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 1dmr_1_A 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 LAGITDGGAA TKGPEWLAAS GASVIPVARV DATA SEQUENCE VDMLENPGAE FDFNGTRSKF PDVKMAYWVG GNPFVHHQDR NRMVKAWEKL DATA SEQUENCE ETFVVHDFQW TPTARHADIV LPATTSYERN DIETIGDYSN TGILAMKKIV DATA SEQUENCE EPLYEARSDY DIFAAVAERL GKGAEFTEGK DEMGWIKSFY DDAAKQGKAA DATA SEQUENCE GVQMPAFDAF 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 0.000 176.873 176.870 0.005 0.000 1.165 3 L CA 0.000 54.842 54.840 0.004 0.000 0.813 3 L CB 0.000 42.060 42.059 0.001 0.000 0.961 4 A N 2.403 125.228 122.820 0.009 0.000 2.425 4 A HA 0.612 4.930 4.320 -0.004 0.000 0.249 4 A C -0.485 177.105 177.584 0.010 0.000 1.084 4 A CA -0.140 51.903 52.037 0.010 0.000 0.781 4 A CB 0.138 19.148 19.000 0.016 0.000 1.019 4 A HN 0.673 nan 8.150 nan 0.000 0.490 5 N N 0.570 119.274 118.700 0.007 0.000 2.352 5 N HA 0.672 5.410 4.740 -0.004 0.000 0.291 5 N C -0.085 175.428 175.510 0.005 0.000 1.040 5 N CA 0.457 53.510 53.050 0.006 0.000 0.864 5 N CB 2.203 40.691 38.487 0.001 0.000 1.440 5 N HN 1.142 nan 8.380 nan 0.000 0.483 6 G N 0.014 108.819 108.800 0.009 0.000 2.333 6 G HA2 0.269 4.227 3.960 -0.004 0.000 0.288 6 G HA3 0.269 4.227 3.960 -0.004 0.000 0.288 6 G C -1.501 173.404 174.900 0.008 0.000 1.286 6 G CA -0.569 44.533 45.100 0.003 0.000 0.865 6 G HN 0.524 nan 8.290 nan 0.000 0.506 7 T N -2.590 111.961 114.554 -0.005 0.000 2.893 7 T HA 0.794 5.142 4.350 -0.004 0.000 0.291 7 T C -0.978 173.699 174.700 -0.038 0.000 1.028 7 T CA -0.755 61.341 62.100 -0.006 0.000 0.995 7 T CB 2.005 70.868 68.868 -0.008 0.000 1.051 7 T HN 1.388 nan 8.240 nan 0.000 0.470 8 V N 2.980 122.863 119.914 -0.051 0.000 2.808 8 V HA 0.545 4.663 4.120 -0.004 0.000 0.308 8 V C -0.423 175.553 176.094 -0.198 0.000 1.099 8 V CA -0.987 61.244 62.300 -0.115 0.000 0.920 8 V CB 2.030 33.803 31.823 -0.084 0.000 1.014 8 V HN 1.133 nan 8.190 nan 0.000 0.425 9 M N 3.307 122.729 119.600 -0.297 0.000 2.264 9 M HA 0.746 5.224 4.480 -0.004 0.000 0.352 9 M C -0.177 175.776 176.300 -0.579 0.000 1.173 9 M CA 0.567 55.603 55.300 -0.440 0.000 1.075 9 M CB 1.523 33.876 32.600 -0.412 0.000 1.621 9 M HN 0.834 nan 8.290 nan 0.000 0.457 10 S N 2.192 117.356 115.700 -0.892 0.000 2.843 10 S HA 0.980 5.447 4.470 -0.004 0.000 0.301 10 S C -0.879 173.103 174.600 -1.030 0.000 1.206 10 S CA -0.244 57.463 58.200 -0.821 0.000 0.875 10 S CB 1.741 64.616 63.200 -0.541 0.000 1.248 10 S HN 0.998 nan 8.310 nan 0.000 0.555 11 G N 0.241 108.709 108.800 -0.552 0.000 2.687 11 G HA2 0.724 4.681 3.960 -0.004 0.000 0.291 11 G HA3 0.724 4.681 3.960 -0.004 0.000 0.291 11 G C -1.039 173.993 174.900 0.220 0.000 1.420 11 G CA 0.184 45.153 45.100 -0.219 0.000 0.796 11 G HN 1.568 nan 8.290 nan 0.000 0.485 12 S N -2.327 113.554 115.700 0.302 0.000 2.703 12 S HA 0.364 4.832 4.470 -0.004 0.000 0.273 12 S C 0.184 174.943 174.600 0.266 0.000 1.178 12 S CA -0.567 57.877 58.200 0.407 0.000 0.838 12 S CB 1.033 64.727 63.200 0.823 0.000 1.178 12 S HN 0.552 nan 8.310 nan 0.000 0.494 13 H N -0.167 119.034 119.070 0.218 0.000 2.518 13 H HA 0.044 4.598 4.556 -0.004 0.000 0.289 13 H C 0.550 175.805 175.328 -0.121 0.000 1.051 13 H CA 1.477 57.470 56.048 -0.091 0.000 1.280 13 H CB 0.031 29.545 29.762 -0.413 0.000 1.380 13 H HN 0.578 nan 8.280 nan 0.000 0.566 14 W N 0.668 122.169 121.300 0.336 0.000 3.211 14 W HA 0.338 4.996 4.660 -0.004 0.000 0.292 14 W C 0.654 177.362 176.519 0.314 0.000 1.268 14 W CA 0.844 58.374 57.345 0.308 0.000 1.702 14 W CB 0.935 30.551 29.460 0.261 0.000 1.092 14 W HN 0.196 nan 8.180 nan 0.000 0.643 15 G N -0.088 108.969 108.800 0.428 0.000 2.359 15 G HA2 0.027 3.984 3.960 -0.004 0.000 0.303 15 G HA3 0.027 3.984 3.960 -0.004 0.000 0.303 15 G C -1.536 173.534 174.900 0.283 0.000 1.293 15 G CA -1.195 44.083 45.100 0.296 0.000 0.964 15 G HN -0.222 nan 8.290 nan 0.000 0.531 16 V N 0.739 120.749 119.914 0.160 0.000 2.607 16 V HA 0.791 4.908 4.120 -0.004 0.000 0.289 16 V C 0.304 176.455 176.094 0.095 0.000 1.053 16 V CA 0.508 62.752 62.300 -0.094 0.000 0.996 16 V CB 0.392 31.937 31.823 -0.463 0.000 0.995 16 V HN 1.289 nan 8.190 nan 0.000 0.476 17 F N 0.761 120.630 119.950 -0.135 0.000 2.711 17 F HA 0.775 5.300 4.527 -0.004 0.000 0.313 17 F C -0.568 175.114 175.800 -0.196 0.000 1.141 17 F CA -0.916 57.016 58.000 -0.114 0.000 0.941 17 F CB 1.656 40.545 39.000 -0.185 0.000 1.349 17 F HN 0.241 nan 8.300 nan 0.000 0.464 18 T N 1.656 116.277 114.554 0.112 0.000 2.792 18 T HA 0.759 5.107 4.350 -0.004 0.000 0.280 18 T C -0.438 174.359 174.700 0.162 0.000 0.990 18 T CA -0.430 61.679 62.100 0.014 0.000 0.960 18 T CB 1.329 70.210 68.868 0.021 0.000 0.939 18 T HN 0.926 nan 8.240 nan 0.000 0.439 19 A N 2.850 125.736 122.820 0.110 0.000 2.306 19 A HA 0.697 5.015 4.320 -0.004 0.000 0.314 19 A C 0.389 178.062 177.584 0.149 0.000 1.164 19 A CA -0.606 51.567 52.037 0.226 0.000 0.822 19 A CB 0.457 19.611 19.000 0.258 0.000 1.130 19 A HN 0.696 nan 8.150 nan 0.000 0.496 20 T N 1.728 116.379 114.554 0.161 0.000 2.799 20 T HA 0.498 4.845 4.350 -0.004 0.000 0.286 20 T C -0.384 174.369 174.700 0.088 0.000 0.973 20 T CA -0.134 62.020 62.100 0.090 0.000 1.035 20 T CB 0.879 69.785 68.868 0.063 0.000 0.932 20 T HN 0.413 nan 8.240 nan 0.000 0.469 21 V N 4.150 124.100 119.914 0.061 0.000 2.487 21 V HA 0.434 4.551 4.120 -0.004 0.000 0.298 21 V C -0.245 175.865 176.094 0.027 0.000 1.028 21 V CA -0.779 61.555 62.300 0.056 0.000 0.860 21 V CB 1.776 33.634 31.823 0.059 0.000 0.991 21 V HN 0.868 nan 8.190 nan 0.000 0.427 22 E N 4.280 124.488 120.200 0.013 0.000 2.216 22 E HA 0.412 4.759 4.350 -0.004 0.000 0.260 22 E C -0.505 176.089 176.600 -0.010 0.000 0.880 22 E CA -0.667 55.730 56.400 -0.004 0.000 0.765 22 E CB 1.114 30.804 29.700 -0.017 0.000 1.174 22 E HN 0.668 nan 8.360 nan 0.000 0.417 23 N N 2.309 121.006 118.700 -0.006 0.000 2.727 23 N HA -0.227 4.511 4.740 -0.004 0.000 0.249 23 N C 0.644 176.152 175.510 -0.003 0.000 1.048 23 N CA 1.314 54.359 53.050 -0.008 0.000 0.714 23 N CB -1.019 37.458 38.487 -0.018 0.000 0.959 23 N HN 1.071 nan 8.380 nan 0.000 0.544 24 G N -0.552 108.254 108.800 0.011 0.000 2.162 24 G HA2 -0.370 3.587 3.960 -0.004 0.000 0.260 24 G HA3 -0.370 3.587 3.960 -0.004 0.000 0.260 24 G C 0.049 174.977 174.900 0.046 0.000 0.976 24 G CA 0.835 45.951 45.100 0.026 0.000 0.655 24 G HN 0.764 nan 8.290 nan 0.000 0.533 25 R N 0.190 120.708 120.500 0.029 0.000 2.562 25 R HA 0.722 5.060 4.340 -0.004 0.000 0.298 25 R C 0.365 176.704 176.300 0.066 0.000 0.961 25 R CA -0.086 56.036 56.100 0.037 0.000 0.881 25 R CB 1.130 31.362 30.300 -0.112 0.000 1.159 25 R HN 0.657 nan 8.270 nan 0.000 0.450 26 A N 2.280 125.211 122.820 0.185 0.000 2.409 26 A HA 0.218 4.536 4.320 -0.004 0.000 0.267 26 A C 0.781 178.389 177.584 0.039 0.000 1.127 26 A CA 0.001 52.139 52.037 0.168 0.000 0.795 26 A CB 0.453 19.617 19.000 0.273 0.000 1.061 26 A HN 0.943 nan 8.150 nan 0.000 0.502 27 T N -1.114 113.446 114.554 0.009 0.000 2.975 27 T HA 0.589 4.937 4.350 -0.004 0.000 0.257 27 T C 0.313 174.974 174.700 -0.065 0.000 1.003 27 T CA 0.618 62.683 62.100 -0.059 0.000 0.932 27 T CB 0.085 68.922 68.868 -0.051 0.000 1.087 27 T HN 1.863 nan 8.240 nan 0.000 0.512 28 A N 0.778 123.593 122.820 -0.009 0.000 2.594 28 A HA 0.637 4.955 4.320 -0.004 0.000 0.296 28 A C -2.073 175.634 177.584 0.204 0.000 1.061 28 A CA -0.767 51.270 52.037 -0.000 0.000 0.689 28 A CB 0.901 19.912 19.000 0.018 0.000 1.280 28 A HN 0.146 nan 8.150 nan 0.000 0.406 29 F N 1.391 121.267 119.950 -0.123 0.000 2.427 29 F HA 0.607 5.132 4.527 -0.004 0.000 0.348 29 F C 0.394 176.166 175.800 -0.046 0.000 1.125 29 F CA -0.750 57.161 58.000 -0.148 0.000 0.989 29 F CB 2.069 40.764 39.000 -0.508 0.000 1.165 29 F HN 0.450 nan 8.300 nan 0.000 0.442 30 T N 5.732 120.418 114.554 0.220 0.000 2.794 30 T HA 0.423 4.771 4.350 -0.004 0.000 0.280 30 T C -2.550 172.269 174.700 0.198 0.000 0.987 30 T CA -1.590 60.602 62.100 0.155 0.000 0.993 30 T CB 1.739 70.675 68.868 0.114 0.000 0.939 30 T HN 0.119 nan 8.240 nan 0.000 0.449 31 P HA 0.011 nan 4.420 nan 0.000 0.267 31 P C -0.384 177.071 177.300 0.258 0.000 1.200 31 P CA -0.638 62.599 63.100 0.228 0.000 0.772 31 P CB 0.447 32.242 31.700 0.159 0.000 0.855 32 W N 4.032 125.378 121.300 0.077 0.000 2.257 32 W HA -0.011 4.647 4.660 -0.003 0.000 0.337 32 W C 1.544 178.077 176.519 0.025 0.000 1.321 32 W CA -0.311 57.050 57.345 0.027 0.000 1.267 32 W CB -0.134 29.336 29.460 0.017 0.000 1.187 32 W HN 0.641 nan 8.180 nan 0.000 0.565 33 E N 3.010 123.215 120.200 0.008 0.000 2.265 33 E HA -0.232 4.116 4.350 -0.004 0.000 0.196 33 E C 0.983 177.350 176.600 -0.390 0.000 0.996 33 E CA 1.538 57.846 56.400 -0.153 0.000 0.832 33 E CB -0.088 29.557 29.700 -0.091 0.000 0.756 33 E HN 0.575 nan 8.360 nan 0.000 0.491 34 K N 0.797 120.640 120.400 -0.928 0.000 2.404 34 K HA 0.046 4.364 4.320 -0.004 0.000 0.194 34 K C 0.081 176.248 176.600 -0.721 0.000 1.023 34 K CA 0.019 55.724 56.287 -0.971 0.000 1.094 34 K CB 0.247 31.881 32.500 -1.444 0.000 0.841 34 K HN 0.072 nan 8.250 nan 0.000 0.523 35 D N 2.028 122.194 120.400 -0.389 0.000 2.343 35 D HA 0.027 4.665 4.640 -0.004 0.000 0.255 35 D C -1.416 174.886 176.300 0.004 0.000 1.187 35 D CA -2.074 51.927 54.000 0.002 0.000 0.875 35 D CB 1.432 42.394 40.800 0.270 0.000 1.136 35 D HN -0.035 nan 8.370 nan 0.000 0.469 36 P HA -0.068 nan 4.420 nan 0.000 0.226 36 P C -0.187 177.136 177.300 0.038 0.000 1.153 36 P CA 0.761 63.886 63.100 0.040 0.000 0.777 36 P CB 0.285 32.038 31.700 0.087 0.000 0.794 37 H N -1.294 117.712 119.070 -0.106 0.000 2.888 37 H HA 0.317 4.871 4.556 -0.004 0.000 0.280 37 H C -2.786 172.248 175.328 -0.490 0.000 1.431 37 H CA -1.586 54.233 56.048 -0.382 0.000 1.573 37 H CB 0.552 29.825 29.762 -0.816 0.000 1.924 37 H HN -0.127 nan 8.280 nan 0.000 0.645 38 P HA -0.013 nan 4.420 nan 0.000 0.268 38 P C -0.248 176.959 177.300 -0.154 0.000 1.208 38 P CA 0.019 63.069 63.100 -0.083 0.000 0.777 38 P CB 1.057 32.754 31.700 -0.006 0.000 0.875 39 S N 2.158 117.859 115.700 0.002 0.000 2.525 39 S HA 0.338 4.806 4.470 -0.004 0.000 0.278 39 S C -1.561 173.077 174.600 0.063 0.000 1.234 39 S CA -1.595 56.641 58.200 0.060 0.000 1.058 39 S CB -0.021 63.338 63.200 0.265 0.000 0.983 39 S HN 0.211 nan 8.310 nan 0.000 0.495 40 P HA -0.001 nan 4.420 nan 0.000 0.225 40 P C 1.058 178.369 177.300 0.018 0.000 1.148 40 P CA 1.034 64.157 63.100 0.039 0.000 0.779 40 P CB 0.036 31.783 31.700 0.078 0.000 0.780 41 M N -1.634 117.983 119.600 0.029 0.000 2.557 41 M HA -0.043 4.435 4.480 -0.004 0.000 0.259 41 M C 1.831 177.952 176.300 -0.299 0.000 1.086 41 M CA 0.878 56.118 55.300 -0.100 0.000 1.096 41 M CB -0.592 31.975 32.600 -0.055 0.000 1.424 41 M HN -0.017 nan 8.290 nan 0.000 0.488 42 L N 0.077 121.186 121.223 -0.191 0.000 2.081 42 L HA -0.263 4.075 4.340 -0.004 0.000 0.212 42 L C 2.741 179.443 176.870 -0.280 0.000 1.080 42 L CA 1.491 56.201 54.840 -0.215 0.000 0.754 42 L CB -0.667 41.364 42.059 -0.047 0.000 0.893 42 L HN 0.345 nan 8.230 nan 0.000 0.433 43 A N -0.154 122.531 122.820 -0.225 0.000 1.940 43 A HA -0.169 4.149 4.320 -0.004 0.000 0.219 43 A C 2.321 179.719 177.584 -0.310 0.000 1.176 43 A CA 1.778 53.661 52.037 -0.257 0.000 0.631 43 A CB -1.094 17.806 19.000 -0.166 0.000 0.814 43 A HN 0.492 nan 8.150 nan 0.000 0.446 44 G N -0.751 107.878 108.800 -0.285 0.000 2.421 44 G HA2 -0.019 3.939 3.960 -0.004 0.000 0.217 44 G HA3 -0.019 3.939 3.960 -0.004 0.000 0.217 44 G C 1.445 176.148 174.900 -0.328 0.000 1.143 44 G CA 1.084 46.026 45.100 -0.263 0.000 0.784 44 G HN 0.323 nan 8.290 nan 0.000 0.541 45 V N 0.960 120.586 119.914 -0.480 0.000 2.295 45 V HA -0.156 3.962 4.120 -0.004 0.000 0.246 45 V C 2.653 178.471 176.094 -0.460 0.000 1.049 45 V CA 1.640 63.667 62.300 -0.456 0.000 1.024 45 V CB -0.591 30.929 31.823 -0.505 0.000 0.648 45 V HN 0.377 nan 8.190 nan 0.000 0.447 46 L N 0.975 121.706 121.223 -0.820 0.000 2.012 46 L HA -0.200 4.138 4.340 -0.004 0.000 0.210 46 L C 2.074 178.685 176.870 -0.431 0.000 1.073 46 L CA 2.564 56.765 54.840 -1.066 0.000 0.748 46 L CB -1.023 40.224 42.059 -1.354 0.000 0.891 46 L HN 0.398 nan 8.230 nan 0.000 0.431 47 D N -1.059 119.162 120.400 -0.298 0.000 2.178 47 D HA -0.196 4.442 4.640 -0.004 0.000 0.201 47 D C 2.318 178.599 176.300 -0.031 0.000 0.980 47 D CA 1.257 55.191 54.000 -0.109 0.000 0.842 47 D CB -0.047 40.680 40.800 -0.122 0.000 0.948 47 D HN 0.605 nan 8.370 nan 0.000 0.472 48 S N -0.609 115.066 115.700 -0.041 0.000 2.442 48 S HA -0.137 4.331 4.470 -0.004 0.000 0.236 48 S C 2.114 176.764 174.600 0.083 0.000 1.007 48 S CA 0.528 58.789 58.200 0.102 0.000 0.965 48 S CB -0.656 62.679 63.200 0.225 0.000 0.773 48 S HN 0.382 nan 8.310 nan 0.000 0.504 49 I N -0.639 119.862 120.570 -0.116 0.000 2.315 49 I HA -0.103 4.065 4.170 -0.004 0.000 0.248 49 I C 1.488 177.372 176.117 -0.389 0.000 1.117 49 I CA 1.293 62.380 61.300 -0.355 0.000 1.404 49 I CB -0.196 37.394 38.000 -0.684 0.000 1.071 49 I HN 0.308 nan 8.210 nan 0.000 0.419 50 Y N -0.248 120.076 120.300 0.039 0.000 2.500 50 Y HA 0.211 4.759 4.550 -0.004 0.000 0.246 50 Y C 1.616 177.569 175.900 0.089 0.000 1.146 50 Y CA -0.627 57.511 58.100 0.063 0.000 1.230 50 Y CB -0.213 38.245 38.460 -0.005 0.000 1.214 50 Y HN -0.016 nan 8.280 nan 0.000 0.526 51 S N 0.980 116.802 115.700 0.204 0.000 2.587 51 S HA 0.055 4.523 4.470 -0.004 0.000 0.260 51 S C -1.598 173.109 174.600 0.179 0.000 1.353 51 S CA -0.848 57.447 58.200 0.158 0.000 0.995 51 S CB 0.869 64.140 63.200 0.119 0.000 0.912 51 S HN -0.029 nan 8.310 nan 0.000 0.568 52 P HA -0.001 nan 4.420 nan 0.000 0.222 52 P C 1.019 178.436 177.300 0.194 0.000 1.147 52 P CA 1.216 64.401 63.100 0.142 0.000 0.790 52 P CB -0.409 31.354 31.700 0.105 0.000 0.780 53 T N -4.080 110.636 114.554 0.270 0.000 3.188 53 T HA 0.178 4.526 4.350 -0.004 0.000 0.250 53 T C 0.705 175.627 174.700 0.369 0.000 1.077 53 T CA -0.458 61.883 62.100 0.401 0.000 0.967 53 T CB -0.391 68.804 68.868 0.545 0.000 1.006 53 T HN -0.124 nan 8.240 nan 0.000 0.552 54 R N 2.027 122.683 120.500 0.260 0.000 2.489 54 R HA 0.279 4.617 4.340 -0.004 0.000 0.287 54 R C -0.308 176.025 176.300 0.054 0.000 1.053 54 R CA -0.518 55.694 56.100 0.188 0.000 1.036 54 R CB -0.400 30.037 30.300 0.227 0.000 0.966 54 R HN 0.401 nan 8.270 nan 0.000 0.432 55 I N 6.330 126.821 120.570 -0.132 0.000 2.379 55 I HA 0.025 4.193 4.170 -0.004 0.000 0.290 55 I C 1.069 177.024 176.117 -0.271 0.000 1.063 55 I CA -0.004 61.083 61.300 -0.356 0.000 1.351 55 I CB 1.167 38.744 38.000 -0.704 0.000 1.410 55 I HN 0.707 nan 8.210 nan 0.000 0.505 56 K N 5.187 125.324 120.400 -0.439 0.000 2.067 56 K HA 0.055 4.373 4.320 -0.004 0.000 0.203 56 K C -0.472 175.724 176.600 -0.673 0.000 1.048 56 K CA 1.108 56.893 56.287 -0.836 0.000 0.954 56 K CB 0.175 31.681 32.500 -1.656 0.000 0.737 56 K HN 0.391 nan 8.250 nan 0.000 0.444 57 Y N -0.250 119.979 120.300 -0.118 0.000 2.576 57 Y HA 0.319 4.867 4.550 -0.004 0.000 0.346 57 Y C -2.581 173.119 175.900 -0.333 0.000 1.018 57 Y CA -3.784 54.203 58.100 -0.188 0.000 1.050 57 Y CB 0.434 38.812 38.460 -0.137 0.000 1.280 57 Y HN -0.111 nan 8.280 nan 0.000 0.474 58 P HA 0.199 nan 4.420 nan 0.000 0.271 58 P C -0.744 176.400 177.300 -0.259 0.000 1.220 58 P CA 0.296 63.072 63.100 -0.539 0.000 0.768 58 P CB 0.497 31.634 31.700 -0.938 0.000 0.848 59 M N 2.166 121.643 119.600 -0.205 0.000 2.572 59 M HA 0.472 4.949 4.480 -0.004 0.000 0.299 59 M C -0.881 175.440 176.300 0.034 0.000 1.205 59 M CA -1.050 54.214 55.300 -0.061 0.000 0.876 59 M CB 2.191 34.731 32.600 -0.100 0.000 1.728 59 M HN -0.042 nan 8.290 nan 0.000 0.458 60 V N 1.287 121.310 119.914 0.181 0.000 2.656 60 V HA 0.487 4.604 4.120 -0.004 0.000 0.307 60 V C 0.065 176.370 176.094 0.351 0.000 1.051 60 V CA -0.933 61.510 62.300 0.238 0.000 0.893 60 V CB 2.254 34.189 31.823 0.186 0.000 0.999 60 V HN 0.860 nan 8.190 nan 0.000 0.426 61 R N 2.583 123.263 120.500 0.300 0.000 2.484 61 R HA 0.107 4.445 4.340 -0.004 0.000 0.293 61 R C 1.586 177.926 176.300 0.067 0.000 1.023 61 R CA 0.104 56.211 56.100 0.012 0.000 1.037 61 R CB 0.301 30.567 30.300 -0.057 0.000 0.951 61 R HN 0.736 nan 8.270 nan 0.000 0.418 62 R N 3.011 123.497 120.500 -0.023 0.000 2.096 62 R HA -0.248 4.090 4.340 -0.004 0.000 0.240 62 R C 1.040 177.356 176.300 0.026 0.000 1.139 62 R CA 2.425 58.531 56.100 0.009 0.000 0.952 62 R CB 0.030 30.310 30.300 -0.033 0.000 0.854 62 R HN 0.697 nan 8.270 nan 0.000 0.436 63 E N -0.304 119.903 120.200 0.013 0.000 2.085 63 E HA -0.205 4.143 4.350 -0.004 0.000 0.194 63 E C 1.539 178.186 176.600 0.078 0.000 0.994 63 E CA 1.537 57.956 56.400 0.031 0.000 0.801 63 E CB -0.352 29.363 29.700 0.025 0.000 0.743 63 E HN 0.369 nan 8.360 nan 0.000 0.453 64 F N 0.435 120.383 119.950 -0.004 0.000 2.146 64 F HA -0.077 4.448 4.527 -0.004 0.000 0.298 64 F C 1.927 177.743 175.800 0.025 0.000 1.096 64 F CA 0.995 59.010 58.000 0.024 0.000 1.275 64 F CB -0.074 38.953 39.000 0.045 0.000 1.008 64 F HN -0.000 nan 8.300 nan 0.000 0.480 65 L N 0.043 121.349 121.223 0.138 0.000 2.042 65 L HA -0.239 4.099 4.340 -0.004 0.000 0.210 65 L C 2.182 179.021 176.870 -0.052 0.000 1.076 65 L CA 2.045 56.914 54.840 0.049 0.000 0.749 65 L CB -0.443 41.667 42.059 0.086 0.000 0.893 65 L HN 0.256 nan 8.230 nan 0.000 0.432 66 E N -0.716 119.460 120.200 -0.040 0.000 2.122 66 E HA -0.176 4.172 4.350 -0.004 0.000 0.190 66 E C 1.584 178.136 176.600 -0.081 0.000 0.977 66 E CA 0.859 57.230 56.400 -0.049 0.000 0.820 66 E CB 0.231 29.916 29.700 -0.026 0.000 0.770 66 E HN 0.352 nan 8.360 nan 0.000 0.462 67 K N -0.684 119.651 120.400 -0.109 0.000 2.402 67 K HA 0.162 4.480 4.320 -0.004 0.000 0.204 67 K C 0.699 177.185 176.600 -0.189 0.000 1.056 67 K CA 0.330 56.550 56.287 -0.111 0.000 1.069 67 K CB 1.556 34.024 32.500 -0.055 0.000 0.888 67 K HN 0.196 nan 8.250 nan 0.000 0.546 68 G N 1.095 109.653 108.800 -0.402 0.000 2.622 68 G HA2 -0.424 3.534 3.960 -0.004 0.000 0.307 68 G HA3 -0.424 3.534 3.960 -0.004 0.000 0.307 68 G C 1.024 175.755 174.900 -0.282 0.000 1.226 68 G CA 0.965 45.694 45.100 -0.617 0.000 0.997 68 G HN 0.308 nan 8.290 nan 0.000 0.551 69 V N -1.167 118.685 119.914 -0.104 0.000 2.913 69 V HA 0.037 4.155 4.120 -0.004 0.000 0.260 69 V C 1.924 178.039 176.094 0.035 0.000 1.098 69 V CA 2.591 64.914 62.300 0.037 0.000 1.121 69 V CB -0.399 31.464 31.823 0.067 0.000 0.714 69 V HN 0.575 nan 8.190 nan 0.000 0.487 70 N N 1.393 120.090 118.700 -0.005 0.000 2.383 70 N HA 0.318 5.056 4.740 -0.004 0.000 0.192 70 N C 0.829 176.347 175.510 0.013 0.000 1.141 70 N CA 0.764 53.818 53.050 0.006 0.000 0.851 70 N CB 0.354 38.835 38.487 -0.010 0.000 0.976 70 N HN 0.686 nan 8.380 nan 0.000 0.465 71 A N 0.885 123.720 122.820 0.025 0.000 2.466 71 A HA 0.010 4.327 4.320 -0.004 0.000 0.238 71 A C 0.286 177.905 177.584 0.059 0.000 1.074 71 A CA -0.184 51.882 52.037 0.047 0.000 0.774 71 A CB 0.212 19.276 19.000 0.106 0.000 1.015 71 A HN 0.103 nan 8.150 nan 0.000 0.498 72 D N 0.447 120.874 120.400 0.045 0.000 2.338 72 D HA 0.137 4.775 4.640 -0.004 0.000 0.255 72 D C 0.970 177.305 176.300 0.059 0.000 1.237 72 D CA 0.153 54.177 54.000 0.041 0.000 0.883 72 D CB 0.351 41.164 40.800 0.022 0.000 1.087 72 D HN 0.473 nan 8.370 nan 0.000 0.485 73 R N 1.726 122.271 120.500 0.075 0.000 2.297 73 R HA -0.005 4.333 4.340 -0.004 0.000 0.197 73 R C 1.894 178.251 176.300 0.096 0.000 0.943 73 R CA 0.475 56.636 56.100 0.101 0.000 1.038 73 R CB 0.168 30.538 30.300 0.117 0.000 0.957 73 R HN 0.450 nan 8.270 nan 0.000 0.484 74 S N -0.047 115.695 115.700 0.069 0.000 2.489 74 S HA -0.088 4.380 4.470 -0.004 0.000 0.228 74 S C 1.772 176.397 174.600 0.041 0.000 0.995 74 S CA 1.133 59.372 58.200 0.066 0.000 0.934 74 S CB -0.123 63.106 63.200 0.049 0.000 0.771 74 S HN 0.306 nan 8.310 nan 0.000 0.522 75 T N -0.727 113.834 114.554 0.012 0.000 3.107 75 T HA 0.281 4.628 4.350 -0.004 0.000 0.249 75 T C 0.620 175.266 174.700 -0.089 0.000 1.096 75 T CA -0.573 61.502 62.100 -0.041 0.000 1.012 75 T CB -0.389 68.444 68.868 -0.059 0.000 0.977 75 T HN 0.270 nan 8.240 nan 0.000 0.527 76 R N 1.030 121.511 120.500 -0.033 0.000 2.585 76 R HA 0.366 4.704 4.340 -0.004 0.000 0.275 76 R C 1.489 177.593 176.300 -0.326 0.000 1.018 76 R CA 1.144 57.189 56.100 -0.092 0.000 1.072 76 R CB -0.028 30.331 30.300 0.099 0.000 0.953 76 R HN 0.538 nan 8.270 nan 0.000 0.419 77 G N 2.227 110.701 108.800 -0.544 0.000 2.195 77 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.224 77 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.224 77 G C 0.629 175.258 174.900 -0.452 0.000 0.990 77 G CA 0.249 44.837 45.100 -0.853 0.000 0.639 77 G HN 0.725 nan 8.290 nan 0.000 0.514 78 N N 1.316 119.814 118.700 -0.336 0.000 2.515 78 N HA 0.328 5.066 4.740 -0.004 0.000 0.185 78 N C 1.769 177.128 175.510 -0.253 0.000 1.109 78 N CA 1.465 54.366 53.050 -0.248 0.000 0.903 78 N CB -0.469 37.904 38.487 -0.191 0.000 0.969 78 N HN 1.794 nan 8.380 nan 0.000 0.450 79 G N -0.066 108.541 108.800 -0.320 0.000 2.159 79 G HA2 -0.281 3.677 3.960 -0.004 0.000 0.256 79 G HA3 -0.281 3.677 3.960 -0.004 0.000 0.256 79 G C -0.439 174.300 174.900 -0.269 0.000 0.977 79 G CA 0.205 45.166 45.100 -0.232 0.000 0.652 79 G HN 0.591 nan 8.290 nan 0.000 0.531 80 D N 0.558 120.708 120.400 -0.417 0.000 2.517 80 D HA 0.499 5.137 4.640 -0.004 0.000 0.220 80 D C 0.084 176.161 176.300 -0.372 0.000 1.158 80 D CA -0.269 53.556 54.000 -0.291 0.000 0.992 80 D CB -0.590 40.081 40.800 -0.216 0.000 1.058 80 D HN 0.133 nan 8.370 nan 0.000 0.516 81 F N 1.146 121.058 119.950 -0.064 0.000 2.483 81 F HA 0.490 5.015 4.527 -0.004 0.000 0.329 81 F C 0.389 176.180 175.800 -0.015 0.000 1.064 81 F CA -1.007 56.979 58.000 -0.023 0.000 0.986 81 F CB 1.645 40.639 39.000 -0.009 0.000 1.218 81 F HN -0.145 nan 8.300 nan 0.000 0.484 82 V N 2.243 122.297 119.914 0.233 0.000 2.495 82 V HA 0.427 4.545 4.120 -0.004 0.000 0.298 82 V C -0.183 175.965 176.094 0.090 0.000 1.031 82 V CA -1.102 61.267 62.300 0.114 0.000 0.871 82 V CB 1.702 33.570 31.823 0.075 0.000 0.988 82 V HN 0.655 nan 8.190 nan 0.000 0.432 83 R N 3.618 124.137 120.500 0.031 0.000 2.389 83 R HA 0.595 4.933 4.340 -0.004 0.000 0.295 83 R C -0.608 175.660 176.300 -0.053 0.000 1.075 83 R CA -0.139 55.946 56.100 -0.026 0.000 1.005 83 R CB 1.137 31.377 30.300 -0.100 0.000 0.987 83 R HN 0.684 nan 8.270 nan 0.000 0.452 84 V N 0.659 120.525 119.914 -0.080 0.000 3.126 84 V HA 0.606 4.724 4.120 -0.004 0.000 0.314 84 V C -0.148 175.878 176.094 -0.113 0.000 1.138 84 V CA -0.899 61.357 62.300 -0.073 0.000 1.034 84 V CB 1.673 33.472 31.823 -0.040 0.000 1.075 84 V HN 0.923 nan 8.190 nan 0.000 0.442 85 S N -0.003 115.662 115.700 -0.058 0.000 2.603 85 S HA 0.261 4.728 4.470 -0.004 0.000 0.268 85 S C 0.407 175.005 174.600 -0.003 0.000 1.317 85 S CA -0.039 58.148 58.200 -0.021 0.000 1.012 85 S CB 0.537 63.760 63.200 0.038 0.000 0.926 85 S HN 0.888 nan 8.310 nan 0.000 0.539 86 W N 0.638 121.947 121.300 0.015 0.000 2.338 86 W HA -0.076 4.582 4.660 -0.003 0.000 0.304 86 W C 1.918 178.439 176.519 0.004 0.000 1.212 86 W CA 1.196 58.543 57.345 0.004 0.000 1.264 86 W CB -0.210 29.251 29.460 0.001 0.000 1.142 86 W HN 0.729 nan 8.180 nan 0.000 0.512 87 D N -0.451 120.104 120.400 0.258 0.000 2.144 87 D HA -0.196 4.442 4.640 -0.004 0.000 0.199 87 D C 1.937 178.309 176.300 0.120 0.000 0.984 87 D CA 1.437 55.533 54.000 0.160 0.000 0.834 87 D CB -0.520 40.347 40.800 0.111 0.000 0.955 87 D HN 0.354 nan 8.370 nan 0.000 0.465 88 Q N 0.365 120.220 119.800 0.091 0.000 2.050 88 Q HA -0.073 4.265 4.340 -0.004 0.000 0.202 88 Q C 2.254 178.297 176.000 0.071 0.000 0.980 88 Q CA 1.509 57.352 55.803 0.065 0.000 0.840 88 Q CB -0.119 28.642 28.738 0.039 0.000 0.898 88 Q HN 0.210 nan 8.270 nan 0.000 0.424 89 A N 0.730 123.584 122.820 0.056 0.000 1.902 89 A HA -0.160 4.158 4.320 -0.004 0.000 0.217 89 A C 2.071 179.719 177.584 0.107 0.000 1.181 89 A CA 1.173 53.234 52.037 0.041 0.000 0.623 89 A CB -0.691 18.259 19.000 -0.083 0.000 0.818 89 A HN 0.289 nan 8.150 nan 0.000 0.443 90 L N -0.562 120.762 121.223 0.168 0.000 2.093 90 L HA -0.176 4.162 4.340 -0.004 0.000 0.208 90 L C 2.084 179.028 176.870 0.123 0.000 1.085 90 L CA 1.314 56.252 54.840 0.165 0.000 0.755 90 L CB -0.631 41.530 42.059 0.170 0.000 0.904 90 L HN 0.280 nan 8.230 nan 0.000 0.435 91 D N 0.015 120.479 120.400 0.106 0.000 2.117 91 D HA -0.190 4.447 4.640 -0.004 0.000 0.197 91 D C 2.059 178.419 176.300 0.099 0.000 0.987 91 D CA 1.116 55.170 54.000 0.090 0.000 0.829 91 D CB -0.149 40.696 40.800 0.075 0.000 0.961 91 D HN 0.117 nan 8.370 nan 0.000 0.460 92 L N 0.460 121.748 121.223 0.108 0.000 2.027 92 L HA -0.121 4.217 4.340 -0.004 0.000 0.206 92 L C 2.230 179.190 176.870 0.149 0.000 1.074 92 L CA 1.248 56.166 54.840 0.132 0.000 0.745 92 L CB -0.424 41.724 42.059 0.149 0.000 0.898 92 L HN -0.121 nan 8.230 nan 0.000 0.433 93 V N 0.032 120.029 119.914 0.139 0.000 2.295 93 V HA -0.295 3.823 4.120 -0.004 0.000 0.246 93 V C 2.791 178.993 176.094 0.179 0.000 1.049 93 V CA 1.660 64.052 62.300 0.154 0.000 1.024 93 V CB -1.366 30.562 31.823 0.175 0.000 0.648 93 V HN 0.600 nan 8.190 nan 0.000 0.447 94 A N 0.012 122.926 122.820 0.156 0.000 1.908 94 A HA -0.153 4.165 4.320 -0.004 0.000 0.218 94 A C 2.428 180.087 177.584 0.124 0.000 1.181 94 A CA 2.225 54.343 52.037 0.136 0.000 0.627 94 A CB -0.837 18.224 19.000 0.102 0.000 0.818 94 A HN 0.586 nan 8.150 nan 0.000 0.445 95 A N -0.701 122.188 122.820 0.115 0.000 1.902 95 A HA -0.148 4.170 4.320 -0.004 0.000 0.217 95 A C 1.990 179.647 177.584 0.122 0.000 1.181 95 A CA 1.721 53.820 52.037 0.103 0.000 0.623 95 A CB -0.392 18.663 19.000 0.091 0.000 0.818 95 A HN 0.459 nan 8.150 nan 0.000 0.443 96 E N -0.202 120.092 120.200 0.156 0.000 2.072 96 E HA -0.088 4.260 4.350 -0.004 0.000 0.191 96 E C 2.246 178.955 176.600 0.182 0.000 0.985 96 E CA 1.171 57.681 56.400 0.184 0.000 0.801 96 E CB -0.528 29.309 29.700 0.228 0.000 0.750 96 E HN 0.370 nan 8.360 nan 0.000 0.452 97 V N 1.487 121.513 119.914 0.186 0.000 2.295 97 V HA -0.261 3.857 4.120 -0.004 0.000 0.246 97 V C 2.455 178.639 176.094 0.151 0.000 1.049 97 V CA 1.891 64.306 62.300 0.192 0.000 1.024 97 V CB -0.387 31.562 31.823 0.210 0.000 0.648 97 V HN 0.128 nan 8.190 nan 0.000 0.447 98 K N 0.425 120.899 120.400 0.124 0.000 2.057 98 K HA -0.164 4.153 4.320 -0.004 0.000 0.207 98 K C 2.288 178.937 176.600 0.082 0.000 1.049 98 K CA 1.542 57.884 56.287 0.093 0.000 0.931 98 K CB -0.424 32.122 32.500 0.075 0.000 0.714 98 K HN 0.336 nan 8.250 nan 0.000 0.440 99 R N -0.191 120.363 120.500 0.089 0.000 2.083 99 R HA -0.117 4.221 4.340 -0.004 0.000 0.237 99 R C 1.900 178.245 176.300 0.076 0.000 1.137 99 R CA 1.835 57.976 56.100 0.068 0.000 0.951 99 R CB -0.370 29.980 30.300 0.084 0.000 0.851 99 R HN 0.079 nan 8.270 nan 0.000 0.434 100 V N 1.588 121.597 119.914 0.158 0.000 2.343 100 V HA -0.193 3.925 4.120 -0.004 0.000 0.247 100 V C 2.294 178.507 176.094 0.199 0.000 1.051 100 V CA 1.854 64.309 62.300 0.257 0.000 1.036 100 V CB -0.433 31.562 31.823 0.288 0.000 0.654 100 V HN 0.390 nan 8.190 nan 0.000 0.451 101 E N -0.199 120.086 120.200 0.141 0.000 2.077 101 E HA -0.195 4.152 4.350 -0.004 0.000 0.193 101 E C 2.264 178.893 176.600 0.048 0.000 0.989 101 E CA 1.047 57.510 56.400 0.104 0.000 0.800 101 E CB -0.146 29.612 29.700 0.097 0.000 0.746 101 E HN 0.607 nan 8.360 nan 0.000 0.452 102 E N 0.121 120.333 120.200 0.020 0.000 2.072 102 E HA -0.059 4.289 4.350 -0.004 0.000 0.190 102 E C 2.130 178.678 176.600 -0.087 0.000 0.982 102 E CA 0.945 57.331 56.400 -0.023 0.000 0.803 102 E CB -0.236 29.452 29.700 -0.021 0.000 0.755 102 E HN 0.205 nan 8.360 nan 0.000 0.453 103 T N 0.162 114.617 114.554 -0.166 0.000 2.770 103 T HA -0.085 4.263 4.350 -0.004 0.000 0.263 103 T C 1.253 175.674 174.700 -0.465 0.000 1.039 103 T CA 1.091 62.947 62.100 -0.406 0.000 1.142 103 T CB -0.182 68.265 68.868 -0.702 0.000 0.868 103 T HN 0.165 nan 8.240 nan 0.000 0.435 104 Y N 0.618 120.921 120.300 0.007 0.000 2.445 104 Y HA 0.483 5.031 4.550 -0.004 0.000 0.247 104 Y C 1.507 177.384 175.900 -0.038 0.000 1.129 104 Y CA -0.276 57.819 58.100 -0.007 0.000 1.251 104 Y CB 0.124 38.592 38.460 0.015 0.000 1.176 104 Y HN 0.379 nan 8.280 nan 0.000 0.522 105 G N 1.267 110.112 108.800 0.074 0.000 2.757 105 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.638 105 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.638 105 G C -1.974 172.934 174.900 0.014 0.000 1.344 105 G CA -0.445 44.647 45.100 -0.014 0.000 0.855 105 G HN 0.011 nan 8.290 nan 0.000 0.537 106 P HA -0.012 nan 4.420 nan 0.000 0.222 106 P C 1.155 178.530 177.300 0.125 0.000 1.147 106 P CA 1.699 64.833 63.100 0.056 0.000 0.790 106 P CB -0.010 31.738 31.700 0.081 0.000 0.780 107 E N -0.026 120.125 120.200 -0.082 0.000 2.409 107 E HA -0.029 4.319 4.350 -0.004 0.000 0.198 107 E C 2.177 178.862 176.600 0.142 0.000 1.024 107 E CA 1.163 57.620 56.400 0.095 0.000 0.861 107 E CB -1.226 28.439 29.700 -0.057 0.000 0.788 107 E HN 0.318 nan 8.360 nan 0.000 0.521 108 G N 0.101 108.977 108.800 0.126 0.000 2.712 108 G HA2 0.030 3.988 3.960 -0.004 0.000 0.212 108 G HA3 0.030 3.988 3.960 -0.004 0.000 0.212 108 G C 0.208 175.192 174.900 0.139 0.000 1.142 108 G CA -0.105 45.055 45.100 0.100 0.000 0.789 108 G HN 0.087 nan 8.290 nan 0.000 0.535 109 V N 1.087 121.127 119.914 0.209 0.000 2.384 109 V HA 0.426 4.543 4.120 -0.004 0.000 0.287 109 V C -1.083 175.187 176.094 0.293 0.000 1.020 109 V CA -1.115 61.328 62.300 0.238 0.000 0.850 109 V CB 1.403 33.369 31.823 0.239 0.000 0.987 109 V HN 0.162 nan 8.190 nan 0.000 0.436 110 F N 4.010 124.029 119.950 0.115 0.000 2.404 110 F HA 0.681 5.206 4.527 -0.003 0.000 0.358 110 F C 0.971 176.797 175.800 0.042 0.000 1.120 110 F CA -0.664 57.385 58.000 0.082 0.000 1.144 110 F CB 1.325 40.339 39.000 0.023 0.000 1.133 110 F HN 0.517 nan 8.300 nan 0.000 0.495 111 G N 3.537 111.990 108.800 -0.580 0.000 3.863 111 G HA2 0.196 4.154 3.960 -0.004 0.000 0.290 111 G HA3 0.196 4.154 3.960 -0.004 0.000 0.290 111 G C 1.195 175.574 174.900 -0.868 0.000 1.018 111 G CA 0.208 44.923 45.100 -0.642 0.000 0.824 111 G HN 0.948 nan 8.290 nan 0.000 0.507 112 G N 0.499 108.434 108.800 -1.442 0.000 2.418 112 G HA2 -0.085 3.873 3.960 -0.004 0.000 0.217 112 G HA3 -0.085 3.873 3.960 -0.004 0.000 0.217 112 G C 1.119 175.636 174.900 -0.640 0.000 1.158 112 G CA 1.253 45.812 45.100 -0.901 0.000 0.771 112 G HN 1.019 nan 8.290 nan 0.000 0.545 113 S N -1.221 113.858 115.700 -1.036 0.000 3.477 113 S HA -0.272 4.196 4.470 -0.004 0.000 0.371 113 S C 0.258 174.659 174.600 -0.331 0.000 0.965 113 S CA 0.237 57.709 58.200 -1.213 0.000 1.239 113 S CB -1.736 61.049 63.200 -0.692 0.000 0.918 113 S HN 0.595 nan 8.310 nan 0.000 0.498 114 Y N 0.885 121.212 120.300 0.046 0.000 2.712 114 Y HA 0.412 4.960 4.550 -0.004 0.000 0.333 114 Y C 0.902 177.136 175.900 0.558 0.000 1.225 114 Y CA 1.668 59.988 58.100 0.368 0.000 1.499 114 Y CB 0.305 39.065 38.460 0.499 0.000 1.288 114 Y HN 0.663 nan 8.280 nan 0.000 0.575 115 G N 3.953 112.609 108.800 -0.239 0.000 2.377 115 G HA2 0.006 3.964 3.960 -0.004 0.000 0.297 115 G HA3 0.006 3.964 3.960 -0.004 0.000 0.297 115 G C -1.116 173.844 174.900 0.100 0.000 1.547 115 G CA -0.922 44.237 45.100 0.099 0.000 0.833 115 G HN 0.690 nan 8.290 nan 0.000 0.583 116 W N 1.870 123.233 121.300 0.104 0.000 2.770 116 W HA 0.156 4.815 4.660 -0.003 0.000 0.256 116 W C 2.176 178.769 176.519 0.123 0.000 1.291 116 W CA 1.035 58.473 57.345 0.155 0.000 1.396 116 W CB 0.169 29.727 29.460 0.164 0.000 1.114 116 W HN 1.104 nan 8.180 nan 0.000 0.637 117 K N -0.767 119.814 120.400 0.301 0.000 2.102 117 K HA -0.331 3.987 4.320 -0.004 0.000 0.126 117 K C 0.079 176.865 176.600 0.310 0.000 1.412 117 K CA 1.433 57.859 56.287 0.231 0.000 0.569 117 K CB -1.891 30.657 32.500 0.080 0.000 0.531 117 K HN -0.079 nan 8.250 nan 0.000 0.961 118 S N 1.363 117.110 115.700 0.077 0.000 2.595 118 S HA 0.599 5.067 4.470 -0.004 0.000 0.281 118 S C -2.783 171.561 174.600 -0.427 0.000 1.117 118 S CA -1.055 57.051 58.200 -0.156 0.000 0.873 118 S CB 2.272 65.463 63.200 -0.014 0.000 1.108 118 S HN 0.525 nan 8.310 nan 0.000 0.477 119 P HA 0.560 nan 4.420 nan 0.000 0.273 119 P C -0.288 176.860 177.300 -0.252 0.000 1.250 119 P CA 0.039 62.845 63.100 -0.489 0.000 0.793 119 P CB 0.287 31.721 31.700 -0.443 0.000 1.011 120 G N 0.083 108.768 108.800 -0.191 0.000 2.634 120 G HA2 -0.018 3.940 3.960 -0.004 0.000 0.568 120 G HA3 -0.018 3.940 3.960 -0.004 0.000 0.568 120 G C 0.228 175.070 174.900 -0.096 0.000 1.495 120 G CA -0.710 44.344 45.100 -0.077 0.000 0.903 120 G HN 0.286 nan 8.290 nan 0.000 0.646 121 R N 0.945 121.403 120.500 -0.071 0.000 2.161 121 R HA 0.093 4.431 4.340 -0.004 0.000 0.213 121 R C 2.384 178.566 176.300 -0.196 0.000 1.055 121 R CA 1.182 57.165 56.100 -0.196 0.000 0.996 121 R CB -0.331 29.797 30.300 -0.288 0.000 0.901 121 R HN 0.570 nan 8.270 nan 0.000 0.456 122 L N 0.002 121.208 121.223 -0.029 0.000 2.189 122 L HA 0.091 4.429 4.340 -0.004 0.000 0.199 122 L C 0.909 177.605 176.870 -0.290 0.000 1.074 122 L CA 1.457 56.212 54.840 -0.141 0.000 0.783 122 L CB -0.290 41.629 42.059 -0.234 0.000 0.955 122 L HN 0.076 nan 8.230 nan 0.000 0.460 123 H N 1.407 120.465 119.070 -0.021 0.000 2.768 123 H HA 0.214 4.768 4.556 -0.003 0.000 0.228 123 H C -0.298 175.026 175.328 -0.006 0.000 1.812 123 H CA -0.141 55.913 56.048 0.009 0.000 1.273 123 H CB -0.860 28.903 29.762 0.002 0.000 1.631 123 H HN 0.258 nan 8.280 nan 0.000 0.526 124 N N 1.901 120.619 118.700 0.031 0.000 2.767 124 N HA -0.019 4.718 4.740 -0.004 0.000 0.238 124 N C 1.404 176.934 175.510 0.033 0.000 1.083 124 N CA -0.369 52.669 53.050 -0.020 0.000 0.964 124 N CB -0.047 38.379 38.487 -0.102 0.000 1.252 124 N HN 0.419 nan 8.380 nan 0.000 0.512 125 C N 1.175 120.535 119.300 0.100 0.000 2.413 125 C HA -0.119 4.338 4.460 -0.004 0.000 0.277 125 C C 2.380 177.416 174.990 0.076 0.000 1.265 125 C CA 1.384 60.511 59.018 0.181 0.000 1.752 125 C CB -1.580 26.299 27.740 0.231 0.000 1.998 125 C HN 0.694 nan 8.230 nan 0.000 0.489 126 T N -1.713 112.833 114.554 -0.014 0.000 2.904 126 T HA -0.091 4.257 4.350 -0.004 0.000 0.267 126 T C 1.603 176.181 174.700 -0.204 0.000 1.059 126 T CA 2.076 64.104 62.100 -0.120 0.000 1.137 126 T CB -1.081 67.730 68.868 -0.095 0.000 0.879 126 T HN 0.568 nan 8.240 nan 0.000 0.467 127 T N 2.210 116.672 114.554 -0.153 0.000 2.857 127 T HA 0.199 4.547 4.350 -0.004 0.000 0.266 127 T C 1.851 176.411 174.700 -0.233 0.000 1.048 127 T CA 0.830 62.817 62.100 -0.189 0.000 1.139 127 T CB -0.439 68.334 68.868 -0.158 0.000 0.874 127 T HN 0.293 nan 8.240 nan 0.000 0.455 128 L N 0.571 121.690 121.223 -0.174 0.000 2.093 128 L HA -0.033 4.305 4.340 -0.004 0.000 0.208 128 L C 2.384 178.905 176.870 -0.581 0.000 1.085 128 L CA 0.641 55.389 54.840 -0.153 0.000 0.755 128 L CB -0.554 41.622 42.059 0.194 0.000 0.904 128 L HN 0.234 nan 8.230 nan 0.000 0.435 129 L N 0.084 120.801 121.223 -0.844 0.000 1.994 129 L HA -0.202 4.136 4.340 -0.004 0.000 0.208 129 L C 2.691 179.029 176.870 -0.887 0.000 1.071 129 L CA 1.780 55.820 54.840 -1.334 0.000 0.745 129 L CB -0.447 41.104 42.059 -0.847 0.000 0.892 129 L HN 0.071 nan 8.230 nan 0.000 0.431 130 R N -0.893 119.205 120.500 -0.671 0.000 2.148 130 R HA -0.125 4.213 4.340 -0.004 0.000 0.227 130 R C 2.441 178.522 176.300 -0.366 0.000 1.103 130 R CA 1.196 56.885 56.100 -0.685 0.000 0.983 130 R CB -0.360 29.576 30.300 -0.607 0.000 0.874 130 R HN 0.411 nan 8.270 nan 0.000 0.451 131 R N 0.615 120.947 120.500 -0.280 0.000 2.081 131 R HA -0.111 4.227 4.340 -0.004 0.000 0.235 131 R C 2.291 178.581 176.300 -0.017 0.000 1.131 131 R CA 1.383 57.403 56.100 -0.133 0.000 0.960 131 R CB -0.103 30.074 30.300 -0.205 0.000 0.856 131 R HN 0.133 nan 8.270 nan 0.000 0.436 132 M N 0.718 120.270 119.600 -0.079 0.000 2.099 132 M HA -0.128 4.350 4.480 -0.004 0.000 0.262 132 M C 1.923 178.164 176.300 -0.098 0.000 1.067 132 M CA 1.621 56.872 55.300 -0.082 0.000 1.124 132 M CB -0.336 32.063 32.600 -0.334 0.000 1.353 132 M HN 0.268 nan 8.290 nan 0.000 0.410 133 L N -0.471 120.626 121.223 -0.210 0.000 2.131 133 L HA -0.188 4.150 4.340 -0.004 0.000 0.210 133 L C 2.257 179.204 176.870 0.128 0.000 1.092 133 L CA 1.344 56.143 54.840 -0.069 0.000 0.759 133 L CB -1.052 40.889 42.059 -0.198 0.000 0.903 133 L HN 0.301 nan 8.230 nan 0.000 0.435 134 T N 0.392 115.028 114.554 0.136 0.000 2.746 134 T HA -0.166 4.182 4.350 -0.004 0.000 0.267 134 T C 1.946 176.713 174.700 0.111 0.000 1.039 134 T CA 1.268 63.475 62.100 0.178 0.000 1.142 134 T CB -0.222 68.729 68.868 0.138 0.000 0.866 134 T HN 0.219 nan 8.240 nan 0.000 0.444 135 L N 0.625 121.900 121.223 0.086 0.000 2.201 135 L HA 0.000 4.338 4.340 -0.004 0.000 0.212 135 L C 2.831 179.746 176.870 0.075 0.000 1.105 135 L CA 0.914 55.803 54.840 0.081 0.000 0.775 135 L CB -0.513 41.604 42.059 0.097 0.000 0.913 135 L HN 0.227 nan 8.230 nan 0.000 0.440 136 A N -0.770 122.096 122.820 0.077 0.000 2.167 136 A HA 0.241 4.559 4.320 -0.004 0.000 0.214 136 A C 1.796 179.434 177.584 0.091 0.000 1.151 136 A CA 1.144 53.230 52.037 0.081 0.000 0.735 136 A CB -0.195 18.857 19.000 0.086 0.000 0.802 136 A HN 0.515 nan 8.150 nan 0.000 0.467 137 G N -3.548 105.313 108.800 0.102 0.000 2.485 137 G HA2 0.442 4.400 3.960 -0.004 0.000 0.181 137 G HA3 0.442 4.400 3.960 -0.004 0.000 0.181 137 G C 0.944 175.918 174.900 0.123 0.000 0.999 137 G CA 0.381 45.538 45.100 0.095 0.000 0.721 137 G HN 2.226 nan 8.290 nan 0.000 0.486 138 G N -1.005 107.902 108.800 0.178 0.000 2.371 138 G HA2 0.634 4.591 3.960 -0.004 0.000 0.663 138 G HA3 0.634 4.591 3.960 -0.004 0.000 0.663 138 G C -0.745 174.331 174.900 0.293 0.000 1.311 138 G CA 0.070 45.281 45.100 0.185 0.000 0.985 138 G HN 2.024 nan 8.290 nan 0.000 0.566 139 Y N -3.570 116.843 120.300 0.187 0.000 2.702 139 Y HA 0.683 5.231 4.550 -0.004 0.000 0.336 139 Y C -0.592 175.395 175.900 0.145 0.000 1.203 139 Y CA -1.501 56.682 58.100 0.139 0.000 1.072 139 Y CB 0.672 39.120 38.460 -0.019 0.000 1.327 139 Y HN 0.863 nan 8.280 nan 0.000 0.456 140 V N 2.935 123.016 119.914 0.278 0.000 2.465 140 V HA 0.344 4.462 4.120 -0.004 0.000 0.279 140 V C -0.266 175.887 176.094 0.099 0.000 1.045 140 V CA -0.316 62.099 62.300 0.193 0.000 0.938 140 V CB 0.973 33.040 31.823 0.408 0.000 0.986 140 V HN 0.793 nan 8.190 nan 0.000 0.467 141 N N 2.297 121.000 118.700 0.005 0.000 2.563 141 N HA 0.669 5.407 4.740 -0.004 0.000 0.288 141 N C -0.112 175.413 175.510 0.025 0.000 1.246 141 N CA -0.045 52.984 53.050 -0.034 0.000 0.946 141 N CB 2.133 40.628 38.487 0.013 0.000 1.213 141 N HN 0.762 nan 8.380 nan 0.000 0.578 142 G N -1.296 107.505 108.800 0.002 0.000 2.453 142 G HA2 0.735 4.693 3.960 -0.004 0.000 0.323 142 G HA3 0.735 4.693 3.960 -0.004 0.000 0.323 142 G C -1.457 173.453 174.900 0.018 0.000 1.198 142 G CA -0.445 44.716 45.100 0.102 0.000 0.959 142 G HN 0.602 nan 8.290 nan 0.000 0.482 143 A N -0.114 122.685 122.820 -0.034 0.000 2.374 143 A HA 1.002 5.320 4.320 -0.004 0.000 0.317 143 A C 0.673 178.223 177.584 -0.056 0.000 1.094 143 A CA 0.430 52.426 52.037 -0.070 0.000 0.765 143 A CB 1.148 20.049 19.000 -0.164 0.000 1.268 143 A HN 2.665 nan 8.150 nan 0.000 0.438 144 G N 1.159 109.952 108.800 -0.011 0.000 2.642 144 G HA2 0.274 4.232 3.960 -0.004 0.000 0.231 144 G HA3 0.274 4.232 3.960 -0.004 0.000 0.231 144 G C -0.587 174.336 174.900 0.038 0.000 1.338 144 G CA 0.809 45.913 45.100 0.007 0.000 0.883 144 G HN 2.211 nan 8.290 nan 0.000 0.570 145 D N -3.593 116.809 120.400 0.004 0.000 2.677 145 D HA 0.529 5.167 4.640 -0.004 0.000 0.298 145 D C 0.091 176.327 176.300 -0.106 0.000 1.250 145 D CA -0.757 53.285 54.000 0.069 0.000 0.888 145 D CB 0.123 41.099 40.800 0.293 0.000 1.397 145 D HN 0.363 nan 8.370 nan 0.000 0.461 146 Y N -0.260 119.951 120.300 -0.149 0.000 2.546 146 Y HA 0.156 4.703 4.550 -0.004 0.000 0.287 146 Y C 2.046 178.008 175.900 0.103 0.000 1.158 146 Y CA 0.621 58.676 58.100 -0.075 0.000 1.307 146 Y CB 0.326 38.696 38.460 -0.150 0.000 1.036 146 Y HN 0.313 nan 8.280 nan 0.000 0.532 147 S N -1.168 114.693 115.700 0.269 0.000 2.371 147 S HA -0.063 4.404 4.470 -0.004 0.000 0.219 147 S C 1.445 176.029 174.600 -0.028 0.000 1.040 147 S CA 1.466 59.813 58.200 0.244 0.000 0.958 147 S CB -0.247 63.096 63.200 0.239 0.000 0.860 147 S HN 0.471 nan 8.310 nan 0.000 0.487 148 T N -0.945 113.472 114.554 -0.229 0.000 3.487 148 T HA 0.438 4.785 4.350 -0.004 0.000 0.287 148 T C 1.329 175.891 174.700 -0.230 0.000 1.004 148 T CA 0.142 61.978 62.100 -0.440 0.000 0.977 148 T CB 0.493 68.794 68.868 -0.944 0.000 1.180 148 T HN 0.206 nan 8.240 nan 0.000 0.490 149 G N 1.688 110.422 108.800 -0.111 0.000 2.469 149 G HA2 -0.082 3.876 3.960 -0.004 0.000 0.219 149 G HA3 -0.082 3.876 3.960 -0.004 0.000 0.219 149 G C 1.514 176.387 174.900 -0.046 0.000 1.150 149 G CA 0.917 45.970 45.100 -0.078 0.000 0.763 149 G HN 0.771 nan 8.290 nan 0.000 0.561 150 A N 0.716 123.515 122.820 -0.036 0.000 1.887 150 A HA 0.547 4.865 4.320 -0.004 0.000 0.212 150 A C 2.787 180.343 177.584 -0.047 0.000 1.198 150 A CA 1.704 53.734 52.037 -0.012 0.000 0.628 150 A CB -0.739 18.284 19.000 0.039 0.000 0.847 150 A HN 0.761 nan 8.150 nan 0.000 0.449 151 A N 0.631 123.403 122.820 -0.080 0.000 1.933 151 A HA -0.225 4.093 4.320 -0.004 0.000 0.218 151 A C 2.189 179.648 177.584 -0.209 0.000 1.175 151 A CA 1.793 53.749 52.037 -0.136 0.000 0.628 151 A CB -0.728 18.106 19.000 -0.276 0.000 0.814 151 A HN 0.771 nan 8.150 nan 0.000 0.444 152 Q N -0.578 119.071 119.800 -0.253 0.000 2.364 152 Q HA -0.031 4.307 4.340 -0.004 0.000 0.207 152 Q C 1.359 177.273 176.000 -0.143 0.000 0.970 152 Q CA 1.681 57.341 55.803 -0.238 0.000 0.888 152 Q CB -0.294 28.296 28.738 -0.246 0.000 0.951 152 Q HN 0.369 nan 8.270 nan 0.000 0.469 153 V N 0.192 120.043 119.914 -0.105 0.000 2.685 153 V HA -0.088 4.030 4.120 -0.004 0.000 0.244 153 V C 1.972 178.020 176.094 -0.077 0.000 1.054 153 V CA 0.641 62.887 62.300 -0.089 0.000 1.076 153 V CB -0.078 31.694 31.823 -0.085 0.000 0.725 153 V HN 0.291 nan 8.190 nan 0.000 0.467 154 I N -0.197 120.309 120.570 -0.107 0.000 2.500 154 I HA -0.103 4.065 4.170 -0.004 0.000 0.252 154 I C 2.232 178.213 176.117 -0.226 0.000 1.142 154 I CA 1.567 62.761 61.300 -0.178 0.000 1.451 154 I CB -0.241 37.616 38.000 -0.238 0.000 1.093 154 I HN 0.105 nan 8.210 nan 0.000 0.430 155 M N 0.698 120.188 119.600 -0.183 0.000 2.108 155 M HA -0.110 4.368 4.480 -0.004 0.000 0.261 155 M C -0.203 175.998 176.300 -0.165 0.000 1.066 155 M CA 1.886 57.089 55.300 -0.163 0.000 1.107 155 M CB -2.502 30.030 32.600 -0.113 0.000 1.356 155 M HN 0.124 nan 8.290 nan 0.000 0.406 156 P HA -0.135 nan 4.420 nan 0.000 0.219 156 P C 1.276 178.392 177.300 -0.306 0.000 1.146 156 P CA 1.268 64.219 63.100 -0.250 0.000 0.808 156 P CB -0.316 31.196 31.700 -0.313 0.000 0.779 157 H N -1.874 117.058 119.070 -0.231 0.000 2.535 157 H HA 0.108 4.661 4.556 -0.004 0.000 0.273 157 H C 1.656 176.823 175.328 -0.269 0.000 0.983 157 H CA 0.820 56.713 56.048 -0.258 0.000 1.238 157 H CB 0.025 29.569 29.762 -0.363 0.000 1.412 157 H HN 0.052 nan 8.280 nan 0.000 0.562 158 V N 0.326 120.125 119.914 -0.191 0.000 2.627 158 V HA -0.070 4.048 4.120 -0.004 0.000 0.239 158 V C 2.251 178.309 176.094 -0.060 0.000 1.077 158 V CA 1.124 63.320 62.300 -0.173 0.000 1.103 158 V CB 0.140 31.776 31.823 -0.311 0.000 0.802 158 V HN 0.310 nan 8.190 nan 0.000 0.482 159 V N -2.372 117.512 119.914 -0.050 0.000 3.528 159 V HA 0.715 4.832 4.120 -0.004 0.000 0.294 159 V C 1.359 177.446 176.094 -0.011 0.000 1.404 159 V CA 0.873 63.177 62.300 0.005 0.000 1.065 159 V CB -0.049 31.853 31.823 0.133 0.000 0.904 159 V HN 0.714 nan 8.190 nan 0.000 0.435 160 G N 1.127 109.891 108.800 -0.059 0.000 2.258 160 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.233 160 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.233 160 G C 0.415 175.268 174.900 -0.079 0.000 1.006 160 G CA 0.759 45.815 45.100 -0.075 0.000 0.620 160 G HN 1.289 nan 8.290 nan 0.000 0.511 161 T N -2.198 112.323 114.554 -0.056 0.000 2.858 161 T HA 0.717 5.065 4.350 -0.004 0.000 0.285 161 T C 1.106 175.765 174.700 -0.068 0.000 1.052 161 T CA -0.085 61.980 62.100 -0.059 0.000 1.009 161 T CB 1.627 70.471 68.868 -0.039 0.000 1.241 161 T HN 0.367 nan 8.240 nan 0.000 0.542 162 L N 0.851 122.030 121.223 -0.073 0.000 2.046 162 L HA 0.042 4.380 4.340 -0.004 0.000 0.208 162 L C 2.189 178.986 176.870 -0.121 0.000 1.077 162 L CA 2.688 57.462 54.840 -0.110 0.000 0.747 162 L CB -1.195 40.811 42.059 -0.089 0.000 0.896 162 L HN 1.150 nan 8.230 nan 0.000 0.432 163 E N -1.924 118.245 120.200 -0.052 0.000 5.052 163 E HA -0.311 4.037 4.350 -0.004 0.000 0.167 163 E C 1.540 178.127 176.600 -0.022 0.000 1.146 163 E CA 1.919 58.324 56.400 0.008 0.000 2.262 163 E CB -1.604 28.153 29.700 0.095 0.000 1.785 163 E HN 0.274 nan 8.360 nan 0.000 0.455 164 V N -1.354 118.442 119.914 -0.195 0.000 2.626 164 V HA -0.017 4.101 4.120 -0.004 0.000 0.252 164 V C 1.529 177.558 176.094 -0.108 0.000 1.067 164 V CA 2.051 64.192 62.300 -0.266 0.000 1.081 164 V CB -0.709 30.607 31.823 -0.845 0.000 0.686 164 V HN 0.340 nan 8.190 nan 0.000 0.468 165 Y N 0.985 121.352 120.300 0.112 0.000 2.722 165 Y HA 0.613 5.161 4.550 -0.004 0.000 0.314 165 Y C 0.461 176.538 175.900 0.295 0.000 1.008 165 Y CA -1.533 56.706 58.100 0.232 0.000 1.294 165 Y CB -0.338 38.154 38.460 0.053 0.000 1.231 165 Y HN 0.437 nan 8.280 nan 0.000 0.558 166 E N 0.099 120.506 120.200 0.345 0.000 2.277 166 E HA 0.321 4.668 4.350 -0.004 0.000 0.266 166 E C -0.848 175.795 176.600 0.073 0.000 0.901 166 E CA -1.435 55.096 56.400 0.219 0.000 0.782 166 E CB 1.777 31.517 29.700 0.066 0.000 1.228 166 E HN -0.002 nan 8.360 nan 0.000 0.424 167 Q N 2.107 121.915 119.800 0.013 0.000 2.349 167 Q HA -0.051 4.287 4.340 -0.004 0.000 0.287 167 Q C -0.695 175.213 176.000 -0.155 0.000 1.044 167 Q CA 0.612 56.291 55.803 -0.207 0.000 0.918 167 Q CB 0.541 29.121 28.738 -0.263 0.000 1.242 167 Q HN 0.249 nan 8.270 nan 0.000 0.405 168 Q N 1.846 121.463 119.800 -0.305 0.000 2.180 168 Q HA 0.316 4.654 4.340 -0.004 0.000 0.241 168 Q C -0.378 175.626 176.000 0.006 0.000 0.970 168 Q CA -0.536 55.081 55.803 -0.311 0.000 0.919 168 Q CB 0.683 28.855 28.738 -0.943 0.000 1.222 168 Q HN 0.703 nan 8.270 nan 0.000 0.482 169 T N 1.633 116.159 114.554 -0.046 0.000 2.905 169 T HA 0.144 4.492 4.350 -0.004 0.000 0.299 169 T C 0.207 174.943 174.700 0.060 0.000 1.024 169 T CA 0.075 62.167 62.100 -0.013 0.000 1.151 169 T CB 0.083 68.912 68.868 -0.065 0.000 0.987 169 T HN 0.590 nan 8.240 nan 0.000 0.535 170 A N 3.332 126.226 122.820 0.124 0.000 2.520 170 A HA 0.108 4.426 4.320 -0.004 0.000 0.235 170 A C 1.026 178.684 177.584 0.124 0.000 1.065 170 A CA -0.201 51.917 52.037 0.134 0.000 0.764 170 A CB -0.001 19.111 19.000 0.188 0.000 1.002 170 A HN 1.106 nan 8.150 nan 0.000 0.502 171 W N 1.512 122.918 121.300 0.176 0.000 2.318 171 W HA -0.126 4.532 4.660 -0.004 0.000 0.313 171 W C -0.647 175.925 176.519 0.088 0.000 1.221 171 W CA 2.019 59.440 57.345 0.128 0.000 1.266 171 W CB -1.023 28.515 29.460 0.129 0.000 1.150 171 W HN 0.603 nan 8.180 nan 0.000 0.496 172 P HA -0.159 nan 4.420 nan 0.000 0.218 172 P C 1.540 178.928 177.300 0.146 0.000 1.149 172 P CA 1.529 64.751 63.100 0.204 0.000 0.817 172 P CB -0.276 31.523 31.700 0.166 0.000 0.785 173 V N -0.189 119.798 119.914 0.123 0.000 2.427 173 V HA -0.204 3.913 4.120 -0.004 0.000 0.248 173 V C 2.560 178.686 176.094 0.053 0.000 1.051 173 V CA 1.478 63.819 62.300 0.068 0.000 1.048 173 V CB -1.197 30.648 31.823 0.036 0.000 0.666 173 V HN 0.052 nan 8.190 nan 0.000 0.456 174 L N 0.206 121.467 121.223 0.064 0.000 2.046 174 L HA -0.151 4.187 4.340 -0.004 0.000 0.208 174 L C 2.792 179.708 176.870 0.077 0.000 1.077 174 L CA 1.659 56.520 54.840 0.035 0.000 0.747 174 L CB -0.973 41.091 42.059 0.009 0.000 0.896 174 L HN 0.366 nan 8.230 nan 0.000 0.432 175 A N -0.180 122.721 122.820 0.136 0.000 1.940 175 A HA -0.180 4.138 4.320 -0.004 0.000 0.219 175 A C 2.143 179.775 177.584 0.080 0.000 1.176 175 A CA 1.527 53.637 52.037 0.122 0.000 0.631 175 A CB -0.280 18.805 19.000 0.142 0.000 0.814 175 A HN 0.391 nan 8.150 nan 0.000 0.446 176 E N -0.383 119.859 120.200 0.069 0.000 2.371 176 E HA -0.002 4.346 4.350 -0.004 0.000 0.194 176 E C 0.845 177.465 176.600 0.033 0.000 1.012 176 E CA 0.535 56.965 56.400 0.050 0.000 0.860 176 E CB -0.112 29.618 29.700 0.049 0.000 0.811 176 E HN 0.690 nan 8.360 nan 0.000 0.502 177 N N -0.050 118.664 118.700 0.024 0.000 2.360 177 N HA 0.022 4.760 4.740 -0.004 0.000 0.211 177 N C 0.054 175.560 175.510 -0.007 0.000 1.147 177 N CA 0.190 53.244 53.050 0.006 0.000 0.866 177 N CB 0.868 39.353 38.487 -0.003 0.000 1.206 177 N HN -0.068 nan 8.380 nan 0.000 0.478 178 T N 1.367 115.913 114.554 -0.014 0.000 2.901 178 T HA 0.151 4.499 4.350 -0.004 0.000 0.301 178 T C 1.095 175.780 174.700 -0.025 0.000 1.012 178 T CA 0.327 62.404 62.100 -0.038 0.000 1.135 178 T CB 1.709 70.535 68.868 -0.069 0.000 0.936 178 T HN 0.117 nan 8.240 nan 0.000 0.539 179 E N 1.097 121.280 120.200 -0.029 0.000 2.330 179 E HA 0.165 4.512 4.350 -0.004 0.000 0.200 179 E C -0.167 176.419 176.600 -0.024 0.000 0.922 179 E CA 0.181 56.572 56.400 -0.014 0.000 0.935 179 E CB 0.733 30.433 29.700 0.000 0.000 0.917 179 E HN 0.255 nan 8.360 nan 0.000 0.491 180 V N 2.236 122.122 119.914 -0.046 0.000 2.482 180 V HA 0.300 4.417 4.120 -0.004 0.000 0.295 180 V C -0.972 175.029 176.094 -0.155 0.000 1.026 180 V CA -0.642 61.623 62.300 -0.058 0.000 0.856 180 V CB 1.586 33.419 31.823 0.018 0.000 1.001 180 V HN 0.119 nan 8.190 nan 0.000 0.424 181 M N 6.840 126.310 119.600 -0.217 0.000 2.149 181 M HA 0.642 5.120 4.480 -0.004 0.000 0.342 181 M C -1.191 174.842 176.300 -0.445 0.000 1.068 181 M CA -0.098 54.974 55.300 -0.380 0.000 0.991 181 M CB 1.462 33.798 32.600 -0.440 0.000 1.596 181 M HN 0.368 nan 8.290 nan 0.000 0.439 182 V N 6.350 125.985 119.914 -0.465 0.000 2.370 182 V HA 0.452 4.570 4.120 -0.004 0.000 0.283 182 V C -0.945 174.936 176.094 -0.355 0.000 1.023 182 V CA -0.440 61.663 62.300 -0.327 0.000 0.857 182 V CB 0.941 32.614 31.823 -0.251 0.000 0.985 182 V HN 0.663 nan 8.190 nan 0.000 0.443 183 F N 4.284 124.249 119.950 0.025 0.000 2.313 183 F HA 0.354 4.879 4.527 -0.004 0.000 0.369 183 F C -0.034 175.852 175.800 0.143 0.000 1.109 183 F CA -0.567 57.489 58.000 0.093 0.000 1.132 183 F CB 0.864 39.913 39.000 0.081 0.000 1.291 183 F HN 0.531 nan 8.300 nan 0.000 0.496 184 W N 4.814 126.219 121.300 0.176 0.000 2.283 184 W HA 0.497 5.155 4.660 -0.004 0.000 0.317 184 W C 0.248 176.842 176.519 0.125 0.000 1.042 184 W CA -1.157 56.270 57.345 0.137 0.000 1.348 184 W CB 1.043 30.561 29.460 0.097 0.000 1.216 184 W HN 0.743 nan 8.180 nan 0.000 0.404 185 A N 4.087 127.171 122.820 0.440 0.000 2.869 185 A HA 0.080 4.398 4.320 -0.004 0.000 0.280 185 A C -0.093 177.583 177.584 0.153 0.000 1.458 185 A CA 1.370 53.589 52.037 0.303 0.000 0.776 185 A CB -1.791 17.408 19.000 0.330 0.000 1.028 185 A HN 1.491 nan 8.150 nan 0.000 0.547 186 A N -0.530 122.376 122.820 0.143 0.000 2.422 186 A HA 0.678 4.995 4.320 -0.004 0.000 0.302 186 A C -0.598 177.003 177.584 0.029 0.000 1.041 186 A CA 0.303 52.347 52.037 0.012 0.000 0.708 186 A CB 1.235 20.287 19.000 0.087 0.000 1.257 186 A HN 0.906 nan 8.150 nan 0.000 0.414 187 D N 3.297 123.689 120.400 -0.014 0.000 2.441 187 D HA 0.337 4.975 4.640 -0.004 0.000 0.287 187 D C -1.762 174.497 176.300 -0.069 0.000 1.198 187 D CA -1.743 52.239 54.000 -0.030 0.000 0.894 187 D CB 1.313 42.146 40.800 0.055 0.000 1.070 187 D HN 0.162 nan 8.370 nan 0.000 0.499 188 P HA -0.102 nan 4.420 nan 0.000 0.218 188 P C 1.851 179.017 177.300 -0.224 0.000 1.149 188 P CA 0.586 63.601 63.100 -0.141 0.000 0.817 188 P CB 0.714 32.309 31.700 -0.175 0.000 0.785 189 I N 0.057 120.500 120.570 -0.211 0.000 2.226 189 I HA -0.227 3.940 4.170 -0.004 0.000 0.245 189 I C 2.770 178.844 176.117 -0.072 0.000 1.100 189 I CA 1.532 62.749 61.300 -0.138 0.000 1.374 189 I CB -0.447 37.520 38.000 -0.055 0.000 1.057 189 I HN -0.011 nan 8.210 nan 0.000 0.413 190 K N 0.817 121.155 120.400 -0.104 0.000 2.007 190 K HA -0.167 4.151 4.320 -0.004 0.000 0.206 190 K C 2.050 178.475 176.600 -0.291 0.000 1.047 190 K CA 2.052 58.120 56.287 -0.365 0.000 0.937 190 K CB -0.104 32.303 32.500 -0.155 0.000 0.718 190 K HN 0.367 nan 8.250 nan 0.000 0.438 191 T N -1.948 112.530 114.554 -0.126 0.000 3.088 191 T HA 0.077 4.424 4.350 -0.004 0.000 0.259 191 T C 1.546 176.232 174.700 -0.025 0.000 1.122 191 T CA 0.728 62.792 62.100 -0.060 0.000 1.095 191 T CB 0.178 69.062 68.868 0.028 0.000 0.930 191 T HN 0.003 nan 8.240 nan 0.000 0.508 192 S N 1.476 117.156 115.700 -0.033 0.000 2.603 192 S HA 0.093 4.561 4.470 -0.004 0.000 0.220 192 S C 1.821 176.566 174.600 0.242 0.000 0.967 192 S CA -0.113 58.101 58.200 0.024 0.000 0.920 192 S CB -0.211 62.850 63.200 -0.230 0.000 0.773 192 S HN 0.608 nan 8.310 nan 0.000 0.529 193 Q N 0.521 120.428 119.800 0.178 0.000 2.224 193 Q HA -0.002 4.336 4.340 -0.004 0.000 0.203 193 Q C 0.537 176.733 176.000 0.326 0.000 0.970 193 Q CA 0.737 56.679 55.803 0.232 0.000 0.865 193 Q CB -0.227 28.552 28.738 0.068 0.000 0.922 193 Q HN 0.697 nan 8.270 nan 0.000 0.445 194 I N -4.237 116.399 120.570 0.111 0.000 3.067 194 I HA 0.779 4.947 4.170 -0.004 0.000 0.312 194 I C -0.057 176.090 176.117 0.050 0.000 1.073 194 I CA -1.051 60.246 61.300 -0.004 0.000 1.016 194 I CB 1.994 39.821 38.000 -0.289 0.000 1.227 194 I HN -0.171 nan 8.210 nan 0.000 0.456 195 G N 0.686 109.555 108.800 0.115 0.000 2.642 195 G HA2 0.255 4.213 3.960 -0.004 0.000 0.293 195 G HA3 0.255 4.213 3.960 -0.004 0.000 0.293 195 G C -0.734 174.415 174.900 0.415 0.000 1.341 195 G CA -0.641 44.554 45.100 0.158 0.000 0.916 195 G HN 0.968 nan 8.290 nan 0.000 0.474 196 W N 1.316 122.669 121.300 0.090 0.000 2.408 196 W HA 0.038 4.695 4.660 -0.004 0.000 0.311 196 W C 0.828 177.361 176.519 0.024 0.000 1.190 196 W CA 1.868 59.156 57.345 -0.095 0.000 1.321 196 W CB -0.011 29.288 29.460 -0.268 0.000 1.143 196 W HN 0.441 nan 8.180 nan 0.000 0.501 197 V N 0.343 120.284 119.914 0.044 0.000 3.561 197 V HA 0.275 4.393 4.120 -0.004 0.000 0.290 197 V C 0.747 176.828 176.094 -0.022 0.000 1.052 197 V CA -1.294 60.958 62.300 -0.080 0.000 0.973 197 V CB 0.054 31.856 31.823 -0.034 0.000 1.243 197 V HN -0.056 nan 8.190 nan 0.000 0.432 198 I N 2.578 123.122 120.570 -0.045 0.000 2.683 198 I HA 0.212 4.380 4.170 -0.004 0.000 0.286 198 I C -2.039 174.074 176.117 -0.007 0.000 1.175 198 I CA -1.794 59.494 61.300 -0.020 0.000 1.429 198 I CB -0.459 37.506 38.000 -0.059 0.000 1.371 198 I HN 0.590 nan 8.210 nan 0.000 0.569 199 P HA 0.137 nan 4.420 nan 0.000 0.277 199 P C 0.167 177.382 177.300 -0.141 0.000 1.240 199 P CA -0.207 62.837 63.100 -0.093 0.000 0.798 199 P CB 0.993 32.579 31.700 -0.191 0.000 0.979 200 E N 1.630 121.812 120.200 -0.029 0.000 2.481 200 E HA -0.072 4.276 4.350 -0.004 0.000 0.198 200 E C -0.159 176.522 176.600 0.135 0.000 1.027 200 E CA -0.035 56.417 56.400 0.086 0.000 0.900 200 E CB -1.003 28.799 29.700 0.171 0.000 0.993 200 E HN 0.607 nan 8.360 nan 0.000 0.482 201 H N -0.508 118.706 119.070 0.241 0.000 2.791 201 H HA -0.138 4.415 4.556 -0.003 0.000 0.302 201 H C 1.176 176.665 175.328 0.268 0.000 1.198 201 H CA -0.026 56.208 56.048 0.310 0.000 1.145 201 H CB -1.594 28.363 29.762 0.326 0.000 1.385 201 H HN 0.437 nan 8.280 nan 0.000 0.409 202 G N -0.015 108.943 108.800 0.263 0.000 2.509 202 G HA2 -0.032 3.926 3.960 -0.004 0.000 0.218 202 G HA3 -0.032 3.926 3.960 -0.004 0.000 0.218 202 G C 1.695 176.601 174.900 0.010 0.000 1.124 202 G CA 0.603 45.810 45.100 0.178 0.000 0.776 202 G HN 0.607 nan 8.290 nan 0.000 0.547 203 A N 0.190 122.977 122.820 -0.054 0.000 1.969 203 A HA 0.085 4.403 4.320 -0.004 0.000 0.218 203 A C 2.071 179.227 177.584 -0.713 0.000 1.169 203 A CA 1.121 52.900 52.037 -0.429 0.000 0.635 203 A CB -0.474 18.353 19.000 -0.287 0.000 0.810 203 A HN 0.400 nan 8.150 nan 0.000 0.445 204 Y N 0.301 120.415 120.300 -0.310 0.000 2.145 204 Y HA -0.101 4.447 4.550 -0.004 0.000 0.286 204 Y C -0.098 175.625 175.900 -0.296 0.000 1.145 204 Y CA 1.980 59.867 58.100 -0.356 0.000 1.148 204 Y CB -1.704 36.557 38.460 -0.332 0.000 0.981 204 Y HN 0.299 nan 8.280 nan 0.000 0.507 205 P HA -0.119 nan 4.420 nan 0.000 0.217 205 P C 1.805 178.992 177.300 -0.189 0.000 1.150 205 P CA 2.110 65.167 63.100 -0.072 0.000 0.832 205 P CB -0.304 31.387 31.700 -0.016 0.000 0.787 206 G N 0.120 108.628 108.800 -0.487 0.000 2.446 206 G HA2 -0.228 3.730 3.960 -0.004 0.000 0.217 206 G HA3 -0.228 3.730 3.960 -0.004 0.000 0.217 206 G C 1.516 176.077 174.900 -0.565 0.000 1.168 206 G CA 0.654 45.292 45.100 -0.768 0.000 0.771 206 G HN 0.227 nan 8.290 nan 0.000 0.551 207 L N 0.049 120.913 121.223 -0.598 0.000 2.056 207 L HA -0.034 4.304 4.340 -0.004 0.000 0.207 207 L C 2.869 179.857 176.870 0.196 0.000 1.078 207 L CA 1.217 56.011 54.840 -0.078 0.000 0.749 207 L CB -0.471 41.465 42.059 -0.206 0.000 0.901 207 L HN 0.277 nan 8.230 nan 0.000 0.433 208 E N 0.342 120.580 120.200 0.063 0.000 2.077 208 E HA -0.221 4.127 4.350 -0.004 0.000 0.193 208 E C 2.321 179.034 176.600 0.188 0.000 0.989 208 E CA 1.175 57.707 56.400 0.219 0.000 0.800 208 E CB -0.187 29.588 29.700 0.125 0.000 0.746 208 E HN 0.506 nan 8.360 nan 0.000 0.452 209 A N 1.161 124.053 122.820 0.120 0.000 1.930 209 A HA -0.139 4.179 4.320 -0.004 0.000 0.217 209 A C 2.171 179.859 177.584 0.172 0.000 1.175 209 A CA 0.902 53.015 52.037 0.126 0.000 0.627 209 A CB -0.522 18.542 19.000 0.107 0.000 0.815 209 A HN 0.125 nan 8.150 nan 0.000 0.443 210 L N -0.732 120.635 121.223 0.240 0.000 2.046 210 L HA -0.199 4.139 4.340 -0.004 0.000 0.208 210 L C 2.657 179.704 176.870 0.294 0.000 1.077 210 L CA 1.988 56.989 54.840 0.268 0.000 0.747 210 L CB -0.538 41.722 42.059 0.334 0.000 0.896 210 L HN 0.465 nan 8.230 nan 0.000 0.432 211 K N 0.411 121.056 120.400 0.408 0.000 2.057 211 K HA -0.158 4.160 4.320 -0.004 0.000 0.206 211 K C 2.133 178.807 176.600 0.123 0.000 1.050 211 K CA 1.285 57.733 56.287 0.269 0.000 0.935 211 K CB -0.030 32.486 32.500 0.025 0.000 0.715 211 K HN 0.256 nan 8.250 nan 0.000 0.439 212 A N 1.308 124.198 122.820 0.116 0.000 1.969 212 A HA -0.109 4.209 4.320 -0.004 0.000 0.218 212 A C 1.802 179.428 177.584 0.070 0.000 1.169 212 A CA 1.215 53.296 52.037 0.074 0.000 0.635 212 A CB -0.203 18.841 19.000 0.074 0.000 0.810 212 A HN 0.153 nan 8.150 nan 0.000 0.445 213 K N -1.334 119.118 120.400 0.087 0.000 2.366 213 K HA 0.029 4.347 4.320 -0.004 0.000 0.198 213 K C 1.201 177.837 176.600 0.060 0.000 1.044 213 K CA 0.803 57.132 56.287 0.070 0.000 0.973 213 K CB -0.310 32.236 32.500 0.076 0.000 0.767 213 K HN 0.790 nan 8.250 nan 0.000 0.475 214 G N 1.970 110.812 108.800 0.069 0.000 2.147 214 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.244 214 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.244 214 G C 0.184 175.112 174.900 0.047 0.000 1.005 214 G CA 0.513 45.646 45.100 0.055 0.000 0.713 214 G HN 0.240 nan 8.290 nan 0.000 0.515 215 T N 0.301 114.885 114.554 0.050 0.000 2.946 215 T HA 0.303 4.651 4.350 -0.004 0.000 0.311 215 T C 0.788 175.486 174.700 -0.004 0.000 1.063 215 T CA 0.808 62.919 62.100 0.017 0.000 1.139 215 T CB 0.951 69.824 68.868 0.008 0.000 0.994 215 T HN 0.594 nan 8.240 nan 0.000 0.547 216 K N 2.825 123.216 120.400 -0.014 0.000 2.339 216 K HA 0.340 4.658 4.320 -0.004 0.000 0.286 216 K C -1.042 175.520 176.600 -0.064 0.000 1.050 216 K CA -0.374 55.906 56.287 -0.013 0.000 0.956 216 K CB 0.338 32.844 32.500 0.010 0.000 0.990 216 K HN 0.292 nan 8.250 nan 0.000 0.475 217 V N 6.619 126.490 119.914 -0.072 0.000 2.495 217 V HA 0.447 4.565 4.120 -0.004 0.000 0.298 217 V C -0.296 175.783 176.094 -0.026 0.000 1.031 217 V CA -0.796 61.417 62.300 -0.144 0.000 0.871 217 V CB 1.414 33.027 31.823 -0.350 0.000 0.988 217 V HN 0.704 nan 8.190 nan 0.000 0.432 218 I N 4.548 125.107 120.570 -0.019 0.000 2.465 218 I HA 0.544 4.711 4.170 -0.004 0.000 0.291 218 I C -0.710 175.450 176.117 0.073 0.000 1.014 218 I CA -0.745 60.582 61.300 0.045 0.000 1.093 218 I CB 2.207 40.251 38.000 0.074 0.000 1.267 218 I HN 0.263 nan 8.210 nan 0.000 0.431 219 V N 7.189 127.173 119.914 0.117 0.000 2.448 219 V HA 0.459 4.577 4.120 -0.004 0.000 0.295 219 V C -0.114 176.047 176.094 0.112 0.000 1.025 219 V CA -0.463 61.928 62.300 0.153 0.000 0.859 219 V CB 1.885 33.798 31.823 0.151 0.000 0.988 219 V HN 0.464 nan 8.190 nan 0.000 0.431 220 I N 4.728 125.288 120.570 -0.016 0.000 2.371 220 I HA 0.553 4.721 4.170 -0.004 0.000 0.282 220 I C -0.815 175.312 176.117 0.017 0.000 1.031 220 I CA 0.093 61.295 61.300 -0.162 0.000 1.180 220 I CB 1.066 38.612 38.000 -0.757 0.000 1.336 220 I HN 0.568 nan 8.210 nan 0.000 0.467 221 D N 8.346 128.831 120.400 0.142 0.000 2.836 221 D HA 0.195 4.833 4.640 -0.004 0.000 0.215 221 D C -2.371 174.069 176.300 0.233 0.000 1.255 221 D CA -1.281 52.838 54.000 0.199 0.000 0.822 221 D CB 3.304 44.231 40.800 0.213 0.000 1.656 221 D HN 0.053 nan 8.370 nan 0.000 0.511 222 P HA -0.010 nan 4.420 nan 0.000 0.230 222 P C 0.432 177.839 177.300 0.178 0.000 1.158 222 P CA 0.381 63.550 63.100 0.115 0.000 0.769 222 P CB 0.503 32.251 31.700 0.079 0.000 0.807 223 V N 0.775 120.832 119.914 0.238 0.000 2.628 223 V HA 0.312 4.430 4.120 -0.004 0.000 0.306 223 V C 0.728 176.954 176.094 0.219 0.000 1.045 223 V CA -1.075 61.357 62.300 0.220 0.000 0.905 223 V CB 2.240 34.165 31.823 0.169 0.000 0.997 223 V HN -0.132 nan 8.190 nan 0.000 0.436 224 R N 3.035 123.651 120.500 0.192 0.000 2.429 224 R HA 0.248 4.586 4.340 -0.004 0.000 0.302 224 R C 0.456 176.754 176.300 -0.003 0.000 1.268 224 R CA -0.111 55.989 56.100 0.000 0.000 1.090 224 R CB -0.001 30.361 30.300 0.104 0.000 1.102 224 R HN 0.981 nan 8.270 nan 0.000 0.522 225 T N -0.181 114.357 114.554 -0.027 0.000 2.770 225 T HA 0.173 4.521 4.350 -0.004 0.000 0.281 225 T C 1.099 175.837 174.700 0.063 0.000 0.981 225 T CA -0.676 61.461 62.100 0.062 0.000 0.955 225 T CB 1.115 70.037 68.868 0.089 0.000 1.060 225 T HN 0.434 nan 8.240 nan 0.000 0.531 226 K N -0.096 120.376 120.400 0.120 0.000 2.211 226 K HA -0.076 4.242 4.320 -0.004 0.000 0.203 226 K C 2.423 179.093 176.600 0.118 0.000 1.050 226 K CA 1.307 57.668 56.287 0.123 0.000 0.945 226 K CB -0.596 32.017 32.500 0.190 0.000 0.732 226 K HN 0.608 nan 8.250 nan 0.000 0.451 227 T N 1.237 115.846 114.554 0.092 0.000 2.746 227 T HA -0.110 4.238 4.350 -0.004 0.000 0.267 227 T C 2.057 176.895 174.700 0.231 0.000 1.039 227 T CA 1.170 63.336 62.100 0.110 0.000 1.142 227 T CB -0.176 68.677 68.868 -0.026 0.000 0.866 227 T HN -0.051 nan 8.240 nan 0.000 0.444 228 V N 1.574 121.554 119.914 0.109 0.000 2.255 228 V HA -0.208 3.910 4.120 -0.004 0.000 0.247 228 V C 2.444 178.607 176.094 0.115 0.000 1.051 228 V CA 1.853 64.196 62.300 0.071 0.000 1.018 228 V CB -0.651 31.072 31.823 -0.167 0.000 0.641 228 V HN 0.553 nan 8.190 nan 0.000 0.445 229 E N -0.558 119.692 120.200 0.085 0.000 2.110 229 E HA -0.229 4.119 4.350 -0.004 0.000 0.193 229 E C 1.994 178.641 176.600 0.080 0.000 0.988 229 E CA 1.515 57.959 56.400 0.074 0.000 0.804 229 E CB -0.272 29.465 29.700 0.062 0.000 0.745 229 E HN 0.634 nan 8.360 nan 0.000 0.458 230 F N 0.105 120.016 119.950 -0.066 0.000 2.146 230 F HA -0.139 4.386 4.527 -0.004 0.000 0.298 230 F C 1.415 177.061 175.800 -0.256 0.000 1.096 230 F CA 1.261 59.134 58.000 -0.211 0.000 1.275 230 F CB 0.029 38.806 39.000 -0.371 0.000 1.008 230 F HN -0.089 nan 8.300 nan 0.000 0.480 231 F N 0.502 120.430 119.950 -0.036 0.000 2.754 231 F HA 0.319 4.844 4.527 -0.004 0.000 0.297 231 F C 1.870 177.630 175.800 -0.067 0.000 1.122 231 F CA 0.504 58.442 58.000 -0.104 0.000 1.400 231 F CB -0.598 38.455 39.000 0.088 0.000 1.117 231 F HN 0.050 nan 8.300 nan 0.000 0.587 232 G N 1.284 110.151 108.800 0.113 0.000 2.295 232 G HA2 -0.130 3.828 3.960 -0.004 0.000 0.287 232 G HA3 -0.130 3.828 3.960 -0.004 0.000 0.287 232 G C 0.373 175.345 174.900 0.120 0.000 1.055 232 G CA -0.011 45.138 45.100 0.082 0.000 0.922 232 G HN 0.644 nan 8.290 nan 0.000 0.503 233 A N -0.505 122.414 122.820 0.167 0.000 2.386 233 A HA 0.603 4.921 4.320 -0.004 0.000 0.248 233 A C 0.717 178.375 177.584 0.123 0.000 1.082 233 A CA 0.454 52.581 52.037 0.150 0.000 0.789 233 A CB 0.372 19.482 19.000 0.185 0.000 1.025 233 A HN 0.981 nan 8.150 nan 0.000 0.490 234 E N 0.897 121.159 120.200 0.103 0.000 2.351 234 E HA 0.063 4.411 4.350 -0.004 0.000 0.266 234 E C -0.389 176.304 176.600 0.154 0.000 1.031 234 E CA 0.092 56.551 56.400 0.100 0.000 0.911 234 E CB 0.126 29.862 29.700 0.061 0.000 0.986 234 E HN 0.720 nan 8.360 nan 0.000 0.446 235 H N 6.340 125.425 119.070 0.025 0.000 2.551 235 H HA 0.259 4.813 4.556 -0.004 0.000 0.321 235 H C -0.767 174.555 175.328 -0.010 0.000 1.028 235 H CA -1.186 54.874 56.048 0.020 0.000 1.215 235 H CB 0.641 30.428 29.762 0.042 0.000 1.414 235 H HN 0.429 nan 8.280 nan 0.000 0.480 236 I N 5.166 125.729 120.570 -0.012 0.000 2.336 236 I HA 0.075 4.243 4.170 -0.004 0.000 0.292 236 I C 0.535 176.512 176.117 -0.234 0.000 0.991 236 I CA -0.531 60.675 61.300 -0.157 0.000 1.227 236 I CB 1.300 39.215 38.000 -0.140 0.000 1.366 236 I HN 0.619 nan 8.210 nan 0.000 0.466 237 T N 4.554 118.946 114.554 -0.270 0.000 3.053 237 T HA 0.520 4.868 4.350 -0.004 0.000 0.363 237 T C -2.463 172.167 174.700 -0.116 0.000 1.239 237 T CA -1.747 60.228 62.100 -0.209 0.000 1.071 237 T CB 1.009 69.718 68.868 -0.266 0.000 1.089 237 T HN 0.301 nan 8.240 nan 0.000 0.527 238 P HA 0.344 nan 4.420 nan 0.000 0.281 238 P C -0.414 176.859 177.300 -0.046 0.000 1.249 238 P CA -0.733 62.337 63.100 -0.050 0.000 0.810 238 P CB 1.022 32.723 31.700 0.001 0.000 1.008 239 K N 2.769 123.134 120.400 -0.058 0.000 2.448 239 K HA 0.169 4.487 4.320 -0.004 0.000 0.278 239 K C -2.125 174.430 176.600 -0.075 0.000 1.009 239 K CA -1.249 55.000 56.287 -0.064 0.000 0.995 239 K CB -0.732 31.736 32.500 -0.052 0.000 0.917 239 K HN 0.363 nan 8.250 nan 0.000 0.481 240 P HA -0.095 nan 4.420 nan 0.000 0.265 240 P C -0.718 176.509 177.300 -0.123 0.000 1.187 240 P CA 0.514 63.456 63.100 -0.264 0.000 0.766 240 P CB 0.502 31.687 31.700 -0.859 0.000 0.820 241 Q N -0.756 119.066 119.800 0.036 0.000 2.431 241 Q HA -0.162 4.175 4.340 -0.004 0.000 0.230 241 Q C 0.373 176.547 176.000 0.290 0.000 0.701 241 Q CA 1.407 57.313 55.803 0.171 0.000 1.290 241 Q CB -2.757 26.095 28.738 0.191 0.000 1.362 241 Q HN 0.704 nan 8.270 nan 0.000 0.762 242 T N -4.804 109.869 114.554 0.198 0.000 3.129 242 T HA 0.205 4.553 4.350 -0.004 0.000 0.267 242 T C 0.584 175.354 174.700 0.116 0.000 1.018 242 T CA 0.421 62.602 62.100 0.135 0.000 0.903 242 T CB 0.267 69.093 68.868 -0.069 0.000 1.067 242 T HN 0.106 nan 8.240 nan 0.000 0.549 243 D N 1.712 122.244 120.400 0.220 0.000 2.149 243 D HA -0.085 4.552 4.640 -0.004 0.000 0.198 243 D C 1.977 178.412 176.300 0.226 0.000 0.990 243 D CA 0.857 55.037 54.000 0.300 0.000 0.839 243 D CB -0.169 40.845 40.800 0.355 0.000 0.948 243 D HN 0.255 nan 8.370 nan 0.000 0.460 244 V N 0.838 120.889 119.914 0.229 0.000 2.407 244 V HA -0.247 3.871 4.120 -0.004 0.000 0.248 244 V C 2.365 178.607 176.094 0.246 0.000 1.055 244 V CA 1.743 64.192 62.300 0.249 0.000 1.049 244 V CB -0.716 31.334 31.823 0.379 0.000 0.662 244 V HN 0.268 nan 8.190 nan 0.000 0.455 245 A N -0.014 122.841 122.820 0.058 0.000 1.902 245 A HA -0.189 4.129 4.320 -0.004 0.000 0.217 245 A C 2.166 179.753 177.584 0.004 0.000 1.181 245 A CA 1.947 53.875 52.037 -0.181 0.000 0.623 245 A CB -0.535 17.881 19.000 -0.972 0.000 0.818 245 A HN 0.502 nan 8.150 nan 0.000 0.443 246 I N -0.722 119.869 120.570 0.035 0.000 2.208 246 I HA -0.325 3.842 4.170 -0.004 0.000 0.245 246 I C 2.721 178.985 176.117 0.244 0.000 1.097 246 I CA 1.679 63.059 61.300 0.134 0.000 1.363 246 I CB -0.296 37.832 38.000 0.213 0.000 1.051 246 I HN 0.347 nan 8.210 nan 0.000 0.413 247 M N -0.186 119.581 119.600 0.278 0.000 2.159 247 M HA -0.205 4.273 4.480 -0.004 0.000 0.263 247 M C 2.298 178.736 176.300 0.231 0.000 1.063 247 M CA 1.772 57.220 55.300 0.248 0.000 1.110 247 M CB -0.330 32.323 32.600 0.088 0.000 1.374 247 M HN 0.237 nan 8.290 nan 0.000 0.411 248 L N -0.602 120.772 121.223 0.252 0.000 2.093 248 L HA -0.087 4.251 4.340 -0.004 0.000 0.208 248 L C 2.692 179.693 176.870 0.218 0.000 1.085 248 L CA 1.213 56.207 54.840 0.256 0.000 0.755 248 L CB -1.101 41.131 42.059 0.289 0.000 0.904 248 L HN 0.392 nan 8.230 nan 0.000 0.435 249 G N -0.468 108.470 108.800 0.230 0.000 2.422 249 G HA2 -0.248 3.709 3.960 -0.004 0.000 0.218 249 G HA3 -0.248 3.709 3.960 -0.004 0.000 0.218 249 G C 1.638 176.637 174.900 0.164 0.000 1.146 249 G CA 0.594 45.801 45.100 0.178 0.000 0.769 249 G HN 0.185 nan 8.290 nan 0.000 0.547 250 M N 0.708 120.409 119.600 0.168 0.000 2.099 250 M HA 0.019 4.497 4.480 -0.004 0.000 0.262 250 M C 3.085 179.478 176.300 0.154 0.000 1.067 250 M CA 1.404 56.794 55.300 0.151 0.000 1.124 250 M CB -0.242 32.479 32.600 0.202 0.000 1.353 250 M HN 0.306 nan 8.290 nan 0.000 0.410 251 A N -0.551 122.375 122.820 0.178 0.000 1.902 251 A HA -0.235 4.083 4.320 -0.004 0.000 0.217 251 A C 2.049 179.691 177.584 0.096 0.000 1.181 251 A CA 1.792 53.924 52.037 0.158 0.000 0.623 251 A CB -1.234 17.904 19.000 0.229 0.000 0.818 251 A HN 0.569 nan 8.150 nan 0.000 0.443 252 H N 0.051 119.131 119.070 0.017 0.000 2.353 252 H HA -0.110 4.444 4.556 -0.004 0.000 0.300 252 H C 2.015 177.341 175.328 -0.004 0.000 1.090 252 H CA 2.115 58.140 56.048 -0.038 0.000 1.327 252 H CB -0.312 29.408 29.762 -0.070 0.000 1.383 252 H HN 0.422 nan 8.280 nan 0.000 0.508 253 T N 1.826 116.476 114.554 0.160 0.000 2.720 253 T HA -0.121 4.227 4.350 -0.004 0.000 0.268 253 T C 2.450 177.176 174.700 0.044 0.000 1.037 253 T CA 1.356 63.518 62.100 0.103 0.000 1.144 253 T CB -0.330 68.594 68.868 0.094 0.000 0.864 253 T HN 0.250 nan 8.240 nan 0.000 0.444 254 L N 0.591 121.852 121.223 0.064 0.000 2.131 254 L HA -0.074 4.264 4.340 -0.004 0.000 0.210 254 L C 2.577 179.533 176.870 0.144 0.000 1.092 254 L CA 0.760 55.665 54.840 0.109 0.000 0.759 254 L CB -0.601 41.543 42.059 0.142 0.000 0.903 254 L HN 0.166 nan 8.230 nan 0.000 0.435 255 V N -0.233 119.683 119.914 0.004 0.000 2.346 255 V HA -0.152 3.966 4.120 -0.004 0.000 0.244 255 V C 2.706 178.790 176.094 -0.017 0.000 1.037 255 V CA 1.581 63.882 62.300 0.001 0.000 1.029 255 V CB -0.590 31.119 31.823 -0.190 0.000 0.663 255 V HN 0.431 nan 8.190 nan 0.000 0.454 256 A N -0.207 122.515 122.820 -0.163 0.000 1.933 256 A HA -0.216 4.101 4.320 -0.004 0.000 0.218 256 A C 1.973 179.548 177.584 -0.016 0.000 1.175 256 A CA 1.776 53.739 52.037 -0.123 0.000 0.628 256 A CB -0.370 18.542 19.000 -0.147 0.000 0.814 256 A HN 0.655 nan 8.150 nan 0.000 0.444 257 E N -1.065 119.145 120.200 0.017 0.000 2.465 257 E HA 0.080 4.427 4.350 -0.004 0.000 0.191 257 E C -0.392 176.236 176.600 0.047 0.000 1.053 257 E CA 0.172 56.591 56.400 0.031 0.000 0.869 257 E CB 0.101 29.820 29.700 0.032 0.000 0.977 257 E HN 0.475 nan 8.360 nan 0.000 0.483 258 D N 0.297 120.745 120.400 0.080 0.000 2.708 258 D HA -0.198 4.440 4.640 -0.004 0.000 0.236 258 D C 0.211 176.540 176.300 0.048 0.000 1.146 258 D CA 0.460 54.510 54.000 0.084 0.000 0.662 258 D CB -1.055 39.763 40.800 0.030 0.000 1.059 258 D HN 0.282 nan 8.370 nan 0.000 0.428 259 L N -0.489 120.798 121.223 0.107 0.000 2.515 259 L HA 0.108 4.446 4.340 -0.004 0.000 0.223 259 L C 1.311 178.228 176.870 0.078 0.000 1.079 259 L CA -0.387 54.495 54.840 0.070 0.000 0.857 259 L CB -0.225 41.884 42.059 0.083 0.000 1.050 259 L HN 0.291 nan 8.230 nan 0.000 0.476 260 Y N -0.589 119.721 120.300 0.016 0.000 2.459 260 Y HA 0.106 4.654 4.550 -0.004 0.000 0.349 260 Y C 0.330 176.228 175.900 -0.003 0.000 1.266 260 Y CA -1.263 56.842 58.100 0.008 0.000 1.483 260 Y CB -0.108 38.356 38.460 0.007 0.000 1.362 260 Y HN -0.114 nan 8.280 nan 0.000 0.628 261 D N 2.335 122.752 120.400 0.028 0.000 2.435 261 D HA 0.066 4.704 4.640 -0.004 0.000 0.230 261 D C 0.285 176.535 176.300 -0.083 0.000 1.215 261 D CA 0.056 54.035 54.000 -0.035 0.000 0.947 261 D CB 0.434 41.271 40.800 0.061 0.000 1.048 261 D HN 0.735 nan 8.370 nan 0.000 0.512 262 K N 1.755 121.972 120.400 -0.306 0.000 2.148 262 K HA -0.100 4.218 4.320 -0.004 0.000 0.204 262 K C 1.070 177.638 176.600 -0.054 0.000 1.050 262 K CA 0.776 56.913 56.287 -0.249 0.000 0.942 262 K CB 0.424 32.743 32.500 -0.302 0.000 0.724 262 K HN 0.383 nan 8.250 nan 0.000 0.446 263 D N 0.427 120.820 120.400 -0.012 0.000 2.117 263 D HA -0.147 4.491 4.640 -0.004 0.000 0.198 263 D C 1.698 178.059 176.300 0.101 0.000 0.982 263 D CA 0.900 54.916 54.000 0.027 0.000 0.828 263 D CB -0.196 40.626 40.800 0.036 0.000 0.967 263 D HN 0.078 nan 8.370 nan 0.000 0.464 264 F N 1.737 121.731 119.950 0.073 0.000 2.102 264 F HA -0.193 4.332 4.527 -0.004 0.000 0.298 264 F C 2.173 178.078 175.800 0.176 0.000 1.105 264 F CA 0.998 59.114 58.000 0.195 0.000 1.239 264 F CB -0.054 38.994 39.000 0.080 0.000 0.991 264 F HN -0.181 nan 8.300 nan 0.000 0.474 265 I N 0.769 121.487 120.570 0.247 0.000 2.163 265 I HA -0.301 3.867 4.170 -0.004 0.000 0.243 265 I C 2.733 178.857 176.117 0.012 0.000 1.085 265 I CA 1.593 62.952 61.300 0.097 0.000 1.347 265 I CB -2.087 35.869 38.000 -0.074 0.000 1.044 265 I HN 0.256 nan 8.210 nan 0.000 0.408 266 A N 0.741 123.554 122.820 -0.012 0.000 1.930 266 A HA -0.170 4.148 4.320 -0.004 0.000 0.217 266 A C 2.027 179.533 177.584 -0.131 0.000 1.175 266 A CA 1.654 53.666 52.037 -0.041 0.000 0.627 266 A CB -0.466 18.509 19.000 -0.041 0.000 0.815 266 A HN 0.468 nan 8.150 nan 0.000 0.443 267 N N -2.293 116.248 118.700 -0.264 0.000 2.388 267 N HA 0.060 4.798 4.740 -0.004 0.000 0.176 267 N C 0.337 175.400 175.510 -0.746 0.000 1.062 267 N CA 0.836 53.570 53.050 -0.527 0.000 0.895 267 N CB 0.083 38.120 38.487 -0.750 0.000 1.018 267 N HN 0.618 nan 8.380 nan 0.000 0.456 268 Y N 0.011 120.050 120.300 -0.435 0.000 2.527 268 Y HA 0.194 4.742 4.550 -0.004 0.000 0.247 268 Y C 0.900 176.757 175.900 -0.071 0.000 1.138 268 Y CA -0.357 57.493 58.100 -0.417 0.000 1.228 268 Y CB 0.577 38.358 38.460 -1.131 0.000 1.252 268 Y HN -0.120 nan 8.280 nan 0.000 0.531 269 T N -3.109 111.487 114.554 0.070 0.000 2.916 269 T HA 0.691 5.039 4.350 -0.004 0.000 0.292 269 T C -0.550 174.237 174.700 0.145 0.000 1.064 269 T CA -0.932 61.267 62.100 0.166 0.000 1.011 269 T CB 2.225 71.218 68.868 0.209 0.000 1.152 269 T HN -0.115 nan 8.240 nan 0.000 0.510 270 S N -0.771 115.037 115.700 0.180 0.000 2.538 270 S HA 0.639 5.107 4.470 -0.004 0.000 0.288 270 S C 0.901 175.636 174.600 0.225 0.000 1.108 270 S CA 0.485 58.789 58.200 0.173 0.000 0.971 270 S CB 0.606 63.896 63.200 0.150 0.000 1.041 270 S HN 2.312 nan 8.310 nan 0.000 0.483 271 G N 3.353 112.279 108.800 0.210 0.000 2.157 271 G HA2 -0.258 3.699 3.960 -0.004 0.000 0.239 271 G HA3 -0.258 3.699 3.960 -0.004 0.000 0.239 271 G C 0.516 175.556 174.900 0.233 0.000 0.982 271 G CA 0.342 45.574 45.100 0.221 0.000 0.650 271 G HN 0.822 nan 8.290 nan 0.000 0.527 272 F N 2.569 122.594 119.950 0.124 0.000 2.171 272 F HA -0.035 4.490 4.527 -0.004 0.000 0.300 272 F C 2.459 178.329 175.800 0.118 0.000 1.090 272 F CA 2.265 60.352 58.000 0.146 0.000 1.293 272 F CB 0.068 39.156 39.000 0.148 0.000 1.013 272 F HN 0.358 nan 8.300 nan 0.000 0.486 273 D N -0.037 120.424 120.400 0.103 0.000 2.263 273 D HA -0.212 4.426 4.640 -0.004 0.000 0.208 273 D C 1.513 177.733 176.300 -0.133 0.000 0.971 273 D CA 1.159 55.142 54.000 -0.028 0.000 0.867 273 D CB -0.608 40.207 40.800 0.025 0.000 0.929 273 D HN 0.374 nan 8.370 nan 0.000 0.492 274 K N -0.959 119.356 120.400 -0.142 0.000 2.361 274 K HA 0.039 4.357 4.320 -0.004 0.000 0.196 274 K C 1.542 178.036 176.600 -0.177 0.000 1.039 274 K CA 0.021 56.177 56.287 -0.218 0.000 1.001 274 K CB 0.053 32.245 32.500 -0.514 0.000 0.795 274 K HN 0.099 nan 8.250 nan 0.000 0.495 275 F N 1.198 120.917 119.950 -0.385 0.000 2.387 275 F HA 0.033 4.558 4.527 -0.004 0.000 0.294 275 F C 1.695 177.184 175.800 -0.517 0.000 1.093 275 F CA 0.157 57.826 58.000 -0.552 0.000 1.420 275 F CB 0.019 38.734 39.000 -0.476 0.000 1.086 275 F HN -0.177 nan 8.300 nan 0.000 0.531 276 L N 1.751 122.569 121.223 -0.676 0.000 2.013 276 L HA -0.111 4.227 4.340 -0.004 0.000 0.212 276 L C -0.767 175.822 176.870 -0.468 0.000 1.073 276 L CA 2.326 56.774 54.840 -0.654 0.000 0.753 276 L CB -1.868 39.893 42.059 -0.496 0.000 0.890 276 L HN -0.003 nan 8.230 nan 0.000 0.432 277 P HA -0.229 nan 4.420 nan 0.000 0.216 277 P C 1.342 178.497 177.300 -0.241 0.000 1.150 277 P CA 1.447 64.408 63.100 -0.231 0.000 0.837 277 P CB -0.235 31.373 31.700 -0.153 0.000 0.786 278 Y N 0.382 120.422 120.300 -0.433 0.000 2.163 278 Y HA -0.125 4.423 4.550 -0.004 0.000 0.288 278 Y C 2.123 177.738 175.900 -0.475 0.000 1.136 278 Y CA 1.084 58.940 58.100 -0.407 0.000 1.147 278 Y CB -1.112 37.066 38.460 -0.469 0.000 0.987 278 Y HN -0.234 nan 8.280 nan 0.000 0.509 279 L N 0.637 121.391 121.223 -0.782 0.000 2.083 279 L HA -0.194 4.144 4.340 -0.004 0.000 0.209 279 L C 1.512 178.117 176.870 -0.441 0.000 1.083 279 L CA 2.217 56.617 54.840 -0.734 0.000 0.752 279 L CB -0.764 40.844 42.059 -0.751 0.000 0.899 279 L HN 0.190 nan 8.230 nan 0.000 0.433 280 D N -0.380 119.808 120.400 -0.353 0.000 2.355 280 D HA 0.139 4.777 4.640 -0.004 0.000 0.218 280 D C 1.580 177.743 176.300 -0.228 0.000 1.004 280 D CA 0.960 54.840 54.000 -0.199 0.000 0.880 280 D CB 0.071 40.764 40.800 -0.179 0.000 0.911 280 D HN 0.480 nan 8.370 nan 0.000 0.528 281 G N 1.390 109.992 108.800 -0.330 0.000 2.147 281 G HA2 -0.336 3.622 3.960 -0.004 0.000 0.244 281 G HA3 -0.336 3.622 3.960 -0.004 0.000 0.244 281 G C 0.865 175.655 174.900 -0.184 0.000 1.005 281 G CA 0.352 45.274 45.100 -0.297 0.000 0.713 281 G HN 0.360 nan 8.290 nan 0.000 0.515 282 E N -0.449 119.657 120.200 -0.157 0.000 2.152 282 E HA -0.063 4.284 4.350 -0.004 0.000 0.192 282 E C 2.649 179.205 176.600 -0.074 0.000 0.983 282 E CA 1.521 57.859 56.400 -0.104 0.000 0.818 282 E CB -0.070 29.571 29.700 -0.098 0.000 0.758 282 E HN 0.712 nan 8.360 nan 0.000 0.467 283 T N -0.803 113.714 114.554 -0.062 0.000 3.054 283 T HA -0.052 4.296 4.350 -0.004 0.000 0.259 283 T C 0.979 175.677 174.700 -0.004 0.000 1.092 283 T CA 1.041 63.136 62.100 -0.009 0.000 1.121 283 T CB 0.100 69.003 68.868 0.058 0.000 0.912 283 T HN 0.097 nan 8.240 nan 0.000 0.489 284 D N -0.879 119.497 120.400 -0.040 0.000 2.538 284 D HA 0.224 4.862 4.640 -0.004 0.000 0.241 284 D C 0.440 176.700 176.300 -0.067 0.000 1.297 284 D CA -0.088 53.892 54.000 -0.032 0.000 0.804 284 D CB -0.349 40.449 40.800 -0.005 0.000 1.122 284 D HN 0.192 nan 8.370 nan 0.000 0.519 285 S N -0.908 114.738 115.700 -0.091 0.000 3.476 285 S HA -0.135 4.332 4.470 -0.004 0.000 0.309 285 S C -0.066 174.455 174.600 -0.131 0.000 1.222 285 S CA 1.241 59.386 58.200 -0.093 0.000 0.922 285 S CB -1.936 61.231 63.200 -0.054 0.000 1.023 285 S HN 0.552 nan 8.310 nan 0.000 0.591 286 T N 2.017 116.444 114.554 -0.213 0.000 3.141 286 T HA 0.401 4.748 4.350 -0.004 0.000 0.377 286 T C -2.907 171.493 174.700 -0.501 0.000 1.258 286 T CA -1.150 60.760 62.100 -0.317 0.000 1.263 286 T CB 1.466 70.135 68.868 -0.332 0.000 1.066 286 T HN -0.098 nan 8.240 nan 0.000 0.546 287 P HA 0.077 nan 4.420 nan 0.000 0.262 287 P C 0.059 176.951 177.300 -0.680 0.000 1.182 287 P CA -0.364 62.472 63.100 -0.441 0.000 0.761 287 P CB 0.498 32.028 31.700 -0.282 0.000 0.795 288 K N 2.273 122.219 120.400 -0.757 0.000 3.006 288 K HA 0.117 4.435 4.320 -0.004 0.000 0.262 288 K C 0.660 176.990 176.600 -0.449 0.000 1.289 288 K CA 0.086 55.863 56.287 -0.850 0.000 1.245 288 K CB -1.224 30.789 32.500 -0.812 0.000 1.614 288 K HN 0.485 nan 8.250 nan 0.000 0.322 289 T N -3.032 111.208 114.554 -0.522 0.000 2.766 289 T HA 0.269 4.617 4.350 -0.004 0.000 0.295 289 T C 1.629 176.304 174.700 -0.043 0.000 1.024 289 T CA -0.101 61.700 62.100 -0.499 0.000 1.018 289 T CB 1.171 69.804 68.868 -0.392 0.000 1.002 289 T HN 0.221 nan 8.240 nan 0.000 0.532 290 A N 0.464 123.274 122.820 -0.017 0.000 1.933 290 A HA -0.059 4.259 4.320 -0.004 0.000 0.218 290 A C 2.201 179.780 177.584 -0.009 0.000 1.175 290 A CA 1.713 53.761 52.037 0.018 0.000 0.628 290 A CB -1.042 17.967 19.000 0.015 0.000 0.814 290 A HN 0.922 nan 8.150 nan 0.000 0.444 291 E N -1.305 118.888 120.200 -0.012 0.000 2.072 291 E HA -0.185 4.163 4.350 -0.004 0.000 0.191 291 E C 1.559 178.153 176.600 -0.010 0.000 0.985 291 E CA 1.328 57.715 56.400 -0.021 0.000 0.801 291 E CB -0.375 29.315 29.700 -0.017 0.000 0.750 291 E HN 0.872 nan 8.360 nan 0.000 0.452 292 W N 1.408 122.609 121.300 -0.165 0.000 2.355 292 W HA -0.174 4.484 4.660 -0.004 0.000 0.309 292 W C 2.230 178.632 176.519 -0.194 0.000 1.206 292 W CA 2.159 59.398 57.345 -0.177 0.000 1.284 292 W CB -0.418 28.915 29.460 -0.212 0.000 1.145 292 W HN 0.044 nan 8.180 nan 0.000 0.502 293 A N 0.190 122.868 122.820 -0.236 0.000 1.972 293 A HA -0.248 4.070 4.320 -0.004 0.000 0.219 293 A C 1.994 179.320 177.584 -0.429 0.000 1.169 293 A CA 1.926 53.653 52.037 -0.516 0.000 0.635 293 A CB -1.090 17.826 19.000 -0.141 0.000 0.810 293 A HN 0.591 nan 8.150 nan 0.000 0.446 294 E N -0.313 119.733 120.200 -0.257 0.000 2.077 294 E HA -0.113 4.235 4.350 -0.004 0.000 0.193 294 E C 2.027 178.483 176.600 -0.240 0.000 0.989 294 E CA 1.105 57.384 56.400 -0.203 0.000 0.800 294 E CB -0.499 29.125 29.700 -0.127 0.000 0.746 294 E HN 0.472 nan 8.360 nan 0.000 0.452 295 G N 0.932 109.564 108.800 -0.279 0.000 2.450 295 G HA2 -0.219 3.739 3.960 -0.004 0.000 0.220 295 G HA3 -0.219 3.739 3.960 -0.004 0.000 0.220 295 G C 1.543 176.254 174.900 -0.315 0.000 1.130 295 G CA 0.936 45.881 45.100 -0.259 0.000 0.760 295 G HN 0.280 nan 8.290 nan 0.000 0.557 296 I N 0.929 121.195 120.570 -0.506 0.000 2.429 296 I HA -0.054 4.113 4.170 -0.004 0.000 0.247 296 I C 2.966 178.882 176.117 -0.336 0.000 1.099 296 I CA 1.317 62.324 61.300 -0.488 0.000 1.422 296 I CB 0.039 37.496 38.000 -0.905 0.000 1.112 296 I HN 0.315 nan 8.210 nan 0.000 0.430 297 S N -0.058 115.437 115.700 -0.341 0.000 2.478 297 S HA 0.166 4.634 4.470 -0.004 0.000 0.222 297 S C 1.780 176.290 174.600 -0.151 0.000 1.008 297 S CA 0.591 58.662 58.200 -0.215 0.000 0.928 297 S CB 0.532 63.611 63.200 -0.201 0.000 0.781 297 S HN 0.568 nan 8.310 nan 0.000 0.518 298 G N 0.454 109.160 108.800 -0.157 0.000 2.199 298 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.254 298 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.254 298 G C 0.078 174.913 174.900 -0.109 0.000 0.982 298 G CA 0.115 45.144 45.100 -0.119 0.000 0.632 298 G HN 0.730 nan 8.290 nan 0.000 0.529 299 V N 2.747 122.591 119.914 -0.116 0.000 2.530 299 V HA 0.411 4.529 4.120 -0.004 0.000 0.282 299 V C -1.492 174.546 176.094 -0.094 0.000 1.048 299 V CA -1.378 60.861 62.300 -0.102 0.000 0.997 299 V CB 1.334 33.098 31.823 -0.099 0.000 0.987 299 V HN 0.119 nan 8.190 nan 0.000 0.477 300 P HA 0.044 nan 4.420 nan 0.000 0.262 300 P C 0.631 177.892 177.300 -0.065 0.000 1.182 300 P CA 0.247 63.305 63.100 -0.070 0.000 0.761 300 P CB 0.675 32.339 31.700 -0.060 0.000 0.795 301 A N 4.296 127.081 122.820 -0.059 0.000 1.927 301 A HA -0.256 4.061 4.320 -0.004 0.000 0.220 301 A C 2.035 179.595 177.584 -0.039 0.000 1.185 301 A CA 1.594 53.603 52.037 -0.046 0.000 0.639 301 A CB -0.958 18.020 19.000 -0.037 0.000 0.820 301 A HN 0.495 nan 8.150 nan 0.000 0.451 302 E N -0.682 119.494 120.200 -0.040 0.000 2.150 302 E HA -0.102 4.246 4.350 -0.004 0.000 0.193 302 E C 2.121 178.690 176.600 -0.051 0.000 0.985 302 E CA 1.494 57.871 56.400 -0.038 0.000 0.814 302 E CB -0.455 29.225 29.700 -0.033 0.000 0.752 302 E HN 0.641 nan 8.360 nan 0.000 0.466 303 T N 1.191 115.709 114.554 -0.060 0.000 2.777 303 T HA -0.042 4.305 4.350 -0.004 0.000 0.266 303 T C 2.098 176.741 174.700 -0.095 0.000 1.040 303 T CA 0.711 62.765 62.100 -0.077 0.000 1.141 303 T CB -0.101 68.721 68.868 -0.076 0.000 0.868 303 T HN 0.119 nan 8.240 nan 0.000 0.444 304 I N 0.901 121.426 120.570 -0.076 0.000 2.163 304 I HA -0.223 3.945 4.170 -0.004 0.000 0.243 304 I C 2.532 178.605 176.117 -0.072 0.000 1.085 304 I CA 1.473 62.734 61.300 -0.065 0.000 1.347 304 I CB -0.293 37.691 38.000 -0.028 0.000 1.044 304 I HN 0.199 nan 8.210 nan 0.000 0.408 305 K N 0.580 120.950 120.400 -0.050 0.000 2.057 305 K HA -0.196 4.122 4.320 -0.004 0.000 0.207 305 K C 2.018 178.568 176.600 -0.084 0.000 1.049 305 K CA 1.524 57.785 56.287 -0.042 0.000 0.931 305 K CB -0.198 32.292 32.500 -0.018 0.000 0.714 305 K HN 0.380 nan 8.250 nan 0.000 0.440 306 E N 0.522 120.663 120.200 -0.098 0.000 2.110 306 E HA -0.168 4.180 4.350 -0.004 0.000 0.193 306 E C 1.893 178.367 176.600 -0.209 0.000 0.988 306 E CA 0.657 56.988 56.400 -0.116 0.000 0.804 306 E CB 0.032 29.678 29.700 -0.091 0.000 0.745 306 E HN 0.068 nan 8.360 nan 0.000 0.458 307 L N 0.780 121.820 121.223 -0.304 0.000 2.046 307 L HA -0.129 4.209 4.340 -0.004 0.000 0.208 307 L C 2.336 178.680 176.870 -0.877 0.000 1.077 307 L CA 1.756 56.207 54.840 -0.648 0.000 0.747 307 L CB -1.286 40.403 42.059 -0.616 0.000 0.896 307 L HN 0.051 nan 8.230 nan 0.000 0.432 308 A N -0.458 122.096 122.820 -0.444 0.000 1.883 308 A HA -0.245 4.072 4.320 -0.004 0.000 0.217 308 A C 2.434 179.942 177.584 -0.126 0.000 1.186 308 A CA 1.795 53.701 52.037 -0.219 0.000 0.624 308 A CB -0.480 18.496 19.000 -0.041 0.000 0.822 308 A HN 0.392 nan 8.150 nan 0.000 0.444 309 R N -1.147 119.290 120.500 -0.106 0.000 2.091 309 R HA -0.112 4.225 4.340 -0.004 0.000 0.238 309 R C 2.160 178.442 176.300 -0.031 0.000 1.136 309 R CA 1.453 57.528 56.100 -0.042 0.000 0.959 309 R CB -0.596 29.681 30.300 -0.038 0.000 0.856 309 R HN 0.514 nan 8.270 nan 0.000 0.437 310 L N 0.206 121.373 121.223 -0.093 0.000 2.046 310 L HA -0.123 4.215 4.340 -0.004 0.000 0.208 310 L C 1.834 178.794 176.870 0.151 0.000 1.077 310 L CA 1.663 56.497 54.840 -0.010 0.000 0.747 310 L CB -0.322 41.708 42.059 -0.049 0.000 0.896 310 L HN -0.019 nan 8.230 nan 0.000 0.432 311 F N 0.152 120.114 119.950 0.020 0.000 2.171 311 F HA -0.156 4.369 4.527 -0.004 0.000 0.300 311 F C 2.614 178.424 175.800 0.016 0.000 1.090 311 F CA 1.362 59.376 58.000 0.023 0.000 1.293 311 F CB -1.181 37.849 39.000 0.050 0.000 1.013 311 F HN 0.268 nan 8.300 nan 0.000 0.486 312 E N 0.364 120.682 120.200 0.197 0.000 2.208 312 E HA -0.114 4.234 4.350 -0.004 0.000 0.193 312 E C 2.056 178.701 176.600 0.074 0.000 0.988 312 E CA 1.232 57.701 56.400 0.115 0.000 0.828 312 E CB -0.178 29.579 29.700 0.094 0.000 0.763 312 E HN 0.241 nan 8.360 nan 0.000 0.478 313 S N -1.168 114.574 115.700 0.070 0.000 2.535 313 S HA 0.199 4.666 4.470 -0.004 0.000 0.214 313 S C 0.524 175.149 174.600 0.041 0.000 0.980 313 S CA -0.423 57.803 58.200 0.044 0.000 0.907 313 S CB 0.285 63.505 63.200 0.032 0.000 0.790 313 S HN -0.128 nan 8.310 nan 0.000 0.510 314 K N 1.290 121.724 120.400 0.057 0.000 2.395 314 K HA 0.442 4.759 4.320 -0.004 0.000 0.247 314 K C -0.929 175.685 176.600 0.024 0.000 0.973 314 K CA -0.888 55.423 56.287 0.040 0.000 0.828 314 K CB 1.373 33.904 32.500 0.052 0.000 1.272 314 K HN 0.052 nan 8.250 nan 0.000 0.439 315 R N 0.945 121.446 120.500 0.001 0.000 2.345 315 R HA 0.133 4.471 4.340 -0.004 0.000 0.331 315 R C -0.879 175.396 176.300 -0.042 0.000 1.067 315 R CA 0.597 56.684 56.100 -0.022 0.000 0.962 315 R CB -0.489 29.795 30.300 -0.025 0.000 0.987 315 R HN 0.438 nan 8.270 nan 0.000 0.451 316 T N 5.505 120.023 114.554 -0.061 0.000 2.807 316 T HA 0.398 4.745 4.350 -0.004 0.000 0.279 316 T C -0.741 173.867 174.700 -0.153 0.000 0.993 316 T CA -0.594 61.433 62.100 -0.121 0.000 0.970 316 T CB 1.159 69.943 68.868 -0.140 0.000 0.950 316 T HN 0.508 nan 8.240 nan 0.000 0.441 317 M N 4.356 123.839 119.600 -0.195 0.000 2.167 317 M HA 0.497 4.974 4.480 -0.004 0.000 0.333 317 M C -1.683 174.498 176.300 -0.198 0.000 1.030 317 M CA -0.947 54.248 55.300 -0.176 0.000 0.963 317 M CB 0.316 32.784 32.600 -0.220 0.000 1.589 317 M HN 0.473 nan 8.290 nan 0.000 0.431 318 L N 5.540 126.718 121.223 -0.076 0.000 2.288 318 L HA 0.618 4.956 4.340 -0.004 0.000 0.283 318 L C -0.064 176.878 176.870 0.120 0.000 1.072 318 L CA -0.679 54.160 54.840 -0.003 0.000 0.862 318 L CB 0.478 42.574 42.059 0.061 0.000 1.245 318 L HN 0.901 nan 8.230 nan 0.000 0.432 319 A N 3.377 126.230 122.820 0.054 0.000 2.294 319 A HA 0.748 5.066 4.320 -0.004 0.000 0.316 319 A C 0.229 177.995 177.584 0.303 0.000 1.359 319 A CA -0.302 51.866 52.037 0.218 0.000 0.956 319 A CB 0.475 19.536 19.000 0.102 0.000 1.155 319 A HN 0.690 nan 8.150 nan 0.000 0.544 320 A N 2.534 125.547 122.820 0.322 0.000 2.324 320 A HA 0.808 5.126 4.320 -0.004 0.000 0.330 320 A C 0.648 178.314 177.584 0.136 0.000 1.165 320 A CA 0.065 52.285 52.037 0.305 0.000 0.813 320 A CB 0.887 20.088 19.000 0.336 0.000 1.197 320 A HN 1.322 nan 8.150 nan 0.000 0.484 321 G N -0.450 108.336 108.800 -0.023 0.000 2.568 321 G HA2 0.456 4.414 3.960 -0.004 0.000 0.293 321 G HA3 0.456 4.414 3.960 -0.004 0.000 0.293 321 G C -0.125 174.803 174.900 0.048 0.000 1.347 321 G CA -0.305 44.448 45.100 -0.578 0.000 1.039 321 G HN 0.738 nan 8.290 nan 0.000 0.523 322 W N -0.212 121.106 121.300 0.030 0.000 3.008 322 W HA 0.173 4.830 4.660 -0.004 0.000 0.355 322 W C 2.308 178.932 176.519 0.176 0.000 1.095 322 W CA 0.068 57.516 57.345 0.172 0.000 1.738 322 W CB -0.937 28.614 29.460 0.151 0.000 1.091 322 W HN 0.608 nan 8.180 nan 0.000 0.574 323 S N 1.222 117.109 115.700 0.312 0.000 2.382 323 S HA -0.264 4.204 4.470 -0.004 0.000 0.228 323 S C 1.800 176.556 174.600 0.260 0.000 1.027 323 S CA 1.615 59.979 58.200 0.272 0.000 0.991 323 S CB -0.909 62.428 63.200 0.227 0.000 0.823 323 S HN 0.370 nan 8.310 nan 0.000 0.469 324 M N 0.890 120.633 119.600 0.240 0.000 2.549 324 M HA 0.049 4.527 4.480 -0.004 0.000 0.260 324 M C 1.562 177.958 176.300 0.160 0.000 1.076 324 M CA 1.465 56.870 55.300 0.175 0.000 1.090 324 M CB -0.677 31.989 32.600 0.110 0.000 1.418 324 M HN 0.439 nan 8.290 nan 0.000 0.486 325 Q N 0.684 120.627 119.800 0.238 0.000 2.282 325 Q HA 0.201 4.539 4.340 -0.004 0.000 0.206 325 Q C 1.100 177.210 176.000 0.183 0.000 0.878 325 Q CA 0.188 56.121 55.803 0.217 0.000 0.944 325 Q CB -0.045 28.883 28.738 0.316 0.000 1.100 325 Q HN 0.570 nan 8.270 nan 0.000 0.509 326 R N 0.799 121.423 120.500 0.206 0.000 4.031 326 R HA 0.447 4.785 4.340 -0.004 0.000 0.269 326 R C -0.987 175.411 176.300 0.164 0.000 1.668 326 R CA 0.109 56.320 56.100 0.186 0.000 1.432 326 R CB -0.108 30.337 30.300 0.241 0.000 1.374 326 R HN 0.271 nan 8.270 nan 0.000 0.681 327 M N -1.202 118.482 119.600 0.141 0.000 2.773 327 M HA 0.157 4.635 4.480 -0.004 0.000 0.270 327 M C -0.839 175.534 176.300 0.122 0.000 1.238 327 M CA -0.894 54.490 55.300 0.139 0.000 0.832 327 M CB 2.184 34.883 32.600 0.166 0.000 1.672 327 M HN 0.159 nan 8.290 nan 0.000 0.480 328 H N 0.575 119.616 119.070 -0.048 0.000 3.034 328 H HA 0.026 4.580 4.556 -0.004 0.000 0.324 328 H C -0.422 174.779 175.328 -0.212 0.000 1.015 328 H CA 1.468 57.384 56.048 -0.221 0.000 1.429 328 H CB 0.251 29.827 29.762 -0.310 0.000 1.429 328 H HN 0.784 nan 8.280 nan 0.000 0.585 329 H N 0.940 119.946 119.070 -0.106 0.000 2.862 329 H HA -0.169 4.385 4.556 -0.004 0.000 0.290 329 H C 1.543 176.858 175.328 -0.023 0.000 1.211 329 H CA 0.157 56.116 56.048 -0.148 0.000 1.140 329 H CB -1.384 28.203 29.762 -0.291 0.000 1.341 329 H HN 0.909 nan 8.280 nan 0.000 0.392 330 G N 0.350 109.212 108.800 0.103 0.000 2.470 330 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.220 330 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.220 330 G C 1.362 176.337 174.900 0.125 0.000 1.121 330 G CA 1.146 46.316 45.100 0.115 0.000 0.766 330 G HN 0.478 nan 8.290 nan 0.000 0.553 331 E N 0.532 120.803 120.200 0.118 0.000 2.160 331 E HA -0.122 4.226 4.350 -0.004 0.000 0.195 331 E C 2.675 179.399 176.600 0.206 0.000 0.991 331 E CA 1.034 57.511 56.400 0.128 0.000 0.810 331 E CB -0.072 29.686 29.700 0.098 0.000 0.742 331 E HN 0.349 nan 8.360 nan 0.000 0.466 332 Q N -0.027 119.884 119.800 0.185 0.000 2.167 332 Q HA -0.030 4.308 4.340 -0.004 0.000 0.202 332 Q C 2.218 178.285 176.000 0.112 0.000 0.970 332 Q CA 1.278 57.188 55.803 0.177 0.000 0.855 332 Q CB -0.418 28.374 28.738 0.090 0.000 0.911 332 Q HN 0.335 nan 8.270 nan 0.000 0.438 333 A N 0.954 123.798 122.820 0.040 0.000 1.865 333 A HA -0.223 4.095 4.320 -0.004 0.000 0.217 333 A C 1.683 179.113 177.584 -0.257 0.000 1.191 333 A CA 1.899 53.853 52.037 -0.138 0.000 0.623 333 A CB -0.898 17.961 19.000 -0.235 0.000 0.826 333 A HN 0.456 nan 8.150 nan 0.000 0.444 334 H N -3.603 115.480 119.070 0.021 0.000 2.512 334 H HA -0.053 4.501 4.556 -0.004 0.000 0.279 334 H C 1.617 176.947 175.328 0.004 0.000 0.999 334 H CA 0.902 56.933 56.048 -0.028 0.000 1.283 334 H CB -0.030 29.731 29.762 -0.002 0.000 1.421 334 H HN 0.720 nan 8.280 nan 0.000 0.554 335 W N 1.154 122.420 121.300 -0.056 0.000 2.379 335 W HA -0.171 4.487 4.660 -0.003 0.000 0.307 335 W C 2.108 178.538 176.519 -0.149 0.000 1.200 335 W CA 1.221 58.505 57.345 -0.101 0.000 1.297 335 W CB -0.580 28.834 29.460 -0.078 0.000 1.140 335 W HN 0.190 nan 8.180 nan 0.000 0.507 336 M N 0.110 119.723 119.600 0.020 0.000 2.229 336 M HA -0.104 4.374 4.480 -0.004 0.000 0.264 336 M C 2.097 178.312 176.300 -0.141 0.000 1.063 336 M CA 1.501 56.731 55.300 -0.117 0.000 1.114 336 M CB -1.136 31.430 32.600 -0.057 0.000 1.387 336 M HN 0.006 nan 8.290 nan 0.000 0.420 337 L N -0.806 120.300 121.223 -0.195 0.000 2.046 337 L HA -0.125 4.213 4.340 -0.004 0.000 0.208 337 L C 2.057 178.765 176.870 -0.269 0.000 1.077 337 L CA 1.474 56.148 54.840 -0.276 0.000 0.747 337 L CB -0.570 41.301 42.059 -0.312 0.000 0.896 337 L HN 0.161 nan 8.230 nan 0.000 0.432 338 V N -0.905 118.820 119.914 -0.314 0.000 2.515 338 V HA -0.253 3.865 4.120 -0.004 0.000 0.250 338 V C 2.438 178.420 176.094 -0.186 0.000 1.058 338 V CA 2.073 64.108 62.300 -0.442 0.000 1.064 338 V CB -0.745 30.818 31.823 -0.433 0.000 0.675 338 V HN 0.545 nan 8.190 nan 0.000 0.461 339 T N 0.458 114.944 114.554 -0.113 0.000 2.708 339 T HA -0.175 4.172 4.350 -0.004 0.000 0.266 339 T C 1.892 176.568 174.700 -0.039 0.000 1.037 339 T CA 1.824 63.865 62.100 -0.097 0.000 1.146 339 T CB -0.303 68.395 68.868 -0.284 0.000 0.865 339 T HN 0.323 nan 8.240 nan 0.000 0.435 340 L N 1.493 122.692 121.223 -0.040 0.000 2.046 340 L HA 0.078 4.416 4.340 -0.004 0.000 0.208 340 L C 2.596 179.473 176.870 0.011 0.000 1.077 340 L CA 1.915 56.773 54.840 0.031 0.000 0.747 340 L CB -0.988 41.104 42.059 0.055 0.000 0.896 340 L HN 0.217 nan 8.230 nan 0.000 0.432 341 A N -1.418 121.372 122.820 -0.050 0.000 1.940 341 A HA -0.199 4.119 4.320 -0.004 0.000 0.219 341 A C 2.385 179.893 177.584 -0.128 0.000 1.176 341 A CA 2.018 54.020 52.037 -0.059 0.000 0.631 341 A CB -0.935 18.046 19.000 -0.032 0.000 0.814 341 A HN 0.550 nan 8.150 nan 0.000 0.446 342 S N -0.480 115.169 115.700 -0.084 0.000 2.383 342 S HA -0.133 4.335 4.470 -0.004 0.000 0.227 342 S C 1.964 176.530 174.600 -0.057 0.000 1.026 342 S CA 1.718 59.886 58.200 -0.054 0.000 0.981 342 S CB -0.381 62.931 63.200 0.187 0.000 0.818 342 S HN 0.600 nan 8.310 nan 0.000 0.472 343 M N 0.766 120.368 119.600 0.002 0.000 2.213 343 M HA -0.021 4.457 4.480 -0.004 0.000 0.263 343 M C 1.714 178.049 176.300 0.058 0.000 1.062 343 M CA 1.190 56.524 55.300 0.057 0.000 1.105 343 M CB -0.519 32.122 32.600 0.067 0.000 1.385 343 M HN 0.253 nan 8.290 nan 0.000 0.417 344 L N -0.686 120.529 121.223 -0.015 0.000 2.217 344 L HA 0.031 4.369 4.340 -0.004 0.000 0.211 344 L C 1.574 178.366 176.870 -0.131 0.000 1.107 344 L CA 0.732 55.559 54.840 -0.022 0.000 0.783 344 L CB -0.796 41.262 42.059 -0.001 0.000 0.919 344 L HN 0.603 nan 8.230 nan 0.000 0.442 345 G N -0.001 108.584 108.800 -0.359 0.000 2.143 345 G HA2 -0.305 3.653 3.960 -0.004 0.000 0.248 345 G HA3 -0.305 3.653 3.960 -0.004 0.000 0.248 345 G C 0.589 175.177 174.900 -0.520 0.000 0.991 345 G CA 0.461 45.206 45.100 -0.592 0.000 0.689 345 G HN 0.515 nan 8.290 nan 0.000 0.522 346 Q N -0.727 118.825 119.800 -0.413 0.000 2.219 346 Q HA 0.401 4.739 4.340 -0.004 0.000 0.209 346 Q C 1.126 176.988 176.000 -0.230 0.000 0.854 346 Q CA -0.335 55.322 55.803 -0.243 0.000 0.960 346 Q CB 0.899 29.555 28.738 -0.137 0.000 1.116 346 Q HN 0.683 nan 8.270 nan 0.000 0.500 347 I N 1.289 121.648 120.570 -0.352 0.000 2.741 347 I HA -0.069 4.099 4.170 -0.004 0.000 0.288 347 I C 1.206 177.295 176.117 -0.047 0.000 1.192 347 I CA 1.120 62.323 61.300 -0.161 0.000 1.426 347 I CB 0.348 38.275 38.000 -0.122 0.000 1.367 347 I HN 0.490 nan 8.210 nan 0.000 0.563 348 G N 5.179 113.985 108.800 0.010 0.000 2.195 348 G HA2 -0.235 3.723 3.960 -0.004 0.000 0.246 348 G HA3 -0.235 3.723 3.960 -0.004 0.000 0.246 348 G C 0.071 174.953 174.900 -0.030 0.000 0.984 348 G CA -0.500 44.624 45.100 0.039 0.000 0.633 348 G HN 0.456 nan 8.290 nan 0.000 0.525 349 L N 1.639 122.829 121.223 -0.055 0.000 2.357 349 L HA 0.454 4.792 4.340 -0.004 0.000 0.273 349 L C -1.828 175.005 176.870 -0.062 0.000 1.080 349 L CA -2.291 52.517 54.840 -0.054 0.000 0.803 349 L CB 1.106 43.132 42.059 -0.056 0.000 1.174 349 L HN -0.141 nan 8.230 nan 0.000 0.443 350 P HA 0.038 nan 4.420 nan 0.000 0.262 350 P C 0.706 177.977 177.300 -0.049 0.000 1.199 350 P CA 0.603 63.671 63.100 -0.053 0.000 0.763 350 P CB 0.554 32.234 31.700 -0.032 0.000 0.790 351 G N 2.186 110.951 108.800 -0.058 0.000 2.184 351 G HA2 -0.141 3.817 3.960 -0.004 0.000 0.264 351 G HA3 -0.141 3.817 3.960 -0.004 0.000 0.264 351 G C 0.475 175.328 174.900 -0.078 0.000 0.975 351 G CA -0.121 44.941 45.100 -0.063 0.000 0.642 351 G HN 0.903 nan 8.290 nan 0.000 0.536 352 G N -1.945 106.809 108.800 -0.077 0.000 2.644 352 G HA2 0.919 4.877 3.960 -0.004 0.000 0.307 352 G HA3 0.919 4.877 3.960 -0.004 0.000 0.307 352 G C 0.741 175.591 174.900 -0.083 0.000 1.250 352 G CA 0.902 45.953 45.100 -0.082 0.000 0.996 352 G HN 1.890 nan 8.290 nan 0.000 0.489 353 G N -0.989 107.770 108.800 -0.068 0.000 2.516 353 G HA2 0.402 4.360 3.960 -0.004 0.000 0.220 353 G HA3 0.402 4.360 3.960 -0.004 0.000 0.220 353 G C -0.304 174.655 174.900 0.100 0.000 1.165 353 G CA 0.356 45.447 45.100 -0.016 0.000 1.013 353 G HN 2.107 nan 8.290 nan 0.000 0.590 354 F N -1.019 118.923 119.950 -0.014 0.000 2.662 354 F HA 0.858 5.383 4.527 -0.004 0.000 0.312 354 F C 0.042 175.900 175.800 0.096 0.000 1.113 354 F CA -0.502 57.516 58.000 0.030 0.000 0.951 354 F CB 1.596 40.606 39.000 0.016 0.000 1.344 354 F HN 1.562 nan 8.300 nan 0.000 0.462 355 G N 1.168 110.092 108.800 0.206 0.000 2.753 355 G HA2 0.522 4.480 3.960 -0.004 0.000 0.295 355 G HA3 0.522 4.480 3.960 -0.004 0.000 0.295 355 G C -1.205 173.827 174.900 0.221 0.000 1.437 355 G CA -0.884 44.243 45.100 0.045 0.000 1.094 355 G HN 0.863 nan 8.290 nan 0.000 0.540 356 L N 1.167 122.503 121.223 0.189 0.000 2.769 356 L HA 0.337 4.675 4.340 -0.004 0.000 0.240 356 L C 1.445 178.545 176.870 0.383 0.000 1.163 356 L CA 0.094 55.139 54.840 0.342 0.000 0.962 356 L CB 1.076 43.342 42.059 0.346 0.000 1.258 356 L HN 0.509 nan 8.230 nan 0.000 0.513 357 S N -1.562 114.189 115.700 0.085 0.000 3.025 357 S HA 0.216 4.684 4.470 -0.004 0.000 0.251 357 S C 0.704 175.214 174.600 -0.150 0.000 0.954 357 S CA -0.383 57.817 58.200 -0.001 0.000 1.092 357 S CB 0.100 63.367 63.200 0.111 0.000 1.079 357 S HN 0.264 nan 8.310 nan 0.000 0.543 358 Y N 1.486 121.850 120.300 0.107 0.000 2.516 358 Y HA 0.064 4.611 4.550 -0.003 0.000 0.291 358 Y C 2.331 178.382 175.900 0.252 0.000 1.131 358 Y CA 1.246 59.421 58.100 0.126 0.000 1.281 358 Y CB -0.083 38.456 38.460 0.131 0.000 1.013 358 Y HN 0.647 nan 8.280 nan 0.000 0.554 359 H N -3.158 116.023 119.070 0.185 0.000 2.551 359 H HA 0.105 4.658 4.556 -0.004 0.000 0.271 359 H C -0.725 174.644 175.328 0.069 0.000 0.984 359 H CA -0.035 56.055 56.048 0.070 0.000 1.164 359 H CB -0.472 29.258 29.762 -0.054 0.000 1.437 359 H HN 0.288 nan 8.280 nan 0.000 0.550 360 Y N 1.353 121.321 120.300 -0.554 0.000 2.361 360 Y HA 0.391 4.938 4.550 -0.004 0.000 0.337 360 Y C 0.220 176.192 175.900 0.120 0.000 0.965 360 Y CA -0.829 57.097 58.100 -0.291 0.000 1.091 360 Y CB 1.509 39.672 38.460 -0.496 0.000 1.182 360 Y HN 0.169 nan 8.280 nan 0.000 0.450 361 S N 4.027 119.488 115.700 -0.399 0.000 3.521 361 S HA -0.210 4.257 4.470 -0.004 0.000 0.362 361 S C 1.019 175.706 174.600 0.146 0.000 1.044 361 S CA 1.516 59.576 58.200 -0.232 0.000 1.091 361 S CB -1.801 61.049 63.200 -0.584 0.000 0.908 361 S HN 2.111 nan 8.310 nan 0.000 0.473 362 G N -0.426 108.487 108.800 0.189 0.000 2.160 362 G HA2 -0.117 3.841 3.960 -0.004 0.000 0.251 362 G HA3 -0.117 3.841 3.960 -0.004 0.000 0.251 362 G C 0.386 175.460 174.900 0.289 0.000 1.008 362 G CA 0.185 45.455 45.100 0.283 0.000 0.724 362 G HN 1.610 nan 8.290 nan 0.000 0.514 363 G N -1.252 107.605 108.800 0.095 0.000 2.265 363 G HA2 0.501 4.459 3.960 -0.004 0.000 0.240 363 G HA3 0.501 4.459 3.960 -0.004 0.000 0.240 363 G C 1.452 176.211 174.900 -0.237 0.000 1.270 363 G CA 1.565 46.373 45.100 -0.487 0.000 0.901 363 G HN 1.906 nan 8.290 nan 0.000 0.507 364 G N 1.429 110.055 108.800 -0.290 0.000 2.232 364 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.226 364 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.226 364 G C 0.638 175.630 174.900 0.154 0.000 0.996 364 G CA 0.354 45.327 45.100 -0.211 0.000 0.626 364 G HN 1.120 nan 8.290 nan 0.000 0.509 365 T N 4.212 118.958 114.554 0.319 0.000 2.834 365 T HA 0.464 4.811 4.350 -0.004 0.000 0.298 365 T C -2.136 172.703 174.700 0.232 0.000 0.966 365 T CA -0.303 62.017 62.100 0.367 0.000 1.141 365 T CB 1.356 70.417 68.868 0.322 0.000 0.905 365 T HN 0.129 nan 8.240 nan 0.000 0.535 366 P HA 0.045 nan 4.420 nan 0.000 0.260 366 P C -0.362 177.016 177.300 0.130 0.000 1.172 366 P CA 0.148 63.343 63.100 0.158 0.000 0.760 366 P CB 0.284 32.079 31.700 0.159 0.000 0.773 367 S N 1.578 117.326 115.700 0.081 0.000 2.580 367 S HA 0.323 4.791 4.470 -0.004 0.000 0.274 367 S C 0.831 175.475 174.600 0.074 0.000 1.329 367 S CA -0.425 57.815 58.200 0.067 0.000 1.036 367 S CB 0.170 63.367 63.200 -0.005 0.000 0.919 367 S HN 0.588 nan 8.310 nan 0.000 0.515 368 T N -0.844 113.768 114.554 0.097 0.000 2.814 368 T HA 0.333 4.681 4.350 -0.004 0.000 0.284 368 T C 1.007 175.730 174.700 0.038 0.000 0.998 368 T CA -0.330 61.835 62.100 0.108 0.000 0.935 368 T CB 0.668 69.664 68.868 0.213 0.000 1.167 368 T HN 0.502 nan 8.240 nan 0.000 0.545 369 S N -1.378 114.333 115.700 0.017 0.000 2.572 369 S HA 0.385 4.852 4.470 -0.004 0.000 0.228 369 S C 1.073 175.561 174.600 -0.186 0.000 0.963 369 S CA -0.510 57.656 58.200 -0.056 0.000 0.939 369 S CB -0.612 62.571 63.200 -0.028 0.000 0.804 369 S HN 1.097 nan 8.310 nan 0.000 0.480 370 G N 2.996 111.603 108.800 -0.321 0.000 2.634 370 G HA2 0.482 4.440 3.960 -0.004 0.000 0.255 370 G HA3 0.482 4.440 3.960 -0.004 0.000 0.255 370 G C -2.415 172.098 174.900 -0.645 0.000 1.205 370 G CA -1.302 43.223 45.100 -0.958 0.000 0.884 370 G HN 0.296 nan 8.290 nan 0.000 0.549 371 P HA 0.396 nan 4.420 nan 0.000 0.276 371 P C -0.473 176.683 177.300 -0.240 0.000 1.252 371 P CA -0.232 62.650 63.100 -0.364 0.000 0.802 371 P CB 1.190 32.699 31.700 -0.318 0.000 1.035 372 A N 1.476 124.208 122.820 -0.147 0.000 2.327 372 A HA 0.465 4.783 4.320 -0.004 0.000 0.283 372 A C -0.434 177.106 177.584 -0.073 0.000 1.127 372 A CA -0.487 51.497 52.037 -0.089 0.000 0.810 372 A CB -0.127 18.825 19.000 -0.081 0.000 1.066 372 A HN 0.557 nan 8.150 nan 0.000 0.492 373 L N 2.149 123.345 121.223 -0.044 0.000 2.307 373 L HA 0.738 5.075 4.340 -0.004 0.000 0.282 373 L C 0.337 177.153 176.870 -0.090 0.000 1.051 373 L CA 0.192 55.008 54.840 -0.041 0.000 0.804 373 L CB 1.213 43.274 42.059 0.004 0.000 1.197 373 L HN 0.865 nan 8.230 nan 0.000 0.431 374 A N 2.899 125.648 122.820 -0.119 0.000 2.288 374 A HA 0.971 5.289 4.320 -0.004 0.000 0.328 374 A C -0.120 177.148 177.584 -0.527 0.000 1.123 374 A CA 0.065 51.974 52.037 -0.214 0.000 0.861 374 A CB 1.175 20.098 19.000 -0.129 0.000 1.272 374 A HN 0.940 nan 8.150 nan 0.000 0.490 375 G N -1.135 107.257 108.800 -0.680 0.000 2.975 375 G HA2 0.516 4.474 3.960 -0.004 0.000 0.291 375 G HA3 0.516 4.474 3.960 -0.004 0.000 0.291 375 G C -0.798 173.599 174.900 -0.838 0.000 1.334 375 G CA -0.682 43.657 45.100 -1.268 0.000 0.843 375 G HN 0.908 nan 8.290 nan 0.000 0.548 376 I N 0.953 121.135 120.570 -0.647 0.000 2.813 376 I HA 0.377 4.545 4.170 -0.004 0.000 0.287 376 I C 1.091 177.041 176.117 -0.278 0.000 1.196 376 I CA 0.150 61.239 61.300 -0.351 0.000 1.421 376 I CB 1.115 38.818 38.000 -0.496 0.000 1.365 376 I HN 0.698 nan 8.210 nan 0.000 0.591 377 T N 1.268 115.699 114.554 -0.205 0.000 2.940 377 T HA 0.351 4.699 4.350 -0.004 0.000 0.288 377 T C 0.307 174.909 174.700 -0.163 0.000 1.045 377 T CA -0.269 61.740 62.100 -0.152 0.000 1.018 377 T CB 1.489 70.306 68.868 -0.086 0.000 1.151 377 T HN 0.649 nan 8.240 nan 0.000 0.529 378 D N -1.254 119.071 120.400 -0.125 0.000 2.355 378 D HA 0.245 4.882 4.640 -0.004 0.000 0.218 378 D C 1.700 177.958 176.300 -0.069 0.000 1.004 378 D CA 0.590 54.519 54.000 -0.118 0.000 0.880 378 D CB -0.599 40.144 40.800 -0.095 0.000 0.911 378 D HN 1.173 nan 8.370 nan 0.000 0.528 379 G N -0.290 108.477 108.800 -0.054 0.000 2.205 379 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.261 379 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.261 379 G C 1.366 176.262 174.900 -0.007 0.000 0.980 379 G CA 0.435 45.522 45.100 -0.022 0.000 0.632 379 G HN 0.672 nan 8.290 nan 0.000 0.533 380 G N 0.815 109.612 108.800 -0.005 0.000 2.469 380 G HA2 0.124 4.082 3.960 -0.004 0.000 0.220 380 G HA3 0.124 4.082 3.960 -0.004 0.000 0.220 380 G C 1.814 176.704 174.900 -0.016 0.000 1.136 380 G CA 2.409 47.506 45.100 -0.005 0.000 0.759 380 G HN 1.720 nan 8.290 nan 0.000 0.562 381 A N -0.295 122.514 122.820 -0.019 0.000 2.235 381 A HA 0.635 4.953 4.320 -0.004 0.000 0.208 381 A C 1.610 179.186 177.584 -0.013 0.000 1.172 381 A CA 1.297 53.321 52.037 -0.021 0.000 0.786 381 A CB 0.023 19.008 19.000 -0.025 0.000 0.804 381 A HN 1.002 nan 8.150 nan 0.000 0.479 382 A N -0.138 122.678 122.820 -0.006 0.000 3.176 382 A HA 0.533 4.850 4.320 -0.004 0.000 0.265 382 A C 0.674 178.261 177.584 0.004 0.000 0.936 382 A CA 0.455 52.492 52.037 -0.001 0.000 1.033 382 A CB -0.455 18.547 19.000 0.003 0.000 1.158 382 A HN 0.453 nan 8.150 nan 0.000 0.485 383 T N -2.555 112.001 114.554 0.003 0.000 1.559 383 T HA 0.636 4.984 4.350 -0.004 0.000 0.177 383 T C -0.193 174.513 174.700 0.009 0.000 0.688 383 T CA -0.175 61.930 62.100 0.009 0.000 1.094 383 T CB 0.674 69.548 68.868 0.011 0.000 3.358 383 T HN 0.176 nan 8.240 nan 0.000 0.413 384 K N 1.103 121.510 120.400 0.011 0.000 0.972 384 K HA 0.089 4.407 4.320 -0.004 0.000 1.032 384 K C 0.170 176.784 176.600 0.024 0.000 0.675 384 K CA 0.189 56.485 56.287 0.015 0.000 0.760 384 K CB -0.857 31.652 32.500 0.016 0.000 3.444 384 K HN 0.867 nan 8.250 nan 0.000 0.136 385 G N 2.029 110.843 108.800 0.022 0.000 2.467 385 G HA2 0.346 4.303 3.960 -0.004 0.000 0.243 385 G HA3 0.346 4.303 3.960 -0.004 0.000 0.243 385 G C -2.035 172.908 174.900 0.071 0.000 1.521 385 G CA -0.309 44.813 45.100 0.037 0.000 1.055 385 G HN 0.191 nan 8.290 nan 0.000 0.553 386 P HA 0.195 nan 4.420 nan 0.000 0.269 386 P C -0.541 176.868 177.300 0.181 0.000 1.215 386 P CA -0.022 63.184 63.100 0.176 0.000 0.780 386 P CB 0.656 32.564 31.700 0.348 0.000 0.898 387 E N 1.151 121.414 120.200 0.105 0.000 2.001 387 E HA 0.104 4.452 4.350 -0.004 0.000 0.279 387 E C -0.878 175.785 176.600 0.105 0.000 1.045 387 E CA -0.171 56.284 56.400 0.091 0.000 0.833 387 E CB 0.456 30.176 29.700 0.034 0.000 1.077 387 E HN 0.442 nan 8.360 nan 0.000 0.397 388 W N 4.782 126.070 121.300 -0.020 0.000 2.647 388 W HA 0.548 5.206 4.660 -0.004 0.000 0.353 388 W C -0.841 175.670 176.519 -0.014 0.000 1.080 388 W CA -0.670 56.664 57.345 -0.018 0.000 1.208 388 W CB 1.486 30.929 29.460 -0.030 0.000 1.396 388 W HN 0.420 nan 8.180 nan 0.000 0.573 389 L N 1.116 122.502 121.223 0.271 0.000 2.731 389 L HA 0.700 5.037 4.340 -0.004 0.000 0.256 389 L C -0.546 176.422 176.870 0.164 0.000 0.947 389 L CA -0.978 53.973 54.840 0.185 0.000 0.914 389 L CB 0.466 42.569 42.059 0.073 0.000 1.470 389 L HN 0.466 nan 8.230 nan 0.000 0.421 390 A N 2.189 125.087 122.820 0.129 0.000 2.614 390 A HA 0.496 4.814 4.320 -0.004 0.000 0.231 390 A C 0.977 178.595 177.584 0.056 0.000 1.076 390 A CA 1.121 53.213 52.037 0.091 0.000 0.767 390 A CB -0.818 18.207 19.000 0.042 0.000 1.012 390 A HN 2.809 nan 8.150 nan 0.000 0.512 391 A N 0.472 123.321 122.820 0.048 0.000 2.435 391 A HA 0.430 4.748 4.320 -0.004 0.000 0.686 391 A C 1.144 178.734 177.584 0.010 0.000 0.138 391 A CA 0.552 52.603 52.037 0.023 0.000 0.024 391 A CB -1.885 17.117 19.000 0.004 0.000 3.974 391 A HN 2.837 nan 8.150 nan 0.000 0.548 392 S N -1.017 114.686 115.700 0.004 0.000 2.608 392 S HA 0.172 4.640 4.470 -0.004 0.000 0.256 392 S C 1.962 176.621 174.600 0.098 0.000 1.270 392 S CA 1.898 60.081 58.200 -0.028 0.000 1.465 392 S CB -2.295 60.773 63.200 -0.220 0.000 1.833 392 S HN 3.352 nan 8.310 nan 0.000 0.641 393 G N 1.376 110.282 108.800 0.175 0.000 2.733 393 G HA2 0.366 4.323 3.960 -0.004 0.000 0.686 393 G HA3 0.366 4.323 3.960 -0.004 0.000 0.686 393 G C -0.023 175.141 174.900 0.439 0.000 1.373 393 G CA 0.017 45.279 45.100 0.270 0.000 0.838 393 G HN 1.890 nan 8.290 nan 0.000 0.588 394 A N 0.466 123.470 122.820 0.306 0.000 2.609 394 A HA 0.507 4.825 4.320 -0.004 0.000 0.232 394 A C 1.824 179.496 177.584 0.147 0.000 1.041 394 A CA 1.496 53.646 52.037 0.188 0.000 0.753 394 A CB 0.042 19.137 19.000 0.158 0.000 0.966 394 A HN 2.397 nan 8.150 nan 0.000 0.510 395 S N 0.299 115.782 115.700 -0.362 0.000 2.528 395 S HA 0.291 4.759 4.470 -0.004 0.000 0.219 395 S C 0.280 174.671 174.600 -0.348 0.000 0.985 395 S CA 0.526 58.251 58.200 -0.793 0.000 0.914 395 S CB -0.250 61.876 63.200 -1.790 0.000 0.776 395 S HN 0.703 nan 8.310 nan 0.000 0.526 396 V N 2.515 122.331 119.914 -0.165 0.000 2.760 396 V HA 0.611 4.729 4.120 -0.004 0.000 0.309 396 V C -0.542 175.565 176.094 0.021 0.000 1.077 396 V CA -1.111 61.143 62.300 -0.077 0.000 0.910 396 V CB 1.770 33.510 31.823 -0.138 0.000 1.008 396 V HN 0.509 nan 8.190 nan 0.000 0.424 397 I N 1.632 122.223 120.570 0.036 0.000 2.785 397 I HA 0.769 4.937 4.170 -0.004 0.000 0.302 397 I C -2.869 173.153 176.117 -0.158 0.000 1.069 397 I CA -2.925 58.343 61.300 -0.053 0.000 1.045 397 I CB 2.341 40.327 38.000 -0.023 0.000 1.236 397 I HN 0.340 nan 8.210 nan 0.000 0.429 398 P HA 0.004 nan 4.420 nan 0.000 0.264 398 P C 1.217 178.417 177.300 -0.166 0.000 1.193 398 P CA -0.351 62.577 63.100 -0.286 0.000 0.763 398 P CB 0.835 32.361 31.700 -0.291 0.000 0.810 399 V N 2.202 122.036 119.914 -0.132 0.000 2.324 399 V HA -0.297 3.820 4.120 -0.004 0.000 0.250 399 V C 1.820 177.845 176.094 -0.115 0.000 1.060 399 V CA 2.207 64.470 62.300 -0.062 0.000 1.042 399 V CB -2.131 29.624 31.823 -0.114 0.000 0.650 399 V HN 0.517 nan 8.190 nan 0.000 0.450 400 A N -0.157 122.487 122.820 -0.294 0.000 2.235 400 A HA 0.117 4.435 4.320 -0.004 0.000 0.208 400 A C 1.947 179.531 177.584 0.000 0.000 1.172 400 A CA 0.377 52.321 52.037 -0.156 0.000 0.786 400 A CB -0.412 18.382 19.000 -0.342 0.000 0.804 400 A HN 0.532 nan 8.150 nan 0.000 0.479 401 R N -0.500 119.941 120.500 -0.098 0.000 2.426 401 R HA 0.096 4.434 4.340 -0.004 0.000 0.263 401 R C 1.435 177.580 176.300 -0.259 0.000 0.961 401 R CA 0.401 56.422 56.100 -0.131 0.000 1.086 401 R CB -0.741 29.483 30.300 -0.127 0.000 1.186 401 R HN 0.380 nan 8.270 nan 0.000 0.537 402 V N 0.473 120.230 119.914 -0.260 0.000 2.332 402 V HA -0.219 3.899 4.120 -0.004 0.000 0.248 402 V C 1.941 177.793 176.094 -0.403 0.000 1.055 402 V CA 1.786 63.845 62.300 -0.401 0.000 1.038 402 V CB 0.038 31.669 31.823 -0.320 0.000 0.651 402 V HN 0.084 nan 8.190 nan 0.000 0.450 403 V N 0.106 119.842 119.914 -0.296 0.000 2.488 403 V HA -0.135 3.983 4.120 -0.004 0.000 0.246 403 V C 2.344 178.280 176.094 -0.263 0.000 1.046 403 V CA 2.042 64.224 62.300 -0.197 0.000 1.053 403 V CB -0.704 31.097 31.823 -0.037 0.000 0.679 403 V HN 0.568 nan 8.190 nan 0.000 0.458 404 D N -0.224 119.996 120.400 -0.300 0.000 2.123 404 D HA -0.244 4.394 4.640 -0.004 0.000 0.196 404 D C 2.057 177.849 176.300 -0.846 0.000 0.992 404 D CA 1.786 55.541 54.000 -0.408 0.000 0.833 404 D CB -0.229 40.398 40.800 -0.288 0.000 0.954 404 D HN 0.401 nan 8.370 nan 0.000 0.455 405 M N 0.216 119.103 119.600 -1.188 0.000 2.065 405 M HA -0.187 4.291 4.480 -0.004 0.000 0.259 405 M C 2.079 178.013 176.300 -0.611 0.000 1.069 405 M CA 1.391 55.921 55.300 -1.283 0.000 1.110 405 M CB -0.082 32.039 32.600 -0.798 0.000 1.328 405 M HN -0.027 nan 8.290 nan 0.000 0.405 406 L N -0.179 120.765 121.223 -0.465 0.000 2.083 406 L HA -0.207 4.131 4.340 -0.004 0.000 0.209 406 L C 2.218 178.947 176.870 -0.235 0.000 1.083 406 L CA 1.498 56.142 54.840 -0.327 0.000 0.752 406 L CB -0.761 41.102 42.059 -0.327 0.000 0.899 406 L HN 0.409 nan 8.230 nan 0.000 0.433 407 E N -0.245 119.820 120.200 -0.225 0.000 2.285 407 E HA -0.031 4.317 4.350 -0.004 0.000 0.194 407 E C 0.287 176.824 176.600 -0.104 0.000 0.997 407 E CA 0.415 56.733 56.400 -0.136 0.000 0.845 407 E CB 0.194 29.830 29.700 -0.108 0.000 0.782 407 E HN 0.463 nan 8.360 nan 0.000 0.491 408 N N 1.454 120.069 118.700 -0.142 0.000 2.679 408 N HA 0.164 4.901 4.740 -0.004 0.000 0.302 408 N C -2.756 172.789 175.510 0.058 0.000 1.941 408 N CA -1.000 52.039 53.050 -0.018 0.000 0.875 408 N CB 1.278 39.806 38.487 0.069 0.000 1.278 408 N HN 0.032 nan 8.380 nan 0.000 0.490 409 P HA 0.036 nan 4.420 nan 0.000 0.265 409 P C 1.106 178.490 177.300 0.139 0.000 1.193 409 P CA 1.012 64.159 63.100 0.078 0.000 0.765 409 P CB 0.702 32.410 31.700 0.013 0.000 0.823 410 G N 1.544 110.459 108.800 0.193 0.000 2.234 410 G HA2 -0.239 3.719 3.960 -0.004 0.000 0.260 410 G HA3 -0.239 3.719 3.960 -0.004 0.000 0.260 410 G C 0.456 175.451 174.900 0.158 0.000 0.987 410 G CA 0.233 45.423 45.100 0.150 0.000 0.625 410 G HN 0.900 nan 8.290 nan 0.000 0.532 411 A N 0.141 123.104 122.820 0.239 0.000 2.332 411 A HA 0.627 4.945 4.320 -0.004 0.000 0.258 411 A C 0.451 178.104 177.584 0.115 0.000 1.087 411 A CA 0.155 52.312 52.037 0.200 0.000 0.802 411 A CB 0.358 19.517 19.000 0.265 0.000 1.042 411 A HN 0.482 nan 8.150 nan 0.000 0.489 412 E N -0.394 119.821 120.200 0.025 0.000 2.319 412 E HA 0.520 4.868 4.350 -0.004 0.000 0.268 412 E C -1.103 175.438 176.600 -0.099 0.000 1.050 412 E CA 0.005 56.338 56.400 -0.112 0.000 0.878 412 E CB 1.138 30.782 29.700 -0.093 0.000 1.066 412 E HN 0.540 nan 8.360 nan 0.000 0.406 413 F N -1.171 118.593 119.950 -0.310 0.000 2.613 413 F HA 0.477 5.002 4.527 -0.004 0.000 0.310 413 F C -0.717 175.006 175.800 -0.128 0.000 1.085 413 F CA -1.234 56.609 58.000 -0.262 0.000 0.945 413 F CB 1.201 39.915 39.000 -0.477 0.000 1.298 413 F HN 0.114 nan 8.300 nan 0.000 0.455 414 D N 1.682 122.129 120.400 0.079 0.000 2.253 414 D HA 0.422 5.060 4.640 -0.004 0.000 0.249 414 D C -1.628 174.810 176.300 0.230 0.000 1.049 414 D CA 0.152 54.172 54.000 0.035 0.000 0.929 414 D CB 2.493 43.247 40.800 -0.077 0.000 1.176 414 D HN 0.615 nan 8.370 nan 0.000 0.437 415 F N 1.996 121.967 119.950 0.034 0.000 2.881 415 F HA 0.128 4.653 4.527 -0.004 0.000 0.348 415 F C -0.130 175.731 175.800 0.102 0.000 1.240 415 F CA -0.752 57.301 58.000 0.089 0.000 1.130 415 F CB 0.552 39.665 39.000 0.188 0.000 1.417 415 F HN 0.216 nan 8.300 nan 0.000 0.585 416 N N 4.252 122.635 118.700 -0.529 0.000 2.716 416 N HA -0.173 4.565 4.740 -0.004 0.000 0.250 416 N C 0.846 176.320 175.510 -0.060 0.000 1.033 416 N CA 2.145 54.976 53.050 -0.365 0.000 0.727 416 N CB -0.954 37.126 38.487 -0.678 0.000 0.950 416 N HN 1.769 nan 8.380 nan 0.000 0.541 417 G N -2.605 106.253 108.800 0.098 0.000 2.175 417 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.244 417 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.244 417 G C 0.158 175.073 174.900 0.026 0.000 0.982 417 G CA 1.135 46.240 45.100 0.008 0.000 0.641 417 G HN 1.411 nan 8.290 nan 0.000 0.527 418 T N -2.261 112.330 114.554 0.061 0.000 2.924 418 T HA 0.794 5.142 4.350 -0.004 0.000 0.291 418 T C -0.340 174.344 174.700 -0.027 0.000 1.045 418 T CA -0.850 61.260 62.100 0.016 0.000 1.015 418 T CB 2.725 71.608 68.868 0.025 0.000 1.103 418 T HN 0.318 nan 8.240 nan 0.000 0.496 419 R N 1.016 121.453 120.500 -0.106 0.000 2.562 419 R HA 0.747 5.085 4.340 -0.004 0.000 0.298 419 R C -0.866 175.222 176.300 -0.353 0.000 0.961 419 R CA -0.638 55.330 56.100 -0.221 0.000 0.881 419 R CB 2.238 32.454 30.300 -0.140 0.000 1.159 419 R HN 0.831 nan 8.270 nan 0.000 0.450 420 S N 1.238 116.522 115.700 -0.694 0.000 2.651 420 S HA 0.486 4.954 4.470 -0.004 0.000 0.279 420 S C -1.156 173.050 174.600 -0.655 0.000 1.148 420 S CA -0.865 56.936 58.200 -0.665 0.000 0.837 420 S CB 2.501 65.247 63.200 -0.758 0.000 1.138 420 S HN 0.358 nan 8.310 nan 0.000 0.478 421 K N 0.532 120.769 120.400 -0.271 0.000 2.207 421 K HA 0.517 4.835 4.320 -0.004 0.000 0.255 421 K C -1.327 175.360 176.600 0.145 0.000 0.941 421 K CA -0.524 55.717 56.287 -0.077 0.000 0.825 421 K CB 0.901 33.413 32.500 0.020 0.000 1.119 421 K HN 0.351 nan 8.250 nan 0.000 0.430 422 F N 3.978 124.100 119.950 0.287 0.000 2.495 422 F HA 0.144 4.668 4.527 -0.004 0.000 0.365 422 F C -1.538 174.352 175.800 0.150 0.000 1.090 422 F CA -1.895 56.244 58.000 0.232 0.000 1.235 422 F CB 0.121 39.197 39.000 0.127 0.000 1.119 422 F HN 0.344 nan 8.300 nan 0.000 0.562 423 P HA 0.029 nan 4.420 nan 0.000 0.276 423 P C -0.778 176.607 177.300 0.142 0.000 1.252 423 P CA -0.359 62.889 63.100 0.246 0.000 0.802 423 P CB 0.918 32.801 31.700 0.306 0.000 1.035 424 D N 1.074 121.520 120.400 0.076 0.000 2.500 424 D HA 0.199 4.837 4.640 -0.004 0.000 0.219 424 D C -0.516 175.745 176.300 -0.066 0.000 1.137 424 D CA -0.399 53.596 54.000 -0.009 0.000 0.946 424 D CB -0.439 40.353 40.800 -0.013 0.000 1.022 424 D HN -0.098 nan 8.370 nan 0.000 0.518 425 V N 4.577 124.446 119.914 -0.075 0.000 2.583 425 V HA 0.164 4.282 4.120 -0.004 0.000 0.287 425 V C 1.361 177.347 176.094 -0.181 0.000 1.051 425 V CA -0.029 62.222 62.300 -0.082 0.000 1.010 425 V CB 1.602 33.388 31.823 -0.062 0.000 0.988 425 V HN 0.388 nan 8.190 nan 0.000 0.478 426 K N 3.467 123.755 120.400 -0.185 0.000 2.450 426 K HA 0.376 4.694 4.320 -0.004 0.000 0.206 426 K C -0.081 176.479 176.600 -0.067 0.000 1.148 426 K CA 0.246 56.397 56.287 -0.227 0.000 1.014 426 K CB 0.993 33.195 32.500 -0.496 0.000 0.966 426 K HN 0.670 nan 8.250 nan 0.000 0.566 427 M N 0.333 119.945 119.600 0.020 0.000 2.484 427 M HA 0.552 5.030 4.480 -0.004 0.000 0.289 427 M C -2.020 174.389 176.300 0.181 0.000 1.206 427 M CA -0.625 54.741 55.300 0.110 0.000 0.892 427 M CB 2.499 35.201 32.600 0.171 0.000 1.712 427 M HN -0.040 nan 8.290 nan 0.000 0.462 428 A N 2.915 125.902 122.820 0.278 0.000 2.386 428 A HA 0.751 5.069 4.320 -0.004 0.000 0.311 428 A C -2.417 175.515 177.584 0.579 0.000 1.068 428 A CA -0.398 51.918 52.037 0.465 0.000 0.743 428 A CB 1.365 20.678 19.000 0.523 0.000 1.258 428 A HN 0.801 nan 8.150 nan 0.000 0.429 429 Y N 2.013 122.511 120.300 0.330 0.000 2.326 429 Y HA 0.547 5.095 4.550 -0.003 0.000 0.331 429 Y C -1.319 174.699 175.900 0.196 0.000 0.962 429 Y CA -1.433 56.795 58.100 0.215 0.000 1.167 429 Y CB 1.083 39.590 38.460 0.079 0.000 1.148 429 Y HN 0.699 nan 8.280 nan 0.000 0.463 430 W N 7.948 129.485 121.300 0.395 0.000 2.656 430 W HA 0.657 5.315 4.660 -0.003 0.000 0.327 430 W C -1.461 175.172 176.519 0.189 0.000 1.041 430 W CA -0.827 56.710 57.345 0.320 0.000 1.229 430 W CB 1.820 31.534 29.460 0.422 0.000 1.397 430 W HN 0.433 nan 8.180 nan 0.000 0.479 431 V N 1.396 121.520 119.914 0.350 0.000 2.925 431 V HA 0.867 4.985 4.120 -0.004 0.000 0.311 431 V C 0.442 176.712 176.094 0.293 0.000 1.104 431 V CA -0.340 62.111 62.300 0.252 0.000 0.954 431 V CB 1.188 33.080 31.823 0.115 0.000 1.022 431 V HN 1.048 nan 8.190 nan 0.000 0.427 432 G N 1.350 110.304 108.800 0.256 0.000 2.283 432 G HA2 0.234 4.192 3.960 -0.004 0.000 0.280 432 G HA3 0.234 4.192 3.960 -0.004 0.000 0.280 432 G C 0.569 175.665 174.900 0.326 0.000 1.029 432 G CA 0.649 45.894 45.100 0.242 0.000 0.840 432 G HN 2.310 nan 8.290 nan 0.000 0.505 433 G N -1.274 107.780 108.800 0.423 0.000 2.684 433 G HA2 0.568 4.526 3.960 -0.004 0.000 0.290 433 G HA3 0.568 4.526 3.960 -0.004 0.000 0.290 433 G C -1.062 173.981 174.900 0.238 0.000 1.425 433 G CA -0.195 45.207 45.100 0.504 0.000 0.822 433 G HN 0.642 nan 8.290 nan 0.000 0.482 434 N N 0.710 119.508 118.700 0.163 0.000 2.752 434 N HA 0.339 5.076 4.740 -0.004 0.000 0.260 434 N C -1.639 173.558 175.510 -0.521 0.000 1.562 434 N CA -1.805 51.167 53.050 -0.130 0.000 0.788 434 N CB 2.110 40.584 38.487 -0.021 0.000 1.192 434 N HN 0.141 nan 8.380 nan 0.000 0.503 435 P HA -0.077 nan 4.420 nan 0.000 0.220 435 P C 0.875 177.545 177.300 -1.050 0.000 1.148 435 P CA 0.807 62.963 63.100 -1.573 0.000 0.803 435 P CB -0.018 30.736 31.700 -1.577 0.000 0.782 436 F N -0.853 118.651 119.950 -0.744 0.000 2.816 436 F HA -0.010 4.515 4.527 -0.004 0.000 0.302 436 F C 1.977 177.539 175.800 -0.397 0.000 1.178 436 F CA 0.565 58.202 58.000 -0.606 0.000 1.421 436 F CB -0.170 38.492 39.000 -0.563 0.000 1.114 436 F HN -0.224 nan 8.300 nan 0.000 0.573 437 V N -1.770 118.001 119.914 -0.239 0.000 3.159 437 V HA -0.099 4.019 4.120 -0.004 0.000 0.234 437 V C 2.127 178.162 176.094 -0.098 0.000 1.313 437 V CA 0.745 62.994 62.300 -0.085 0.000 1.271 437 V CB -0.293 31.564 31.823 0.058 0.000 1.053 437 V HN 0.400 nan 8.190 nan 0.000 0.476 438 H N -0.433 118.538 119.070 -0.165 0.000 2.512 438 H HA 0.030 4.583 4.556 -0.004 0.000 0.279 438 H C 1.060 176.219 175.328 -0.281 0.000 0.999 438 H CA 0.545 56.452 56.048 -0.237 0.000 1.283 438 H CB 0.185 29.764 29.762 -0.305 0.000 1.421 438 H HN 0.514 nan 8.280 nan 0.000 0.554 439 H N 1.334 120.254 119.070 -0.250 0.000 2.505 439 H HA 0.212 4.766 4.556 -0.004 0.000 0.351 439 H C -0.408 174.840 175.328 -0.134 0.000 1.151 439 H CA -0.508 55.474 56.048 -0.109 0.000 1.339 439 H CB 1.184 30.811 29.762 -0.225 0.000 1.483 439 H HN 0.189 nan 8.280 nan 0.000 0.558 440 Q N 1.353 120.652 119.800 -0.835 0.000 2.306 440 Q HA 0.207 4.544 4.340 -0.004 0.000 0.241 440 Q C -0.518 175.237 176.000 -0.407 0.000 0.948 440 Q CA -0.124 55.385 55.803 -0.490 0.000 0.886 440 Q CB 0.524 29.041 28.738 -0.367 0.000 1.227 440 Q HN 0.763 nan 8.270 nan 0.000 0.457 441 D N 0.367 120.617 120.400 -0.249 0.000 2.956 441 D HA -0.179 4.459 4.640 -0.004 0.000 0.240 441 D C 0.556 176.736 176.300 -0.199 0.000 1.141 441 D CA 0.257 54.148 54.000 -0.181 0.000 0.820 441 D CB -0.204 40.514 40.800 -0.136 0.000 0.988 441 D HN 0.635 nan 8.370 nan 0.000 0.417 442 R N 1.629 121.975 120.500 -0.257 0.000 2.103 442 R HA -0.113 4.225 4.340 -0.004 0.000 0.242 442 R C 1.878 178.027 176.300 -0.251 0.000 1.142 442 R CA 2.298 58.180 56.100 -0.362 0.000 0.960 442 R CB -0.235 29.730 30.300 -0.560 0.000 0.858 442 R HN 0.408 nan 8.270 nan 0.000 0.439 443 N N 0.095 118.709 118.700 -0.144 0.000 2.188 443 N HA -0.168 4.570 4.740 -0.004 0.000 0.184 443 N C 1.727 177.209 175.510 -0.047 0.000 1.018 443 N CA 1.259 54.275 53.050 -0.058 0.000 0.858 443 N CB -0.314 38.165 38.487 -0.015 0.000 0.989 443 N HN 0.308 nan 8.380 nan 0.000 0.426 444 R N 0.956 121.419 120.500 -0.061 0.000 2.081 444 R HA -0.032 4.306 4.340 -0.004 0.000 0.235 444 R C 2.294 178.571 176.300 -0.038 0.000 1.131 444 R CA 1.114 57.191 56.100 -0.039 0.000 0.960 444 R CB -0.212 30.063 30.300 -0.042 0.000 0.856 444 R HN 0.167 nan 8.270 nan 0.000 0.436 445 M N 0.282 119.828 119.600 -0.090 0.000 2.117 445 M HA -0.145 4.333 4.480 -0.004 0.000 0.262 445 M C 1.860 178.096 176.300 -0.106 0.000 1.065 445 M CA 1.551 56.772 55.300 -0.133 0.000 1.114 445 M CB 0.072 32.467 32.600 -0.342 0.000 1.361 445 M HN 0.097 nan 8.290 nan 0.000 0.408 446 V N 1.123 120.977 119.914 -0.100 0.000 2.332 446 V HA -0.296 3.822 4.120 -0.004 0.000 0.248 446 V C 2.388 178.558 176.094 0.127 0.000 1.055 446 V CA 2.291 64.621 62.300 0.049 0.000 1.038 446 V CB -0.796 31.081 31.823 0.089 0.000 0.651 446 V HN 0.530 nan 8.190 nan 0.000 0.450 447 K N 0.861 121.309 120.400 0.080 0.000 2.062 447 K HA -0.016 4.302 4.320 -0.004 0.000 0.205 447 K C 2.025 178.677 176.600 0.087 0.000 1.051 447 K CA 1.619 57.954 56.287 0.080 0.000 0.941 447 K CB -0.579 31.948 32.500 0.045 0.000 0.719 447 K HN 0.356 nan 8.250 nan 0.000 0.440 448 A N 0.211 123.079 122.820 0.081 0.000 1.972 448 A HA -0.146 4.172 4.320 -0.004 0.000 0.219 448 A C 2.068 179.711 177.584 0.098 0.000 1.169 448 A CA 1.138 53.210 52.037 0.058 0.000 0.635 448 A CB -1.096 17.921 19.000 0.029 0.000 0.810 448 A HN 0.634 nan 8.150 nan 0.000 0.446 449 W N 0.899 122.139 121.300 -0.099 0.000 2.538 449 W HA -0.112 4.546 4.660 -0.004 0.000 0.254 449 W C 1.361 177.862 176.519 -0.031 0.000 1.249 449 W CA 1.287 58.578 57.345 -0.091 0.000 1.253 449 W CB 0.052 29.490 29.460 -0.036 0.000 1.130 449 W HN 0.596 nan 8.180 nan 0.000 0.618 450 E N -0.047 120.243 120.200 0.150 0.000 2.409 450 E HA -0.189 4.159 4.350 -0.004 0.000 0.198 450 E C 2.014 178.624 176.600 0.017 0.000 1.024 450 E CA 0.477 56.933 56.400 0.093 0.000 0.861 450 E CB -0.175 29.577 29.700 0.087 0.000 0.788 450 E HN 0.106 nan 8.360 nan 0.000 0.521 451 K N 0.925 121.297 120.400 -0.046 0.000 2.288 451 K HA -0.027 4.291 4.320 -0.004 0.000 0.201 451 K C 0.396 176.917 176.600 -0.132 0.000 1.048 451 K CA 0.254 56.485 56.287 -0.093 0.000 0.956 451 K CB 0.086 32.505 32.500 -0.135 0.000 0.746 451 K HN 0.125 nan 8.250 nan 0.000 0.461 452 L N 1.596 122.711 121.223 -0.181 0.000 2.331 452 L HA 0.104 4.442 4.340 -0.004 0.000 0.278 452 L C 1.392 178.250 176.870 -0.019 0.000 1.106 452 L CA -0.240 54.498 54.840 -0.171 0.000 0.824 452 L CB 1.141 43.006 42.059 -0.324 0.000 1.142 452 L HN 0.071 nan 8.230 nan 0.000 0.443 453 E N 0.976 121.193 120.200 0.029 0.000 2.072 453 E HA -0.034 4.314 4.350 -0.004 0.000 0.190 453 E C -0.183 176.557 176.600 0.234 0.000 0.982 453 E CA 0.978 57.461 56.400 0.139 0.000 0.803 453 E CB 0.270 30.066 29.700 0.160 0.000 0.755 453 E HN 0.620 nan 8.360 nan 0.000 0.453 454 T N 0.161 114.821 114.554 0.176 0.000 2.916 454 T HA 0.395 4.742 4.350 -0.004 0.000 0.298 454 T C -1.514 173.284 174.700 0.162 0.000 1.031 454 T CA -0.604 61.573 62.100 0.128 0.000 0.993 454 T CB 1.591 70.561 68.868 0.171 0.000 1.045 454 T HN -0.049 nan 8.240 nan 0.000 0.454 455 F N 3.791 123.690 119.950 -0.085 0.000 2.539 455 F HA 0.686 5.211 4.527 -0.004 0.000 0.328 455 F C -1.396 174.371 175.800 -0.055 0.000 1.148 455 F CA -1.280 56.744 58.000 0.040 0.000 0.940 455 F CB 0.962 40.102 39.000 0.233 0.000 1.194 455 F HN 0.326 nan 8.300 nan 0.000 0.438 456 V N 6.387 126.089 119.914 -0.354 0.000 2.513 456 V HA 0.741 4.859 4.120 -0.004 0.000 0.299 456 V C -0.712 175.033 176.094 -0.580 0.000 1.035 456 V CA -0.835 61.120 62.300 -0.575 0.000 0.889 456 V CB 1.711 32.988 31.823 -0.909 0.000 0.988 456 V HN 0.569 nan 8.190 nan 0.000 0.440 457 V N 3.807 123.482 119.914 -0.400 0.000 2.789 457 V HA 0.517 4.635 4.120 -0.004 0.000 0.311 457 V C -0.882 175.246 176.094 0.058 0.000 1.073 457 V CA -0.693 61.492 62.300 -0.191 0.000 0.921 457 V CB 2.221 33.853 31.823 -0.318 0.000 1.009 457 V HN 0.963 nan 8.190 nan 0.000 0.426 458 H N 2.703 121.780 119.070 0.011 0.000 2.489 458 H HA 0.711 5.265 4.556 -0.004 0.000 0.343 458 H C -1.083 174.222 175.328 -0.040 0.000 1.086 458 H CA -0.744 55.295 56.048 -0.015 0.000 1.198 458 H CB 2.409 32.201 29.762 0.051 0.000 1.490 458 H HN 0.619 nan 8.280 nan 0.000 0.504 459 D N 1.669 122.066 120.400 -0.006 0.000 2.692 459 D HA 0.011 4.649 4.640 -0.004 0.000 0.290 459 D C -0.594 175.637 176.300 -0.116 0.000 1.281 459 D CA -0.567 53.363 54.000 -0.116 0.000 0.804 459 D CB 1.522 42.175 40.800 -0.244 0.000 1.331 459 D HN 0.453 nan 8.370 nan 0.000 0.432 460 F N -0.538 119.381 119.950 -0.052 0.000 2.678 460 F HA 0.470 4.995 4.527 -0.004 0.000 0.305 460 F C 0.526 176.277 175.800 -0.081 0.000 1.090 460 F CA -0.221 57.737 58.000 -0.070 0.000 1.272 460 F CB 0.318 39.319 39.000 0.001 0.000 1.060 460 F HN -0.097 nan 8.300 nan 0.000 0.576 461 Q N 0.134 119.778 119.800 -0.260 0.000 2.377 461 Q HA 0.168 4.505 4.340 -0.004 0.000 0.271 461 Q C -1.611 174.244 176.000 -0.242 0.000 1.077 461 Q CA -0.561 55.195 55.803 -0.077 0.000 0.820 461 Q CB 1.919 30.724 28.738 0.111 0.000 1.347 461 Q HN 0.494 nan 8.270 nan 0.000 0.444 462 W N 2.883 124.133 121.300 -0.084 0.000 1.564 462 W HA 0.059 4.717 4.660 -0.003 0.000 0.480 462 W C 0.864 177.091 176.519 -0.487 0.000 0.699 462 W CA -0.086 57.135 57.345 -0.206 0.000 1.985 462 W CB 0.042 29.442 29.460 -0.098 0.000 1.738 462 W HN 0.414 nan 8.180 nan 0.000 0.218 463 T N -1.236 113.018 114.554 -0.500 0.000 2.788 463 T HA 0.169 4.517 4.350 -0.004 0.000 0.287 463 T C -1.547 172.882 174.700 -0.453 0.000 1.007 463 T CA -1.441 60.092 62.100 -0.944 0.000 1.005 463 T CB 1.186 69.633 68.868 -0.701 0.000 1.012 463 T HN -0.062 nan 8.240 nan 0.000 0.530 464 P HA -0.064 nan 4.420 nan 0.000 0.218 464 P C 1.578 178.838 177.300 -0.067 0.000 1.148 464 P CA 1.118 64.169 63.100 -0.082 0.000 0.822 464 P CB -0.248 31.482 31.700 0.050 0.000 0.784 465 T N -0.692 113.788 114.554 -0.123 0.000 2.737 465 T HA -0.115 4.233 4.350 -0.004 0.000 0.265 465 T C 1.912 176.582 174.700 -0.050 0.000 1.038 465 T CA 1.626 63.688 62.100 -0.062 0.000 1.144 465 T CB -0.954 67.906 68.868 -0.014 0.000 0.866 465 T HN 0.042 nan 8.240 nan 0.000 0.434 466 A N 1.781 124.540 122.820 -0.102 0.000 1.933 466 A HA -0.123 4.195 4.320 -0.004 0.000 0.218 466 A C 2.340 180.008 177.584 0.140 0.000 1.175 466 A CA 1.412 53.381 52.037 -0.113 0.000 0.628 466 A CB -0.517 18.293 19.000 -0.318 0.000 0.814 466 A HN 0.407 nan 8.150 nan 0.000 0.444 467 R N -1.531 119.102 120.500 0.221 0.000 2.152 467 R HA -0.136 4.202 4.340 -0.004 0.000 0.232 467 R C 1.294 177.647 176.300 0.089 0.000 1.117 467 R CA 1.536 57.792 56.100 0.259 0.000 0.981 467 R CB -0.332 29.992 30.300 0.039 0.000 0.870 467 R HN 0.703 nan 8.270 nan 0.000 0.451 468 H N -0.721 118.298 119.070 -0.085 0.000 2.539 468 H HA 0.290 4.843 4.556 -0.004 0.000 0.269 468 H C 0.154 175.578 175.328 0.160 0.000 0.980 468 H CA 0.102 56.051 56.048 -0.164 0.000 1.152 468 H CB 0.431 29.659 29.762 -0.891 0.000 1.407 468 H HN 0.180 nan 8.280 nan 0.000 0.564 469 A N 0.043 123.016 122.820 0.256 0.000 2.287 469 A HA 0.104 4.421 4.320 -0.004 0.000 0.273 469 A C 0.774 178.458 177.584 0.166 0.000 1.091 469 A CA -0.362 51.751 52.037 0.127 0.000 0.817 469 A CB 0.581 19.463 19.000 -0.197 0.000 1.069 469 A HN 0.286 nan 8.150 nan 0.000 0.492 470 D N -0.195 120.202 120.400 -0.005 0.000 2.216 470 D HA 0.119 4.757 4.640 -0.004 0.000 0.208 470 D C 0.067 176.265 176.300 -0.170 0.000 0.960 470 D CA 1.427 55.306 54.000 -0.202 0.000 0.861 470 D CB 0.164 40.507 40.800 -0.762 0.000 0.985 470 D HN 0.484 nan 8.370 nan 0.000 0.493 471 I N 1.140 121.586 120.570 -0.207 0.000 2.499 471 I HA 0.196 4.364 4.170 -0.004 0.000 0.288 471 I C -0.923 175.089 176.117 -0.175 0.000 1.048 471 I CA -0.709 60.503 61.300 -0.147 0.000 1.062 471 I CB 2.941 40.832 38.000 -0.182 0.000 1.238 471 I HN -0.397 nan 8.210 nan 0.000 0.426 472 V N 7.224 127.027 119.914 -0.184 0.000 2.409 472 V HA 0.494 4.612 4.120 -0.004 0.000 0.291 472 V C -0.206 175.693 176.094 -0.325 0.000 1.020 472 V CA -0.505 61.618 62.300 -0.295 0.000 0.848 472 V CB 1.805 33.344 31.823 -0.472 0.000 0.990 472 V HN 0.465 nan 8.190 nan 0.000 0.430 473 L N 7.150 128.206 121.223 -0.278 0.000 2.341 473 L HA 0.557 4.894 4.340 -0.004 0.000 0.278 473 L C -2.468 174.253 176.870 -0.248 0.000 1.005 473 L CA -1.846 52.795 54.840 -0.333 0.000 0.818 473 L CB 2.716 44.587 42.059 -0.314 0.000 1.259 473 L HN 0.398 nan 8.230 nan 0.000 0.418 474 P HA 0.222 nan 4.420 nan 0.000 0.281 474 P C -0.743 176.606 177.300 0.082 0.000 1.286 474 P CA -0.134 62.915 63.100 -0.085 0.000 0.772 474 P CB 1.487 33.138 31.700 -0.082 0.000 0.862 475 A N 4.119 126.985 122.820 0.076 0.000 2.264 475 A HA 0.670 4.988 4.320 -0.004 0.000 0.304 475 A C 0.627 178.292 177.584 0.135 0.000 1.100 475 A CA -0.281 51.829 52.037 0.123 0.000 0.839 475 A CB 0.086 19.207 19.000 0.201 0.000 1.121 475 A HN 0.572 nan 8.150 nan 0.000 0.496 476 T N -0.991 113.591 114.554 0.047 0.000 2.881 476 T HA 0.569 4.917 4.350 -0.004 0.000 0.278 476 T C 0.580 175.162 174.700 -0.196 0.000 0.982 476 T CA 0.117 62.172 62.100 -0.075 0.000 0.989 476 T CB 0.803 69.596 68.868 -0.126 0.000 1.058 476 T HN 1.067 nan 8.240 nan 0.000 0.529 477 T N -1.170 113.098 114.554 -0.477 0.000 2.824 477 T HA 0.301 4.649 4.350 -0.004 0.000 0.277 477 T C 1.450 175.805 174.700 -0.576 0.000 0.975 477 T CA -0.583 61.063 62.100 -0.757 0.000 0.966 477 T CB 0.514 68.877 68.868 -0.842 0.000 1.054 477 T HN 0.466 nan 8.240 nan 0.000 0.533 478 S N -0.025 115.199 115.700 -0.793 0.000 2.442 478 S HA -0.044 4.424 4.470 -0.004 0.000 0.236 478 S C 1.348 175.568 174.600 -0.634 0.000 1.007 478 S CA 0.864 58.646 58.200 -0.695 0.000 0.965 478 S CB -0.699 62.075 63.200 -0.710 0.000 0.773 478 S HN 0.757 nan 8.310 nan 0.000 0.504 479 Y N 1.295 121.562 120.300 -0.056 0.000 2.583 479 Y HA 0.172 4.720 4.550 -0.003 0.000 0.293 479 Y C 1.536 177.409 175.900 -0.044 0.000 1.157 479 Y CA -0.077 58.020 58.100 -0.005 0.000 1.315 479 Y CB -0.534 37.978 38.460 0.087 0.000 1.021 479 Y HN 0.297 nan 8.280 nan 0.000 0.536 480 E N 0.771 120.920 120.200 -0.085 0.000 2.496 480 E HA 0.197 4.545 4.350 -0.004 0.000 0.200 480 E C 0.222 176.762 176.600 -0.100 0.000 1.016 480 E CA -0.263 56.093 56.400 -0.074 0.000 0.962 480 E CB 0.386 30.019 29.700 -0.112 0.000 1.071 480 E HN 0.389 nan 8.360 nan 0.000 0.457 481 R N -1.074 119.360 120.500 -0.110 0.000 2.756 481 R HA 0.396 4.734 4.340 -0.004 0.000 0.273 481 R C -1.234 175.068 176.300 0.004 0.000 1.030 481 R CA -0.921 55.115 56.100 -0.107 0.000 0.887 481 R CB 0.736 30.821 30.300 -0.358 0.000 1.274 481 R HN -0.184 nan 8.270 nan 0.000 0.461 482 N N -0.055 118.717 118.700 0.121 0.000 2.384 482 N HA 0.448 5.186 4.740 -0.004 0.000 0.301 482 N C -1.369 174.337 175.510 0.327 0.000 1.133 482 N CA -0.262 52.939 53.050 0.251 0.000 0.853 482 N CB 1.758 40.432 38.487 0.311 0.000 1.241 482 N HN 0.537 nan 8.380 nan 0.000 0.502 483 D N 0.137 120.753 120.400 0.360 0.000 2.779 483 D HA 0.475 5.113 4.640 -0.004 0.000 0.331 483 D C -1.386 175.132 176.300 0.363 0.000 1.331 483 D CA -0.390 53.804 54.000 0.324 0.000 0.866 483 D CB 2.214 43.158 40.800 0.240 0.000 1.409 483 D HN 0.370 nan 8.370 nan 0.000 0.486 484 I N 0.680 121.432 120.570 0.303 0.000 2.722 484 I HA 0.551 4.719 4.170 -0.004 0.000 0.295 484 I C -1.764 174.454 176.117 0.167 0.000 1.161 484 I CA -0.363 61.128 61.300 0.319 0.000 1.032 484 I CB 2.073 40.380 38.000 0.511 0.000 1.244 484 I HN 0.350 nan 8.210 nan 0.000 0.421 485 E N 3.324 123.589 120.200 0.110 0.000 2.407 485 E HA 0.439 4.787 4.350 -0.004 0.000 0.279 485 E C -1.497 175.116 176.600 0.022 0.000 1.012 485 E CA -0.425 55.990 56.400 0.025 0.000 0.800 485 E CB 2.129 31.804 29.700 -0.043 0.000 1.276 485 E HN 0.530 nan 8.360 nan 0.000 0.452 486 T N 2.365 116.924 114.554 0.008 0.000 2.913 486 T HA 0.424 4.772 4.350 -0.004 0.000 0.297 486 T C 0.221 174.920 174.700 -0.002 0.000 1.029 486 T CA -0.070 62.045 62.100 0.025 0.000 1.104 486 T CB 0.089 68.975 68.868 0.031 0.000 0.964 486 T HN 0.294 nan 8.240 nan 0.000 0.532 487 I N 2.488 123.062 120.570 0.007 0.000 2.307 487 I HA 0.507 4.675 4.170 -0.004 0.000 0.289 487 I C 0.768 176.918 176.117 0.055 0.000 1.021 487 I CA -0.106 61.196 61.300 0.004 0.000 1.224 487 I CB 0.824 38.814 38.000 -0.017 0.000 1.376 487 I HN 0.894 nan 8.210 nan 0.000 0.470 488 G N 4.781 113.611 108.800 0.051 0.000 3.035 488 G HA2 -0.157 3.801 3.960 -0.004 0.000 0.674 488 G HA3 -0.157 3.801 3.960 -0.004 0.000 0.674 488 G C 0.065 174.991 174.900 0.042 0.000 1.159 488 G CA -0.741 44.405 45.100 0.077 0.000 1.098 488 G HN 0.726 nan 8.290 nan 0.000 0.473 489 D N 0.372 120.764 120.400 -0.013 0.000 2.158 489 D HA -0.145 4.493 4.640 -0.004 0.000 0.197 489 D C 1.537 177.671 176.300 -0.277 0.000 0.995 489 D CA 2.029 55.927 54.000 -0.170 0.000 0.846 489 D CB 0.288 40.900 40.800 -0.313 0.000 0.941 489 D HN 0.651 nan 8.370 nan 0.000 0.456 490 Y N -0.015 120.318 120.300 0.055 0.000 2.559 490 Y HA -0.015 4.533 4.550 -0.004 0.000 0.279 490 Y C 2.668 178.590 175.900 0.036 0.000 1.117 490 Y CA 0.492 58.612 58.100 0.035 0.000 1.263 490 Y CB -0.267 38.216 38.460 0.039 0.000 1.230 490 Y HN -0.095 nan 8.280 nan 0.000 0.528 491 S N 0.063 115.900 115.700 0.229 0.000 2.406 491 S HA -0.140 4.328 4.470 -0.004 0.000 0.228 491 S C 1.038 175.729 174.600 0.153 0.000 1.020 491 S CA 0.799 59.106 58.200 0.179 0.000 0.965 491 S CB -0.611 62.703 63.200 0.190 0.000 0.798 491 S HN 0.504 nan 8.310 nan 0.000 0.488 492 N N 1.040 119.824 118.700 0.140 0.000 2.705 492 N HA -0.143 4.595 4.740 -0.004 0.000 0.255 492 N C 0.395 176.058 175.510 0.255 0.000 1.008 492 N CA 0.943 54.098 53.050 0.175 0.000 0.742 492 N CB -1.982 36.591 38.487 0.144 0.000 0.906 492 N HN 0.513 nan 8.380 nan 0.000 0.541 493 T N -1.433 113.231 114.554 0.184 0.000 2.788 493 T HA 0.176 4.524 4.350 -0.004 0.000 0.268 493 T C 1.111 175.832 174.700 0.036 0.000 1.044 493 T CA 1.499 63.692 62.100 0.155 0.000 1.139 493 T CB -0.137 68.825 68.868 0.157 0.000 0.867 493 T HN 0.784 nan 8.240 nan 0.000 0.454 494 G N -0.668 108.109 108.800 -0.039 0.000 2.340 494 G HA2 0.533 4.490 3.960 -0.004 0.000 0.299 494 G HA3 0.533 4.490 3.960 -0.004 0.000 0.299 494 G C -2.088 172.718 174.900 -0.157 0.000 1.291 494 G CA -0.987 43.879 45.100 -0.390 0.000 0.841 494 G HN 0.212 nan 8.290 nan 0.000 0.500 495 I N 0.363 120.821 120.570 -0.187 0.000 2.465 495 I HA 0.524 4.692 4.170 -0.004 0.000 0.291 495 I C -0.952 175.219 176.117 0.090 0.000 1.014 495 I CA -0.783 60.520 61.300 0.006 0.000 1.093 495 I CB 2.009 40.029 38.000 0.034 0.000 1.267 495 I HN 0.418 nan 8.210 nan 0.000 0.431 496 L N 6.013 127.274 121.223 0.064 0.000 2.334 496 L HA 0.770 5.108 4.340 -0.004 0.000 0.276 496 L C -0.121 176.762 176.870 0.021 0.000 1.014 496 L CA -0.194 54.623 54.840 -0.040 0.000 0.815 496 L CB 1.708 43.634 42.059 -0.221 0.000 1.268 496 L HN 0.672 nan 8.230 nan 0.000 0.428 497 A N 5.966 128.619 122.820 -0.280 0.000 2.302 497 A HA 0.488 4.805 4.320 -0.004 0.000 0.295 497 A C -0.144 177.128 177.584 -0.521 0.000 1.235 497 A CA -0.324 51.356 52.037 -0.595 0.000 0.876 497 A CB -0.275 17.737 19.000 -1.647 0.000 1.133 497 A HN 0.790 nan 8.150 nan 0.000 0.533 498 M N 3.960 123.419 119.600 -0.235 0.000 2.923 498 M HA 0.123 4.601 4.480 -0.004 0.000 0.311 498 M C -0.091 176.141 176.300 -0.114 0.000 1.376 498 M CA 0.295 55.488 55.300 -0.178 0.000 1.468 498 M CB -0.062 32.505 32.600 -0.055 0.000 1.151 498 M HN 0.549 nan 8.290 nan 0.000 0.517 499 K N 2.000 122.249 120.400 -0.251 0.000 2.270 499 K HA 0.186 4.503 4.320 -0.004 0.000 0.276 499 K C 0.111 176.702 176.600 -0.014 0.000 1.023 499 K CA -0.367 55.851 56.287 -0.116 0.000 0.955 499 K CB 1.014 33.350 32.500 -0.274 0.000 0.975 499 K HN 0.387 nan 8.250 nan 0.000 0.471 500 K N 2.810 123.252 120.400 0.071 0.000 2.484 500 K HA -0.035 4.283 4.320 -0.004 0.000 0.280 500 K C 0.351 176.982 176.600 0.051 0.000 1.013 500 K CA 0.242 56.564 56.287 0.060 0.000 1.029 500 K CB 0.362 32.903 32.500 0.068 0.000 0.902 500 K HN 0.532 nan 8.250 nan 0.000 0.481 501 I N 3.609 124.229 120.570 0.083 0.000 2.947 501 I HA -0.006 4.161 4.170 -0.004 0.000 0.263 501 I C 0.251 176.425 176.117 0.096 0.000 1.130 501 I CA 0.033 61.394 61.300 0.100 0.000 1.448 501 I CB 0.760 38.869 38.000 0.181 0.000 1.222 501 I HN 0.468 nan 8.210 nan 0.000 0.453 502 V N -2.444 117.526 119.914 0.094 0.000 3.102 502 V HA 0.530 4.648 4.120 -0.004 0.000 0.312 502 V C -0.592 175.522 176.094 0.032 0.000 1.135 502 V CA -1.015 61.327 62.300 0.071 0.000 1.022 502 V CB 1.862 33.742 31.823 0.094 0.000 1.056 502 V HN -0.079 nan 8.190 nan 0.000 0.436 503 E N 1.411 121.623 120.200 0.020 0.000 2.390 503 E HA 0.372 4.719 4.350 -0.004 0.000 0.261 503 E C -2.527 174.058 176.600 -0.025 0.000 1.076 503 E CA -1.969 54.430 56.400 -0.001 0.000 0.905 503 E CB 0.288 29.988 29.700 0.001 0.000 0.984 503 E HN 0.605 nan 8.360 nan 0.000 0.427 504 P HA -0.037 nan 4.420 nan 0.000 0.264 504 P C -0.217 177.052 177.300 -0.052 0.000 1.183 504 P CA 0.478 63.552 63.100 -0.043 0.000 0.763 504 P CB 0.369 32.054 31.700 -0.025 0.000 0.807 505 L N 4.291 125.464 121.223 -0.083 0.000 2.418 505 L HA 0.182 4.520 4.340 -0.004 0.000 0.265 505 L C 0.749 177.586 176.870 -0.056 0.000 1.143 505 L CA -0.281 54.445 54.840 -0.189 0.000 0.809 505 L CB -0.017 41.885 42.059 -0.262 0.000 1.124 505 L HN 0.547 nan 8.230 nan 0.000 0.456 506 Y N 0.959 121.276 120.300 0.028 0.000 2.845 506 Y HA -0.418 4.129 4.550 -0.004 0.000 0.468 506 Y C 1.108 177.069 175.900 0.101 0.000 1.163 506 Y CA 1.288 59.403 58.100 0.025 0.000 2.636 506 Y CB -0.737 37.642 38.460 -0.134 0.000 1.194 506 Y HN 0.580 nan 8.280 nan 0.000 0.626 507 E N 1.279 121.681 120.200 0.338 0.000 2.496 507 E HA 0.525 4.872 4.350 -0.004 0.000 0.200 507 E C 0.013 176.897 176.600 0.473 0.000 1.016 507 E CA 0.271 56.923 56.400 0.422 0.000 0.962 507 E CB 0.251 30.264 29.700 0.521 0.000 1.071 507 E HN 0.478 nan 8.360 nan 0.000 0.457 508 A N 1.692 124.680 122.820 0.280 0.000 2.445 508 A HA 0.324 4.641 4.320 -0.004 0.000 0.242 508 A C 0.196 177.863 177.584 0.140 0.000 1.075 508 A CA 0.216 52.390 52.037 0.228 0.000 0.777 508 A CB 0.394 19.466 19.000 0.120 0.000 1.013 508 A HN 0.180 nan 8.150 nan 0.000 0.493 509 R N 0.609 121.158 120.500 0.082 0.000 2.771 509 R HA 0.486 4.824 4.340 -0.004 0.000 0.274 509 R C -0.176 176.081 176.300 -0.072 0.000 0.987 509 R CA -0.418 55.614 56.100 -0.113 0.000 0.908 509 R CB 2.010 32.041 30.300 -0.447 0.000 1.213 509 R HN 0.908 nan 8.270 nan 0.000 0.468 510 S N -0.001 115.662 115.700 -0.062 0.000 2.573 510 S HA 0.002 4.469 4.470 -0.004 0.000 0.277 510 S C 0.521 175.150 174.600 0.048 0.000 1.346 510 S CA -0.459 57.742 58.200 0.002 0.000 1.034 510 S CB 0.714 63.945 63.200 0.052 0.000 0.879 510 S HN 0.557 nan 8.310 nan 0.000 0.528 511 D N 0.447 120.930 120.400 0.138 0.000 2.178 511 D HA -0.154 4.484 4.640 -0.004 0.000 0.201 511 D C 1.433 177.856 176.300 0.206 0.000 0.980 511 D CA 1.560 55.643 54.000 0.138 0.000 0.842 511 D CB -0.237 40.753 40.800 0.318 0.000 0.948 511 D HN 0.801 nan 8.370 nan 0.000 0.472 512 Y N 2.314 122.768 120.300 0.256 0.000 2.128 512 Y HA -0.235 4.313 4.550 -0.004 0.000 0.284 512 Y C 1.816 177.833 175.900 0.196 0.000 1.154 512 Y CA 1.779 60.070 58.100 0.319 0.000 1.149 512 Y CB -0.113 38.511 38.460 0.273 0.000 0.976 512 Y HN -0.183 nan 8.280 nan 0.000 0.505 513 D N 0.151 120.704 120.400 0.254 0.000 2.144 513 D HA -0.175 4.463 4.640 -0.004 0.000 0.199 513 D C 2.267 178.462 176.300 -0.175 0.000 0.984 513 D CA 1.744 55.770 54.000 0.044 0.000 0.834 513 D CB -0.320 40.471 40.800 -0.014 0.000 0.955 513 D HN 0.469 nan 8.370 nan 0.000 0.465 514 I N -0.074 120.348 120.570 -0.246 0.000 2.142 514 I HA -0.258 3.910 4.170 -0.004 0.000 0.240 514 I C 1.951 177.890 176.117 -0.297 0.000 1.078 514 I CA 0.838 61.935 61.300 -0.338 0.000 1.343 514 I CB -0.196 37.529 38.000 -0.459 0.000 1.046 514 I HN -0.101 nan 8.210 nan 0.000 0.405 515 F N 0.910 120.741 119.950 -0.198 0.000 2.234 515 F HA -0.094 4.430 4.527 -0.004 0.000 0.299 515 F C 2.542 177.769 175.800 -0.954 0.000 1.087 515 F CA 0.915 58.628 58.000 -0.480 0.000 1.340 515 F CB -1.091 37.625 39.000 -0.473 0.000 1.031 515 F HN -0.004 nan 8.300 nan 0.000 0.500 516 A N -0.025 122.333 122.820 -0.769 0.000 1.933 516 A HA -0.032 4.286 4.320 -0.004 0.000 0.218 516 A C 2.442 179.836 177.584 -0.316 0.000 1.175 516 A CA 1.694 53.330 52.037 -0.669 0.000 0.628 516 A CB -1.163 17.656 19.000 -0.300 0.000 0.814 516 A HN 0.278 nan 8.150 nan 0.000 0.444 517 A N -0.710 121.979 122.820 -0.218 0.000 1.968 517 A HA 0.097 4.415 4.320 -0.004 0.000 0.217 517 A C 2.179 179.719 177.584 -0.074 0.000 1.169 517 A CA 1.563 53.531 52.037 -0.116 0.000 0.638 517 A CB -0.677 18.259 19.000 -0.107 0.000 0.812 517 A HN 0.344 nan 8.150 nan 0.000 0.446 518 V N -0.169 119.699 119.914 -0.077 0.000 2.379 518 V HA -0.190 3.928 4.120 -0.004 0.000 0.245 518 V C 3.035 179.107 176.094 -0.035 0.000 1.044 518 V CA 1.738 64.039 62.300 0.003 0.000 1.036 518 V CB -1.157 30.727 31.823 0.102 0.000 0.664 518 V HN 0.580 nan 8.190 nan 0.000 0.453 519 A N -0.022 122.711 122.820 -0.144 0.000 1.940 519 A HA -0.273 4.045 4.320 -0.004 0.000 0.219 519 A C 2.172 179.738 177.584 -0.031 0.000 1.176 519 A CA 2.112 54.087 52.037 -0.102 0.000 0.631 519 A CB -0.492 18.398 19.000 -0.184 0.000 0.814 519 A HN 0.566 nan 8.150 nan 0.000 0.446 520 E N 0.126 120.301 120.200 -0.042 0.000 2.077 520 E HA -0.162 4.186 4.350 -0.004 0.000 0.193 520 E C 2.075 178.682 176.600 0.012 0.000 0.989 520 E CA 1.437 57.836 56.400 -0.003 0.000 0.800 520 E CB -0.191 29.504 29.700 -0.009 0.000 0.746 520 E HN 0.606 nan 8.360 nan 0.000 0.452 521 R N -0.438 120.071 120.500 0.014 0.000 2.237 521 R HA 0.047 4.385 4.340 -0.004 0.000 0.219 521 R C 1.745 178.067 176.300 0.037 0.000 1.080 521 R CA 0.746 56.864 56.100 0.031 0.000 0.995 521 R CB -0.070 30.256 30.300 0.043 0.000 0.875 521 R HN 0.246 nan 8.270 nan 0.000 0.462 522 L N -0.513 120.731 121.223 0.035 0.000 2.591 522 L HA 0.214 4.552 4.340 -0.004 0.000 0.228 522 L C 0.943 177.836 176.870 0.039 0.000 1.133 522 L CA 0.284 55.149 54.840 0.042 0.000 0.880 522 L CB 0.192 42.278 42.059 0.046 0.000 1.033 522 L HN 0.428 nan 8.230 nan 0.000 0.450 523 G N 0.682 109.503 108.800 0.035 0.000 2.136 523 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.242 523 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.242 523 G C 0.485 175.410 174.900 0.041 0.000 0.989 523 G CA -0.045 45.076 45.100 0.035 0.000 0.682 523 G HN 0.312 nan 8.290 nan 0.000 0.522 524 K N 0.137 120.566 120.400 0.048 0.000 2.934 524 K HA 0.350 4.667 4.320 -0.004 0.000 0.210 524 K C 1.864 178.519 176.600 0.092 0.000 1.122 524 K CA 0.233 56.560 56.287 0.068 0.000 1.033 524 K CB 0.635 33.181 32.500 0.076 0.000 0.779 524 K HN 0.295 nan 8.250 nan 0.000 0.459 525 G N 1.406 110.251 108.800 0.075 0.000 2.433 525 G HA2 -0.277 3.681 3.960 -0.004 0.000 0.216 525 G HA3 -0.277 3.681 3.960 -0.004 0.000 0.216 525 G C 1.476 176.460 174.900 0.140 0.000 1.186 525 G CA 1.109 46.264 45.100 0.092 0.000 0.779 525 G HN 0.360 nan 8.290 nan 0.000 0.543 526 A N 0.702 123.584 122.820 0.103 0.000 1.972 526 A HA 0.024 4.342 4.320 -0.004 0.000 0.219 526 A C 2.188 179.840 177.584 0.113 0.000 1.169 526 A CA 2.104 54.200 52.037 0.097 0.000 0.635 526 A CB -0.326 18.709 19.000 0.057 0.000 0.810 526 A HN 0.381 nan 8.150 nan 0.000 0.446 527 E N -1.146 119.123 120.200 0.116 0.000 2.110 527 E HA -0.123 4.225 4.350 -0.004 0.000 0.193 527 E C 1.592 178.281 176.600 0.148 0.000 0.988 527 E CA 1.296 57.763 56.400 0.111 0.000 0.804 527 E CB -0.343 29.416 29.700 0.099 0.000 0.745 527 E HN 0.707 nan 8.360 nan 0.000 0.458 528 F N 0.825 120.806 119.950 0.051 0.000 2.098 528 F HA -0.172 4.352 4.527 -0.004 0.000 0.294 528 F C 2.405 178.285 175.800 0.134 0.000 1.107 528 F CA 1.845 59.868 58.000 0.038 0.000 1.234 528 F CB -0.433 38.548 39.000 -0.031 0.000 1.002 528 F HN 0.071 nan 8.300 nan 0.000 0.472 529 T N -3.161 111.584 114.554 0.318 0.000 3.043 529 T HA 0.014 4.361 4.350 -0.004 0.000 0.263 529 T C 1.120 176.040 174.700 0.366 0.000 1.094 529 T CA 0.897 63.247 62.100 0.417 0.000 1.127 529 T CB -0.057 69.045 68.868 0.389 0.000 0.905 529 T HN 0.262 nan 8.240 nan 0.000 0.490 530 E N 0.635 120.944 120.200 0.182 0.000 2.971 530 E HA -0.168 4.180 4.350 -0.004 0.000 0.278 530 E C 1.055 177.596 176.600 -0.099 0.000 1.009 530 E CA 1.187 57.600 56.400 0.021 0.000 0.862 530 E CB -1.924 27.750 29.700 -0.043 0.000 1.436 530 E HN 1.151 nan 8.360 nan 0.000 0.434 531 G N -0.787 107.996 108.800 -0.028 0.000 2.166 531 G HA2 -0.399 3.559 3.960 -0.004 0.000 0.260 531 G HA3 -0.399 3.559 3.960 -0.004 0.000 0.260 531 G C 0.275 175.085 174.900 -0.150 0.000 0.986 531 G CA 0.887 45.948 45.100 -0.065 0.000 0.683 531 G HN 0.400 nan 8.290 nan 0.000 0.527 532 K N 0.633 120.884 120.400 -0.248 0.000 2.156 532 K HA 0.545 4.862 4.320 -0.004 0.000 0.250 532 K C -0.128 176.381 176.600 -0.153 0.000 0.955 532 K CA -0.433 55.594 56.287 -0.434 0.000 0.855 532 K CB 1.241 33.022 32.500 -1.199 0.000 1.101 532 K HN 0.317 nan 8.250 nan 0.000 0.434 533 D N -0.185 120.127 120.400 -0.147 0.000 2.569 533 D HA 0.022 4.660 4.640 -0.004 0.000 0.266 533 D C 0.798 177.081 176.300 -0.029 0.000 1.164 533 D CA -0.568 53.427 54.000 -0.010 0.000 1.071 533 D CB 0.556 41.339 40.800 -0.028 0.000 1.183 533 D HN 0.623 nan 8.370 nan 0.000 0.613 534 E N -0.899 119.266 120.200 -0.059 0.000 2.048 534 E HA -0.243 4.104 4.350 -0.004 0.000 0.202 534 E C 1.865 178.398 176.600 -0.112 0.000 1.021 534 E CA 1.618 57.957 56.400 -0.102 0.000 0.825 534 E CB -0.029 29.643 29.700 -0.048 0.000 0.756 534 E HN 0.340 nan 8.360 nan 0.000 0.454 535 M N -0.129 119.381 119.600 -0.150 0.000 2.296 535 M HA -0.024 4.454 4.480 -0.004 0.000 0.265 535 M C 2.337 178.444 176.300 -0.322 0.000 1.064 535 M CA 1.317 56.475 55.300 -0.238 0.000 1.109 535 M CB -1.171 31.285 32.600 -0.240 0.000 1.396 535 M HN 0.277 nan 8.290 nan 0.000 0.430 536 G N -1.099 107.520 108.800 -0.302 0.000 2.402 536 G HA2 -0.222 3.736 3.960 -0.004 0.000 0.216 536 G HA3 -0.222 3.736 3.960 -0.004 0.000 0.216 536 G C 1.424 176.029 174.900 -0.491 0.000 1.162 536 G CA 0.295 45.156 45.100 -0.399 0.000 0.777 536 G HN 0.451 nan 8.290 nan 0.000 0.539 537 W N 0.676 121.690 121.300 -0.477 0.000 2.354 537 W HA 0.038 4.696 4.660 -0.003 0.000 0.315 537 W C 2.606 178.477 176.519 -1.081 0.000 1.206 537 W CA 0.335 57.243 57.345 -0.729 0.000 1.290 537 W CB -0.213 28.914 29.460 -0.554 0.000 1.152 537 W HN 0.098 nan 8.180 nan 0.000 0.489 538 I N 0.391 120.728 120.570 -0.388 0.000 2.208 538 I HA -0.362 3.806 4.170 -0.004 0.000 0.245 538 I C 2.439 178.356 176.117 -0.334 0.000 1.097 538 I CA 1.649 62.814 61.300 -0.225 0.000 1.363 538 I CB -0.620 37.372 38.000 -0.013 0.000 1.051 538 I HN -0.028 nan 8.210 nan 0.000 0.413 539 K N 0.985 120.980 120.400 -0.675 0.000 2.097 539 K HA -0.201 4.116 4.320 -0.004 0.000 0.206 539 K C 2.319 178.648 176.600 -0.452 0.000 1.049 539 K CA 1.831 57.529 56.287 -0.981 0.000 0.933 539 K CB -0.095 31.723 32.500 -1.135 0.000 0.717 539 K HN 0.379 nan 8.250 nan 0.000 0.442 540 S N -0.089 115.345 115.700 -0.442 0.000 2.399 540 S HA -0.141 4.327 4.470 -0.004 0.000 0.231 540 S C 1.778 176.332 174.600 -0.076 0.000 1.022 540 S CA 0.894 58.922 58.200 -0.286 0.000 0.983 540 S CB -0.573 62.415 63.200 -0.353 0.000 0.803 540 S HN 0.264 nan 8.310 nan 0.000 0.480 541 F N 0.782 120.751 119.950 0.032 0.000 2.163 541 F HA 0.149 4.673 4.527 -0.004 0.000 0.297 541 F C 2.420 178.244 175.800 0.039 0.000 1.094 541 F CA -0.031 57.998 58.000 0.049 0.000 1.290 541 F CB -1.625 37.422 39.000 0.078 0.000 1.017 541 F HN 0.241 nan 8.300 nan 0.000 0.483 542 Y N 1.418 121.811 120.300 0.154 0.000 2.145 542 Y HA -0.245 4.303 4.550 -0.004 0.000 0.286 542 Y C 2.163 178.096 175.900 0.055 0.000 1.145 542 Y CA 1.918 60.082 58.100 0.106 0.000 1.148 542 Y CB -0.578 38.032 38.460 0.249 0.000 0.981 542 Y HN -0.055 nan 8.280 nan 0.000 0.507 543 D N 0.126 120.588 120.400 0.102 0.000 2.149 543 D HA -0.171 4.467 4.640 -0.004 0.000 0.198 543 D C 1.689 177.950 176.300 -0.064 0.000 0.990 543 D CA 1.688 55.702 54.000 0.023 0.000 0.839 543 D CB -0.376 40.436 40.800 0.020 0.000 0.948 543 D HN 0.440 nan 8.370 nan 0.000 0.460 544 D N -0.107 120.272 120.400 -0.036 0.000 2.117 544 D HA -0.045 4.592 4.640 -0.004 0.000 0.198 544 D C 1.989 178.235 176.300 -0.090 0.000 0.982 544 D CA 1.284 55.264 54.000 -0.035 0.000 0.828 544 D CB -0.299 40.517 40.800 0.027 0.000 0.967 544 D HN 0.143 nan 8.370 nan 0.000 0.464 545 A N 0.808 123.543 122.820 -0.141 0.000 1.902 545 A HA -0.020 4.298 4.320 -0.004 0.000 0.217 545 A C 2.277 179.710 177.584 -0.251 0.000 1.181 545 A CA 2.097 54.016 52.037 -0.196 0.000 0.623 545 A CB -0.781 18.089 19.000 -0.216 0.000 0.818 545 A HN 0.224 nan 8.150 nan 0.000 0.443 546 A N 0.213 122.820 122.820 -0.355 0.000 1.933 546 A HA -0.184 4.134 4.320 -0.004 0.000 0.218 546 A C 2.137 179.644 177.584 -0.129 0.000 1.175 546 A CA 2.049 53.927 52.037 -0.266 0.000 0.628 546 A CB -0.470 18.373 19.000 -0.261 0.000 0.814 546 A HN 0.631 nan 8.150 nan 0.000 0.444 547 K N -0.227 120.110 120.400 -0.105 0.000 2.057 547 K HA -0.233 4.084 4.320 -0.004 0.000 0.207 547 K C 2.217 178.774 176.600 -0.073 0.000 1.049 547 K CA 1.716 57.964 56.287 -0.066 0.000 0.931 547 K CB -0.279 32.191 32.500 -0.050 0.000 0.714 547 K HN 0.621 nan 8.250 nan 0.000 0.440 548 Q N 0.006 119.750 119.800 -0.094 0.000 2.119 548 Q HA -0.103 4.235 4.340 -0.004 0.000 0.201 548 Q C 1.980 177.911 176.000 -0.115 0.000 0.972 548 Q CA 1.746 57.490 55.803 -0.098 0.000 0.847 548 Q CB -0.308 28.365 28.738 -0.108 0.000 0.903 548 Q HN 0.483 nan 8.270 nan 0.000 0.433 549 G N 1.220 109.935 108.800 -0.142 0.000 2.421 549 G HA2 -0.248 3.710 3.960 -0.004 0.000 0.216 549 G HA3 -0.248 3.710 3.960 -0.004 0.000 0.216 549 G C 1.449 176.296 174.900 -0.087 0.000 1.171 549 G CA 0.676 45.687 45.100 -0.149 0.000 0.775 549 G HN 0.242 nan 8.290 nan 0.000 0.543 550 K N 0.431 120.794 120.400 -0.062 0.000 2.020 550 K HA -0.143 4.175 4.320 -0.004 0.000 0.212 550 K C 2.939 179.519 176.600 -0.034 0.000 1.050 550 K CA 1.367 57.634 56.287 -0.033 0.000 0.929 550 K CB -0.372 32.114 32.500 -0.024 0.000 0.714 550 K HN 0.253 nan 8.250 nan 0.000 0.443 551 A N 0.854 123.649 122.820 -0.042 0.000 1.940 551 A HA -0.130 4.188 4.320 -0.004 0.000 0.219 551 A C 2.115 179.675 177.584 -0.040 0.000 1.176 551 A CA 2.017 54.032 52.037 -0.038 0.000 0.631 551 A CB -0.452 18.523 19.000 -0.041 0.000 0.814 551 A HN 0.417 nan 8.150 nan 0.000 0.446 552 A N -2.065 120.722 122.820 -0.055 0.000 2.251 552 A HA 0.423 4.741 4.320 -0.004 0.000 0.209 552 A C 1.723 179.280 177.584 -0.044 0.000 1.187 552 A CA 1.147 53.150 52.037 -0.057 0.000 0.823 552 A CB -0.864 18.084 19.000 -0.087 0.000 0.846 552 A HN 1.914 nan 8.150 nan 0.000 0.486 553 G N -1.709 107.072 108.800 -0.032 0.000 2.141 553 G HA2 -0.176 3.781 3.960 -0.004 0.000 0.242 553 G HA3 -0.176 3.781 3.960 -0.004 0.000 0.242 553 G C 0.064 174.960 174.900 -0.007 0.000 0.982 553 G CA 0.145 45.236 45.100 -0.014 0.000 0.662 553 G HN 0.764 nan 8.290 nan 0.000 0.527 554 V N 1.391 121.291 119.914 -0.024 0.000 2.350 554 V HA 0.400 4.518 4.120 -0.004 0.000 0.276 554 V C 0.603 176.715 176.094 0.030 0.000 1.028 554 V CA -0.359 61.941 62.300 -0.001 0.000 0.860 554 V CB 1.443 33.223 31.823 -0.071 0.000 0.990 554 V HN 0.446 nan 8.190 nan 0.000 0.453 555 Q N 5.088 124.928 119.800 0.067 0.000 2.286 555 Q HA 0.612 4.950 4.340 -0.004 0.000 0.257 555 Q C -0.627 175.445 176.000 0.121 0.000 0.941 555 Q CA 0.200 56.049 55.803 0.077 0.000 0.912 555 Q CB 1.508 30.288 28.738 0.070 0.000 1.192 555 Q HN 0.644 nan 8.270 nan 0.000 0.410 556 M N 3.093 122.765 119.600 0.120 0.000 2.464 556 M HA 0.461 4.939 4.480 -0.004 0.000 0.308 556 M C -2.224 174.197 176.300 0.201 0.000 1.127 556 M CA -2.089 53.316 55.300 0.175 0.000 0.913 556 M CB 1.930 34.611 32.600 0.135 0.000 1.689 556 M HN 0.494 nan 8.290 nan 0.000 0.445 557 P HA 0.314 nan 4.420 nan 0.000 0.273 557 P C -0.887 176.591 177.300 0.296 0.000 1.250 557 P CA -0.480 62.755 63.100 0.225 0.000 0.793 557 P CB 0.256 32.075 31.700 0.199 0.000 1.011 558 A N 0.336 123.286 122.820 0.218 0.000 2.406 558 A HA 0.106 4.423 4.320 -0.004 0.000 0.243 558 A C 1.091 178.812 177.584 0.229 0.000 1.082 558 A CA -0.370 51.816 52.037 0.248 0.000 0.786 558 A CB -0.600 18.497 19.000 0.162 0.000 1.029 558 A HN 0.599 nan 8.150 nan 0.000 0.495 559 F N 0.642 120.649 119.950 0.096 0.000 2.063 559 F HA -0.262 4.264 4.527 -0.003 0.000 0.298 559 F C 1.687 177.487 175.800 0.001 0.000 1.109 559 F CA 2.818 60.760 58.000 -0.098 0.000 1.212 559 F CB -0.092 38.894 39.000 -0.024 0.000 0.973 559 F HN 0.671 nan 8.300 nan 0.000 0.480 560 D N 0.100 120.457 120.400 -0.071 0.000 2.178 560 D HA -0.108 4.530 4.640 -0.004 0.000 0.202 560 D C 2.331 178.553 176.300 -0.130 0.000 0.974 560 D CA 1.310 55.213 54.000 -0.162 0.000 0.841 560 D CB -0.561 40.227 40.800 -0.020 0.000 0.953 560 D HN 0.411 nan 8.370 nan 0.000 0.478 561 A N 0.501 123.290 122.820 -0.051 0.000 1.930 561 A HA -0.135 4.183 4.320 -0.004 0.000 0.217 561 A C 2.035 179.587 177.584 -0.052 0.000 1.175 561 A CA 0.815 52.836 52.037 -0.027 0.000 0.627 561 A CB -0.863 18.157 19.000 0.034 0.000 0.815 561 A HN 0.273 nan 8.150 nan 0.000 0.443 562 F N -0.663 119.159 119.950 -0.214 0.000 2.102 562 F HA -0.194 4.330 4.527 -0.004 0.000 0.298 562 F C 2.164 177.788 175.800 -0.293 0.000 1.105 562 F CA 1.662 59.505 58.000 -0.261 0.000 1.239 562 F CB -0.578 38.142 39.000 -0.468 0.000 0.991 562 F HN 0.484 nan 8.300 nan 0.000 0.474 563 W N 1.296 121.984 121.300 -1.019 0.000 2.363 563 W HA -0.205 4.454 4.660 -0.003 0.000 0.296 563 W C 2.370 178.514 176.519 -0.625 0.000 1.212 563 W CA 2.136 58.865 57.345 -1.026 0.000 1.260 563 W CB -0.564 28.354 29.460 -0.905 0.000 1.131 563 W HN 0.247 nan 8.180 nan 0.000 0.530 564 A N 0.504 123.159 122.820 -0.274 0.000 1.902 564 A HA -0.232 4.085 4.320 -0.004 0.000 0.217 564 A C 1.781 179.200 177.584 -0.275 0.000 1.181 564 A CA 1.884 53.792 52.037 -0.215 0.000 0.623 564 A CB -0.833 18.097 19.000 -0.117 0.000 0.818 564 A HN 0.435 nan 8.150 nan 0.000 0.443 565 E N -1.992 118.037 120.200 -0.285 0.000 2.152 565 E HA 0.164 4.512 4.350 -0.004 0.000 0.192 565 E C 1.488 177.868 176.600 -0.366 0.000 0.983 565 E CA 0.505 56.759 56.400 -0.243 0.000 0.818 565 E CB -0.166 29.452 29.700 -0.136 0.000 0.758 565 E HN 0.757 nan 8.360 nan 0.000 0.467 566 G N 1.384 109.808 108.800 -0.627 0.000 2.225 566 G HA2 -0.297 3.661 3.960 -0.004 0.000 0.254 566 G HA3 -0.297 3.661 3.960 -0.004 0.000 0.254 566 G C 0.175 174.717 174.900 -0.597 0.000 0.988 566 G CA 0.412 45.048 45.100 -0.773 0.000 0.625 566 G HN 0.335 nan 8.290 nan 0.000 0.527 567 I N -0.244 120.138 120.570 -0.314 0.000 2.842 567 I HA 0.573 4.741 4.170 -0.004 0.000 0.297 567 I C -1.288 174.891 176.117 0.103 0.000 1.380 567 I CA -1.157 60.108 61.300 -0.059 0.000 1.018 567 I CB 2.162 40.052 38.000 -0.183 0.000 1.311 567 I HN 0.090 nan 8.210 nan 0.000 0.439 568 V N 4.910 124.884 119.914 0.100 0.000 2.588 568 V HA 0.565 4.683 4.120 -0.004 0.000 0.304 568 V C -0.664 175.236 176.094 -0.323 0.000 1.042 568 V CA -0.632 61.648 62.300 -0.032 0.000 0.877 568 V CB 1.718 33.518 31.823 -0.040 0.000 0.996 568 V HN 0.693 nan 8.190 nan 0.000 0.425 569 E N 2.700 122.739 120.200 -0.268 0.000 2.227 569 E HA 0.686 5.034 4.350 -0.004 0.000 0.268 569 E C -1.649 174.766 176.600 -0.309 0.000 0.907 569 E CA -0.599 55.605 56.400 -0.327 0.000 0.786 569 E CB 2.354 32.026 29.700 -0.048 0.000 1.191 569 E HN 0.516 nan 8.360 nan 0.000 0.411 570 F N 1.677 121.672 119.950 0.075 0.000 2.470 570 F HA 0.416 4.941 4.527 -0.004 0.000 0.329 570 F C -1.899 173.935 175.800 0.057 0.000 1.072 570 F CA -2.773 55.260 58.000 0.055 0.000 0.989 570 F CB 0.369 39.391 39.000 0.037 0.000 1.193 570 F HN 0.220 nan 8.300 nan 0.000 0.481 571 P HA 0.284 nan 4.420 nan 0.000 0.282 571 P C -0.926 176.454 177.300 0.134 0.000 1.249 571 P CA -0.317 62.876 63.100 0.154 0.000 0.806 571 P CB 1.547 33.319 31.700 0.119 0.000 0.984 572 V N 2.802 122.781 119.914 0.110 0.000 2.432 572 V HA 0.176 4.294 4.120 -0.004 0.000 0.275 572 V C 1.549 177.689 176.094 0.076 0.000 1.043 572 V CA 0.302 62.659 62.300 0.095 0.000 0.925 572 V CB 0.687 32.569 31.823 0.099 0.000 0.985 572 V HN 0.847 nan 8.190 nan 0.000 0.466 573 T N 0.987 115.580 114.554 0.064 0.000 3.535 573 T HA 0.050 4.397 4.350 -0.004 0.000 0.223 573 T C 0.983 175.718 174.700 0.059 0.000 0.933 573 T CA 0.714 62.847 62.100 0.054 0.000 1.445 573 T CB -0.139 68.754 68.868 0.041 0.000 1.286 573 T HN 0.621 nan 8.240 nan 0.000 0.436 574 D N 0.865 121.300 120.400 0.058 0.000 2.395 574 D HA 0.254 4.892 4.640 -0.004 0.000 0.213 574 D C 1.942 178.297 176.300 0.091 0.000 1.110 574 D CA 0.228 54.271 54.000 0.071 0.000 0.835 574 D CB -0.678 40.162 40.800 0.066 0.000 0.965 574 D HN 0.573 nan 8.370 nan 0.000 0.505 575 G N 0.900 109.749 108.800 0.082 0.000 2.462 575 G HA2 -0.175 3.783 3.960 -0.004 0.000 0.220 575 G HA3 -0.175 3.783 3.960 -0.004 0.000 0.220 575 G C 1.538 176.518 174.900 0.133 0.000 1.121 575 G CA 0.800 45.954 45.100 0.089 0.000 0.758 575 G HN 0.457 nan 8.290 nan 0.000 0.559 576 A N 0.080 122.976 122.820 0.127 0.000 2.206 576 A HA 0.133 4.451 4.320 -0.004 0.000 0.211 576 A C 1.647 179.313 177.584 0.138 0.000 1.158 576 A CA 1.342 53.461 52.037 0.138 0.000 0.761 576 A CB 0.024 19.096 19.000 0.120 0.000 0.801 576 A HN 0.216 nan 8.150 nan 0.000 0.473 577 D N -1.634 118.848 120.400 0.137 0.000 2.369 577 D HA 0.141 4.779 4.640 -0.004 0.000 0.211 577 D C -0.217 176.157 176.300 0.123 0.000 1.077 577 D CA -0.278 53.789 54.000 0.111 0.000 0.842 577 D CB -0.069 40.783 40.800 0.087 0.000 0.947 577 D HN 0.369 nan 8.370 nan 0.000 0.509 578 F N 1.999 121.960 119.950 0.019 0.000 2.578 578 F HA 0.088 4.612 4.527 -0.003 0.000 0.381 578 F C -0.143 175.649 175.800 -0.014 0.000 1.069 578 F CA -0.092 57.906 58.000 -0.002 0.000 1.231 578 F CB 0.509 39.501 39.000 -0.012 0.000 1.086 578 F HN -0.355 nan 8.300 nan 0.000 0.564 579 V N 7.882 127.317 119.914 -0.797 0.000 2.376 579 V HA 0.329 4.447 4.120 -0.004 0.000 0.287 579 V C 0.131 175.643 176.094 -0.970 0.000 1.015 579 V CA -1.015 60.893 62.300 -0.652 0.000 0.834 579 V CB 1.286 32.929 31.823 -0.299 0.000 1.001 579 V HN 0.700 nan 8.190 nan 0.000 0.428 580 R N 3.214 123.205 120.500 -0.849 0.000 2.570 580 R HA 0.167 4.505 4.340 -0.004 0.000 0.277 580 R C 0.068 176.230 176.300 -0.229 0.000 1.039 580 R CA 0.485 56.235 56.100 -0.583 0.000 1.065 580 R CB 0.014 30.140 30.300 -0.289 0.000 0.964 580 R HN 0.713 nan 8.270 nan 0.000 0.428 581 Y N 0.211 120.425 120.300 -0.143 0.000 4.929 581 Y HA -0.357 4.191 4.550 -0.003 0.000 0.253 581 Y C 1.332 177.252 175.900 0.034 0.000 0.946 581 Y CA 0.893 59.001 58.100 0.013 0.000 1.905 581 Y CB -2.058 36.439 38.460 0.061 0.000 1.400 581 Y HN 0.784 nan 8.280 nan 0.000 0.531 582 A N 0.221 123.047 122.820 0.009 0.000 1.902 582 A HA -0.211 4.107 4.320 -0.004 0.000 0.217 582 A C 2.283 179.904 177.584 0.062 0.000 1.181 582 A CA 2.515 54.553 52.037 0.003 0.000 0.623 582 A CB -0.881 18.068 19.000 -0.085 0.000 0.818 582 A HN 0.804 nan 8.150 nan 0.000 0.443 583 S N -1.246 114.504 115.700 0.082 0.000 2.387 583 S HA -0.139 4.329 4.470 -0.004 0.000 0.226 583 S C 1.830 176.548 174.600 0.196 0.000 1.026 583 S CA 1.288 59.555 58.200 0.112 0.000 0.972 583 S CB -0.703 62.555 63.200 0.096 0.000 0.814 583 S HN 0.537 nan 8.310 nan 0.000 0.477 584 F N 3.080 123.098 119.950 0.113 0.000 2.102 584 F HA 0.051 4.576 4.527 -0.004 0.000 0.298 584 F C 2.632 178.557 175.800 0.207 0.000 1.105 584 F CA 1.593 59.701 58.000 0.179 0.000 1.239 584 F CB -0.597 38.565 39.000 0.271 0.000 0.991 584 F HN 0.128 nan 8.300 nan 0.000 0.474 585 R N 0.364 120.873 120.500 0.014 0.000 2.081 585 R HA -0.214 4.124 4.340 -0.004 0.000 0.235 585 R C 2.419 178.723 176.300 0.006 0.000 1.131 585 R CA 1.876 57.872 56.100 -0.173 0.000 0.960 585 R CB -0.567 29.665 30.300 -0.112 0.000 0.856 585 R HN 0.530 nan 8.270 nan 0.000 0.436 586 E N -0.357 119.865 120.200 0.036 0.000 2.077 586 E HA -0.188 4.160 4.350 -0.004 0.000 0.193 586 E C -0.349 176.276 176.600 0.042 0.000 0.989 586 E CA 1.241 57.667 56.400 0.042 0.000 0.800 586 E CB 0.218 29.942 29.700 0.039 0.000 0.746 586 E HN 0.115 nan 8.360 nan 0.000 0.452 587 D N -1.421 119.006 120.400 0.046 0.000 2.351 587 D HA 0.096 4.734 4.640 -0.004 0.000 0.235 587 D C -2.236 174.087 176.300 0.038 0.000 1.331 587 D CA -1.541 52.474 54.000 0.025 0.000 0.959 587 D CB 1.536 42.354 40.800 0.030 0.000 1.432 587 D HN -0.076 nan 8.370 nan 0.000 0.544 588 P HA -0.033 nan 4.420 nan 0.000 0.223 588 P C 1.631 178.978 177.300 0.079 0.000 1.151 588 P CA 0.400 63.504 63.100 0.006 0.000 0.787 588 P CB 0.666 32.209 31.700 -0.263 0.000 0.788 589 L N -1.422 119.811 121.223 0.016 0.000 2.131 589 L HA -0.031 4.307 4.340 -0.004 0.000 0.206 589 L C 2.580 179.478 176.870 0.047 0.000 1.087 589 L CA 0.745 55.599 54.840 0.024 0.000 0.767 589 L CB -0.938 41.115 42.059 -0.009 0.000 0.917 589 L HN -0.052 nan 8.230 nan 0.000 0.441 590 L N -0.508 120.744 121.223 0.049 0.000 2.209 590 L HA 0.086 4.424 4.340 -0.004 0.000 0.207 590 L C 0.705 177.622 176.870 0.079 0.000 1.094 590 L CA 1.305 56.177 54.840 0.053 0.000 0.790 590 L CB 0.029 42.114 42.059 0.043 0.000 0.932 590 L HN 0.240 nan 8.230 nan 0.000 0.447 591 N N 0.989 119.763 118.700 0.123 0.000 2.818 591 N HA 0.309 5.046 4.740 -0.004 0.000 0.301 591 N C -2.619 173.054 175.510 0.272 0.000 1.821 591 N CA -1.080 52.071 53.050 0.167 0.000 0.930 591 N CB 0.538 39.134 38.487 0.181 0.000 1.263 591 N HN 0.231 nan 8.380 nan 0.000 0.487 592 P HA 0.182 nan 4.420 nan 0.000 0.274 592 P C 0.346 177.710 177.300 0.107 0.000 1.246 592 P CA -0.339 62.906 63.100 0.241 0.000 0.795 592 P CB 1.588 33.376 31.700 0.147 0.000 1.006 593 L N 0.413 121.628 121.223 -0.013 0.000 2.466 593 L HA 0.285 4.623 4.340 -0.004 0.000 0.257 593 L C 1.903 178.751 176.870 -0.038 0.000 1.189 593 L CA -0.295 54.475 54.840 -0.116 0.000 0.813 593 L CB -0.006 41.901 42.059 -0.253 0.000 1.118 593 L HN 0.514 nan 8.230 nan 0.000 0.471 594 G N 0.138 108.912 108.800 -0.044 0.000 3.452 594 G HA2 0.134 4.092 3.960 -0.004 0.000 0.258 594 G HA3 0.134 4.092 3.960 -0.004 0.000 0.258 594 G C 0.442 175.316 174.900 -0.044 0.000 1.305 594 G CA -0.122 44.956 45.100 -0.037 0.000 1.514 594 G HN 0.663 nan 8.290 nan 0.000 0.593 595 T N -3.361 111.176 114.554 -0.030 0.000 2.936 595 T HA 0.518 4.866 4.350 -0.004 0.000 0.282 595 T C -1.515 173.186 174.700 0.002 0.000 1.003 595 T CA -1.716 60.371 62.100 -0.021 0.000 1.005 595 T CB 2.313 71.178 68.868 -0.004 0.000 1.097 595 T HN -0.149 nan 8.240 nan 0.000 0.532 596 P HA -0.083 nan 4.420 nan 0.000 0.215 596 P C 1.678 178.998 177.300 0.033 0.000 1.153 596 P CA 1.527 64.640 63.100 0.021 0.000 0.853 596 P CB -0.224 31.494 31.700 0.029 0.000 0.788 597 T N -5.875 108.708 114.554 0.048 0.000 3.067 597 T HA 0.285 4.633 4.350 -0.004 0.000 0.257 597 T C 1.618 176.357 174.700 0.065 0.000 1.105 597 T CA 0.667 62.802 62.100 0.058 0.000 1.104 597 T CB -0.714 68.199 68.868 0.076 0.000 0.925 597 T HN 0.241 nan 8.240 nan 0.000 0.498 598 G N 0.968 109.806 108.800 0.062 0.000 2.176 598 G HA2 -0.184 3.774 3.960 -0.004 0.000 0.253 598 G HA3 -0.184 3.774 3.960 -0.004 0.000 0.253 598 G C -0.114 174.871 174.900 0.140 0.000 0.979 598 G CA 0.367 45.516 45.100 0.083 0.000 0.641 598 G HN 0.633 nan 8.290 nan 0.000 0.530 599 L N -0.449 120.854 121.223 0.134 0.000 2.235 599 L HA 0.676 5.014 4.340 -0.004 0.000 0.260 599 L C 0.777 177.727 176.870 0.133 0.000 1.025 599 L CA -1.613 53.356 54.840 0.214 0.000 0.836 599 L CB 1.396 43.573 42.059 0.198 0.000 1.395 599 L HN -0.028 nan 8.230 nan 0.000 0.443 600 I N 1.080 121.766 120.570 0.194 0.000 2.517 600 I HA 0.017 4.185 4.170 -0.004 0.000 0.285 600 I C 0.103 176.321 176.117 0.168 0.000 1.106 600 I CA 0.271 61.658 61.300 0.144 0.000 1.402 600 I CB 0.229 38.350 38.000 0.202 0.000 1.399 600 I HN 0.459 nan 8.210 nan 0.000 0.535 601 E N 7.151 127.439 120.200 0.148 0.000 2.001 601 E HA 0.201 4.548 4.350 -0.004 0.000 0.279 601 E C 0.714 177.512 176.600 0.330 0.000 1.045 601 E CA -0.159 56.362 56.400 0.203 0.000 0.833 601 E CB 1.165 30.952 29.700 0.145 0.000 1.077 601 E HN 0.631 nan 8.360 nan 0.000 0.397 602 I N 2.072 122.826 120.570 0.307 0.000 2.500 602 I HA -0.131 4.037 4.170 -0.004 0.000 0.252 602 I C 0.521 176.808 176.117 0.283 0.000 1.142 602 I CA 0.771 62.219 61.300 0.247 0.000 1.451 602 I CB 0.211 38.287 38.000 0.126 0.000 1.093 602 I HN 0.436 nan 8.210 nan 0.000 0.430 603 Y N 0.562 120.994 120.300 0.220 0.000 2.364 603 Y HA 0.424 4.972 4.550 -0.004 0.000 0.340 603 Y C -0.101 175.945 175.900 0.244 0.000 0.975 603 Y CA -0.902 57.337 58.100 0.232 0.000 1.089 603 Y CB 1.621 40.175 38.460 0.158 0.000 1.192 603 Y HN -0.242 nan 8.280 nan 0.000 0.454 604 S N 5.533 121.187 115.700 -0.077 0.000 2.474 604 S HA 0.319 4.787 4.470 -0.004 0.000 0.321 604 S C 0.468 174.990 174.600 -0.129 0.000 1.080 604 S CA -0.684 57.502 58.200 -0.025 0.000 1.106 604 S CB 0.840 63.995 63.200 -0.075 0.000 0.984 604 S HN 0.928 nan 8.310 nan 0.000 0.464 605 K N 3.384 123.827 120.400 0.072 0.000 2.148 605 K HA -0.047 4.270 4.320 -0.004 0.000 0.204 605 K C 2.035 178.622 176.600 -0.020 0.000 1.050 605 K CA 0.876 57.218 56.287 0.090 0.000 0.942 605 K CB -0.065 32.515 32.500 0.133 0.000 0.724 605 K HN 0.566 nan 8.250 nan 0.000 0.446 606 N N 1.105 119.780 118.700 -0.043 0.000 2.084 606 N HA -0.144 4.594 4.740 -0.004 0.000 0.190 606 N C 1.706 177.103 175.510 -0.188 0.000 1.030 606 N CA 1.280 54.281 53.050 -0.082 0.000 0.849 606 N CB 0.035 38.508 38.487 -0.023 0.000 1.012 606 N HN 0.143 nan 8.380 nan 0.000 0.423 607 I N 1.095 121.505 120.570 -0.267 0.000 2.439 607 I HA -0.175 3.992 4.170 -0.004 0.000 0.251 607 I C 2.478 178.430 176.117 -0.274 0.000 1.139 607 I CA 0.689 61.788 61.300 -0.335 0.000 1.438 607 I CB -0.281 37.505 38.000 -0.356 0.000 1.085 607 I HN 0.260 nan 8.210 nan 0.000 0.427 608 E N 1.862 121.924 120.200 -0.230 0.000 2.085 608 E HA -0.279 4.069 4.350 -0.004 0.000 0.194 608 E C 1.982 178.495 176.600 -0.145 0.000 0.994 608 E CA 1.467 57.767 56.400 -0.167 0.000 0.801 608 E CB 0.074 29.738 29.700 -0.061 0.000 0.743 608 E HN 0.437 nan 8.360 nan 0.000 0.453 609 K N -0.277 120.038 120.400 -0.141 0.000 2.283 609 K HA -0.066 4.252 4.320 -0.004 0.000 0.202 609 K C 2.108 178.577 176.600 -0.217 0.000 1.048 609 K CA 1.259 57.464 56.287 -0.137 0.000 0.948 609 K CB -0.035 32.406 32.500 -0.100 0.000 0.742 609 K HN 0.258 nan 8.250 nan 0.000 0.458 610 M N -0.483 118.910 119.600 -0.346 0.000 2.319 610 M HA 0.017 4.494 4.480 -0.004 0.000 0.265 610 M C 1.088 177.033 176.300 -0.593 0.000 1.068 610 M CA 1.121 56.064 55.300 -0.595 0.000 1.118 610 M CB -0.071 31.938 32.600 -0.985 0.000 1.395 610 M HN 0.347 nan 8.290 nan 0.000 0.435 611 G N 0.788 109.365 108.800 -0.372 0.000 2.295 611 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.287 611 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.287 611 G C -0.692 174.154 174.900 -0.091 0.000 1.055 611 G CA -0.268 44.716 45.100 -0.194 0.000 0.922 611 G HN 0.375 nan 8.290 nan 0.000 0.503 612 Y N 0.888 121.148 120.300 -0.067 0.000 2.336 612 Y HA 0.294 4.841 4.550 -0.004 0.000 0.335 612 Y C 1.695 177.562 175.900 -0.055 0.000 1.046 612 Y CA -1.450 56.618 58.100 -0.052 0.000 1.198 612 Y CB 1.017 39.442 38.460 -0.058 0.000 1.182 612 Y HN 0.330 nan 8.280 nan 0.000 0.502 613 D N 0.419 120.895 120.400 0.126 0.000 2.178 613 D HA -0.190 4.447 4.640 -0.004 0.000 0.201 613 D C 0.554 176.861 176.300 0.011 0.000 0.980 613 D CA 1.376 55.401 54.000 0.042 0.000 0.842 613 D CB -0.259 40.564 40.800 0.038 0.000 0.948 613 D HN 0.621 nan 8.370 nan 0.000 0.472 614 D N -0.836 119.593 120.400 0.048 0.000 2.342 614 D HA 0.058 4.695 4.640 -0.004 0.000 0.221 614 D C -0.199 176.120 176.300 0.031 0.000 1.101 614 D CA -0.646 53.377 54.000 0.038 0.000 0.837 614 D CB -0.648 40.236 40.800 0.141 0.000 0.938 614 D HN 0.184 nan 8.370 nan 0.000 0.508 615 C N 1.368 120.693 119.300 0.042 0.000 3.384 615 C HA 0.410 4.867 4.460 -0.004 0.000 0.294 615 C C -2.686 172.313 174.990 0.014 0.000 1.062 615 C CA -1.483 57.567 59.018 0.053 0.000 1.325 615 C CB -0.501 27.303 27.740 0.107 0.000 1.793 615 C HN 0.054 nan 8.230 nan 0.000 0.563 616 P HA 0.233 nan 4.420 nan 0.000 0.272 616 P C 0.424 177.607 177.300 -0.195 0.000 1.254 616 P CA 0.173 63.144 63.100 -0.215 0.000 0.795 616 P CB 0.712 32.167 31.700 -0.408 0.000 1.022 617 A N -0.236 122.376 122.820 -0.347 0.000 2.238 617 A HA 0.092 4.410 4.320 -0.004 0.000 0.208 617 A C 0.291 177.630 177.584 -0.408 0.000 1.177 617 A CA 0.900 52.696 52.037 -0.401 0.000 0.804 617 A CB -1.296 17.248 19.000 -0.759 0.000 0.823 617 A HN 0.802 nan 8.150 nan 0.000 0.482 618 H N -4.686 114.104 119.070 -0.465 0.000 3.016 618 H HA 0.618 5.171 4.556 -0.004 0.000 0.362 618 H C -3.581 171.084 175.328 -1.104 0.000 1.233 618 H CA -2.887 52.689 56.048 -0.786 0.000 1.124 618 H CB -0.048 29.593 29.762 -0.203 0.000 1.850 618 H HN -0.184 nan 8.280 nan 0.000 0.549 619 P HA 0.137 nan 4.420 nan 0.000 0.262 619 P C -0.657 176.550 177.300 -0.155 0.000 1.182 619 P CA 0.376 63.046 63.100 -0.717 0.000 0.761 619 P CB 0.460 31.762 31.700 -0.663 0.000 0.795 620 T N 3.437 117.893 114.554 -0.162 0.000 2.933 620 T HA 0.242 4.590 4.350 -0.004 0.000 0.305 620 T C -1.339 173.430 174.700 0.115 0.000 1.092 620 T CA -0.545 61.487 62.100 -0.113 0.000 1.008 620 T CB 1.100 69.735 68.868 -0.388 0.000 1.102 620 T HN 0.411 nan 8.240 nan 0.000 0.469 621 W N 5.979 127.401 121.300 0.203 0.000 2.345 621 W HA 0.604 5.261 4.660 -0.004 0.000 0.308 621 W C -1.594 174.981 176.519 0.093 0.000 1.273 621 W CA -0.549 56.921 57.345 0.208 0.000 1.243 621 W CB 0.303 30.020 29.460 0.427 0.000 1.260 621 W HN 0.563 nan 8.180 nan 0.000 0.509 622 M N 4.693 123.719 119.600 -0.955 0.000 2.518 622 M HA 0.168 4.646 4.480 -0.004 0.000 0.300 622 M C -0.085 175.582 176.300 -1.055 0.000 1.175 622 M CA -0.817 53.950 55.300 -0.889 0.000 0.890 622 M CB 2.471 34.509 32.600 -0.937 0.000 1.710 622 M HN 0.245 nan 8.290 nan 0.000 0.453 623 E N 3.773 123.652 120.200 -0.536 0.000 2.344 623 E HA 0.264 4.612 4.350 -0.004 0.000 0.270 623 E C -2.276 174.292 176.600 -0.054 0.000 1.021 623 E CA -1.193 55.048 56.400 -0.264 0.000 0.887 623 E CB 0.410 30.104 29.700 -0.010 0.000 0.997 623 E HN 0.316 nan 8.360 nan 0.000 0.429 624 P HA 0.050 nan 4.420 nan 0.000 0.278 624 P C 0.967 178.420 177.300 0.254 0.000 1.266 624 P CA -0.557 62.652 63.100 0.181 0.000 0.807 624 P CB 0.922 32.706 31.700 0.140 0.000 1.094 625 L N -0.297 121.131 121.223 0.342 0.000 2.021 625 L HA -0.139 4.199 4.340 -0.004 0.000 0.215 625 L C 0.807 177.729 176.870 0.087 0.000 1.074 625 L CA 2.025 56.922 54.840 0.094 0.000 0.760 625 L CB -0.745 41.242 42.059 -0.119 0.000 0.889 625 L HN 0.643 nan 8.230 nan 0.000 0.433 626 E N -1.074 119.189 120.200 0.104 0.000 2.352 626 E HA 0.538 4.885 4.350 -0.004 0.000 0.280 626 E C -1.037 175.653 176.600 0.150 0.000 0.930 626 E CA -0.992 55.475 56.400 0.112 0.000 0.765 626 E CB 1.534 31.291 29.700 0.095 0.000 1.219 626 E HN 0.405 nan 8.360 nan 0.000 0.434 627 R N 1.090 121.686 120.500 0.159 0.000 2.710 627 R HA 0.494 4.832 4.340 -0.004 0.000 0.270 627 R C -1.303 175.096 176.300 0.165 0.000 1.021 627 R CA -1.175 55.041 56.100 0.194 0.000 0.889 627 R CB 0.887 31.309 30.300 0.204 0.000 1.243 627 R HN 0.466 nan 8.270 nan 0.000 0.464 628 L N 2.778 124.103 121.223 0.171 0.000 2.559 628 L HA 0.125 4.463 4.340 -0.004 0.000 0.274 628 L C -0.439 176.478 176.870 0.078 0.000 1.205 628 L CA 1.174 56.087 54.840 0.123 0.000 0.907 628 L CB -0.396 41.724 42.059 0.102 0.000 1.153 628 L HN 0.811 nan 8.230 nan 0.000 0.490 629 D N 2.408 122.845 120.400 0.061 0.000 2.945 629 D HA -0.167 4.471 4.640 -0.004 0.000 0.225 629 D C 0.457 176.786 176.300 0.049 0.000 1.158 629 D CA 1.220 55.242 54.000 0.038 0.000 0.805 629 D CB -1.473 39.333 40.800 0.010 0.000 1.098 629 D HN 0.888 nan 8.370 nan 0.000 0.426 630 G N 0.434 109.280 108.800 0.076 0.000 2.507 630 G HA2 0.500 4.458 3.960 -0.004 0.000 0.271 630 G HA3 0.500 4.458 3.960 -0.004 0.000 0.271 630 G C -2.221 172.721 174.900 0.070 0.000 1.189 630 G CA -0.938 44.218 45.100 0.094 0.000 0.859 630 G HN -0.062 nan 8.290 nan 0.000 0.542 631 P HA 0.138 nan 4.420 nan 0.000 0.262 631 P C 0.854 178.184 177.300 0.049 0.000 1.199 631 P CA 1.109 64.244 63.100 0.058 0.000 0.763 631 P CB 0.805 32.546 31.700 0.069 0.000 0.790 632 G N 2.462 111.280 108.800 0.031 0.000 2.168 632 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.257 632 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.257 632 G C 0.436 175.344 174.900 0.013 0.000 0.997 632 G CA 0.039 45.150 45.100 0.018 0.000 0.708 632 G HN 0.899 nan 8.290 nan 0.000 0.520 633 A N -0.353 122.480 122.820 0.023 0.000 2.488 633 A HA 0.605 4.923 4.320 -0.004 0.000 0.249 633 A C 1.315 178.883 177.584 -0.026 0.000 1.083 633 A CA 1.288 53.340 52.037 0.026 0.000 0.768 633 A CB 0.444 19.477 19.000 0.055 0.000 1.017 633 A HN 0.591 nan 8.150 nan 0.000 0.496 634 K N 1.531 121.889 120.400 -0.070 0.000 2.137 634 K HA 0.011 4.329 4.320 -0.004 0.000 0.202 634 K C -0.612 175.747 176.600 -0.402 0.000 1.052 634 K CA 0.868 56.995 56.287 -0.267 0.000 0.961 634 K CB -0.073 32.193 32.500 -0.391 0.000 0.741 634 K HN 0.716 nan 8.250 nan 0.000 0.452 635 Y N 0.196 120.493 120.300 -0.005 0.000 2.420 635 Y HA 0.238 4.786 4.550 -0.004 0.000 0.334 635 Y C -1.690 174.204 175.900 -0.010 0.000 1.094 635 Y CA -2.480 55.604 58.100 -0.027 0.000 1.126 635 Y CB 1.521 39.947 38.460 -0.056 0.000 1.217 635 Y HN 0.041 nan 8.280 nan 0.000 0.462 636 P HA 0.118 nan 4.420 nan 0.000 0.252 636 P C -0.564 176.784 177.300 0.081 0.000 1.218 636 P CA 0.812 63.962 63.100 0.084 0.000 0.807 636 P CB 1.158 32.894 31.700 0.059 0.000 1.072 637 L N -0.180 121.093 121.223 0.083 0.000 2.365 637 L HA 0.451 4.789 4.340 -0.004 0.000 0.273 637 L C 0.033 176.955 176.870 0.087 0.000 1.000 637 L CA -1.161 53.724 54.840 0.076 0.000 0.819 637 L CB 1.928 44.012 42.059 0.043 0.000 1.284 637 L HN -0.102 nan 8.230 nan 0.000 0.418 638 H N 3.166 122.259 119.070 0.038 0.000 2.548 638 H HA 0.462 5.016 4.556 -0.004 0.000 0.331 638 H C -0.661 174.690 175.328 0.038 0.000 1.093 638 H CA -0.208 55.867 56.048 0.045 0.000 1.367 638 H CB 0.918 30.715 29.762 0.059 0.000 1.455 638 H HN 0.410 nan 8.280 nan 0.000 0.519 639 I N 4.689 125.019 120.570 -0.400 0.000 2.297 639 I HA 0.235 4.403 4.170 -0.004 0.000 0.291 639 I C 0.136 176.225 176.117 -0.047 0.000 1.033 639 I CA -0.830 60.382 61.300 -0.145 0.000 1.253 639 I CB 1.241 39.159 38.000 -0.138 0.000 1.396 639 I HN 0.712 nan 8.210 nan 0.000 0.476 640 A N 5.958 128.886 122.820 0.181 0.000 2.785 640 A HA 0.453 4.771 4.320 -0.004 0.000 0.294 640 A C 0.915 178.610 177.584 0.185 0.000 1.597 640 A CA -0.284 51.906 52.037 0.255 0.000 1.283 640 A CB -0.341 18.799 19.000 0.233 0.000 1.088 640 A HN 0.847 nan 8.150 nan 0.000 0.568 641 A N 3.268 126.194 122.820 0.177 0.000 3.118 641 A HA 0.494 4.812 4.320 -0.004 0.000 0.256 641 A C 1.045 178.800 177.584 0.285 0.000 1.667 641 A CA 0.247 52.393 52.037 0.182 0.000 1.338 641 A CB -0.946 18.122 19.000 0.113 0.000 1.127 641 A HN 1.128 nan 8.150 nan 0.000 0.634 642 S N 0.065 115.993 115.700 0.379 0.000 2.690 642 S HA 0.441 4.909 4.470 -0.004 0.000 0.285 642 S C 0.039 174.946 174.600 0.512 0.000 1.135 642 S CA -0.649 57.836 58.200 0.474 0.000 1.020 642 S CB 0.199 63.653 63.200 0.424 0.000 1.159 642 S HN 0.609 nan 8.310 nan 0.000 0.534 643 H N 2.084 121.256 119.070 0.170 0.000 2.683 643 H HA 0.284 4.837 4.556 -0.004 0.000 0.339 643 H C -2.155 172.906 175.328 -0.446 0.000 1.081 643 H CA -1.572 54.460 56.048 -0.027 0.000 1.432 643 H CB 0.572 30.323 29.762 -0.017 0.000 1.462 643 H HN 0.493 nan 8.280 nan 0.000 0.557 644 P HA -0.098 nan 4.420 nan 0.000 0.271 644 P C 0.271 177.195 177.300 -0.626 0.000 1.216 644 P CA 0.175 62.711 63.100 -0.941 0.000 0.776 644 P CB 0.760 32.253 31.700 -0.345 0.000 0.881 645 F N 2.974 122.492 119.950 -0.720 0.000 2.163 645 F HA -0.026 4.499 4.527 -0.003 0.000 0.297 645 F C 1.542 177.278 175.800 -0.106 0.000 1.094 645 F CA 1.472 59.330 58.000 -0.238 0.000 1.290 645 F CB 0.059 39.030 39.000 -0.049 0.000 1.017 645 F HN 0.246 nan 8.300 nan 0.000 0.483 646 N N 0.677 119.449 118.700 0.119 0.000 2.321 646 N HA 0.178 4.915 4.740 -0.004 0.000 0.242 646 N C -0.564 175.006 175.510 0.100 0.000 1.141 646 N CA 0.147 53.282 53.050 0.141 0.000 0.864 646 N CB 0.473 39.073 38.487 0.189 0.000 1.100 646 N HN 0.254 nan 8.380 nan 0.000 0.510 647 R N -0.019 120.513 120.500 0.053 0.000 2.817 647 R HA 0.397 4.735 4.340 -0.004 0.000 0.268 647 R C -1.293 175.071 176.300 0.107 0.000 1.027 647 R CA -0.910 55.273 56.100 0.138 0.000 0.928 647 R CB 1.653 32.015 30.300 0.102 0.000 1.228 647 R HN -0.073 nan 8.270 nan 0.000 0.469 648 L N 2.813 124.148 121.223 0.188 0.000 2.297 648 L HA 0.326 4.664 4.340 -0.004 0.000 0.277 648 L C 0.141 176.921 176.870 -0.149 0.000 1.040 648 L CA 0.365 55.114 54.840 -0.151 0.000 0.867 648 L CB -0.451 41.482 42.059 -0.211 0.000 1.244 648 L HN 0.666 nan 8.230 nan 0.000 0.433 649 H N 1.684 120.704 119.070 -0.084 0.000 1.452 649 H HA -0.294 4.259 4.556 -0.004 0.000 0.090 649 H C 1.448 176.853 175.328 0.130 0.000 0.629 649 H CA 1.794 57.818 56.048 -0.040 0.000 1.901 649 H CB -1.658 28.077 29.762 -0.046 0.000 2.257 649 H HN 0.689 nan 8.280 nan 0.000 0.961 650 S N 2.668 118.610 115.700 0.405 0.000 2.528 650 S HA 0.049 4.517 4.470 -0.004 0.000 0.219 650 S C 0.646 175.582 174.600 0.561 0.000 0.985 650 S CA 0.358 58.869 58.200 0.519 0.000 0.914 650 S CB 0.167 63.706 63.200 0.566 0.000 0.776 650 S HN 0.424 nan 8.310 nan 0.000 0.526 651 Q N 1.082 121.156 119.800 0.457 0.000 2.330 651 Q HA 0.328 4.665 4.340 -0.004 0.000 0.279 651 Q C 0.274 176.508 176.000 0.390 0.000 1.024 651 Q CA 0.598 56.690 55.803 0.481 0.000 0.900 651 Q CB 0.338 29.423 28.738 0.577 0.000 1.221 651 Q HN 0.514 nan 8.270 nan 0.000 0.396 652 L N 0.404 121.811 121.223 0.308 0.000 4.950 652 L HA -0.324 4.014 4.340 -0.004 0.000 0.413 652 L C 1.251 178.114 176.870 -0.012 0.000 1.020 652 L CA 0.171 55.087 54.840 0.128 0.000 1.239 652 L CB -1.432 40.675 42.059 0.081 0.000 2.004 652 L HN 0.634 nan 8.230 nan 0.000 0.658 653 N N 1.708 120.331 118.700 -0.127 0.000 2.166 653 N HA -0.055 4.683 4.740 -0.004 0.000 0.186 653 N C 1.412 176.478 175.510 -0.740 0.000 1.019 653 N CA 1.789 54.571 53.050 -0.448 0.000 0.856 653 N CB -0.021 37.956 38.487 -0.849 0.000 0.993 653 N HN 0.499 nan 8.380 nan 0.000 0.426 654 G N 0.004 108.345 108.800 -0.765 0.000 3.741 654 G HA2 0.264 4.222 3.960 -0.004 0.000 0.263 654 G HA3 0.264 4.222 3.960 -0.004 0.000 0.263 654 G C -0.174 174.614 174.900 -0.187 0.000 1.175 654 G CA 0.195 45.017 45.100 -0.464 0.000 1.642 654 G HN 0.420 nan 8.290 nan 0.000 0.644 655 T N -3.838 110.565 114.554 -0.253 0.000 2.778 655 T HA 0.368 4.716 4.350 -0.004 0.000 0.293 655 T C 1.408 175.975 174.700 -0.221 0.000 1.144 655 T CA 0.139 62.141 62.100 -0.163 0.000 1.010 655 T CB 1.318 70.118 68.868 -0.113 0.000 1.325 655 T HN 0.424 nan 8.240 nan 0.000 0.515 656 V N 0.031 119.843 119.914 -0.170 0.000 2.720 656 V HA 0.005 4.123 4.120 -0.004 0.000 0.256 656 V C 2.327 178.303 176.094 -0.198 0.000 1.082 656 V CA 1.262 63.456 62.300 -0.177 0.000 1.101 656 V CB -1.574 30.167 31.823 -0.137 0.000 0.693 656 V HN 0.778 nan 8.190 nan 0.000 0.479 657 L N -0.092 121.027 121.223 -0.173 0.000 2.191 657 L HA -0.137 4.201 4.340 -0.004 0.000 0.212 657 L C 2.942 179.621 176.870 -0.318 0.000 1.103 657 L CA 2.049 56.812 54.840 -0.129 0.000 0.769 657 L CB -0.680 41.383 42.059 0.005 0.000 0.908 657 L HN 0.327 nan 8.230 nan 0.000 0.438 658 R N 0.615 120.813 120.500 -0.504 0.000 2.127 658 R HA -0.249 4.089 4.340 -0.004 0.000 0.238 658 R C 2.144 177.959 176.300 -0.807 0.000 1.134 658 R CA 1.656 57.182 56.100 -0.956 0.000 0.975 658 R CB -0.028 29.806 30.300 -0.777 0.000 0.865 658 R HN 0.243 nan 8.270 nan 0.000 0.447 659 E N -0.424 119.499 120.200 -0.461 0.000 2.160 659 E HA -0.122 4.226 4.350 -0.004 0.000 0.195 659 E C 1.619 178.073 176.600 -0.243 0.000 0.991 659 E CA 1.675 57.895 56.400 -0.300 0.000 0.810 659 E CB -0.437 29.141 29.700 -0.203 0.000 0.742 659 E HN 0.487 nan 8.360 nan 0.000 0.466 660 G N -1.107 107.550 108.800 -0.238 0.000 2.534 660 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.217 660 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.217 660 G C 1.004 175.912 174.900 0.013 0.000 1.128 660 G CA 1.066 46.116 45.100 -0.082 0.000 0.784 660 G HN 0.526 nan 8.290 nan 0.000 0.542 661 Y N -2.168 118.134 120.300 0.003 0.000 2.476 661 Y HA 0.712 5.259 4.550 -0.004 0.000 0.261 661 Y C 1.121 177.044 175.900 0.038 0.000 1.077 661 Y CA -1.044 57.075 58.100 0.032 0.000 1.240 661 Y CB -0.407 38.097 38.460 0.074 0.000 1.317 661 Y HN 0.155 nan 8.280 nan 0.000 0.540 662 A N 1.587 124.343 122.820 -0.107 0.000 2.425 662 A HA 0.528 4.846 4.320 -0.004 0.000 0.242 662 A C -0.409 177.205 177.584 0.050 0.000 1.077 662 A CA -0.063 51.991 52.037 0.028 0.000 0.781 662 A CB 0.258 19.213 19.000 -0.074 0.000 1.020 662 A HN 0.231 nan 8.150 nan 0.000 0.494 663 V N 3.532 123.502 119.914 0.092 0.000 2.349 663 V HA 0.273 4.390 4.120 -0.004 0.000 0.284 663 V C 0.063 176.238 176.094 0.135 0.000 1.014 663 V CA -0.310 62.045 62.300 0.091 0.000 0.826 663 V CB 0.530 32.406 31.823 0.089 0.000 1.009 663 V HN 1.050 nan 8.190 nan 0.000 0.431 664 Q N 3.422 123.277 119.800 0.092 0.000 2.457 664 Q HA -0.291 4.047 4.340 -0.004 0.000 0.283 664 Q C 1.305 177.302 176.000 -0.005 0.000 1.234 664 Q CA 0.884 56.747 55.803 0.099 0.000 0.877 664 Q CB -1.444 27.412 28.738 0.196 0.000 1.250 664 Q HN 1.594 nan 8.270 nan 0.000 0.481 665 G N -1.027 107.740 108.800 -0.055 0.000 2.205 665 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.261 665 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.261 665 G C 0.099 174.938 174.900 -0.102 0.000 0.980 665 G CA 0.619 45.644 45.100 -0.124 0.000 0.632 665 G HN 0.607 nan 8.290 nan 0.000 0.533 666 H N 0.343 119.465 119.070 0.087 0.000 2.559 666 H HA 0.563 5.117 4.556 -0.004 0.000 0.343 666 H C 0.363 175.574 175.328 -0.195 0.000 1.209 666 H CA -0.332 55.657 56.048 -0.098 0.000 1.287 666 H CB 1.294 30.975 29.762 -0.135 0.000 1.650 666 H HN 0.280 nan 8.280 nan 0.000 0.567 667 E N 2.595 122.485 120.200 -0.518 0.000 2.413 667 E HA 0.082 4.429 4.350 -0.004 0.000 0.263 667 E C -2.328 174.273 176.600 0.001 0.000 1.015 667 E CA -1.407 54.894 56.400 -0.165 0.000 0.916 667 E CB 0.298 29.837 29.700 -0.268 0.000 0.947 667 E HN 0.250 nan 8.360 nan 0.000 0.440 668 P HA 0.058 nan 4.420 nan 0.000 0.275 668 P C -0.799 176.491 177.300 -0.016 0.000 1.228 668 P CA -0.456 62.676 63.100 0.054 0.000 0.786 668 P CB 0.882 32.636 31.700 0.091 0.000 0.927 669 C N 5.234 124.519 119.300 -0.025 0.000 2.344 669 C HA 0.484 4.942 4.460 -0.004 0.000 0.326 669 C C -0.252 174.717 174.990 -0.036 0.000 1.201 669 C CA -0.770 58.223 59.018 -0.043 0.000 1.410 669 C CB -1.047 26.675 27.740 -0.030 0.000 2.070 669 C HN 0.437 nan 8.230 nan 0.000 0.445 670 L N 6.629 127.819 121.223 -0.055 0.000 2.290 670 L HA 0.517 4.855 4.340 -0.004 0.000 0.284 670 L C 0.158 177.031 176.870 0.004 0.000 1.078 670 L CA 0.233 55.055 54.840 -0.030 0.000 0.815 670 L CB 1.162 43.193 42.059 -0.047 0.000 1.162 670 L HN 0.704 nan 8.230 nan 0.000 0.435 671 M N 3.238 122.850 119.600 0.020 0.000 2.386 671 M HA 0.336 4.814 4.480 -0.004 0.000 0.293 671 M C -0.610 175.733 176.300 0.072 0.000 1.120 671 M CA -0.648 54.684 55.300 0.054 0.000 0.909 671 M CB 2.184 34.809 32.600 0.043 0.000 1.661 671 M HN 0.551 nan 8.290 nan 0.000 0.452 672 H N 4.901 123.982 119.070 0.018 0.000 2.790 672 H HA 0.165 4.718 4.556 -0.004 0.000 0.358 672 H C -2.084 173.254 175.328 0.017 0.000 1.103 672 H CA -0.279 55.781 56.048 0.019 0.000 1.426 672 H CB 1.284 31.059 29.762 0.021 0.000 1.424 672 H HN 0.478 nan 8.280 nan 0.000 0.599 673 P HA -0.163 nan 4.420 nan 0.000 0.216 673 P C 0.869 178.229 177.300 0.100 0.000 1.153 673 P CA 1.411 64.466 63.100 -0.075 0.000 0.858 673 P CB 0.355 31.948 31.700 -0.178 0.000 0.789 674 D N -1.014 119.577 120.400 0.318 0.000 2.144 674 D HA -0.125 4.513 4.640 -0.004 0.000 0.200 674 D C 1.570 177.954 176.300 0.141 0.000 0.978 674 D CA 1.019 55.150 54.000 0.217 0.000 0.833 674 D CB -0.721 40.205 40.800 0.210 0.000 0.961 674 D HN 0.179 nan 8.370 nan 0.000 0.470 675 D N 0.211 120.710 120.400 0.166 0.000 2.149 675 D HA -0.022 4.616 4.640 -0.004 0.000 0.201 675 D C 1.985 178.332 176.300 0.077 0.000 0.972 675 D CA 0.877 54.933 54.000 0.094 0.000 0.835 675 D CB -0.043 40.811 40.800 0.089 0.000 0.966 675 D HN 0.121 nan 8.370 nan 0.000 0.476 676 A N 1.259 124.127 122.820 0.080 0.000 1.873 676 A HA 0.011 4.329 4.320 -0.004 0.000 0.215 676 A C 2.336 179.947 177.584 0.046 0.000 1.186 676 A CA 1.922 53.991 52.037 0.053 0.000 0.616 676 A CB -0.652 18.371 19.000 0.039 0.000 0.823 676 A HN 0.212 nan 8.150 nan 0.000 0.442 677 A N 0.020 122.869 122.820 0.048 0.000 1.908 677 A HA 0.118 4.436 4.320 -0.004 0.000 0.218 677 A C 2.454 180.060 177.584 0.037 0.000 1.181 677 A CA 2.110 54.170 52.037 0.038 0.000 0.627 677 A CB -1.010 18.014 19.000 0.039 0.000 0.818 677 A HN 1.127 nan 8.150 nan 0.000 0.445 678 A N -0.692 122.154 122.820 0.042 0.000 2.070 678 A HA -0.115 4.203 4.320 -0.004 0.000 0.220 678 A C 2.115 179.721 177.584 0.036 0.000 1.159 678 A CA 1.506 53.565 52.037 0.036 0.000 0.656 678 A CB -0.315 18.707 19.000 0.037 0.000 0.800 678 A HN 0.552 nan 8.150 nan 0.000 0.453 679 R N -1.795 118.729 120.500 0.040 0.000 2.362 679 R HA 0.272 4.610 4.340 -0.004 0.000 0.227 679 R C 1.004 177.325 176.300 0.036 0.000 0.905 679 R CA 0.468 56.593 56.100 0.041 0.000 1.067 679 R CB 0.227 30.556 30.300 0.049 0.000 1.078 679 R HN 0.585 nan 8.270 nan 0.000 0.516 680 G N 1.905 110.724 108.800 0.031 0.000 2.246 680 G HA2 -0.274 3.684 3.960 -0.004 0.000 0.273 680 G HA3 -0.274 3.684 3.960 -0.004 0.000 0.273 680 G C -0.025 174.890 174.900 0.026 0.000 1.055 680 G CA -0.011 45.104 45.100 0.025 0.000 0.851 680 G HN 0.242 nan 8.290 nan 0.000 0.500 681 I N 0.687 121.275 120.570 0.029 0.000 2.359 681 I HA 0.642 4.809 4.170 -0.004 0.000 0.294 681 I C 0.656 176.787 176.117 0.024 0.000 0.987 681 I CA -0.426 60.892 61.300 0.029 0.000 1.225 681 I CB 1.758 39.778 38.000 0.034 0.000 1.366 681 I HN 0.321 nan 8.210 nan 0.000 0.466 682 A N 4.141 126.974 122.820 0.021 0.000 2.330 682 A HA 0.402 4.720 4.320 -0.004 0.000 0.329 682 A C -0.725 176.869 177.584 0.017 0.000 1.135 682 A CA -0.643 51.404 52.037 0.017 0.000 0.817 682 A CB 0.963 19.973 19.000 0.015 0.000 1.269 682 A HN 0.739 nan 8.150 nan 0.000 0.469 683 D N 0.150 120.557 120.400 0.012 0.000 2.531 683 D HA 0.355 4.993 4.640 -0.004 0.000 0.239 683 D C 1.356 177.666 176.300 0.018 0.000 1.144 683 D CA 2.354 56.361 54.000 0.012 0.000 0.869 683 D CB 0.186 40.989 40.800 0.005 0.000 1.160 683 D HN 1.323 nan 8.370 nan 0.000 0.484 684 G N 3.005 111.819 108.800 0.024 0.000 2.213 684 G HA2 -0.245 3.713 3.960 -0.004 0.000 0.236 684 G HA3 -0.245 3.713 3.960 -0.004 0.000 0.236 684 G C 0.112 175.037 174.900 0.041 0.000 0.991 684 G CA 0.033 45.153 45.100 0.033 0.000 0.629 684 G HN 0.623 nan 8.290 nan 0.000 0.517 685 D N 0.318 120.739 120.400 0.036 0.000 2.382 685 D HA 0.441 5.079 4.640 -0.004 0.000 0.240 685 D C 0.754 177.077 176.300 0.038 0.000 1.146 685 D CA -0.016 54.008 54.000 0.041 0.000 0.897 685 D CB 1.586 42.408 40.800 0.036 0.000 1.197 685 D HN 0.151 nan 8.370 nan 0.000 0.432 686 V N 2.139 122.081 119.914 0.047 0.000 2.498 686 V HA 0.313 4.431 4.120 -0.004 0.000 0.279 686 V C 0.363 176.469 176.094 0.020 0.000 1.048 686 V CA -0.434 61.858 62.300 -0.013 0.000 0.967 686 V CB 1.250 33.068 31.823 -0.008 0.000 0.988 686 V HN 0.372 nan 8.190 nan 0.000 0.473 687 V N 3.074 122.963 119.914 -0.040 0.000 2.914 687 V HA 0.697 4.814 4.120 -0.004 0.000 0.314 687 V C -0.404 175.677 176.094 -0.021 0.000 1.084 687 V CA -1.230 61.083 62.300 0.021 0.000 0.963 687 V CB 1.911 33.746 31.823 0.020 0.000 1.025 687 V HN 0.822 nan 8.190 nan 0.000 0.432 688 R N 2.019 122.559 120.500 0.067 0.000 2.255 688 R HA 0.720 5.058 4.340 -0.004 0.000 0.326 688 R C -1.445 174.929 176.300 0.124 0.000 0.986 688 R CA -0.431 55.699 56.100 0.049 0.000 0.847 688 R CB 1.599 31.966 30.300 0.112 0.000 1.111 688 R HN 0.776 nan 8.270 nan 0.000 0.452 689 V N 5.708 125.660 119.914 0.064 0.000 2.370 689 V HA 0.360 4.478 4.120 -0.004 0.000 0.279 689 V C -0.579 175.551 176.094 0.061 0.000 1.029 689 V CA -0.613 61.710 62.300 0.038 0.000 0.870 689 V CB 0.951 32.758 31.823 -0.028 0.000 0.984 689 V HN 0.984 nan 8.190 nan 0.000 0.451 690 H N 2.677 121.683 119.070 -0.107 0.000 3.016 690 H HA 0.873 5.427 4.556 -0.004 0.000 0.362 690 H C -0.687 174.423 175.328 -0.362 0.000 1.233 690 H CA -0.908 55.048 56.048 -0.153 0.000 1.124 690 H CB 1.862 31.584 29.762 -0.066 0.000 1.850 690 H HN 0.578 nan 8.280 nan 0.000 0.549 691 N N -0.231 118.241 118.700 -0.381 0.000 3.506 691 N HA 0.145 4.883 4.740 -0.004 0.000 0.331 691 N C -0.454 174.935 175.510 -0.201 0.000 1.631 691 N CA -0.665 51.889 53.050 -0.827 0.000 0.786 691 N CB 0.043 37.994 38.487 -0.894 0.000 2.023 691 N HN 0.573 nan 8.380 nan 0.000 0.621 692 D N -0.587 119.802 120.400 -0.018 0.000 2.317 692 D HA 0.047 4.684 4.640 -0.004 0.000 0.211 692 D C 1.084 177.406 176.300 0.037 0.000 0.966 692 D CA 0.724 54.791 54.000 0.111 0.000 0.876 692 D CB 0.220 41.121 40.800 0.169 0.000 0.927 692 D HN 0.433 nan 8.370 nan 0.000 0.519 693 R N -0.139 120.351 120.500 -0.017 0.000 2.189 693 R HA 0.322 4.660 4.340 -0.004 0.000 0.203 693 R C 1.230 177.517 176.300 -0.022 0.000 1.012 693 R CA 0.484 56.569 56.100 -0.024 0.000 1.015 693 R CB 0.790 31.059 30.300 -0.052 0.000 0.938 693 R HN 0.049 nan 8.270 nan 0.000 0.472 694 G N 0.134 108.920 108.800 -0.023 0.000 2.489 694 G HA2 0.295 4.253 3.960 -0.004 0.000 0.305 694 G HA3 0.295 4.253 3.960 -0.004 0.000 0.305 694 G C -1.991 172.923 174.900 0.023 0.000 1.311 694 G CA -0.831 44.271 45.100 0.003 0.000 0.813 694 G HN 0.107 nan 8.290 nan 0.000 0.480 695 Q N -1.076 118.748 119.800 0.041 0.000 2.295 695 Q HA 0.694 5.032 4.340 -0.004 0.000 0.268 695 Q C -0.954 175.068 176.000 0.037 0.000 1.010 695 Q CA -1.015 54.821 55.803 0.054 0.000 0.856 695 Q CB 2.443 31.210 28.738 0.048 0.000 1.349 695 Q HN 1.174 nan 8.270 nan 0.000 0.412 696 I N -1.049 119.530 120.570 0.015 0.000 2.969 696 I HA 0.658 4.826 4.170 -0.004 0.000 0.307 696 I C -1.491 174.576 176.117 -0.083 0.000 1.149 696 I CA -1.646 59.651 61.300 -0.005 0.000 1.008 696 I CB 2.015 40.029 38.000 0.023 0.000 1.232 696 I HN 0.623 nan 8.210 nan 0.000 0.435 697 L N 3.015 124.152 121.223 -0.145 0.000 2.309 697 L HA 0.684 5.022 4.340 -0.004 0.000 0.282 697 L C 0.002 176.718 176.870 -0.258 0.000 1.036 697 L CA -0.349 54.316 54.840 -0.292 0.000 0.806 697 L CB 1.889 43.650 42.059 -0.496 0.000 1.220 697 L HN 0.883 nan 8.230 nan 0.000 0.429 698 T N -1.030 113.368 114.554 -0.260 0.000 2.865 698 T HA 0.716 5.063 4.350 -0.004 0.000 0.294 698 T C -0.280 174.327 174.700 -0.155 0.000 1.119 698 T CA -0.791 61.208 62.100 -0.168 0.000 1.007 698 T CB 1.963 70.775 68.868 -0.092 0.000 1.225 698 T HN 0.635 nan 8.240 nan 0.000 0.515 699 G N 0.230 109.012 108.800 -0.031 0.000 2.416 699 G HA2 0.579 4.537 3.960 -0.004 0.000 0.324 699 G HA3 0.579 4.537 3.960 -0.004 0.000 0.324 699 G C -0.795 174.115 174.900 0.017 0.000 1.194 699 G CA -0.696 44.416 45.100 0.019 0.000 0.922 699 G HN 0.797 nan 8.290 nan 0.000 0.467 700 V N 2.089 122.011 119.914 0.014 0.000 2.607 700 V HA 0.368 4.486 4.120 -0.004 0.000 0.289 700 V C 0.150 176.254 176.094 0.017 0.000 1.053 700 V CA -0.412 61.895 62.300 0.012 0.000 0.996 700 V CB 1.428 33.259 31.823 0.013 0.000 0.995 700 V HN 0.652 nan 8.190 nan 0.000 0.476 701 K N 3.415 123.821 120.400 0.009 0.000 2.450 701 K HA 0.544 4.861 4.320 -0.004 0.000 0.257 701 K C -1.216 175.383 176.600 -0.002 0.000 0.953 701 K CA -0.613 55.678 56.287 0.006 0.000 0.844 701 K CB 2.085 34.588 32.500 0.006 0.000 1.103 701 K HN 0.432 nan 8.250 nan 0.000 0.429 702 V N 3.312 123.223 119.914 -0.006 0.000 2.455 702 V HA 0.277 4.395 4.120 -0.004 0.000 0.273 702 V C -0.136 175.936 176.094 -0.036 0.000 1.045 702 V CA 0.056 62.346 62.300 -0.018 0.000 0.976 702 V CB 0.981 32.792 31.823 -0.019 0.000 0.993 702 V HN 0.847 nan 8.190 nan 0.000 0.475 703 T N 2.167 116.689 114.554 -0.053 0.000 2.942 703 T HA 0.252 4.600 4.350 -0.004 0.000 0.327 703 T C -0.068 174.565 174.700 -0.111 0.000 1.360 703 T CA -0.641 61.421 62.100 -0.063 0.000 1.055 703 T CB 1.714 70.569 68.868 -0.023 0.000 1.261 703 T HN 0.758 nan 8.240 nan 0.000 0.485 704 D N 0.570 120.889 120.400 -0.134 0.000 2.319 704 D HA 0.220 4.858 4.640 -0.004 0.000 0.230 704 D C 1.612 177.941 176.300 0.047 0.000 1.094 704 D CA -0.091 53.827 54.000 -0.137 0.000 0.856 704 D CB -0.221 40.482 40.800 -0.161 0.000 0.915 704 D HN 0.558 nan 8.370 nan 0.000 0.517 705 A N 0.372 123.220 122.820 0.047 0.000 1.969 705 A HA 0.108 4.426 4.320 -0.004 0.000 0.218 705 A C 1.265 178.927 177.584 0.131 0.000 1.169 705 A CA 0.971 53.061 52.037 0.087 0.000 0.635 705 A CB -0.537 18.496 19.000 0.055 0.000 0.810 705 A HN 0.321 nan 8.150 nan 0.000 0.445 706 V N -1.234 118.756 119.914 0.127 0.000 2.539 706 V HA 0.566 4.684 4.120 -0.004 0.000 0.292 706 V C 0.160 176.374 176.094 0.199 0.000 1.045 706 V CA -0.965 61.422 62.300 0.146 0.000 0.945 706 V CB 0.759 32.651 31.823 0.115 0.000 0.993 706 V HN 0.547 nan 8.190 nan 0.000 0.464 707 M N 1.473 121.152 119.600 0.133 0.000 2.226 707 M HA 0.442 4.920 4.480 -0.004 0.000 0.324 707 M C 0.147 176.432 176.300 -0.024 0.000 1.112 707 M CA -0.324 55.013 55.300 0.061 0.000 1.176 707 M CB 0.149 32.746 32.600 -0.005 0.000 1.430 707 M HN 0.730 nan 8.290 nan 0.000 0.462 708 K N 1.173 121.412 120.400 -0.268 0.000 2.489 708 K HA 0.249 4.567 4.320 -0.004 0.000 0.278 708 K C 0.907 177.430 176.600 -0.129 0.000 1.000 708 K CA 1.514 57.577 56.287 -0.373 0.000 1.012 708 K CB 0.007 32.192 32.500 -0.525 0.000 0.903 708 K HN 0.958 nan 8.250 nan 0.000 0.485 709 G N 1.678 110.445 108.800 -0.056 0.000 2.194 709 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.236 709 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.236 709 G C -0.456 174.479 174.900 0.058 0.000 0.987 709 G CA 0.006 45.108 45.100 0.004 0.000 0.635 709 G HN 0.536 nan 8.290 nan 0.000 0.520 710 V N 2.403 122.356 119.914 0.066 0.000 2.604 710 V HA 0.749 4.867 4.120 -0.004 0.000 0.305 710 V C 0.448 176.602 176.094 0.099 0.000 1.043 710 V CA -0.527 61.843 62.300 0.116 0.000 0.888 710 V CB 1.851 33.743 31.823 0.115 0.000 0.995 710 V HN 0.683 nan 8.190 nan 0.000 0.429 711 I N 1.405 122.029 120.570 0.090 0.000 2.693 711 I HA 0.704 4.872 4.170 -0.004 0.000 0.303 711 I C -0.639 175.500 176.117 0.037 0.000 1.025 711 I CA -0.731 60.599 61.300 0.051 0.000 1.086 711 I CB 2.002 40.016 38.000 0.023 0.000 1.268 711 I HN 0.672 nan 8.210 nan 0.000 0.440 712 Q N 5.242 125.035 119.800 -0.011 0.000 2.348 712 Q HA 0.619 4.956 4.340 -0.004 0.000 0.265 712 Q C -1.709 174.205 176.000 -0.143 0.000 0.998 712 Q CA -0.626 55.135 55.803 -0.071 0.000 0.831 712 Q CB 1.744 30.399 28.738 -0.138 0.000 1.251 712 Q HN 0.789 nan 8.270 nan 0.000 0.456 713 I N 4.694 125.210 120.570 -0.090 0.000 2.476 713 I HA 0.238 4.406 4.170 -0.004 0.000 0.281 713 I C -0.977 175.166 176.117 0.042 0.000 1.040 713 I CA -0.839 60.422 61.300 -0.064 0.000 1.094 713 I CB 0.811 38.803 38.000 -0.013 0.000 1.219 713 I HN 0.576 nan 8.210 nan 0.000 0.450 714 Y N 3.829 124.177 120.300 0.080 0.000 2.550 714 Y HA 0.080 4.628 4.550 -0.004 0.000 0.343 714 Y C 1.013 176.973 175.900 0.101 0.000 1.245 714 Y CA -0.724 57.434 58.100 0.097 0.000 1.462 714 Y CB 0.403 38.909 38.460 0.077 0.000 1.340 714 Y HN 0.561 nan 8.280 nan 0.000 0.604 715 E N -0.253 120.115 120.200 0.281 0.000 2.392 715 E HA 0.470 4.818 4.350 -0.004 0.000 0.256 715 E C 0.968 177.684 176.600 0.193 0.000 1.145 715 E CA 0.094 56.604 56.400 0.182 0.000 0.929 715 E CB 0.397 30.161 29.700 0.107 0.000 0.998 715 E HN 0.747 nan 8.360 nan 0.000 0.442 716 G N 0.320 109.250 108.800 0.216 0.000 2.201 716 G HA2 -0.167 3.791 3.960 -0.004 0.000 0.212 716 G HA3 -0.167 3.791 3.960 -0.004 0.000 0.212 716 G C 0.496 175.645 174.900 0.414 0.000 0.994 716 G CA -0.328 44.944 45.100 0.286 0.000 0.644 716 G HN 0.939 nan 8.290 nan 0.000 0.508 717 G N -0.321 108.740 108.800 0.436 0.000 2.398 717 G HA2 0.354 4.312 3.960 -0.004 0.000 0.246 717 G HA3 0.354 4.312 3.960 -0.004 0.000 0.246 717 G C 0.123 175.432 174.900 0.682 0.000 1.289 717 G CA -0.253 45.237 45.100 0.649 0.000 0.869 717 G HN 0.273 nan 8.290 nan 0.000 0.543 718 W N 2.202 123.667 121.300 0.276 0.000 2.585 718 W HA 0.212 4.870 4.660 -0.004 0.000 0.337 718 W C 0.334 176.955 176.519 0.169 0.000 1.226 718 W CA -1.446 55.965 57.345 0.110 0.000 1.463 718 W CB -0.812 28.574 29.460 -0.123 0.000 1.458 718 W HN 0.462 nan 8.180 nan 0.000 0.458 719 Y N 3.891 124.353 120.300 0.270 0.000 2.944 719 Y HA -0.100 4.448 4.550 -0.004 0.000 0.340 719 Y C 0.272 176.249 175.900 0.128 0.000 1.275 719 Y CA 0.839 59.048 58.100 0.183 0.000 1.590 719 Y CB 0.214 38.738 38.460 0.106 0.000 1.218 719 Y HN 0.344 nan 8.280 nan 0.000 0.576 720 D N 9.017 129.299 120.400 -0.196 0.000 2.400 720 D HA 0.288 4.925 4.640 -0.004 0.000 0.272 720 D C -3.022 173.059 176.300 -0.364 0.000 1.220 720 D CA -2.119 51.720 54.000 -0.268 0.000 0.897 720 D CB 0.742 41.490 40.800 -0.087 0.000 1.134 720 D HN 0.256 nan 8.370 nan 0.000 0.507 721 P HA 0.064 nan 4.420 nan 0.000 0.268 721 P C 0.675 177.862 177.300 -0.188 0.000 1.204 721 P CA -0.141 62.707 63.100 -0.419 0.000 0.768 721 P CB 1.569 33.004 31.700 -0.442 0.000 0.842 722 S N 1.072 116.713 115.700 -0.098 0.000 2.356 722 S HA -0.114 4.354 4.470 -0.004 0.000 0.223 722 S C 0.748 175.316 174.600 -0.053 0.000 1.032 722 S CA 1.453 59.619 58.200 -0.057 0.000 1.005 722 S CB -0.336 62.851 63.200 -0.020 0.000 0.867 722 S HN 0.643 nan 8.310 nan 0.000 0.449 723 D N 0.183 120.559 120.400 -0.040 0.000 2.616 723 D HA 0.231 4.869 4.640 -0.004 0.000 0.238 723 D C 0.766 177.058 176.300 -0.013 0.000 1.354 723 D CA -0.379 53.602 54.000 -0.031 0.000 0.970 723 D CB 1.563 42.355 40.800 -0.013 0.000 1.369 723 D HN 0.009 nan 8.370 nan 0.000 0.585 724 V N 2.043 121.940 119.914 -0.028 0.000 2.720 724 V HA -0.118 4.000 4.120 -0.004 0.000 0.256 724 V C 1.735 177.851 176.094 0.037 0.000 1.082 724 V CA 2.274 64.584 62.300 0.016 0.000 1.101 724 V CB -1.427 30.384 31.823 -0.020 0.000 0.693 724 V HN 0.680 nan 8.190 nan 0.000 0.479 725 T N -1.902 112.660 114.554 0.014 0.000 3.129 725 T HA 0.090 4.438 4.350 -0.004 0.000 0.251 725 T C 0.718 175.435 174.700 0.029 0.000 1.117 725 T CA 0.443 62.556 62.100 0.022 0.000 1.034 725 T CB -0.339 68.533 68.868 0.006 0.000 0.968 725 T HN 0.742 nan 8.240 nan 0.000 0.526 726 E N 3.188 123.406 120.200 0.030 0.000 2.089 726 E HA 0.279 4.627 4.350 -0.004 0.000 0.284 726 E C -2.557 174.072 176.600 0.047 0.000 1.023 726 E CA -2.964 53.456 56.400 0.033 0.000 0.819 726 E CB 0.929 30.645 29.700 0.025 0.000 1.076 726 E HN 0.180 nan 8.360 nan 0.000 0.396 727 P HA 0.065 nan 4.420 nan 0.000 0.263 727 P C 0.461 177.791 177.300 0.049 0.000 1.195 727 P CA 0.610 63.739 63.100 0.049 0.000 0.762 727 P CB 0.721 32.445 31.700 0.039 0.000 0.799 728 G N 1.670 110.505 108.800 0.059 0.000 2.160 728 G HA2 -0.261 3.697 3.960 -0.004 0.000 0.251 728 G HA3 -0.261 3.697 3.960 -0.004 0.000 0.251 728 G C 0.480 175.419 174.900 0.066 0.000 1.008 728 G CA 0.304 45.439 45.100 0.058 0.000 0.724 728 G HN 0.790 nan 8.290 nan 0.000 0.514 729 T N -0.168 114.432 114.554 0.076 0.000 2.939 729 T HA 0.271 4.618 4.350 -0.004 0.000 0.319 729 T C 0.845 175.587 174.700 0.070 0.000 1.082 729 T CA 0.218 62.355 62.100 0.063 0.000 1.133 729 T CB 0.243 69.142 68.868 0.052 0.000 1.019 729 T HN 1.012 nan 8.240 nan 0.000 0.548 730 L N 4.571 125.816 121.223 0.038 0.000 2.455 730 L HA 0.274 4.612 4.340 -0.004 0.000 0.272 730 L C 0.112 176.994 176.870 0.020 0.000 1.174 730 L CA -0.047 54.807 54.840 0.023 0.000 0.869 730 L CB 0.551 42.602 42.059 -0.014 0.000 1.130 730 L HN 0.632 nan 8.230 nan 0.000 0.474 731 D N 3.664 124.101 120.400 0.062 0.000 2.317 731 D HA 0.115 4.753 4.640 -0.004 0.000 0.252 731 D C 0.528 176.850 176.300 0.037 0.000 1.174 731 D CA 0.057 54.099 54.000 0.071 0.000 0.866 731 D CB 0.944 41.891 40.800 0.245 0.000 1.127 731 D HN 0.599 nan 8.370 nan 0.000 0.467 732 K N 2.957 123.377 120.400 0.034 0.000 2.366 732 K HA -0.098 4.219 4.320 -0.004 0.000 0.198 732 K C 0.788 177.539 176.600 0.251 0.000 1.044 732 K CA 0.477 56.816 56.287 0.087 0.000 0.973 732 K CB 0.230 32.774 32.500 0.074 0.000 0.767 732 K HN 0.505 nan 8.250 nan 0.000 0.475 733 Y N 0.361 120.749 120.300 0.148 0.000 2.314 733 Y HA 0.196 4.744 4.550 -0.004 0.000 0.294 733 Y C 0.783 176.837 175.900 0.258 0.000 1.139 733 Y CA 1.014 59.254 58.100 0.233 0.000 1.162 733 Y CB 1.104 39.670 38.460 0.176 0.000 1.121 733 Y HN 0.017 nan 8.280 nan 0.000 0.529 734 G N 1.714 110.537 108.800 0.038 0.000 2.511 734 G HA2 -0.078 3.880 3.960 -0.004 0.000 0.230 734 G HA3 -0.078 3.880 3.960 -0.004 0.000 0.230 734 G C -1.657 173.344 174.900 0.168 0.000 1.264 734 G CA -0.257 44.822 45.100 -0.035 0.000 0.866 734 G HN 0.326 nan 8.290 nan 0.000 0.523 735 D N 0.750 121.312 120.400 0.270 0.000 2.339 735 D HA 0.343 4.981 4.640 -0.004 0.000 0.241 735 D C 1.356 177.731 176.300 0.126 0.000 1.183 735 D CA -0.125 54.029 54.000 0.255 0.000 0.859 735 D CB 1.607 42.581 40.800 0.289 0.000 1.067 735 D HN 0.160 nan 8.370 nan 0.000 0.484 736 V N 4.690 124.665 119.914 0.102 0.000 2.867 736 V HA -0.147 3.970 4.120 -0.004 0.000 0.260 736 V C 1.377 177.471 176.094 -0.000 0.000 1.099 736 V CA 1.250 63.577 62.300 0.045 0.000 1.122 736 V CB -0.494 31.366 31.823 0.061 0.000 0.708 736 V HN 0.543 nan 8.190 nan 0.000 0.490 737 N N -0.251 118.440 118.700 -0.016 0.000 2.521 737 N HA -0.007 4.731 4.740 -0.004 0.000 0.188 737 N C 1.407 176.836 175.510 -0.136 0.000 1.146 737 N CA 0.727 53.725 53.050 -0.086 0.000 0.893 737 N CB 0.507 38.926 38.487 -0.114 0.000 0.975 737 N HN 0.410 nan 8.380 nan 0.000 0.451 738 V N 0.443 120.295 119.914 -0.103 0.000 2.809 738 V HA -0.059 4.059 4.120 -0.004 0.000 0.256 738 V C 1.896 177.940 176.094 -0.083 0.000 1.080 738 V CA 1.060 63.297 62.300 -0.105 0.000 1.102 738 V CB -0.114 31.701 31.823 -0.015 0.000 0.705 738 V HN 0.279 nan 8.190 nan 0.000 0.475 739 L N -0.387 120.788 121.223 -0.080 0.000 2.590 739 L HA 0.199 4.537 4.340 -0.004 0.000 0.227 739 L C 1.277 178.084 176.870 -0.104 0.000 1.099 739 L CA 0.054 54.837 54.840 -0.095 0.000 0.872 739 L CB -0.019 41.979 42.059 -0.101 0.000 1.088 739 L HN 0.377 nan 8.230 nan 0.000 0.479 740 S N 0.405 116.045 115.700 -0.100 0.000 2.632 740 S HA 0.655 5.122 4.470 -0.004 0.000 0.267 740 S C 0.067 174.602 174.600 -0.109 0.000 1.276 740 S CA -0.629 57.513 58.200 -0.097 0.000 0.998 740 S CB 1.870 65.018 63.200 -0.086 0.000 0.953 740 S HN 0.109 nan 8.310 nan 0.000 0.547 741 A N 0.380 123.139 122.820 -0.101 0.000 2.303 741 A HA 0.535 4.853 4.320 -0.004 0.000 0.317 741 A C -0.317 177.191 177.584 -0.126 0.000 1.149 741 A CA -0.621 51.352 52.037 -0.106 0.000 0.822 741 A CB 0.463 19.403 19.000 -0.101 0.000 1.131 741 A HN 0.827 nan 8.150 nan 0.000 0.493 742 D N 1.735 122.061 120.400 -0.122 0.000 2.518 742 D HA 0.460 5.098 4.640 -0.004 0.000 0.230 742 D C -0.404 175.847 176.300 -0.082 0.000 1.138 742 D CA -0.019 53.909 54.000 -0.120 0.000 0.964 742 D CB -0.382 40.362 40.800 -0.093 0.000 1.011 742 D HN 0.504 nan 8.370 nan 0.000 0.517 743 I N -1.302 119.210 120.570 -0.097 0.000 2.934 743 I HA 0.805 4.973 4.170 -0.004 0.000 0.306 743 I C 0.404 176.475 176.117 -0.076 0.000 1.110 743 I CA -1.430 59.810 61.300 -0.100 0.000 1.019 743 I CB 2.041 39.930 38.000 -0.185 0.000 1.227 743 I HN 0.127 nan 8.210 nan 0.000 0.434 744 G N 1.111 109.884 108.800 -0.046 0.000 2.476 744 G HA2 0.383 4.341 3.960 -0.004 0.000 0.269 744 G HA3 0.383 4.341 3.960 -0.004 0.000 0.269 744 G C 0.898 175.808 174.900 0.017 0.000 1.195 744 G CA 0.165 45.257 45.100 -0.013 0.000 0.843 744 G HN 0.921 nan 8.290 nan 0.000 0.545 745 T N -1.772 112.803 114.554 0.034 0.000 2.720 745 T HA 0.042 4.390 4.350 -0.004 0.000 0.268 745 T C 1.242 175.988 174.700 0.077 0.000 1.037 745 T CA 1.465 63.607 62.100 0.070 0.000 1.144 745 T CB -0.380 68.518 68.868 0.051 0.000 0.864 745 T HN 1.529 nan 8.240 nan 0.000 0.444 746 S N -0.928 114.796 115.700 0.040 0.000 2.656 746 S HA 0.422 4.890 4.470 -0.004 0.000 0.265 746 S C -0.151 174.392 174.600 -0.094 0.000 1.132 746 S CA -1.031 57.176 58.200 0.012 0.000 0.819 746 S CB 1.299 64.519 63.200 0.034 0.000 1.119 746 S HN 0.091 nan 8.310 nan 0.000 0.476 747 K N -0.214 120.028 120.400 -0.263 0.000 2.365 747 K HA 0.135 4.453 4.320 -0.004 0.000 0.199 747 K C 1.680 177.925 176.600 -0.592 0.000 1.045 747 K CA 0.882 56.844 56.287 -0.543 0.000 0.962 747 K CB -0.408 31.459 32.500 -1.054 0.000 0.759 747 K HN 0.458 nan 8.250 nan 0.000 0.469 748 L N 0.271 121.284 121.223 -0.350 0.000 1.988 748 L HA -0.115 4.223 4.340 -0.004 0.000 0.207 748 L C 1.985 178.703 176.870 -0.253 0.000 1.071 748 L CA 1.883 56.619 54.840 -0.172 0.000 0.744 748 L CB -0.182 41.844 42.059 -0.054 0.000 0.893 748 L HN 0.082 nan 8.230 nan 0.000 0.433 749 A N -3.096 119.656 122.820 -0.114 0.000 2.167 749 A HA 0.121 4.439 4.320 -0.004 0.000 0.208 749 A C 0.752 178.456 177.584 0.201 0.000 1.198 749 A CA 0.138 52.172 52.037 -0.005 0.000 0.863 749 A CB 0.197 19.198 19.000 0.003 0.000 0.904 749 A HN 0.491 nan 8.150 nan 0.000 0.484 750 Q N -0.686 119.180 119.800 0.111 0.000 2.475 750 Q HA -0.176 4.162 4.340 -0.004 0.000 0.280 750 Q C 0.533 176.552 176.000 0.031 0.000 1.234 750 Q CA 0.877 56.737 55.803 0.095 0.000 0.873 750 Q CB -2.494 26.345 28.738 0.168 0.000 1.256 750 Q HN 0.780 nan 8.270 nan 0.000 0.475 751 G N 0.997 109.804 108.800 0.012 0.000 2.599 751 G HA2 0.352 4.310 3.960 -0.004 0.000 0.264 751 G HA3 0.352 4.310 3.960 -0.004 0.000 0.264 751 G C 0.325 175.186 174.900 -0.065 0.000 1.200 751 G CA -0.007 45.067 45.100 -0.044 0.000 0.896 751 G HN 0.473 nan 8.290 nan 0.000 0.536 752 N N -2.467 116.166 118.700 -0.111 0.000 2.483 752 N HA 0.285 5.022 4.740 -0.004 0.000 0.269 752 N C -0.310 175.208 175.510 0.013 0.000 1.209 752 N CA -0.577 52.436 53.050 -0.062 0.000 0.969 752 N CB 1.456 39.910 38.487 -0.055 0.000 1.173 752 N HN 0.214 nan 8.380 nan 0.000 0.475 753 C N 1.681 120.987 119.300 0.011 0.000 2.534 753 C HA 0.459 4.917 4.460 -0.004 0.000 0.285 753 C C 1.809 176.827 174.990 0.046 0.000 1.505 753 C CA -0.725 58.315 59.018 0.036 0.000 1.715 753 C CB -0.962 26.774 27.740 -0.006 0.000 2.935 753 C HN 1.002 nan 8.230 nan 0.000 0.540 754 G N 0.443 109.292 108.800 0.082 0.000 2.501 754 G HA2 -0.181 3.777 3.960 -0.004 0.000 0.220 754 G HA3 -0.181 3.777 3.960 -0.004 0.000 0.220 754 G C 1.290 176.251 174.900 0.103 0.000 1.114 754 G CA 0.745 45.898 45.100 0.088 0.000 0.757 754 G HN 0.709 nan 8.290 nan 0.000 0.559 755 Q N -0.358 119.525 119.800 0.138 0.000 2.155 755 Q HA 0.103 4.441 4.340 -0.004 0.000 0.220 755 Q C -0.149 175.960 176.000 0.181 0.000 0.819 755 Q CA -0.068 55.837 55.803 0.171 0.000 1.032 755 Q CB 0.903 29.792 28.738 0.252 0.000 1.151 755 Q HN 0.158 nan 8.270 nan 0.000 0.487 756 T N 1.421 116.043 114.554 0.113 0.000 3.477 756 T HA 0.328 4.676 4.350 -0.004 0.000 0.347 756 T C -0.644 174.057 174.700 0.002 0.000 1.567 756 T CA 0.003 62.173 62.100 0.117 0.000 1.169 756 T CB 0.199 69.121 68.868 0.089 0.000 1.196 756 T HN -0.125 nan 8.240 nan 0.000 0.768 757 V N 4.535 124.371 119.914 -0.130 0.000 2.612 757 V HA 0.513 4.631 4.120 -0.004 0.000 0.301 757 V C -0.488 175.453 176.094 -0.254 0.000 1.059 757 V CA -0.937 61.251 62.300 -0.186 0.000 0.886 757 V CB 2.007 33.712 31.823 -0.197 0.000 1.007 757 V HN 0.597 nan 8.190 nan 0.000 0.426 758 L N 3.691 124.846 121.223 -0.113 0.000 2.342 758 L HA 1.042 5.380 4.340 -0.004 0.000 0.271 758 L C 0.133 176.924 176.870 -0.132 0.000 1.008 758 L CA -0.517 54.291 54.840 -0.053 0.000 0.818 758 L CB 2.073 44.187 42.059 0.093 0.000 1.296 758 L HN 0.836 nan 8.230 nan 0.000 0.427 759 A N 1.573 124.314 122.820 -0.132 0.000 2.557 759 A HA 0.732 5.049 4.320 -0.004 0.000 0.292 759 A C -1.728 175.742 177.584 -0.189 0.000 1.139 759 A CA -0.448 51.384 52.037 -0.342 0.000 0.665 759 A CB 2.046 20.861 19.000 -0.309 0.000 1.285 759 A HN 0.601 nan 8.150 nan 0.000 0.433 760 E N -0.604 119.384 120.200 -0.355 0.000 2.244 760 E HA 0.700 5.048 4.350 -0.004 0.000 0.266 760 E C -1.585 174.898 176.600 -0.194 0.000 0.914 760 E CA -0.446 55.840 56.400 -0.190 0.000 0.794 760 E CB 1.957 31.573 29.700 -0.139 0.000 1.210 760 E HN 0.671 nan 8.360 nan 0.000 0.414 761 V N 3.284 123.188 119.914 -0.016 0.000 2.656 761 V HA 0.522 4.640 4.120 -0.004 0.000 0.307 761 V C -0.761 175.401 176.094 0.114 0.000 1.051 761 V CA -0.713 61.619 62.300 0.054 0.000 0.893 761 V CB 1.573 33.416 31.823 0.033 0.000 0.999 761 V HN 0.806 nan 8.190 nan 0.000 0.426 762 E N 2.800 123.089 120.200 0.148 0.000 2.383 762 E HA 0.498 4.846 4.350 -0.004 0.000 0.275 762 E C -1.057 175.606 176.600 0.105 0.000 0.918 762 E CA -1.117 55.359 56.400 0.127 0.000 0.764 762 E CB 2.551 32.340 29.700 0.148 0.000 1.252 762 E HN 0.507 nan 8.360 nan 0.000 0.449 763 K N 2.106 122.553 120.400 0.077 0.000 2.451 763 K HA -0.021 4.297 4.320 -0.004 0.000 0.280 763 K C -1.140 175.517 176.600 0.095 0.000 1.020 763 K CA -0.295 56.036 56.287 0.073 0.000 1.008 763 K CB 0.338 32.863 32.500 0.041 0.000 0.917 763 K HN 0.553 nan 8.250 nan 0.000 0.478 764 Y N 3.962 124.252 120.300 -0.017 0.000 2.393 764 Y HA 0.063 4.610 4.550 -0.004 0.000 0.338 764 Y C 0.627 176.518 175.900 -0.015 0.000 1.029 764 Y CA 0.314 58.398 58.100 -0.026 0.000 1.239 764 Y CB 0.877 39.305 38.460 -0.052 0.000 1.170 764 Y HN 0.745 nan 8.280 nan 0.000 0.515 765 T N 1.291 115.489 114.554 -0.593 0.000 3.043 765 T HA 0.363 4.710 4.350 -0.004 0.000 0.272 765 T C 0.903 175.232 174.700 -0.619 0.000 0.990 765 T CA 0.105 61.928 62.100 -0.461 0.000 0.897 765 T CB -0.264 68.471 68.868 -0.222 0.000 1.111 765 T HN 0.731 nan 8.240 nan 0.000 0.529 766 G N 2.777 110.866 108.800 -1.185 0.000 2.583 766 G HA2 0.499 4.456 3.960 -0.004 0.000 0.275 766 G HA3 0.499 4.456 3.960 -0.004 0.000 0.275 766 G C -2.290 172.407 174.900 -0.338 0.000 1.342 766 G CA -1.122 43.578 45.100 -0.665 0.000 1.030 766 G HN 0.268 nan 8.290 nan 0.000 0.520 767 P HA 0.326 nan 4.420 nan 0.000 0.267 767 P C 0.101 177.491 177.300 0.149 0.000 1.200 767 P CA -0.128 62.998 63.100 0.042 0.000 0.772 767 P CB 0.445 32.181 31.700 0.059 0.000 0.855 768 A N 2.476 125.363 122.820 0.112 0.000 2.520 768 A HA 0.279 4.597 4.320 -0.004 0.000 0.235 768 A C 0.037 177.711 177.584 0.149 0.000 1.065 768 A CA 0.065 52.192 52.037 0.150 0.000 0.764 768 A CB -0.037 19.020 19.000 0.095 0.000 1.002 768 A HN 0.421 nan 8.150 nan 0.000 0.502 769 V N 1.401 121.411 119.914 0.159 0.000 2.769 769 V HA 0.547 4.665 4.120 -0.004 0.000 0.312 769 V C 0.094 176.241 176.094 0.088 0.000 1.061 769 V CA -0.359 62.009 62.300 0.114 0.000 0.931 769 V CB 2.529 34.417 31.823 0.109 0.000 1.010 769 V HN 1.000 nan 8.190 nan 0.000 0.433 770 T N 6.129 120.715 114.554 0.053 0.000 2.771 770 T HA 0.556 4.904 4.350 -0.004 0.000 0.281 770 T C -0.322 174.393 174.700 0.024 0.000 0.982 770 T CA -0.246 61.875 62.100 0.034 0.000 0.978 770 T CB 0.801 69.679 68.868 0.016 0.000 0.930 770 T HN 0.373 nan 8.240 nan 0.000 0.447 771 L N 3.467 124.706 121.223 0.026 0.000 2.331 771 L HA 0.335 4.673 4.340 -0.004 0.000 0.278 771 L C 1.454 178.319 176.870 -0.009 0.000 1.106 771 L CA -0.286 54.568 54.840 0.024 0.000 0.824 771 L CB 0.705 42.808 42.059 0.073 0.000 1.142 771 L HN 0.846 nan 8.230 nan 0.000 0.443 772 T N -2.989 111.527 114.554 -0.064 0.000 3.043 772 T HA 0.099 4.447 4.350 -0.004 0.000 0.272 772 T C 1.374 175.985 174.700 -0.149 0.000 0.990 772 T CA 0.265 62.312 62.100 -0.087 0.000 0.897 772 T CB 0.604 69.416 68.868 -0.094 0.000 1.111 772 T HN 0.660 nan 8.240 nan 0.000 0.529 773 G N 0.678 109.311 108.800 -0.280 0.000 2.712 773 G HA2 0.170 4.128 3.960 -0.004 0.000 0.212 773 G HA3 0.170 4.128 3.960 -0.004 0.000 0.212 773 G C 0.454 175.104 174.900 -0.415 0.000 1.142 773 G CA 0.014 44.871 45.100 -0.405 0.000 0.789 773 G HN 0.516 nan 8.290 nan 0.000 0.535 774 F N 0.509 120.489 119.950 0.050 0.000 2.647 774 F HA 0.352 4.877 4.527 -0.004 0.000 0.300 774 F C 0.428 176.250 175.800 0.037 0.000 1.106 774 F CA -1.203 56.816 58.000 0.030 0.000 1.313 774 F CB 0.521 39.459 39.000 -0.104 0.000 1.007 774 F HN 0.001 nan 8.300 nan 0.000 0.536 775 V N -2.085 117.899 119.914 0.116 0.000 2.876 775 V HA 0.926 5.044 4.120 -0.004 0.000 0.312 775 V C 0.114 176.183 176.094 -0.041 0.000 1.085 775 V CA -1.740 60.591 62.300 0.053 0.000 0.945 775 V CB 0.984 32.814 31.823 0.012 0.000 1.017 775 V HN 0.035 nan 8.190 nan 0.000 0.428 776 A N 4.090 126.863 122.820 -0.079 0.000 2.406 776 A HA 0.675 4.993 4.320 -0.004 0.000 0.243 776 A C -2.179 175.155 177.584 -0.416 0.000 1.082 776 A CA -1.009 50.817 52.037 -0.350 0.000 0.786 776 A CB -0.792 18.064 19.000 -0.240 0.000 1.029 776 A HN 0.871 nan 8.150 nan 0.000 0.495 777 P HA 0.054 nan 4.420 nan 0.000 0.265 777 P C 0.379 177.517 177.300 -0.271 0.000 1.187 777 P CA 0.083 62.912 63.100 -0.452 0.000 0.766 777 P CB 0.419 31.781 31.700 -0.563 0.000 0.820 778 K N 2.648 122.952 120.400 -0.160 0.000 2.059 778 K HA -0.243 4.074 4.320 -0.004 0.000 0.212 778 K C 1.891 178.454 176.600 -0.062 0.000 1.050 778 K CA 2.206 58.437 56.287 -0.093 0.000 0.927 778 K CB -0.597 31.862 32.500 -0.069 0.000 0.714 778 K HN 0.506 nan 8.250 nan 0.000 0.447 779 A N 0.529 123.320 122.820 -0.047 0.000 2.172 779 A HA 0.005 4.323 4.320 -0.004 0.000 0.216 779 A C 1.954 179.554 177.584 0.027 0.000 1.154 779 A CA 1.502 53.539 52.037 -0.000 0.000 0.701 779 A CB -0.309 18.713 19.000 0.036 0.000 0.789 779 A HN 0.341 nan 8.150 nan 0.000 0.465 780 A N -0.732 122.077 122.820 -0.017 0.000 2.308 780 A HA 0.269 4.587 4.320 -0.004 0.000 0.217 780 A C 0.772 178.410 177.584 0.091 0.000 1.216 780 A CA -0.204 51.873 52.037 0.068 0.000 0.864 780 A CB -0.006 18.977 19.000 -0.027 0.000 0.902 780 A HN 0.404 nan 8.150 nan 0.000 0.499 781 E N 0.000 120.227 120.200 0.045 0.000 2.725 781 E HA 0.000 4.348 4.350 -0.004 0.000 0.291 781 E CA 0.000 56.425 56.400 0.042 0.000 0.976 781 E CB 0.000 29.708 29.700 0.013 0.000 0.812 781 E HN 0.000 nan 8.360 nan 0.000 0.440