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 2vgk_1_D DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPEG 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 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.426 176.300 0.211 0.000 0.893 1 R CA 0.000 56.195 56.100 0.158 0.000 0.921 1 R CB 0.000 30.401 30.300 0.168 0.000 0.687 2 L N 1.120 122.458 121.223 0.193 0.000 2.056 2 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 2 L C 1.490 178.384 176.870 0.040 0.000 1.078 2 L CA 2.039 56.936 54.840 0.095 0.000 0.749 2 L CB -0.081 42.033 42.059 0.092 0.000 0.901 2 L HN 0.235 nan 8.230 nan 0.000 0.433 3 T N -1.015 113.570 114.554 0.052 0.000 2.746 3 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 3 T C 1.656 176.376 174.700 0.034 0.000 1.039 3 T CA 1.326 63.450 62.100 0.039 0.000 1.142 3 T CB -0.170 68.719 68.868 0.036 0.000 0.866 3 T HN 0.396 nan 8.240 nan 0.000 0.444 4 E N 0.478 120.702 120.200 0.039 0.000 2.077 4 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 4 E C 2.194 178.801 176.600 0.011 0.000 0.989 4 E CA 0.824 57.242 56.400 0.031 0.000 0.800 4 E CB -0.264 29.462 29.700 0.043 0.000 0.746 4 E HN 0.257 nan 8.360 nan 0.000 0.452 5 L N 1.501 122.725 121.223 0.001 0.000 2.012 5 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 5 L C 2.228 179.042 176.870 -0.093 0.000 1.073 5 L CA 1.809 56.601 54.840 -0.080 0.000 0.748 5 L CB -0.234 41.687 42.059 -0.230 0.000 0.891 5 L HN -0.063 nan 8.230 nan 0.000 0.431 6 R N -0.462 120.029 120.500 -0.016 0.000 2.073 6 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 6 R C 2.210 178.553 176.300 0.072 0.000 1.134 6 R CA 1.776 57.934 56.100 0.098 0.000 0.952 6 R CB -0.458 29.941 30.300 0.164 0.000 0.850 6 R HN 0.540 nan 8.270 nan 0.000 0.433 7 E N 0.417 120.640 120.200 0.039 0.000 2.097 7 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 7 E C 1.556 178.153 176.600 -0.005 0.000 1.000 7 E CA 1.358 57.773 56.400 0.025 0.000 0.804 7 E CB -0.042 29.669 29.700 0.018 0.000 0.740 7 E HN 0.301 nan 8.360 nan 0.000 0.454 8 D N 0.349 120.729 120.400 -0.034 0.000 2.117 8 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 8 D C 1.982 178.218 176.300 -0.107 0.000 0.982 8 D CA 0.831 54.795 54.000 -0.061 0.000 0.828 8 D CB -0.081 40.681 40.800 -0.062 0.000 0.967 8 D HN 0.208 nan 8.370 nan 0.000 0.464 9 I N 0.918 121.377 120.570 -0.184 0.000 2.353 9 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 9 I C 1.792 177.806 176.117 -0.171 0.000 1.119 9 I CA 0.763 61.881 61.300 -0.304 0.000 1.417 9 I CB -0.136 37.427 38.000 -0.729 0.000 1.078 9 I HN -0.161 nan 8.210 nan 0.000 0.421 10 D N 1.543 121.921 120.400 -0.036 0.000 2.106 10 D HA -0.208 4.432 4.640 -0.000 0.000 0.191 10 D C 2.278 178.586 176.300 0.013 0.000 0.997 10 D CA 1.806 55.843 54.000 0.062 0.000 0.834 10 D CB -0.272 40.583 40.800 0.092 0.000 0.956 10 D HN 0.333 nan 8.370 nan 0.000 0.448 11 A N 0.362 123.176 122.820 -0.009 0.000 1.940 11 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 11 A C 2.370 179.937 177.584 -0.027 0.000 1.176 11 A CA 1.039 53.067 52.037 -0.015 0.000 0.631 11 A CB -0.711 18.278 19.000 -0.019 0.000 0.814 11 A HN 0.252 nan 8.150 nan 0.000 0.446 12 I N -0.503 120.037 120.570 -0.050 0.000 2.252 12 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 12 I C 1.610 177.701 176.117 -0.043 0.000 1.102 12 I CA 0.950 62.215 61.300 -0.058 0.000 1.385 12 I CB -0.276 37.668 38.000 -0.093 0.000 1.064 12 I HN 0.225 nan 8.210 nan 0.000 0.414 13 L N 0.870 122.074 121.223 -0.032 0.000 2.711 13 L HA -0.040 4.300 4.340 -0.000 0.000 0.242 13 L C 1.528 178.400 176.870 0.003 0.000 1.153 13 L CA 0.396 55.232 54.840 -0.008 0.000 0.898 13 L CB -0.406 41.666 42.059 0.022 0.000 1.044 13 L HN 0.275 nan 8.230 nan 0.000 0.437 14 E N -0.904 119.294 120.200 -0.003 0.000 2.498 14 E HA 0.019 4.369 4.350 -0.000 0.000 0.203 14 E C 0.256 176.854 176.600 -0.003 0.000 1.013 14 E CA -0.090 56.311 56.400 0.002 0.000 0.927 14 E CB 0.340 30.042 29.700 0.003 0.000 1.012 14 E HN 0.338 nan 8.360 nan 0.000 0.482 15 D N 2.966 123.359 120.400 -0.011 0.000 2.533 15 D HA -0.055 4.585 4.640 -0.000 0.000 0.236 15 D C -1.285 175.011 176.300 -0.008 0.000 1.137 15 D CA -1.062 52.929 54.000 -0.014 0.000 0.867 15 D CB 1.402 42.187 40.800 -0.025 0.000 1.170 15 D HN -0.079 nan 8.370 nan 0.000 0.474 16 P HA -0.140 nan 4.420 nan 0.000 0.223 16 P C 0.917 178.221 177.300 0.006 0.000 1.144 16 P CA 0.785 63.886 63.100 0.002 0.000 0.783 16 P CB 0.068 31.770 31.700 0.002 0.000 0.771 17 A N -0.010 122.808 122.820 -0.004 0.000 2.067 17 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 17 A C 2.008 179.597 177.584 0.008 0.000 1.158 17 A CA 0.876 52.910 52.037 -0.004 0.000 0.661 17 A CB -1.245 17.736 19.000 -0.031 0.000 0.801 17 A HN 0.206 nan 8.150 nan 0.000 0.452 18 L N 0.459 121.685 121.223 0.004 0.000 2.688 18 L HA 0.098 4.438 4.340 -0.000 0.000 0.234 18 L C 0.136 177.031 176.870 0.042 0.000 1.192 18 L CA -0.378 54.476 54.840 0.023 0.000 0.984 18 L CB -0.170 41.892 42.059 0.005 0.000 1.232 18 L HN 0.242 nan 8.230 nan 0.000 0.465 19 E N 1.538 121.763 120.200 0.041 0.000 2.463 19 E HA 0.003 4.353 4.350 -0.000 0.000 0.248 19 E C 1.172 177.799 176.600 0.045 0.000 1.106 19 E CA 0.922 57.344 56.400 0.037 0.000 0.946 19 E CB 0.550 30.269 29.700 0.031 0.000 0.971 19 E HN 0.505 nan 8.360 nan 0.000 0.478 20 G N 2.880 111.702 108.800 0.037 0.000 2.179 20 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.260 20 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.260 20 G C 0.426 175.351 174.900 0.043 0.000 0.977 20 G CA 0.228 45.348 45.100 0.033 0.000 0.641 20 G HN 0.758 nan 8.290 nan 0.000 0.533 21 A N -0.517 122.341 122.820 0.063 0.000 2.302 21 A HA 0.772 5.092 4.320 -0.000 0.000 0.285 21 A C 0.305 177.926 177.584 0.061 0.000 1.105 21 A CA 0.097 52.185 52.037 0.084 0.000 0.816 21 A CB 1.381 20.463 19.000 0.136 0.000 1.067 21 A HN 1.113 nan 8.150 nan 0.000 0.489 22 V N 1.614 121.565 119.914 0.061 0.000 2.398 22 V HA 0.498 4.618 4.120 -0.000 0.000 0.286 22 V C 0.109 176.237 176.094 0.056 0.000 1.026 22 V CA -0.194 62.135 62.300 0.048 0.000 0.868 22 V CB 1.445 33.290 31.823 0.036 0.000 0.982 22 V HN 0.814 nan 8.190 nan 0.000 0.443 23 S N 3.105 118.836 115.700 0.051 0.000 2.707 23 S HA 0.553 5.023 4.470 -0.000 0.000 0.312 23 S C 0.305 174.942 174.600 0.061 0.000 1.116 23 S CA -0.537 57.695 58.200 0.055 0.000 1.078 23 S CB 1.506 64.735 63.200 0.049 0.000 0.997 23 S HN 1.028 nan 8.310 nan 0.000 0.477 24 G N 1.973 110.810 108.800 0.061 0.000 2.338 24 G HA2 0.528 4.488 3.960 -0.000 0.000 0.295 24 G HA3 0.528 4.488 3.960 -0.000 0.000 0.295 24 G C -0.764 174.191 174.900 0.091 0.000 1.132 24 G CA -0.253 44.888 45.100 0.067 0.000 0.922 24 G HN 0.571 nan 8.290 nan 0.000 0.427 25 V N 3.268 123.256 119.914 0.124 0.000 2.525 25 V HA 0.502 4.622 4.120 -0.000 0.000 0.299 25 V C -0.553 175.675 176.094 0.223 0.000 1.034 25 V CA -0.579 61.828 62.300 0.177 0.000 0.863 25 V CB 1.938 33.884 31.823 0.205 0.000 0.999 25 V HN 0.560 nan 8.190 nan 0.000 0.423 26 V N 5.431 125.462 119.914 0.196 0.000 2.686 26 V HA 0.605 4.725 4.120 -0.000 0.000 0.306 26 V C -0.771 175.432 176.094 0.181 0.000 1.065 26 V CA -0.594 61.806 62.300 0.166 0.000 0.894 26 V CB 2.367 34.246 31.823 0.094 0.000 1.004 26 V HN 0.561 nan 8.190 nan 0.000 0.424 27 V N 5.220 125.240 119.914 0.178 0.000 2.531 27 V HA 0.650 4.770 4.120 -0.000 0.000 0.301 27 V C -0.546 175.612 176.094 0.106 0.000 1.034 27 V CA -0.529 61.861 62.300 0.149 0.000 0.865 27 V CB 2.084 33.973 31.823 0.110 0.000 0.995 27 V HN 0.607 nan 8.190 nan 0.000 0.424 28 V N 2.785 122.758 119.914 0.099 0.000 2.823 28 V HA 0.483 4.603 4.120 -0.000 0.000 0.312 28 V C -0.684 175.469 176.094 0.098 0.000 1.072 28 V CA -0.694 61.654 62.300 0.081 0.000 0.937 28 V CB 2.392 34.253 31.823 0.063 0.000 1.013 28 V HN 0.877 nan 8.190 nan 0.000 0.430 29 D N 2.118 122.574 120.400 0.092 0.000 2.316 29 D HA 0.188 4.828 4.640 -0.000 0.000 0.245 29 D C 1.141 177.496 176.300 0.092 0.000 1.171 29 D CA 0.163 54.227 54.000 0.106 0.000 0.856 29 D CB 1.922 42.785 40.800 0.105 0.000 1.090 29 D HN 0.592 nan 8.370 nan 0.000 0.476 30 T N 2.727 117.347 114.554 0.110 0.000 2.759 30 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 30 T C 1.708 176.448 174.700 0.067 0.000 1.042 30 T CA 1.648 63.807 62.100 0.099 0.000 1.140 30 T CB 0.060 69.011 68.868 0.138 0.000 0.864 30 T HN 0.578 nan 8.240 nan 0.000 0.455 31 A N 1.317 124.176 122.820 0.065 0.000 1.873 31 A HA -0.097 4.222 4.320 -0.000 0.000 0.215 31 A C 2.583 180.190 177.584 0.038 0.000 1.186 31 A CA 2.213 54.277 52.037 0.046 0.000 0.616 31 A CB -0.894 18.134 19.000 0.047 0.000 0.823 31 A HN 0.628 nan 8.150 nan 0.000 0.442 32 T N -5.497 109.084 114.554 0.045 0.000 3.039 32 T HA 0.414 4.764 4.350 -0.000 0.000 0.250 32 T C 1.554 176.274 174.700 0.034 0.000 1.052 32 T CA 1.189 63.312 62.100 0.037 0.000 1.125 32 T CB 0.171 69.064 68.868 0.042 0.000 0.908 32 T HN 1.720 nan 8.240 nan 0.000 0.473 33 G N 1.333 110.157 108.800 0.041 0.000 2.175 33 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 33 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 33 G C -0.139 174.783 174.900 0.037 0.000 0.982 33 G CA 0.210 45.331 45.100 0.036 0.000 0.641 33 G HN 0.838 nan 8.290 nan 0.000 0.527 34 E N 0.797 121.022 120.200 0.042 0.000 2.414 34 E HA 0.296 4.646 4.350 -0.000 0.000 0.263 34 E C 0.146 176.772 176.600 0.044 0.000 1.000 34 E CA -0.101 56.323 56.400 0.041 0.000 0.914 34 E CB 0.255 29.984 29.700 0.049 0.000 0.948 34 E HN 0.414 nan 8.360 nan 0.000 0.444 35 E N 4.398 124.617 120.200 0.032 0.000 2.044 35 E HA 0.080 4.430 4.350 -0.000 0.000 0.282 35 E C 0.497 177.114 176.600 0.029 0.000 1.031 35 E CA -0.174 56.243 56.400 0.029 0.000 0.824 35 E CB 0.540 30.247 29.700 0.011 0.000 1.076 35 E HN 0.601 nan 8.360 nan 0.000 0.395 36 L N 4.273 125.523 121.223 0.045 0.000 2.249 36 L HA 0.133 4.473 4.340 -0.000 0.000 0.207 36 L C 0.224 177.148 176.870 0.090 0.000 1.090 36 L CA 0.353 55.216 54.840 0.037 0.000 0.802 36 L CB 0.186 42.241 42.059 -0.006 0.000 0.947 36 L HN 0.542 nan 8.230 nan 0.000 0.453 37 Y N -0.993 119.281 120.300 -0.043 0.000 2.513 37 Y HA 0.506 5.055 4.550 -0.000 0.000 0.340 37 Y C -0.903 174.989 175.900 -0.013 0.000 1.055 37 Y CA -0.782 57.295 58.100 -0.038 0.000 1.020 37 Y CB 2.142 40.567 38.460 -0.058 0.000 1.301 37 Y HN -0.275 nan 8.280 nan 0.000 0.453 38 S N 5.355 120.733 115.700 -0.538 0.000 2.626 38 S HA 0.562 5.032 4.470 -0.000 0.000 0.275 38 S C -1.944 172.435 174.600 -0.368 0.000 1.175 38 S CA -0.689 57.343 58.200 -0.281 0.000 0.982 38 S CB 0.735 63.846 63.200 -0.148 0.000 1.093 38 S HN 0.798 nan 8.310 nan 0.000 0.472 39 R N 3.473 123.878 120.500 -0.158 0.000 2.510 39 R HA 0.348 4.688 4.340 -0.000 0.000 0.287 39 R C -1.221 175.078 176.300 -0.003 0.000 1.084 39 R CA -0.289 55.760 56.100 -0.085 0.000 0.934 39 R CB 0.687 30.973 30.300 -0.024 0.000 1.201 39 R HN 0.659 nan 8.270 nan 0.000 0.431 40 D N 3.205 123.598 120.400 -0.011 0.000 2.686 40 D HA -0.156 4.484 4.640 -0.000 0.000 0.235 40 D C 0.723 177.033 176.300 0.018 0.000 1.160 40 D CA 1.469 55.473 54.000 0.007 0.000 0.645 40 D CB -0.687 40.124 40.800 0.020 0.000 1.039 40 D HN 0.906 nan 8.370 nan 0.000 0.423 41 G N -0.235 108.571 108.800 0.011 0.000 2.650 41 G HA2 0.147 4.107 3.960 -0.000 0.000 0.214 41 G HA3 0.147 4.107 3.960 -0.000 0.000 0.214 41 G C 1.375 176.290 174.900 0.025 0.000 1.136 41 G CA 0.613 45.727 45.100 0.023 0.000 0.789 41 G HN 0.444 nan 8.290 nan 0.000 0.536 42 G N -0.352 108.458 108.800 0.017 0.000 3.393 42 G HA2 0.303 4.263 3.960 -0.000 0.000 0.255 42 G HA3 0.303 4.263 3.960 -0.000 0.000 0.255 42 G C 0.065 174.974 174.900 0.015 0.000 1.097 42 G CA -0.281 44.829 45.100 0.016 0.000 0.780 42 G HN 0.340 nan 8.290 nan 0.000 0.540 43 E N 1.179 121.389 120.200 0.017 0.000 2.223 43 E HA 0.225 4.575 4.350 -0.000 0.000 0.282 43 E C 0.296 176.905 176.600 0.016 0.000 1.046 43 E CA -0.217 56.192 56.400 0.016 0.000 0.857 43 E CB 0.344 30.055 29.700 0.019 0.000 1.055 43 E HN 0.221 nan 8.360 nan 0.000 0.409 44 Q N 3.989 123.795 119.800 0.009 0.000 2.286 44 Q HA 0.233 4.573 4.340 -0.000 0.000 0.265 44 Q C -0.592 175.410 176.000 0.005 0.000 1.080 44 Q CA 0.245 56.049 55.803 0.003 0.000 0.906 44 Q CB 0.464 29.200 28.738 -0.004 0.000 1.227 44 Q HN 0.494 nan 8.270 nan 0.000 0.409 45 L N 1.728 122.955 121.223 0.006 0.000 2.350 45 L HA 0.470 4.810 4.340 -0.000 0.000 0.260 45 L C -0.500 176.371 176.870 0.003 0.000 1.015 45 L CA -1.075 53.772 54.840 0.011 0.000 0.821 45 L CB 1.546 43.620 42.059 0.025 0.000 1.370 45 L HN 0.379 nan 8.230 nan 0.000 0.416 46 L N 3.127 124.352 121.223 0.003 0.000 2.410 46 L HA 0.144 4.484 4.340 -0.000 0.000 0.273 46 L C -1.415 175.456 176.870 0.001 0.000 1.152 46 L CA -0.873 53.963 54.840 -0.006 0.000 0.855 46 L CB 0.975 43.026 42.059 -0.013 0.000 1.129 46 L HN 0.434 nan 8.230 nan 0.000 0.463 47 P HA 0.013 nan 4.420 nan 0.000 0.234 47 P C 0.774 178.078 177.300 0.006 0.000 1.175 47 P CA 0.919 64.029 63.100 0.016 0.000 0.801 47 P CB 0.603 32.316 31.700 0.023 0.000 0.891 48 A N 0.559 123.368 122.820 -0.018 0.000 5.578 48 A HA -0.293 4.027 4.320 -0.000 0.000 0.312 48 A C 1.881 179.453 177.584 -0.020 0.000 1.861 48 A CA 2.049 54.060 52.037 -0.043 0.000 0.719 48 A CB -2.384 16.581 19.000 -0.059 0.000 1.323 48 A HN 0.202 nan 8.150 nan 0.000 0.387 49 S N 0.673 116.351 115.700 -0.036 0.000 2.555 49 S HA -0.066 4.404 4.470 -0.000 0.000 0.230 49 S C 1.390 175.993 174.600 0.004 0.000 0.978 49 S CA 1.147 59.336 58.200 -0.018 0.000 0.934 49 S CB -0.587 62.580 63.200 -0.055 0.000 0.766 49 S HN 0.627 nan 8.310 nan 0.000 0.533 50 N N 1.651 120.361 118.700 0.016 0.000 2.430 50 N HA -0.045 4.695 4.740 -0.000 0.000 0.186 50 N C 1.437 177.046 175.510 0.165 0.000 1.032 50 N CA 0.551 53.631 53.050 0.051 0.000 0.893 50 N CB -0.379 38.140 38.487 0.053 0.000 0.957 50 N HN 0.303 nan 8.380 nan 0.000 0.442 51 M N 1.086 120.785 119.600 0.166 0.000 2.202 51 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 51 M C 1.252 177.721 176.300 0.283 0.000 1.063 51 M CA 1.573 57.015 55.300 0.238 0.000 1.097 51 M CB -0.057 32.620 32.600 0.128 0.000 1.382 51 M HN -0.053 nan 8.290 nan 0.000 0.413 52 K N -0.362 120.146 120.400 0.181 0.000 2.360 52 K HA -0.112 4.208 4.320 -0.000 0.000 0.201 52 K C 1.791 178.485 176.600 0.157 0.000 1.046 52 K CA 1.084 57.476 56.287 0.175 0.000 0.945 52 K CB -0.426 32.079 32.500 0.008 0.000 0.750 52 K HN 0.421 nan 8.250 nan 0.000 0.464 53 L N -0.383 120.926 121.223 0.143 0.000 2.017 53 L HA -0.173 4.166 4.340 -0.000 0.000 0.208 53 L C 2.069 179.075 176.870 0.228 0.000 1.073 53 L CA 1.387 56.309 54.840 0.137 0.000 0.745 53 L CB -0.406 41.679 42.059 0.043 0.000 0.894 53 L HN 0.075 nan 8.230 nan 0.000 0.432 54 F N -0.292 119.781 119.950 0.205 0.000 2.146 54 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 54 F C 2.674 178.573 175.800 0.165 0.000 1.096 54 F CA 1.585 59.687 58.000 0.171 0.000 1.275 54 F CB -1.075 37.996 39.000 0.118 0.000 1.008 54 F HN -0.029 nan 8.300 nan 0.000 0.480 55 T N -0.088 114.683 114.554 0.361 0.000 2.708 55 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 55 T C 2.290 177.141 174.700 0.252 0.000 1.037 55 T CA 1.412 63.679 62.100 0.280 0.000 1.146 55 T CB -0.702 68.355 68.868 0.314 0.000 0.865 55 T HN 0.293 nan 8.240 nan 0.000 0.435 56 A N 1.377 124.392 122.820 0.325 0.000 1.933 56 A HA 0.191 4.511 4.320 -0.000 0.000 0.218 56 A C 2.642 180.315 177.584 0.149 0.000 1.175 56 A CA 1.782 54.011 52.037 0.319 0.000 0.628 56 A CB -1.083 18.120 19.000 0.339 0.000 0.814 56 A HN 0.504 nan 8.150 nan 0.000 0.444 57 A N -0.022 122.899 122.820 0.167 0.000 1.877 57 A HA 0.132 4.452 4.320 -0.000 0.000 0.216 57 A C 2.515 180.001 177.584 -0.163 0.000 1.186 57 A CA 2.204 54.153 52.037 -0.146 0.000 0.620 57 A CB -1.063 17.897 19.000 -0.067 0.000 0.822 57 A HN 1.075 nan 8.150 nan 0.000 0.443 58 A N -0.364 122.457 122.820 0.003 0.000 1.930 58 A HA 0.219 4.539 4.320 -0.000 0.000 0.217 58 A C 2.420 179.980 177.584 -0.040 0.000 1.175 58 A CA 1.865 53.909 52.037 0.012 0.000 0.627 58 A CB -0.866 18.179 19.000 0.074 0.000 0.815 58 A HN 1.080 nan 8.150 nan 0.000 0.443 59 A N -0.709 122.088 122.820 -0.038 0.000 2.067 59 A HA 0.118 4.438 4.320 -0.000 0.000 0.219 59 A C 2.059 179.565 177.584 -0.130 0.000 1.158 59 A CA 1.204 53.209 52.037 -0.054 0.000 0.661 59 A CB -0.393 18.606 19.000 -0.002 0.000 0.801 59 A HN 0.470 nan 8.150 nan 0.000 0.452 60 L N -1.189 119.872 121.223 -0.270 0.000 2.202 60 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 60 L C 2.527 179.212 176.870 -0.307 0.000 1.083 60 L CA 0.618 55.192 54.840 -0.444 0.000 0.790 60 L CB -0.319 41.095 42.059 -1.076 0.000 0.942 60 L HN 0.285 nan 8.230 nan 0.000 0.452 61 E N -0.023 120.059 120.200 -0.198 0.000 2.051 61 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 61 E C 2.267 178.876 176.600 0.016 0.000 0.991 61 E CA 1.275 57.697 56.400 0.036 0.000 0.799 61 E CB -0.106 29.648 29.700 0.090 0.000 0.748 61 E HN 0.269 nan 8.360 nan 0.000 0.449 62 V N 0.875 120.774 119.914 -0.025 0.000 2.379 62 V HA -0.159 3.961 4.120 -0.000 0.000 0.243 62 V C 2.233 178.295 176.094 -0.053 0.000 1.035 62 V CA 0.981 63.267 62.300 -0.024 0.000 1.035 62 V CB -0.206 31.599 31.823 -0.029 0.000 0.673 62 V HN 0.141 nan 8.190 nan 0.000 0.457 63 L N -0.230 120.926 121.223 -0.111 0.000 2.168 63 L HA 0.434 4.774 4.340 -0.000 0.000 0.203 63 L C 1.137 177.964 176.870 -0.072 0.000 1.078 63 L CA 1.637 56.348 54.840 -0.214 0.000 0.780 63 L CB -1.438 40.355 42.059 -0.444 0.000 0.939 63 L HN 0.544 nan 8.230 nan 0.000 0.451 64 G N -1.975 106.801 108.800 -0.040 0.000 2.675 64 G HA2 0.054 4.014 3.960 -0.000 0.000 0.686 64 G HA3 0.054 4.014 3.960 -0.000 0.000 0.686 64 G C 0.661 175.579 174.900 0.030 0.000 1.215 64 G CA -0.070 45.044 45.100 0.023 0.000 0.777 64 G HN 0.380 nan 8.290 nan 0.000 0.638 65 A N 0.262 123.116 122.820 0.057 0.000 2.019 65 A HA 0.176 4.496 4.320 -0.000 0.000 0.219 65 A C 1.682 179.301 177.584 0.058 0.000 1.164 65 A CA 2.355 54.433 52.037 0.068 0.000 0.644 65 A CB -0.284 18.790 19.000 0.123 0.000 0.805 65 A HN 1.543 nan 8.150 nan 0.000 0.449 66 D N -1.808 118.620 120.400 0.047 0.000 2.722 66 D HA 0.214 4.854 4.640 -0.000 0.000 0.239 66 D C 0.097 176.377 176.300 -0.034 0.000 1.249 66 D CA -0.430 53.575 54.000 0.009 0.000 0.830 66 D CB -0.927 39.876 40.800 0.005 0.000 1.025 66 D HN 0.561 nan 8.370 nan 0.000 0.486 67 H N 0.551 119.535 119.070 -0.142 0.000 2.548 67 H HA 0.500 5.056 4.556 -0.000 0.000 0.331 67 H C -0.150 174.914 175.328 -0.441 0.000 1.093 67 H CA -0.331 55.557 56.048 -0.265 0.000 1.367 67 H CB 0.902 30.506 29.762 -0.263 0.000 1.455 67 H HN 0.129 nan 8.280 nan 0.000 0.519 68 S N 3.649 118.822 115.700 -0.879 0.000 2.634 68 S HA 0.594 5.064 4.470 -0.000 0.000 0.296 68 S C -1.222 172.774 174.600 -1.005 0.000 1.104 68 S CA -0.939 56.807 58.200 -0.757 0.000 0.920 68 S CB 1.379 64.335 63.200 -0.407 0.000 1.111 68 S HN 0.419 nan 8.310 nan 0.000 0.493 69 F N -0.030 119.805 119.950 -0.193 0.000 2.508 69 F HA 0.759 5.286 4.527 -0.000 0.000 0.325 69 F C 0.851 176.517 175.800 -0.224 0.000 1.090 69 F CA -0.554 57.340 58.000 -0.177 0.000 0.945 69 F CB 2.200 41.139 39.000 -0.102 0.000 1.156 69 F HN 0.965 nan 8.300 nan 0.000 0.463 70 G N 0.408 109.157 108.800 -0.084 0.000 2.473 70 G HA2 0.674 4.634 3.960 -0.000 0.000 0.321 70 G HA3 0.674 4.634 3.960 -0.000 0.000 0.321 70 G C -1.383 173.428 174.900 -0.149 0.000 1.200 70 G CA -0.680 44.333 45.100 -0.146 0.000 0.963 70 G HN 0.534 nan 8.290 nan 0.000 0.483 71 T N 0.712 115.207 114.554 -0.099 0.000 2.900 71 T HA 0.609 4.959 4.350 -0.000 0.000 0.295 71 T C -0.799 173.850 174.700 -0.086 0.000 1.044 71 T CA -0.570 61.468 62.100 -0.105 0.000 0.995 71 T CB 2.302 71.132 68.868 -0.063 0.000 1.072 71 T HN 0.565 nan 8.240 nan 0.000 0.473 72 E N 0.682 120.820 120.200 -0.103 0.000 2.416 72 E HA 0.694 5.044 4.350 -0.000 0.000 0.273 72 E C -1.411 175.156 176.600 -0.054 0.000 0.935 72 E CA -1.045 55.316 56.400 -0.064 0.000 0.784 72 E CB 2.604 32.269 29.700 -0.058 0.000 1.301 72 E HN 0.250 nan 8.360 nan 0.000 0.454 73 V N 0.889 120.806 119.914 0.004 0.000 2.531 73 V HA 0.724 4.844 4.120 -0.000 0.000 0.301 73 V C -0.748 175.421 176.094 0.125 0.000 1.034 73 V CA -0.635 61.704 62.300 0.065 0.000 0.865 73 V CB 1.364 33.252 31.823 0.109 0.000 0.995 73 V HN 0.767 nan 8.190 nan 0.000 0.424 74 A N 3.585 126.529 122.820 0.206 0.000 2.414 74 A HA 1.033 5.353 4.320 -0.000 0.000 0.306 74 A C -0.341 177.464 177.584 0.369 0.000 1.054 74 A CA -0.168 52.017 52.037 0.247 0.000 0.724 74 A CB 1.940 21.086 19.000 0.244 0.000 1.267 74 A HN 1.435 nan 8.150 nan 0.000 0.418 75 A N 0.359 123.317 122.820 0.230 0.000 2.435 75 A HA 0.702 5.022 4.320 -0.000 0.000 0.296 75 A C 0.706 178.110 177.584 -0.300 0.000 1.147 75 A CA 0.162 52.270 52.037 0.117 0.000 0.775 75 A CB 0.911 19.942 19.000 0.052 0.000 1.340 75 A HN 1.001 nan 8.150 nan 0.000 0.427 76 E N 0.045 119.752 120.200 -0.821 0.000 2.118 76 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 76 E C 0.428 176.682 176.600 -0.576 0.000 0.992 76 E CA 1.655 57.279 56.400 -1.295 0.000 0.804 76 E CB 0.036 28.995 29.700 -1.235 0.000 0.741 76 E HN 0.738 nan 8.360 nan 0.000 0.458 77 S N -1.619 113.885 115.700 -0.328 0.000 2.643 77 S HA 0.657 5.126 4.470 -0.000 0.000 0.270 77 S C -0.644 173.892 174.600 -0.107 0.000 1.166 77 S CA -0.776 57.317 58.200 -0.179 0.000 0.815 77 S CB 1.000 64.107 63.200 -0.154 0.000 1.139 77 S HN 0.308 nan 8.310 nan 0.000 0.472 78 A N 1.983 124.762 122.820 -0.067 0.000 2.583 78 A HA 0.483 4.803 4.320 -0.000 0.000 0.231 78 A C -1.784 175.778 177.584 -0.036 0.000 1.065 78 A CA -0.230 51.784 52.037 -0.039 0.000 0.760 78 A CB -1.152 17.830 19.000 -0.030 0.000 1.001 78 A HN 0.675 nan 8.150 nan 0.000 0.509 79 P HA 0.341 nan 4.420 nan 0.000 0.274 79 P C 0.456 177.746 177.300 -0.018 0.000 1.256 79 P CA 0.194 63.284 63.100 -0.017 0.000 0.795 79 P CB 0.548 32.244 31.700 -0.008 0.000 1.038 80 G N -0.030 108.760 108.800 -0.016 0.000 2.532 80 G HA2 0.169 4.129 3.960 -0.000 0.000 0.291 80 G HA3 0.169 4.129 3.960 -0.000 0.000 0.291 80 G C 0.946 175.839 174.900 -0.011 0.000 1.349 80 G CA -0.575 44.516 45.100 -0.014 0.000 1.038 80 G HN 0.512 nan 8.290 nan 0.000 0.518 81 R N -0.747 119.746 120.500 -0.010 0.000 2.105 81 R HA -0.066 4.273 4.340 -0.000 0.000 0.239 81 R C 2.331 178.626 176.300 -0.008 0.000 1.135 81 R CA 1.439 57.534 56.100 -0.008 0.000 0.967 81 R CB -0.124 30.171 30.300 -0.008 0.000 0.861 81 R HN 0.493 nan 8.270 nan 0.000 0.442 82 R N -0.416 120.079 120.500 -0.008 0.000 2.299 82 R HA -0.011 4.329 4.340 -0.000 0.000 0.197 82 R C 0.206 176.501 176.300 -0.008 0.000 0.971 82 R CA 0.762 56.857 56.100 -0.008 0.000 1.030 82 R CB 0.150 30.446 30.300 -0.007 0.000 0.932 82 R HN 0.480 nan 8.270 nan 0.000 0.477 83 G N 1.663 110.458 108.800 -0.008 0.000 2.272 83 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 83 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 83 G C -0.678 174.217 174.900 -0.007 0.000 1.067 83 G CA 0.266 45.362 45.100 -0.008 0.000 0.902 83 G HN 0.462 nan 8.290 nan 0.000 0.500 84 E N -0.886 119.310 120.200 -0.007 0.000 2.183 84 E HA 0.619 4.969 4.350 -0.000 0.000 0.271 84 E C 0.415 177.014 176.600 -0.002 0.000 0.919 84 E CA -0.639 55.759 56.400 -0.004 0.000 0.781 84 E CB 2.655 32.353 29.700 -0.003 0.000 1.140 84 E HN 0.705 nan 8.360 nan 0.000 0.402 85 V N -0.341 119.576 119.914 0.006 0.000 3.113 85 V HA 0.361 4.481 4.120 -0.000 0.000 0.316 85 V C 0.392 176.504 176.094 0.029 0.000 1.125 85 V CA -0.710 61.598 62.300 0.013 0.000 1.026 85 V CB 2.093 33.933 31.823 0.028 0.000 1.080 85 V HN 0.607 nan 8.190 nan 0.000 0.444 86 Q N 0.441 120.270 119.800 0.048 0.000 1.922 86 Q HA 0.234 4.574 4.340 -0.000 0.000 0.224 86 Q C -0.204 175.863 176.000 0.113 0.000 0.973 86 Q CA 1.027 56.877 55.803 0.078 0.000 0.858 86 Q CB 0.001 28.797 28.738 0.098 0.000 0.910 86 Q HN 0.930 nan 8.270 nan 0.000 0.456 87 D N 0.034 120.558 120.400 0.207 0.000 2.268 87 D HA 0.475 5.115 4.640 -0.000 0.000 0.249 87 D C -0.525 175.949 176.300 0.290 0.000 1.008 87 D CA -0.267 53.879 54.000 0.245 0.000 0.939 87 D CB 1.469 42.517 40.800 0.412 0.000 1.170 87 D HN 0.048 nan 8.370 nan 0.000 0.468 88 L N 1.182 122.499 121.223 0.155 0.000 2.422 88 L HA 0.418 4.758 4.340 -0.000 0.000 0.264 88 L C -1.577 175.332 176.870 0.066 0.000 0.984 88 L CA -0.825 54.144 54.840 0.214 0.000 0.819 88 L CB 1.759 43.916 42.059 0.164 0.000 1.330 88 L HN 0.385 nan 8.230 nan 0.000 0.410 89 Y N 3.071 123.515 120.300 0.241 0.000 2.361 89 Y HA 0.364 4.914 4.550 -0.000 0.000 0.337 89 Y C -0.302 175.632 175.900 0.057 0.000 0.965 89 Y CA -0.620 57.575 58.100 0.159 0.000 1.091 89 Y CB 2.128 40.651 38.460 0.105 0.000 1.182 89 Y HN 0.309 nan 8.280 nan 0.000 0.450 90 L N 5.454 126.728 121.223 0.085 0.000 2.261 90 L HA 0.557 4.897 4.340 -0.000 0.000 0.289 90 L C -1.054 175.786 176.870 -0.050 0.000 1.059 90 L CA -0.489 54.275 54.840 -0.127 0.000 0.816 90 L CB 0.312 42.153 42.059 -0.363 0.000 1.191 90 L HN 0.405 nan 8.230 nan 0.000 0.431 91 V N 5.090 124.967 119.914 -0.061 0.000 2.328 91 V HA 0.639 4.759 4.120 -0.000 0.000 0.278 91 V C 0.832 176.841 176.094 -0.141 0.000 1.021 91 V CA -0.426 61.833 62.300 -0.069 0.000 0.838 91 V CB 0.740 32.525 31.823 -0.063 0.000 0.999 91 V HN 0.860 nan 8.190 nan 0.000 0.447 92 G N 3.748 112.457 108.800 -0.152 0.000 2.348 92 G HA2 0.587 4.547 3.960 -0.000 0.000 0.312 92 G HA3 0.587 4.547 3.960 -0.000 0.000 0.312 92 G C 0.020 174.736 174.900 -0.306 0.000 1.126 92 G CA -0.696 44.280 45.100 -0.206 0.000 0.865 92 G HN 0.682 nan 8.290 nan 0.000 0.474 93 R N 1.495 121.745 120.500 -0.417 0.000 2.834 93 R HA 0.341 4.681 4.340 -0.000 0.000 0.362 93 R C 0.943 176.961 176.300 -0.471 0.000 1.147 93 R CA 0.168 55.813 56.100 -0.758 0.000 1.125 93 R CB 0.893 30.515 30.300 -1.130 0.000 1.361 93 R HN 0.975 nan 8.270 nan 0.000 0.598 94 G N 1.186 109.727 108.800 -0.432 0.000 2.149 94 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.235 94 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.235 94 G C -0.408 174.190 174.900 -0.503 0.000 1.018 94 G CA 0.064 44.916 45.100 -0.413 0.000 0.728 94 G HN 0.446 nan 8.290 nan 0.000 0.508 95 D N 0.615 120.824 120.400 -0.319 0.000 2.358 95 D HA 0.379 5.019 4.640 -0.000 0.000 0.258 95 D C -0.529 175.597 176.300 -0.291 0.000 1.223 95 D CA -1.806 52.037 54.000 -0.262 0.000 0.886 95 D CB 1.198 41.964 40.800 -0.057 0.000 1.120 95 D HN 0.197 nan 8.370 nan 0.000 0.482 96 P HA 0.074 nan 4.420 nan 0.000 0.257 96 P C 0.206 177.342 177.300 -0.274 0.000 1.281 96 P CA 0.263 63.149 63.100 -0.357 0.000 0.826 96 P CB 0.056 31.367 31.700 -0.649 0.000 1.237 97 T N -3.686 110.691 114.554 -0.295 0.000 3.442 97 T HA 0.247 4.596 4.350 -0.000 0.000 0.295 97 T C 0.090 174.681 174.700 -0.181 0.000 1.007 97 T CA -0.395 61.416 62.100 -0.481 0.000 0.962 97 T CB -0.637 67.635 68.868 -0.995 0.000 1.187 97 T HN -0.047 nan 8.240 nan 0.000 0.490 98 L N 3.917 125.117 121.223 -0.039 0.000 2.407 98 L HA 0.392 4.732 4.340 -0.000 0.000 0.282 98 L C 0.638 177.535 176.870 0.046 0.000 1.110 98 L CA -0.295 54.545 54.840 0.000 0.000 0.863 98 L CB 0.478 42.523 42.059 -0.024 0.000 1.207 98 L HN 0.593 nan 8.230 nan 0.000 0.454 99 S N 3.022 118.752 115.700 0.050 0.000 2.681 99 S HA 0.389 4.859 4.470 -0.000 0.000 0.270 99 S C 1.066 175.679 174.600 0.021 0.000 1.209 99 S CA -0.174 58.074 58.200 0.080 0.000 0.988 99 S CB 1.701 64.973 63.200 0.119 0.000 1.006 99 S HN 0.645 nan 8.310 nan 0.000 0.558 100 A N 0.518 123.359 122.820 0.034 0.000 2.066 100 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 100 A C 2.142 179.731 177.584 0.008 0.000 1.157 100 A CA 0.941 52.992 52.037 0.024 0.000 0.670 100 A CB -0.712 18.308 19.000 0.034 0.000 0.804 100 A HN 0.894 nan 8.150 nan 0.000 0.453 101 E N 0.396 120.596 120.200 -0.001 0.000 2.158 101 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 101 E C 0.667 177.239 176.600 -0.045 0.000 0.982 101 E CA 1.019 57.412 56.400 -0.012 0.000 0.823 101 E CB -0.587 29.112 29.700 -0.002 0.000 0.766 101 E HN 0.461 nan 8.360 nan 0.000 0.468 102 D N 1.698 122.037 120.400 -0.101 0.000 2.123 102 D HA -0.105 4.535 4.640 -0.000 0.000 0.196 102 D C 2.284 178.486 176.300 -0.163 0.000 0.992 102 D CA 0.837 54.679 54.000 -0.263 0.000 0.833 102 D CB -0.261 40.264 40.800 -0.458 0.000 0.954 102 D HN 0.182 nan 8.370 nan 0.000 0.455 103 L N 0.429 121.616 121.223 -0.059 0.000 2.046 103 L HA -0.201 4.138 4.340 -0.000 0.000 0.208 103 L C 2.212 179.168 176.870 0.143 0.000 1.077 103 L CA 1.307 56.190 54.840 0.071 0.000 0.747 103 L CB -0.429 41.706 42.059 0.126 0.000 0.896 103 L HN -0.002 nan 8.230 nan 0.000 0.432 104 D N 0.095 120.528 120.400 0.055 0.000 2.097 104 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 104 D C 2.180 178.497 176.300 0.030 0.000 0.989 104 D CA 1.466 55.483 54.000 0.028 0.000 0.827 104 D CB 0.099 40.899 40.800 0.001 0.000 0.966 104 D HN 0.245 nan 8.370 nan 0.000 0.456 105 A N 0.019 122.848 122.820 0.015 0.000 1.940 105 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 105 A C 2.346 179.958 177.584 0.047 0.000 1.176 105 A CA 1.654 53.702 52.037 0.018 0.000 0.631 105 A CB -0.678 18.323 19.000 0.001 0.000 0.814 105 A HN 0.367 nan 8.150 nan 0.000 0.446 106 M N -0.902 118.743 119.600 0.076 0.000 2.229 106 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 106 M C 2.437 178.856 176.300 0.198 0.000 1.063 106 M CA 1.213 56.594 55.300 0.136 0.000 1.114 106 M CB -0.300 32.381 32.600 0.134 0.000 1.387 106 M HN 0.497 nan 8.290 nan 0.000 0.420 107 A N 0.132 123.061 122.820 0.181 0.000 2.014 107 A HA 0.078 4.397 4.320 -0.000 0.000 0.218 107 A C 2.277 179.857 177.584 -0.006 0.000 1.163 107 A CA 1.525 53.574 52.037 0.019 0.000 0.652 107 A CB -0.624 18.288 19.000 -0.146 0.000 0.808 107 A HN 0.475 nan 8.150 nan 0.000 0.449 108 A N -0.412 122.416 122.820 0.013 0.000 2.066 108 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 108 A C 1.880 179.474 177.584 0.018 0.000 1.157 108 A CA 1.397 53.437 52.037 0.005 0.000 0.670 108 A CB -0.281 18.723 19.000 0.007 0.000 0.804 108 A HN 0.618 nan 8.150 nan 0.000 0.453 109 E N -0.461 119.762 120.200 0.039 0.000 2.051 109 E HA -0.065 4.285 4.350 -0.000 0.000 0.189 109 E C 1.903 178.528 176.600 0.042 0.000 0.979 109 E CA 0.927 57.352 56.400 0.042 0.000 0.803 109 E CB -0.133 29.600 29.700 0.054 0.000 0.761 109 E HN 0.325 nan 8.360 nan 0.000 0.451 110 V N 1.555 121.506 119.914 0.061 0.000 2.453 110 V HA -0.325 3.795 4.120 -0.000 0.000 0.252 110 V C 2.230 178.336 176.094 0.020 0.000 1.068 110 V CA 1.997 64.331 62.300 0.056 0.000 1.070 110 V CB -0.666 31.205 31.823 0.079 0.000 0.664 110 V HN 0.323 nan 8.190 nan 0.000 0.461 111 A N -0.385 122.437 122.820 0.004 0.000 1.898 111 A HA 0.093 4.413 4.320 -0.000 0.000 0.214 111 A C 2.409 179.993 177.584 -0.001 0.000 1.183 111 A CA 1.485 53.518 52.037 -0.007 0.000 0.622 111 A CB -0.651 18.338 19.000 -0.019 0.000 0.824 111 A HN 0.548 nan 8.150 nan 0.000 0.444 112 A N 0.482 123.305 122.820 0.005 0.000 1.972 112 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 112 A C 2.391 179.979 177.584 0.007 0.000 1.169 112 A CA 2.168 54.208 52.037 0.005 0.000 0.635 112 A CB -0.851 18.154 19.000 0.009 0.000 0.810 112 A HN 1.018 nan 8.150 nan 0.000 0.446 113 S N -1.973 113.734 115.700 0.011 0.000 2.561 113 S HA 0.346 4.816 4.470 -0.000 0.000 0.225 113 S C 1.328 175.932 174.600 0.006 0.000 0.977 113 S CA 1.184 59.390 58.200 0.011 0.000 0.926 113 S CB -0.211 63.000 63.200 0.019 0.000 0.769 113 S HN 1.908 nan 8.310 nan 0.000 0.533 114 G N -0.130 108.672 108.800 0.003 0.000 2.175 114 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.182 114 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.182 114 G C -0.131 174.767 174.900 -0.003 0.000 1.003 114 G CA -0.229 44.870 45.100 -0.001 0.000 0.666 114 G HN 0.632 nan 8.290 nan 0.000 0.506 115 V N 0.874 120.788 119.914 -0.001 0.000 2.530 115 V HA 0.522 4.642 4.120 -0.000 0.000 0.282 115 V C 1.441 177.527 176.094 -0.012 0.000 1.048 115 V CA 0.345 62.643 62.300 -0.003 0.000 0.997 115 V CB 1.517 33.344 31.823 0.006 0.000 0.987 115 V HN 0.351 nan 8.190 nan 0.000 0.477 116 R N 1.715 122.206 120.500 -0.014 0.000 2.369 116 R HA 0.236 4.576 4.340 -0.000 0.000 0.210 116 R C -0.197 176.089 176.300 -0.024 0.000 0.881 116 R CA 0.361 56.449 56.100 -0.020 0.000 1.031 116 R CB 0.959 31.249 30.300 -0.016 0.000 1.184 116 R HN 0.764 nan 8.270 nan 0.000 0.581 117 T N 0.451 114.993 114.554 -0.019 0.000 3.172 117 T HA 0.255 4.605 4.350 -0.000 0.000 0.320 117 T C -1.261 173.431 174.700 -0.013 0.000 1.085 117 T CA -0.397 61.691 62.100 -0.020 0.000 1.052 117 T CB 2.514 71.373 68.868 -0.015 0.000 1.107 117 T HN -0.233 nan 8.240 nan 0.000 0.458 118 V N 4.501 124.404 119.914 -0.018 0.000 2.320 118 V HA 0.272 4.392 4.120 -0.000 0.000 0.265 118 V C 1.446 177.536 176.094 -0.008 0.000 1.048 118 V CA -0.432 61.864 62.300 -0.007 0.000 0.865 118 V CB 0.866 32.681 31.823 -0.013 0.000 1.043 118 V HN 0.659 nan 8.190 nan 0.000 0.474 119 R N 4.076 124.578 120.500 0.005 0.000 2.115 119 R HA 0.062 4.402 4.340 -0.000 0.000 0.230 119 R C 1.291 177.595 176.300 0.007 0.000 1.111 119 R CA 1.423 57.526 56.100 0.005 0.000 0.976 119 R CB -0.302 30.006 30.300 0.012 0.000 0.870 119 R HN 0.758 nan 8.270 nan 0.000 0.445 120 G N -1.198 107.612 108.800 0.017 0.000 3.075 120 G HA2 0.178 4.138 3.960 -0.000 0.000 0.156 120 G HA3 0.178 4.138 3.960 -0.000 0.000 0.156 120 G C -0.909 173.965 174.900 -0.043 0.000 1.403 120 G CA -0.473 44.635 45.100 0.014 0.000 1.033 120 G HN 0.160 nan 8.290 nan 0.000 0.589 121 D N -0.020 120.325 120.400 -0.092 0.000 2.193 121 D HA 0.381 5.021 4.640 -0.000 0.000 0.249 121 D C -0.672 175.382 176.300 -0.410 0.000 1.034 121 D CA -0.281 53.542 54.000 -0.295 0.000 0.902 121 D CB 2.597 43.104 40.800 -0.488 0.000 1.182 121 D HN 0.099 nan 8.370 nan 0.000 0.436 122 L N 2.421 123.407 121.223 -0.396 0.000 2.292 122 L HA 0.304 4.644 4.340 -0.000 0.000 0.284 122 L C -1.470 175.120 176.870 -0.467 0.000 1.065 122 L CA -0.225 54.433 54.840 -0.304 0.000 0.806 122 L CB 0.308 42.308 42.059 -0.098 0.000 1.175 122 L HN 0.250 nan 8.230 nan 0.000 0.431 123 Y N 3.508 123.644 120.300 -0.274 0.000 2.446 123 Y HA 0.719 5.269 4.550 -0.000 0.000 0.345 123 Y C 0.147 175.979 175.900 -0.113 0.000 0.984 123 Y CA -0.908 57.035 58.100 -0.262 0.000 1.058 123 Y CB 2.024 40.150 38.460 -0.556 0.000 1.220 123 Y HN 0.705 nan 8.280 nan 0.000 0.455 124 A N 2.401 125.307 122.820 0.142 0.000 2.249 124 A HA 0.350 4.670 4.320 -0.000 0.000 0.314 124 A C -1.108 176.543 177.584 0.113 0.000 1.290 124 A CA -0.542 51.549 52.037 0.091 0.000 0.893 124 A CB 0.225 19.253 19.000 0.046 0.000 1.165 124 A HN 0.653 nan 8.150 nan 0.000 0.530 125 D N 2.830 123.292 120.400 0.102 0.000 2.412 125 D HA 0.216 4.856 4.640 -0.000 0.000 0.224 125 D C -0.485 175.826 176.300 0.017 0.000 1.093 125 D CA -0.225 53.825 54.000 0.083 0.000 0.850 125 D CB 1.150 42.015 40.800 0.109 0.000 1.046 125 D HN 0.546 nan 8.370 nan 0.000 0.507 126 D N 1.614 122.025 120.400 0.017 0.000 2.501 126 D HA -0.066 4.574 4.640 -0.000 0.000 0.226 126 D C 1.034 177.347 176.300 0.022 0.000 1.198 126 D CA -0.162 53.833 54.000 -0.009 0.000 0.830 126 D CB -0.225 40.571 40.800 -0.008 0.000 1.014 126 D HN 0.281 nan 8.370 nan 0.000 0.496 127 T N -4.088 110.493 114.554 0.046 0.000 3.160 127 T HA -0.084 4.266 4.350 -0.000 0.000 0.257 127 T C 1.361 176.131 174.700 0.117 0.000 1.147 127 T CA -0.308 61.828 62.100 0.060 0.000 1.064 127 T CB -0.889 67.995 68.868 0.026 0.000 0.949 127 T HN 0.375 nan 8.240 nan 0.000 0.526 128 W N 1.085 122.330 121.300 -0.091 0.000 2.363 128 W HA 0.096 4.756 4.660 -0.000 0.000 0.296 128 W C -0.713 175.878 176.519 0.121 0.000 1.212 128 W CA 0.180 57.482 57.345 -0.072 0.000 1.260 128 W CB 0.085 29.414 29.460 -0.217 0.000 1.131 128 W HN 0.143 nan 8.180 nan 0.000 0.530 129 F N 1.701 121.637 119.950 -0.023 0.000 2.497 129 F HA 0.187 4.714 4.527 -0.000 0.000 0.331 129 F C 0.775 176.504 175.800 -0.119 0.000 1.060 129 F CA -2.168 55.738 58.000 -0.156 0.000 0.989 129 F CB -0.335 38.578 39.000 -0.144 0.000 1.245 129 F HN -0.208 nan 8.300 nan 0.000 0.486 130 D N -0.940 119.484 120.400 0.040 0.000 2.372 130 D HA 0.103 4.743 4.640 -0.000 0.000 0.243 130 D C 0.330 176.646 176.300 0.027 0.000 1.297 130 D CA -0.263 53.737 54.000 0.000 0.000 0.958 130 D CB 0.239 41.011 40.800 -0.047 0.000 1.114 130 D HN 0.336 nan 8.370 nan 0.000 0.496 131 S N -2.297 113.419 115.700 0.027 0.000 2.526 131 S HA 0.124 4.594 4.470 -0.000 0.000 0.245 131 S C 0.089 174.723 174.600 0.056 0.000 1.103 131 S CA -0.805 57.422 58.200 0.046 0.000 1.095 131 S CB -0.568 62.659 63.200 0.045 0.000 0.826 131 S HN 0.525 nan 8.310 nan 0.000 0.468 132 E N 1.493 121.728 120.200 0.059 0.000 2.044 132 E HA 0.259 4.609 4.350 -0.000 0.000 0.282 132 E C 0.550 177.267 176.600 0.194 0.000 1.031 132 E CA -0.651 55.825 56.400 0.128 0.000 0.824 132 E CB 0.401 30.212 29.700 0.184 0.000 1.076 132 E HN 0.201 nan 8.360 nan 0.000 0.395 133 R N 2.727 123.329 120.500 0.169 0.000 2.153 133 R HA 0.182 4.522 4.340 -0.000 0.000 0.218 133 R C 0.354 176.806 176.300 0.253 0.000 1.072 133 R CA 0.631 56.846 56.100 0.191 0.000 0.990 133 R CB -0.193 30.197 30.300 0.150 0.000 0.889 133 R HN 0.459 nan 8.270 nan 0.000 0.452 134 L N -0.577 120.718 121.223 0.119 0.000 2.424 134 L HA 0.403 4.743 4.340 -0.000 0.000 0.258 134 L C -0.515 175.924 176.870 -0.719 0.000 0.995 134 L CA -1.110 53.592 54.840 -0.229 0.000 0.821 134 L CB 2.640 44.728 42.059 0.049 0.000 1.383 134 L HN -0.371 nan 8.230 nan 0.000 0.410 135 V N 1.027 119.929 119.914 -1.686 0.000 2.686 135 V HA -0.008 4.111 4.120 -0.000 0.000 0.295 135 V C 0.569 176.197 176.094 -0.775 0.000 1.055 135 V CA 0.045 61.419 62.300 -1.544 0.000 1.050 135 V CB 1.147 31.787 31.823 -1.972 0.000 0.984 135 V HN 1.013 nan 8.190 nan 0.000 0.482 136 D N 3.776 123.889 120.400 -0.477 0.000 2.303 136 D HA -0.327 4.313 4.640 -0.000 0.000 0.190 136 D C 1.115 177.361 176.300 -0.089 0.000 1.011 136 D CA 2.119 55.989 54.000 -0.215 0.000 0.860 136 D CB -0.370 40.333 40.800 -0.161 0.000 0.961 136 D HN 0.791 nan 8.370 nan 0.000 0.453 137 D N -1.768 118.601 120.400 -0.052 0.000 2.325 137 D HA -0.028 4.612 4.640 -0.000 0.000 0.225 137 D C -0.292 176.234 176.300 0.377 0.000 1.096 137 D CA -0.638 53.449 54.000 0.145 0.000 0.844 137 D CB -0.675 40.197 40.800 0.121 0.000 0.925 137 D HN 0.273 nan 8.370 nan 0.000 0.513 138 W N 0.956 122.301 121.300 0.075 0.000 2.137 138 W HA 0.218 4.878 4.660 -0.000 0.000 0.344 138 W C 0.350 177.063 176.519 0.324 0.000 1.286 138 W CA -1.023 56.385 57.345 0.105 0.000 1.240 138 W CB 0.045 29.528 29.460 0.039 0.000 1.141 138 W HN -0.026 nan 8.180 nan 0.000 0.579 139 W N 3.798 125.223 121.300 0.208 0.000 2.338 139 W HA 0.247 4.907 4.660 -0.000 0.000 0.307 139 W C -1.228 175.361 176.519 0.118 0.000 1.167 139 W CA -2.870 54.552 57.345 0.129 0.000 1.208 139 W CB -0.291 29.222 29.460 0.088 0.000 1.228 139 W HN 0.217 nan 8.180 nan 0.000 0.499 140 P HA -0.221 nan 4.420 nan 0.000 0.218 140 P C 0.841 178.226 177.300 0.142 0.000 1.146 140 P CA 1.876 65.079 63.100 0.172 0.000 0.813 140 P CB 0.471 32.234 31.700 0.105 0.000 0.778 141 E N -1.221 119.091 120.200 0.188 0.000 2.427 141 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 141 E C 1.236 177.960 176.600 0.206 0.000 1.028 141 E CA 0.677 57.179 56.400 0.170 0.000 0.864 141 E CB -0.639 29.177 29.700 0.193 0.000 0.813 141 E HN 0.276 nan 8.360 nan 0.000 0.514 142 D N 0.530 121.063 120.400 0.222 0.000 2.323 142 D HA -0.046 4.594 4.640 -0.000 0.000 0.209 142 D C 1.204 177.483 176.300 -0.035 0.000 0.973 142 D CA 0.378 54.504 54.000 0.210 0.000 0.874 142 D CB 0.053 40.974 40.800 0.202 0.000 0.930 142 D HN 0.258 nan 8.370 nan 0.000 0.521 143 E N 0.316 120.478 120.200 -0.064 0.000 2.160 143 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 143 E C -0.891 175.533 176.600 -0.294 0.000 0.991 143 E CA 0.831 57.157 56.400 -0.122 0.000 0.810 143 E CB -0.524 29.168 29.700 -0.014 0.000 0.742 143 E HN 0.312 nan 8.360 nan 0.000 0.466 144 P HA -0.078 nan 4.420 nan 0.000 0.242 144 P C -0.707 176.129 177.300 -0.772 0.000 1.197 144 P CA 0.884 63.580 63.100 -0.675 0.000 0.765 144 P CB -0.056 31.168 31.700 -0.794 0.000 0.936 145 Y N -1.627 118.513 120.300 -0.267 0.000 2.420 145 Y HA 0.542 5.092 4.550 -0.000 0.000 0.334 145 Y C 1.886 177.521 175.900 -0.441 0.000 1.094 145 Y CA -1.215 56.669 58.100 -0.361 0.000 1.126 145 Y CB 0.642 38.847 38.460 -0.424 0.000 1.217 145 Y HN -0.261 nan 8.280 nan 0.000 0.462 146 A N 2.004 124.771 122.820 -0.088 0.000 1.997 146 A HA -0.289 4.031 4.320 -0.000 0.000 0.221 146 A C 1.658 179.224 177.584 -0.030 0.000 1.172 146 A CA 2.289 54.303 52.037 -0.039 0.000 0.645 146 A CB -1.275 17.744 19.000 0.032 0.000 0.813 146 A HN 0.943 nan 8.150 nan 0.000 0.454 147 Y N -2.073 118.246 120.300 0.031 0.000 2.583 147 Y HA 0.322 4.872 4.550 -0.000 0.000 0.293 147 Y C 1.714 177.556 175.900 -0.097 0.000 1.157 147 Y CA 0.707 58.793 58.100 -0.023 0.000 1.315 147 Y CB -0.568 37.859 38.460 -0.055 0.000 1.021 147 Y HN 0.177 nan 8.280 nan 0.000 0.536 148 S N 0.477 115.959 115.700 -0.364 0.000 2.651 148 S HA 0.624 5.094 4.470 -0.000 0.000 0.246 148 S C 0.576 175.157 174.600 -0.032 0.000 1.039 148 S CA -0.262 57.770 58.200 -0.281 0.000 1.013 148 S CB -1.063 61.909 63.200 -0.381 0.000 0.861 148 S HN 0.587 nan 8.310 nan 0.000 0.485 149 A N 1.360 124.200 122.820 0.033 0.000 2.483 149 A HA 0.380 4.700 4.320 -0.000 0.000 0.238 149 A C 0.364 178.095 177.584 0.245 0.000 1.070 149 A CA -0.076 52.029 52.037 0.114 0.000 0.770 149 A CB 0.158 19.220 19.000 0.104 0.000 1.008 149 A HN 0.705 nan 8.150 nan 0.000 0.497 150 Q N 0.233 120.161 119.800 0.213 0.000 2.373 150 Q HA 0.255 4.595 4.340 -0.000 0.000 0.255 150 Q C -0.590 175.548 176.000 0.229 0.000 0.980 150 Q CA -0.110 55.837 55.803 0.241 0.000 0.882 150 Q CB 0.675 29.516 28.738 0.172 0.000 1.249 150 Q HN 0.542 nan 8.270 nan 0.000 0.438 151 I N 1.648 122.359 120.570 0.235 0.000 2.312 151 I HA 0.246 4.416 4.170 -0.000 0.000 0.290 151 I C 0.007 176.208 176.117 0.140 0.000 1.008 151 I CA 0.157 61.565 61.300 0.179 0.000 1.226 151 I CB 0.686 38.756 38.000 0.116 0.000 1.371 151 I HN 0.438 nan 8.210 nan 0.000 0.468 152 S N 3.779 119.570 115.700 0.152 0.000 2.569 152 S HA 0.717 5.187 4.470 -0.000 0.000 0.280 152 S C 0.817 175.443 174.600 0.043 0.000 1.111 152 S CA -0.039 58.232 58.200 0.118 0.000 0.887 152 S CB 1.939 65.175 63.200 0.061 0.000 1.095 152 S HN 0.667 nan 8.310 nan 0.000 0.476 153 A N 2.807 125.525 122.820 -0.171 0.000 2.015 153 A HA 0.255 4.575 4.320 -0.000 0.000 0.219 153 A C 0.780 178.174 177.584 -0.317 0.000 1.163 153 A CA 0.726 52.395 52.037 -0.613 0.000 0.646 153 A CB -0.286 18.291 19.000 -0.705 0.000 0.806 153 A HN 0.691 nan 8.150 nan 0.000 0.448 154 L N 0.863 121.988 121.223 -0.163 0.000 2.301 154 L HA 0.436 4.775 4.340 -0.000 0.000 0.278 154 L C -0.827 176.004 176.870 -0.066 0.000 1.022 154 L CA -0.057 54.712 54.840 -0.119 0.000 0.854 154 L CB 1.282 43.285 42.059 -0.094 0.000 1.226 154 L HN 0.183 nan 8.230 nan 0.000 0.429 155 T N 3.263 117.782 114.554 -0.057 0.000 2.916 155 T HA 0.482 4.832 4.350 -0.000 0.000 0.298 155 T C -0.856 173.846 174.700 0.004 0.000 1.031 155 T CA -0.312 61.783 62.100 -0.008 0.000 0.993 155 T CB 1.730 70.614 68.868 0.028 0.000 1.045 155 T HN 0.160 nan 8.240 nan 0.000 0.454 156 V N 4.172 124.102 119.914 0.026 0.000 2.432 156 V HA 0.697 4.817 4.120 -0.000 0.000 0.275 156 V C 0.700 176.862 176.094 0.114 0.000 1.043 156 V CA -0.648 61.683 62.300 0.053 0.000 0.925 156 V CB 0.915 32.764 31.823 0.044 0.000 0.985 156 V HN 1.076 nan 8.190 nan 0.000 0.466 157 A N 3.677 126.591 122.820 0.156 0.000 2.292 157 A HA 0.603 4.923 4.320 -0.000 0.000 0.319 157 A C -0.509 177.237 177.584 0.269 0.000 1.206 157 A CA -0.458 51.733 52.037 0.257 0.000 0.835 157 A CB 0.204 19.420 19.000 0.360 0.000 1.164 157 A HN 0.999 nan 8.150 nan 0.000 0.505 158 H N 1.541 120.702 119.070 0.152 0.000 2.502 158 H HA 0.525 5.080 4.556 -0.000 0.000 0.327 158 H C 0.849 176.195 175.328 0.030 0.000 1.099 158 H CA 1.232 57.330 56.048 0.083 0.000 1.323 158 H CB 0.886 30.679 29.762 0.052 0.000 1.450 158 H HN 1.563 nan 8.280 nan 0.000 0.502 159 G N 3.463 111.892 108.800 -0.619 0.000 2.804 159 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.230 159 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.230 159 G C 0.804 175.443 174.900 -0.434 0.000 1.386 159 G CA 0.195 45.000 45.100 -0.491 0.000 0.875 159 G HN 0.881 nan 8.290 nan 0.000 0.557 160 E N -0.427 119.548 120.200 -0.376 0.000 2.418 160 E HA 0.011 4.361 4.350 -0.000 0.000 0.197 160 E C 2.106 178.404 176.600 -0.505 0.000 1.026 160 E CA 0.908 57.018 56.400 -0.482 0.000 0.862 160 E CB 0.064 29.656 29.700 -0.180 0.000 0.799 160 E HN 0.550 nan 8.360 nan 0.000 0.518 161 R N -0.234 120.071 120.500 -0.324 0.000 2.276 161 R HA 0.130 4.470 4.340 -0.000 0.000 0.196 161 R C -0.279 176.031 176.300 0.016 0.000 0.961 161 R CA 0.203 56.187 56.100 -0.193 0.000 1.024 161 R CB -0.122 29.930 30.300 -0.413 0.000 0.940 161 R HN 0.136 nan 8.270 nan 0.000 0.480 162 F N 1.445 121.483 119.950 0.145 0.000 2.975 162 F HA -0.207 4.320 4.527 -0.000 0.000 0.319 162 F C -0.807 175.103 175.800 0.183 0.000 0.976 162 F CA -0.007 58.119 58.000 0.211 0.000 1.072 162 F CB -1.332 37.885 39.000 0.361 0.000 1.165 162 F HN 0.048 nan 8.300 nan 0.000 0.758 163 D N 1.584 122.132 120.400 0.247 0.000 2.336 163 D HA 0.199 4.839 4.640 -0.000 0.000 0.249 163 D C 0.794 177.222 176.300 0.213 0.000 1.213 163 D CA 0.306 54.415 54.000 0.181 0.000 0.870 163 D CB 1.201 42.071 40.800 0.117 0.000 1.076 163 D HN 0.311 nan 8.370 nan 0.000 0.483 164 T N -1.625 113.055 114.554 0.210 0.000 2.899 164 T HA 0.464 4.814 4.350 -0.000 0.000 0.284 164 T C 1.297 176.077 174.700 0.133 0.000 1.004 164 T CA -0.075 62.135 62.100 0.183 0.000 1.043 164 T CB 1.647 70.628 68.868 0.189 0.000 1.013 164 T HN 0.535 nan 8.240 nan 0.000 0.518 165 G N 0.329 109.194 108.800 0.110 0.000 2.166 165 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.260 165 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.260 165 G C 0.155 175.098 174.900 0.071 0.000 0.986 165 G CA 0.409 45.562 45.100 0.089 0.000 0.683 165 G HN 1.844 nan 8.290 nan 0.000 0.527 166 V N -3.549 116.403 119.914 0.063 0.000 3.019 166 V HA 0.978 5.098 4.120 -0.000 0.000 0.317 166 V C 0.101 176.201 176.094 0.010 0.000 1.094 166 V CA -0.095 62.219 62.300 0.024 0.000 1.000 166 V CB 2.010 33.830 31.823 -0.005 0.000 1.060 166 V HN 0.691 nan 8.190 nan 0.000 0.443 167 T N 0.598 115.140 114.554 -0.021 0.000 2.887 167 T HA 0.411 4.761 4.350 -0.000 0.000 0.288 167 T C -0.785 173.845 174.700 -0.118 0.000 1.021 167 T CA -0.418 61.659 62.100 -0.037 0.000 1.000 167 T CB 1.612 70.493 68.868 0.022 0.000 1.034 167 T HN 1.073 nan 8.240 nan 0.000 0.467 168 E N 3.204 123.301 120.200 -0.172 0.000 2.152 168 E HA 0.468 4.818 4.350 -0.000 0.000 0.285 168 E C -0.786 175.780 176.600 -0.056 0.000 1.043 168 E CA -0.578 55.721 56.400 -0.168 0.000 0.839 168 E CB 0.684 30.249 29.700 -0.226 0.000 1.069 168 E HN 0.388 nan 8.360 nan 0.000 0.399 169 V N 3.516 123.407 119.914 -0.039 0.000 2.567 169 V HA 0.333 4.453 4.120 -0.000 0.000 0.289 169 V C 0.066 176.157 176.094 -0.005 0.000 1.049 169 V CA -0.424 61.869 62.300 -0.011 0.000 0.969 169 V CB 1.554 33.374 31.823 -0.006 0.000 0.995 169 V HN 0.672 nan 8.190 nan 0.000 0.471 170 S N 3.699 119.402 115.700 0.004 0.000 2.677 170 S HA 0.657 5.127 4.470 -0.000 0.000 0.283 170 S C -1.237 173.369 174.600 0.009 0.000 1.159 170 S CA -0.545 57.660 58.200 0.008 0.000 1.001 170 S CB 1.583 64.791 63.200 0.013 0.000 1.032 170 S HN 0.476 nan 8.310 nan 0.000 0.487 171 V N 4.517 124.436 119.914 0.009 0.000 2.384 171 V HA 0.565 4.685 4.120 -0.000 0.000 0.287 171 V C -0.091 176.008 176.094 0.009 0.000 1.020 171 V CA -0.559 61.746 62.300 0.009 0.000 0.850 171 V CB 1.421 33.250 31.823 0.009 0.000 0.987 171 V HN 0.948 nan 8.190 nan 0.000 0.436 172 T N 7.137 121.697 114.554 0.009 0.000 2.786 172 T HA 0.471 4.821 4.350 -0.000 0.000 0.283 172 T C -2.624 172.080 174.700 0.007 0.000 0.992 172 T CA -1.317 60.788 62.100 0.008 0.000 0.954 172 T CB 1.856 70.729 68.868 0.009 0.000 0.934 172 T HN 0.478 nan 8.240 nan 0.000 0.440 173 P HA 0.440 nan 4.420 nan 0.000 0.274 173 P C -0.185 177.118 177.300 0.005 0.000 1.231 173 P CA -0.401 62.703 63.100 0.006 0.000 0.790 173 P CB 0.875 32.578 31.700 0.005 0.000 0.951 174 A N 2.416 125.239 122.820 0.005 0.000 3.453 174 A HA 0.696 5.016 4.320 -0.000 0.000 0.159 174 A C 0.483 178.070 177.584 0.004 0.000 1.974 174 A CA 0.178 52.218 52.037 0.004 0.000 1.121 174 A CB -0.744 18.259 19.000 0.004 0.000 1.879 174 A HN 0.618 nan 8.150 nan 0.000 0.752 175 A N -1.086 121.736 122.820 0.003 0.000 2.261 175 A HA 0.555 4.875 4.320 -0.000 0.000 0.323 175 A C 0.115 177.701 177.584 0.003 0.000 1.107 175 A CA -0.288 51.751 52.037 0.003 0.000 0.883 175 A CB -0.004 18.998 19.000 0.003 0.000 1.251 175 A HN 0.746 nan 8.150 nan 0.000 0.502 176 E N -0.556 119.645 120.200 0.003 0.000 2.708 176 E HA 0.198 4.548 4.350 -0.000 0.000 0.260 176 E C 1.275 177.877 176.600 0.003 0.000 0.937 176 E CA 1.445 57.847 56.400 0.003 0.000 0.953 176 E CB -0.121 29.581 29.700 0.003 0.000 0.915 176 E HN 1.548 nan 8.360 nan 0.000 0.487 177 G N 3.604 112.405 108.800 0.003 0.000 2.284 177 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.247 177 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.247 177 G C 0.075 174.976 174.900 0.002 0.000 1.012 177 G CA 0.393 45.495 45.100 0.002 0.000 0.618 177 G HN 0.608 nan 8.290 nan 0.000 0.521 178 E N 2.266 122.468 120.200 0.003 0.000 2.349 178 E HA 0.452 4.802 4.350 -0.000 0.000 0.262 178 E C -2.175 174.427 176.600 0.003 0.000 1.088 178 E CA -1.611 54.790 56.400 0.003 0.000 0.899 178 E CB 1.092 30.794 29.700 0.003 0.000 1.044 178 E HN 0.250 nan 8.360 nan 0.000 0.420 179 P HA 0.070 nan 4.420 nan 0.000 0.275 179 P C -1.164 176.139 177.300 0.004 0.000 1.228 179 P CA -0.207 62.895 63.100 0.003 0.000 0.786 179 P CB 0.872 32.574 31.700 0.003 0.000 0.927 180 A N 1.846 124.668 122.820 0.004 0.000 2.304 180 A HA 0.279 4.599 4.320 -0.000 0.000 0.271 180 A C -0.027 177.560 177.584 0.005 0.000 1.091 180 A CA -0.220 51.820 52.037 0.005 0.000 0.812 180 A CB -0.279 18.725 19.000 0.006 0.000 1.056 180 A HN 0.559 nan 8.150 nan 0.000 0.489 181 D N 0.660 121.063 120.400 0.006 0.000 2.274 181 D HA 0.440 5.080 4.640 -0.000 0.000 0.239 181 D C -0.929 175.376 176.300 0.008 0.000 1.104 181 D CA -0.002 54.002 54.000 0.007 0.000 0.840 181 D CB 1.023 41.827 40.800 0.007 0.000 1.100 181 D HN 0.166 nan 8.370 nan 0.000 0.477 182 V N 4.241 124.160 119.914 0.007 0.000 2.398 182 V HA 0.340 4.459 4.120 -0.000 0.000 0.286 182 V C -0.410 175.690 176.094 0.011 0.000 1.026 182 V CA -0.801 61.504 62.300 0.008 0.000 0.868 182 V CB 1.636 33.463 31.823 0.006 0.000 0.982 182 V HN 0.571 nan 8.190 nan 0.000 0.443 183 D N 3.659 124.067 120.400 0.013 0.000 2.163 183 D HA 0.434 5.074 4.640 -0.000 0.000 0.248 183 D C 0.392 176.703 176.300 0.019 0.000 1.035 183 D CA -0.517 53.493 54.000 0.018 0.000 0.872 183 D CB 2.125 42.938 40.800 0.021 0.000 1.183 183 D HN 0.187 nan 8.370 nan 0.000 0.445 184 L N 1.343 122.582 121.223 0.025 0.000 2.567 184 L HA 0.273 4.613 4.340 -0.000 0.000 0.225 184 L C 1.502 178.394 176.870 0.037 0.000 1.119 184 L CA 0.766 55.623 54.840 0.028 0.000 0.871 184 L CB -1.043 41.035 42.059 0.033 0.000 1.036 184 L HN 0.775 nan 8.230 nan 0.000 0.459 185 G N -0.036 108.789 108.800 0.042 0.000 2.527 185 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.268 185 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.268 185 G C 1.097 176.044 174.900 0.078 0.000 1.175 185 G CA 0.558 45.690 45.100 0.053 0.000 0.962 185 G HN 0.448 nan 8.290 nan 0.000 0.560 186 A N -0.345 122.528 122.820 0.089 0.000 1.972 186 A HA 0.376 4.696 4.320 -0.000 0.000 0.219 186 A C 2.731 180.408 177.584 0.154 0.000 1.169 186 A CA 2.995 55.099 52.037 0.111 0.000 0.635 186 A CB -0.766 18.299 19.000 0.108 0.000 0.810 186 A HN 2.320 nan 8.150 nan 0.000 0.446 187 A N -0.459 122.444 122.820 0.139 0.000 2.261 187 A HA 0.250 4.570 4.320 -0.000 0.000 0.208 187 A C 0.673 178.351 177.584 0.157 0.000 1.223 187 A CA 0.320 52.469 52.037 0.187 0.000 0.833 187 A CB -0.411 18.695 19.000 0.178 0.000 0.830 187 A HN 0.434 nan 8.150 nan 0.000 0.483 188 E N -0.117 120.173 120.200 0.149 0.000 2.265 188 E HA 0.392 4.742 4.350 -0.000 0.000 0.272 188 E C 1.224 177.921 176.600 0.162 0.000 1.067 188 E CA 1.027 57.499 56.400 0.120 0.000 0.900 188 E CB -0.168 29.594 29.700 0.103 0.000 1.017 188 E HN 0.668 nan 8.360 nan 0.000 0.431 189 G N 3.481 112.318 108.800 0.061 0.000 2.195 189 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.246 189 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.246 189 G C 0.480 175.257 174.900 -0.206 0.000 0.984 189 G CA 0.464 45.569 45.100 0.009 0.000 0.633 189 G HN 0.607 nan 8.290 nan 0.000 0.525 190 Y N 0.876 120.935 120.300 -0.401 0.000 2.472 190 Y HA 0.715 5.265 4.550 -0.000 0.000 0.288 190 Y C 1.709 177.502 175.900 -0.179 0.000 1.154 190 Y CA 1.419 59.268 58.100 -0.418 0.000 1.238 190 Y CB -0.099 38.091 38.460 -0.450 0.000 1.287 190 Y HN 0.643 nan 8.280 nan 0.000 0.524 191 A N 1.401 124.101 122.820 -0.200 0.000 2.302 191 A HA 0.401 4.721 4.320 -0.000 0.000 0.285 191 A C -0.397 177.104 177.584 -0.139 0.000 1.105 191 A CA -0.557 51.345 52.037 -0.226 0.000 0.816 191 A CB 0.176 19.131 19.000 -0.075 0.000 1.067 191 A HN 0.513 nan 8.150 nan 0.000 0.489 192 E N -0.324 119.797 120.200 -0.133 0.000 2.283 192 E HA 0.440 4.790 4.350 -0.000 0.000 0.271 192 E C -1.211 175.356 176.600 -0.055 0.000 1.031 192 E CA -0.600 55.749 56.400 -0.085 0.000 0.868 192 E CB 1.606 31.255 29.700 -0.085 0.000 1.094 192 E HN 0.449 nan 8.360 nan 0.000 0.401 193 L N 1.637 122.837 121.223 -0.038 0.000 2.333 193 L HA 0.373 4.713 4.340 -0.000 0.000 0.280 193 L C -1.272 175.585 176.870 -0.021 0.000 1.004 193 L CA -0.284 54.541 54.840 -0.024 0.000 0.820 193 L CB 1.682 43.733 42.059 -0.014 0.000 1.247 193 L HN 0.358 nan 8.230 nan 0.000 0.416 194 D N 2.922 123.310 120.400 -0.019 0.000 2.458 194 D HA 0.249 4.889 4.640 -0.000 0.000 0.258 194 D C -0.953 175.342 176.300 -0.009 0.000 1.134 194 D CA -0.149 53.842 54.000 -0.015 0.000 0.915 194 D CB 0.393 41.183 40.800 -0.017 0.000 1.028 194 D HN 0.441 nan 8.370 nan 0.000 0.508 195 N N 2.476 121.172 118.700 -0.006 0.000 2.437 195 N HA 0.148 4.888 4.740 -0.000 0.000 0.243 195 N C 0.220 175.729 175.510 -0.001 0.000 1.041 195 N CA -0.190 52.858 53.050 -0.002 0.000 0.940 195 N CB 0.577 39.063 38.487 -0.001 0.000 1.133 195 N HN 0.266 nan 8.380 nan 0.000 0.506 196 R N 1.552 122.052 120.500 -0.000 0.000 2.397 196 R HA 0.265 4.605 4.340 -0.000 0.000 0.241 196 R C 0.119 176.421 176.300 0.003 0.000 0.914 196 R CA -0.316 55.784 56.100 0.001 0.000 1.071 196 R CB -0.016 30.285 30.300 0.001 0.000 1.116 196 R HN 0.455 nan 8.270 nan 0.000 0.524 197 A N 1.945 124.767 122.820 0.004 0.000 2.477 197 A HA 0.369 4.689 4.320 -0.000 0.000 0.246 197 A C 0.824 178.411 177.584 0.004 0.000 1.078 197 A CA -0.304 51.736 52.037 0.005 0.000 0.770 197 A CB 0.325 19.329 19.000 0.006 0.000 1.011 197 A HN 0.070 nan 8.150 nan 0.000 0.494 198 V N 0.330 120.247 119.914 0.005 0.000 3.267 198 V HA 0.839 4.959 4.120 -0.000 0.000 0.317 198 V C 0.200 176.297 176.094 0.005 0.000 1.131 198 V CA -0.689 61.613 62.300 0.004 0.000 1.031 198 V CB 1.309 33.135 31.823 0.004 0.000 1.159 198 V HN 0.768 nan 8.190 nan 0.000 0.454 199 T N 0.973 115.530 114.554 0.004 0.000 2.824 199 T HA 0.714 5.063 4.350 -0.000 0.000 0.280 199 T C 0.257 174.959 174.700 0.004 0.000 0.995 199 T CA 0.232 62.335 62.100 0.004 0.000 1.009 199 T CB 1.228 70.099 68.868 0.004 0.000 0.955 199 T HN 1.256 nan 8.240 nan 0.000 0.452 200 G N 0.828 109.631 108.800 0.004 0.000 2.511 200 G HA2 0.645 4.605 3.960 -0.000 0.000 0.316 200 G HA3 0.645 4.605 3.960 -0.000 0.000 0.316 200 G C -0.179 174.723 174.900 0.003 0.000 1.210 200 G CA -0.897 44.206 45.100 0.004 0.000 0.969 200 G HN 0.977 nan 8.290 nan 0.000 0.492 201 A N -0.530 122.292 122.820 0.003 0.000 2.425 201 A HA 0.600 4.920 4.320 -0.000 0.000 0.242 201 A C 1.067 178.653 177.584 0.003 0.000 1.077 201 A CA 0.391 52.430 52.037 0.003 0.000 0.781 201 A CB -0.144 18.858 19.000 0.003 0.000 1.020 201 A HN 1.951 nan 8.150 nan 0.000 0.494 202 A N 0.624 123.445 122.820 0.003 0.000 2.565 202 A HA 0.456 4.775 4.320 -0.000 0.000 0.237 202 A C 1.673 179.258 177.584 0.003 0.000 1.053 202 A CA 0.851 52.890 52.037 0.003 0.000 0.755 202 A CB -0.900 18.101 19.000 0.003 0.000 0.980 202 A HN 2.777 nan 8.150 nan 0.000 0.506 203 G N 1.571 110.373 108.800 0.003 0.000 2.168 203 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.263 203 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.263 203 G C 0.635 175.536 174.900 0.003 0.000 0.977 203 G CA 1.170 46.272 45.100 0.003 0.000 0.659 203 G HN 2.144 nan 8.290 nan 0.000 0.533 204 S N -0.253 115.449 115.700 0.003 0.000 2.634 204 S HA 0.750 5.220 4.470 -0.000 0.000 0.261 204 S C 0.745 175.347 174.600 0.003 0.000 1.271 204 S CA 0.284 58.486 58.200 0.003 0.000 0.985 204 S CB 1.698 64.900 63.200 0.003 0.000 0.968 204 S HN 1.884 nan 8.310 nan 0.000 0.568 205 A N 1.575 124.397 122.820 0.003 0.000 2.450 205 A HA 0.281 4.601 4.320 -0.000 0.000 0.255 205 A C 0.465 178.051 177.584 0.004 0.000 1.096 205 A CA -0.509 51.531 52.037 0.004 0.000 0.778 205 A CB -0.506 18.496 19.000 0.004 0.000 1.031 205 A HN 0.777 nan 8.150 nan 0.000 0.494 206 N N 2.427 121.129 118.700 0.004 0.000 2.415 206 N HA 0.089 4.829 4.740 -0.000 0.000 0.250 206 N C 0.473 175.987 175.510 0.006 0.000 1.127 206 N CA 0.598 53.651 53.050 0.005 0.000 0.945 206 N CB 0.609 39.099 38.487 0.005 0.000 1.196 206 N HN 0.651 nan 8.380 nan 0.000 0.499 207 T N 1.264 115.822 114.554 0.007 0.000 3.269 207 T HA 0.198 4.548 4.350 -0.000 0.000 0.269 207 T C 0.469 175.176 174.700 0.012 0.000 0.993 207 T CA -0.583 61.522 62.100 0.009 0.000 0.909 207 T CB -0.245 68.628 68.868 0.008 0.000 1.115 207 T HN 0.212 nan 8.240 nan 0.000 0.543 208 L N 2.388 123.618 121.223 0.012 0.000 2.331 208 L HA 0.615 4.954 4.340 -0.000 0.000 0.278 208 L C -0.727 176.156 176.870 0.021 0.000 1.106 208 L CA -0.140 54.709 54.840 0.015 0.000 0.824 208 L CB 0.951 43.018 42.059 0.013 0.000 1.142 208 L HN 0.191 nan 8.230 nan 0.000 0.443 209 V N 6.234 126.163 119.914 0.025 0.000 2.709 209 V HA 0.510 4.630 4.120 -0.000 0.000 0.308 209 V C -0.342 175.775 176.094 0.038 0.000 1.062 209 V CA -0.564 61.759 62.300 0.038 0.000 0.901 209 V CB 1.916 33.763 31.823 0.039 0.000 1.003 209 V HN 0.560 nan 8.190 nan 0.000 0.425 210 I N 3.217 123.820 120.570 0.055 0.000 2.439 210 I HA 0.524 4.694 4.170 -0.000 0.000 0.283 210 I C -0.946 175.200 176.117 0.049 0.000 1.023 210 I CA -0.165 61.161 61.300 0.043 0.000 1.100 210 I CB 1.796 39.820 38.000 0.040 0.000 1.238 210 I HN 0.550 nan 8.210 nan 0.000 0.445 211 D N 4.846 125.254 120.400 0.013 0.000 2.414 211 D HA 0.490 5.130 4.640 -0.000 0.000 0.241 211 D C -0.841 175.423 176.300 -0.060 0.000 1.008 211 D CA -0.721 53.265 54.000 -0.022 0.000 1.001 211 D CB 2.305 43.102 40.800 -0.005 0.000 1.277 211 D HN 0.437 nan 8.370 nan 0.000 0.538 212 R N 1.734 122.173 120.500 -0.102 0.000 2.545 212 R HA 0.411 4.751 4.340 -0.000 0.000 0.289 212 R C -2.588 173.666 176.300 -0.077 0.000 1.327 212 R CA -1.544 54.504 56.100 -0.087 0.000 1.040 212 R CB 1.238 31.478 30.300 -0.100 0.000 1.176 212 R HN 0.217 nan 8.270 nan 0.000 0.518 213 P HA -0.125 nan 4.420 nan 0.000 0.266 213 P C -0.211 177.069 177.300 -0.032 0.000 1.186 213 P CA -0.135 62.945 63.100 -0.034 0.000 0.767 213 P CB 0.435 32.120 31.700 -0.025 0.000 0.820 214 V N 0.188 120.090 119.914 -0.020 0.000 2.617 214 V HA 0.311 4.431 4.120 -0.000 0.000 0.304 214 V C 1.489 177.580 176.094 -0.005 0.000 1.040 214 V CA 0.321 62.617 62.300 -0.008 0.000 1.149 214 V CB -0.724 31.104 31.823 0.007 0.000 0.914 214 V HN 1.004 nan 8.190 nan 0.000 0.487 215 G N 2.575 111.375 108.800 -0.000 0.000 2.162 215 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.260 215 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.260 215 G C 0.303 175.197 174.900 -0.011 0.000 0.976 215 G CA 0.742 45.843 45.100 0.001 0.000 0.655 215 G HN 1.862 nan 8.290 nan 0.000 0.533 216 T N -3.020 111.521 114.554 -0.022 0.000 2.938 216 T HA 0.653 5.003 4.350 -0.000 0.000 0.285 216 T C 0.031 174.702 174.700 -0.050 0.000 1.028 216 T CA -0.223 61.855 62.100 -0.037 0.000 1.005 216 T CB 2.071 70.916 68.868 -0.039 0.000 1.157 216 T HN 0.147 nan 8.240 nan 0.000 0.550 217 N N 0.144 118.798 118.700 -0.078 0.000 2.660 217 N HA 0.322 5.062 4.740 -0.000 0.000 0.316 217 N C -1.322 174.119 175.510 -0.114 0.000 1.774 217 N CA -0.326 52.658 53.050 -0.110 0.000 0.946 217 N CB 0.273 38.646 38.487 -0.191 0.000 1.322 217 N HN 0.677 nan 8.380 nan 0.000 0.492 218 T N 1.051 115.559 114.554 -0.078 0.000 2.812 218 T HA 0.406 4.756 4.350 -0.000 0.000 0.282 218 T C -0.164 174.505 174.700 -0.051 0.000 0.990 218 T CA -0.498 61.563 62.100 -0.065 0.000 0.960 218 T CB 1.148 69.984 68.868 -0.054 0.000 0.948 218 T HN -0.010 nan 8.240 nan 0.000 0.438 219 I N 3.335 123.880 120.570 -0.043 0.000 2.301 219 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 219 I C 0.542 176.644 176.117 -0.024 0.000 1.046 219 I CA -0.640 60.641 61.300 -0.032 0.000 1.282 219 I CB 0.286 38.273 38.000 -0.022 0.000 1.409 219 I HN 0.684 nan 8.210 nan 0.000 0.484 220 A N 7.765 130.572 122.820 -0.022 0.000 2.273 220 A HA 0.624 4.944 4.320 -0.000 0.000 0.320 220 A C -0.335 177.246 177.584 -0.004 0.000 1.358 220 A CA -0.467 51.562 52.037 -0.014 0.000 0.910 220 A CB 0.520 19.511 19.000 -0.015 0.000 1.159 220 A HN 0.424 nan 8.150 nan 0.000 0.526 221 V N 3.165 123.078 119.914 -0.001 0.000 2.394 221 V HA 0.703 4.823 4.120 -0.000 0.000 0.282 221 V C 0.515 176.613 176.094 0.006 0.000 1.031 221 V CA -0.044 62.259 62.300 0.005 0.000 0.881 221 V CB 1.201 33.027 31.823 0.005 0.000 0.982 221 V HN 1.032 nan 8.190 nan 0.000 0.451 222 T N 0.761 115.321 114.554 0.010 0.000 2.887 222 T HA 0.948 5.298 4.350 -0.000 0.000 0.292 222 T C 0.120 174.827 174.700 0.011 0.000 1.087 222 T CA -0.102 62.004 62.100 0.010 0.000 1.009 222 T CB 1.844 70.719 68.868 0.010 0.000 1.203 222 T HN 1.888 nan 8.240 nan 0.000 0.518 223 G N 0.305 109.110 108.800 0.009 0.000 2.548 223 G HA2 0.232 4.192 3.960 -0.000 0.000 0.208 223 G HA3 0.232 4.192 3.960 -0.000 0.000 0.208 223 G C -0.413 174.492 174.900 0.008 0.000 1.308 223 G CA -0.206 44.900 45.100 0.010 0.000 0.924 223 G HN 1.606 nan 8.290 nan 0.000 0.540 224 S N -0.968 114.737 115.700 0.008 0.000 2.561 224 S HA 0.643 5.113 4.470 -0.000 0.000 0.303 224 S C -0.785 173.819 174.600 0.007 0.000 1.110 224 S CA -0.403 57.801 58.200 0.007 0.000 1.034 224 S CB 1.234 64.437 63.200 0.006 0.000 1.010 224 S HN 1.558 nan 8.310 nan 0.000 0.482 225 L N 6.952 128.179 121.223 0.007 0.000 2.296 225 L HA 0.667 5.007 4.340 -0.000 0.000 0.286 225 L C -2.526 174.347 176.870 0.005 0.000 1.023 225 L CA -1.861 52.983 54.840 0.006 0.000 0.812 225 L CB 1.222 43.285 42.059 0.007 0.000 1.223 225 L HN 0.412 nan 8.230 nan 0.000 0.421 226 P HA 0.069 nan 4.420 nan 0.000 0.266 226 P C 0.038 177.340 177.300 0.004 0.000 1.195 226 P CA 0.180 63.283 63.100 0.004 0.000 0.768 226 P CB 0.770 32.472 31.700 0.004 0.000 0.838 227 A N 3.719 126.542 122.820 0.004 0.000 1.986 227 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 227 A C 1.491 179.078 177.584 0.004 0.000 1.171 227 A CA 2.197 54.237 52.037 0.004 0.000 0.640 227 A CB -0.988 18.014 19.000 0.004 0.000 0.811 227 A HN 0.663 nan 8.150 nan 0.000 0.451 228 D N -0.776 119.627 120.400 0.004 0.000 2.369 228 D HA 0.379 5.019 4.640 -0.000 0.000 0.211 228 D C 0.564 176.866 176.300 0.004 0.000 1.077 228 D CA 0.444 54.446 54.000 0.004 0.000 0.842 228 D CB -0.506 40.296 40.800 0.003 0.000 0.947 228 D HN 0.351 nan 8.370 nan 0.000 0.509 229 A N 0.724 123.547 122.820 0.004 0.000 2.462 229 A HA 0.535 4.855 4.320 -0.000 0.000 0.243 229 A C 0.765 178.352 177.584 0.005 0.000 1.076 229 A CA -0.045 51.995 52.037 0.005 0.000 0.773 229 A CB 0.222 19.224 19.000 0.005 0.000 1.010 229 A HN 0.375 nan 8.150 nan 0.000 0.493 230 A N 3.863 126.686 122.820 0.005 0.000 2.531 230 A HA 0.482 4.801 4.320 -0.000 0.000 0.236 230 A C -1.994 175.594 177.584 0.007 0.000 1.062 230 A CA -0.798 51.243 52.037 0.006 0.000 0.760 230 A CB -0.830 18.173 19.000 0.006 0.000 0.995 230 A HN 0.690 nan 8.150 nan 0.000 0.501 231 P HA 0.164 nan 4.420 nan 0.000 0.264 231 P C -0.629 176.676 177.300 0.008 0.000 1.183 231 P CA 0.065 63.170 63.100 0.008 0.000 0.763 231 P CB 0.357 32.063 31.700 0.009 0.000 0.807 232 V N 3.461 123.380 119.914 0.009 0.000 2.509 232 V HA 0.440 4.560 4.120 -0.000 0.000 0.284 232 V C 0.552 176.651 176.094 0.008 0.000 1.047 232 V CA -0.074 62.231 62.300 0.008 0.000 0.952 232 V CB 1.296 33.124 31.823 0.009 0.000 0.988 232 V HN 0.723 nan 8.190 nan 0.000 0.469 233 T N 1.506 116.065 114.554 0.007 0.000 2.848 233 T HA 0.867 5.217 4.350 -0.000 0.000 0.285 233 T C -0.633 174.066 174.700 -0.002 0.000 0.995 233 T CA -0.558 61.544 62.100 0.003 0.000 0.970 233 T CB 1.846 70.718 68.868 0.007 0.000 0.976 233 T HN 1.151 nan 8.240 nan 0.000 0.441 234 A N 3.543 126.357 122.820 -0.010 0.000 2.488 234 A HA 0.690 5.010 4.320 -0.000 0.000 0.298 234 A C -0.737 176.829 177.584 -0.030 0.000 1.044 234 A CA -0.990 51.044 52.037 -0.006 0.000 0.693 234 A CB 1.210 20.221 19.000 0.019 0.000 1.272 234 A HN 0.945 nan 8.150 nan 0.000 0.402 235 L N 3.015 124.218 121.223 -0.034 0.000 2.319 235 L HA 0.485 4.825 4.340 -0.000 0.000 0.280 235 L C 0.136 176.996 176.870 -0.017 0.000 1.099 235 L CA -0.414 54.389 54.840 -0.061 0.000 0.828 235 L CB 0.417 42.435 42.059 -0.067 0.000 1.150 235 L HN 0.589 nan 8.230 nan 0.000 0.442 236 R N 1.419 121.897 120.500 -0.037 0.000 2.621 236 R HA 0.399 4.739 4.340 -0.000 0.000 0.292 236 R C -0.249 176.025 176.300 -0.044 0.000 0.969 236 R CA -0.696 55.377 56.100 -0.044 0.000 0.887 236 R CB 2.098 32.373 30.300 -0.042 0.000 1.180 236 R HN 0.694 nan 8.270 nan 0.000 0.450 237 T N -1.404 113.110 114.554 -0.067 0.000 2.860 237 T HA 0.396 4.746 4.350 -0.000 0.000 0.299 237 T C 0.827 175.526 174.700 -0.001 0.000 1.045 237 T CA -0.641 61.442 62.100 -0.029 0.000 1.071 237 T CB 0.852 69.691 68.868 -0.048 0.000 0.985 237 T HN 0.365 nan 8.240 nan 0.000 0.537 238 V N -1.241 118.705 119.914 0.052 0.000 3.103 238 V HA 0.676 4.796 4.120 -0.000 0.000 0.318 238 V C -0.502 175.656 176.094 0.106 0.000 1.114 238 V CA -1.243 61.116 62.300 0.099 0.000 1.020 238 V CB 1.642 33.598 31.823 0.221 0.000 1.085 238 V HN 0.917 nan 8.190 nan 0.000 0.446 239 D N 1.202 121.669 120.400 0.112 0.000 2.256 239 D HA 0.332 4.972 4.640 -0.000 0.000 0.250 239 D C -0.205 176.214 176.300 0.198 0.000 1.093 239 D CA 0.682 54.749 54.000 0.111 0.000 0.882 239 D CB 0.432 41.262 40.800 0.050 0.000 1.185 239 D HN 0.784 nan 8.370 nan 0.000 0.437 240 E N 2.435 122.729 120.200 0.157 0.000 2.442 240 E HA -0.139 4.211 4.350 -0.000 0.000 0.177 240 E C -1.926 174.751 176.600 0.128 0.000 1.505 240 E CA 0.002 56.495 56.400 0.156 0.000 0.662 240 E CB -0.947 28.866 29.700 0.190 0.000 1.117 240 E HN 0.482 nan 8.360 nan 0.000 0.375 241 P HA -0.252 nan 4.420 nan 0.000 0.216 241 P C 1.343 178.635 177.300 -0.012 0.000 1.154 241 P CA 2.479 65.604 63.100 0.042 0.000 0.865 241 P CB 0.139 31.876 31.700 0.060 0.000 0.789 242 A N -0.547 122.277 122.820 0.006 0.000 1.969 242 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 242 A C 2.286 179.852 177.584 -0.030 0.000 1.169 242 A CA 1.917 53.947 52.037 -0.013 0.000 0.635 242 A CB -1.425 17.581 19.000 0.010 0.000 0.810 242 A HN 0.218 nan 8.150 nan 0.000 0.445 243 A N -0.646 122.161 122.820 -0.022 0.000 1.968 243 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 243 A C 2.053 179.438 177.584 -0.332 0.000 1.169 243 A CA 1.429 53.442 52.037 -0.039 0.000 0.638 243 A CB -0.499 18.588 19.000 0.145 0.000 0.812 243 A HN 0.595 nan 8.150 nan 0.000 0.446 244 L N 0.042 120.904 121.223 -0.602 0.000 2.017 244 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 244 L C 2.652 179.379 176.870 -0.239 0.000 1.073 244 L CA 2.219 56.618 54.840 -0.735 0.000 0.745 244 L CB -0.796 40.951 42.059 -0.519 0.000 0.894 244 L HN 0.337 nan 8.230 nan 0.000 0.432 245 A N -0.529 122.212 122.820 -0.133 0.000 1.940 245 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 245 A C 2.349 179.929 177.584 -0.006 0.000 1.176 245 A CA 1.719 53.722 52.037 -0.055 0.000 0.631 245 A CB -1.631 17.332 19.000 -0.062 0.000 0.814 245 A HN 0.554 nan 8.150 nan 0.000 0.446 246 G N -1.253 107.544 108.800 -0.005 0.000 2.421 246 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.216 246 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.216 246 G C 1.476 176.435 174.900 0.099 0.000 1.171 246 G CA 1.480 46.619 45.100 0.066 0.000 0.775 246 G HN 0.741 nan 8.290 nan 0.000 0.543 247 H N 0.775 119.811 119.070 -0.057 0.000 2.289 247 H HA 0.012 4.568 4.556 -0.000 0.000 0.296 247 H C 2.505 177.831 175.328 -0.004 0.000 1.091 247 H CA 1.701 57.725 56.048 -0.040 0.000 1.274 247 H CB -0.456 29.240 29.762 -0.110 0.000 1.364 247 H HN 0.248 nan 8.280 nan 0.000 0.490 248 L N -0.998 120.155 121.223 -0.116 0.000 2.265 248 L HA -0.147 4.192 4.340 -0.000 0.000 0.215 248 L C 2.059 178.921 176.870 -0.014 0.000 1.117 248 L CA 0.858 55.628 54.840 -0.117 0.000 0.782 248 L CB -0.395 41.655 42.059 -0.015 0.000 0.914 248 L HN 0.278 nan 8.230 nan 0.000 0.441 249 F N 0.831 120.710 119.950 -0.118 0.000 2.270 249 F HA -0.125 4.402 4.527 -0.000 0.000 0.295 249 F C 2.485 178.232 175.800 -0.089 0.000 1.087 249 F CA 1.366 59.314 58.000 -0.086 0.000 1.365 249 F CB -0.067 38.898 39.000 -0.058 0.000 1.056 249 F HN 0.092 nan 8.300 nan 0.000 0.506 250 E N 0.331 120.458 120.200 -0.122 0.000 2.058 250 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 250 E C 1.976 178.439 176.600 -0.228 0.000 0.997 250 E CA 2.014 58.298 56.400 -0.193 0.000 0.801 250 E CB -0.315 29.329 29.700 -0.094 0.000 0.746 250 E HN 0.565 nan 8.360 nan 0.000 0.450 251 E N 0.107 120.173 120.200 -0.225 0.000 2.077 251 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 251 E C 2.105 178.600 176.600 -0.174 0.000 0.989 251 E CA 0.983 57.264 56.400 -0.197 0.000 0.800 251 E CB -0.198 29.364 29.700 -0.230 0.000 0.746 251 E HN 0.442 nan 8.360 nan 0.000 0.452 252 A N 1.119 123.825 122.820 -0.190 0.000 1.902 252 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 252 A C 2.184 179.620 177.584 -0.247 0.000 1.181 252 A CA 1.015 52.946 52.037 -0.177 0.000 0.623 252 A CB -0.596 18.334 19.000 -0.118 0.000 0.818 252 A HN 0.140 nan 8.150 nan 0.000 0.443 253 L N -1.222 119.762 121.223 -0.400 0.000 2.083 253 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 253 L C 2.573 179.316 176.870 -0.211 0.000 1.083 253 L CA 1.690 56.306 54.840 -0.373 0.000 0.752 253 L CB -0.348 41.418 42.059 -0.489 0.000 0.899 253 L HN 0.403 nan 8.230 nan 0.000 0.433 254 E N -0.589 119.505 120.200 -0.177 0.000 2.274 254 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 254 E C 2.036 178.581 176.600 -0.092 0.000 0.996 254 E CA 0.697 57.026 56.400 -0.117 0.000 0.840 254 E CB 0.197 29.837 29.700 -0.099 0.000 0.772 254 E HN 0.239 nan 8.360 nan 0.000 0.491 255 S N 0.153 115.794 115.700 -0.098 0.000 2.562 255 S HA 0.088 4.558 4.470 -0.000 0.000 0.221 255 S C 0.892 175.453 174.600 -0.064 0.000 0.975 255 S CA 0.148 58.305 58.200 -0.072 0.000 0.918 255 S CB 0.068 63.227 63.200 -0.068 0.000 0.772 255 S HN 0.293 nan 8.310 nan 0.000 0.531 256 N N 0.693 119.346 118.700 -0.078 0.000 2.235 256 N HA 0.184 4.924 4.740 -0.000 0.000 0.231 256 N C 0.596 176.072 175.510 -0.057 0.000 1.177 256 N CA 0.326 53.338 53.050 -0.062 0.000 0.874 256 N CB 1.144 39.591 38.487 -0.067 0.000 1.097 256 N HN 0.410 nan 8.380 nan 0.000 0.518 257 G N 0.998 109.763 108.800 -0.058 0.000 2.225 257 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.264 257 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.264 257 G C -0.304 174.564 174.900 -0.053 0.000 1.060 257 G CA -0.059 45.011 45.100 -0.049 0.000 0.833 257 G HN 0.159 nan 8.290 nan 0.000 0.498 258 V N 0.878 120.748 119.914 -0.074 0.000 2.376 258 V HA 0.525 4.645 4.120 -0.000 0.000 0.287 258 V C 0.582 176.627 176.094 -0.082 0.000 1.015 258 V CA -0.397 61.857 62.300 -0.076 0.000 0.834 258 V CB 1.616 33.382 31.823 -0.096 0.000 1.001 258 V HN 0.334 nan 8.190 nan 0.000 0.428 259 T N 4.535 119.053 114.554 -0.060 0.000 2.832 259 T HA 0.411 4.761 4.350 -0.000 0.000 0.296 259 T C 0.038 174.704 174.700 -0.057 0.000 0.968 259 T CA -0.193 61.874 62.100 -0.056 0.000 1.107 259 T CB 1.358 70.202 68.868 -0.039 0.000 0.916 259 T HN 0.360 nan 8.240 nan 0.000 0.517 260 V N 5.434 125.310 119.914 -0.064 0.000 2.350 260 V HA 0.237 4.357 4.120 -0.000 0.000 0.276 260 V C 1.168 177.234 176.094 -0.046 0.000 1.028 260 V CA -0.541 61.723 62.300 -0.061 0.000 0.860 260 V CB 1.255 33.032 31.823 -0.077 0.000 0.990 260 V HN 0.814 nan 8.190 nan 0.000 0.453 261 K N 3.063 123.440 120.400 -0.038 0.000 2.262 261 K HA 0.186 4.506 4.320 -0.000 0.000 0.200 261 K C 1.117 177.698 176.600 -0.032 0.000 1.049 261 K CA 0.666 56.936 56.287 -0.029 0.000 0.979 261 K CB 0.652 33.141 32.500 -0.019 0.000 0.773 261 K HN 0.755 nan 8.250 nan 0.000 0.474 262 G N 0.990 109.762 108.800 -0.047 0.000 2.849 262 G HA2 0.185 4.145 3.960 -0.000 0.000 0.174 262 G HA3 0.185 4.145 3.960 -0.000 0.000 0.174 262 G C -0.647 174.209 174.900 -0.073 0.000 1.370 262 G CA -0.357 44.708 45.100 -0.058 0.000 1.040 262 G HN -0.052 nan 8.290 nan 0.000 0.582 263 D N -1.038 119.299 120.400 -0.105 0.000 2.326 263 D HA 0.515 5.155 4.640 -0.000 0.000 0.248 263 D C -0.438 175.767 176.300 -0.158 0.000 1.001 263 D CA -0.240 53.701 54.000 -0.098 0.000 0.961 263 D CB 2.109 42.866 40.800 -0.071 0.000 1.183 263 D HN 0.064 nan 8.370 nan 0.000 0.502 264 V N 0.312 120.172 119.914 -0.090 0.000 2.435 264 V HA 0.808 4.928 4.120 -0.000 0.000 0.290 264 V C 0.734 176.800 176.094 -0.046 0.000 1.030 264 V CA -0.250 61.998 62.300 -0.086 0.000 0.881 264 V CB 1.227 33.056 31.823 0.010 0.000 0.983 264 V HN 0.737 nan 8.190 nan 0.000 0.445 265 G N 3.428 112.191 108.800 -0.063 0.000 2.619 265 G HA2 0.639 4.599 3.960 -0.000 0.000 0.305 265 G HA3 0.639 4.599 3.960 -0.000 0.000 0.305 265 G C -1.710 173.283 174.900 0.156 0.000 1.330 265 G CA -0.925 44.209 45.100 0.058 0.000 0.789 265 G HN 0.554 nan 8.290 nan 0.000 0.487 266 L N 0.209 121.544 121.223 0.185 0.000 2.334 266 L HA 0.782 5.122 4.340 -0.000 0.000 0.277 266 L C 0.667 177.664 176.870 0.212 0.000 1.075 266 L CA -0.085 54.863 54.840 0.180 0.000 0.804 266 L CB 1.663 43.791 42.059 0.116 0.000 1.174 266 L HN 1.051 nan 8.230 nan 0.000 0.438 267 G N 0.856 109.744 108.800 0.148 0.000 2.405 267 G HA2 0.437 4.397 3.960 -0.000 0.000 0.303 267 G HA3 0.437 4.397 3.960 -0.000 0.000 0.303 267 G C -1.012 173.922 174.900 0.056 0.000 1.644 267 G CA -0.356 44.748 45.100 0.007 0.000 0.899 267 G HN 0.806 nan 8.290 nan 0.000 0.667 268 G N -0.651 108.117 108.800 -0.053 0.000 2.451 268 G HA2 0.602 4.562 3.960 -0.000 0.000 0.303 268 G HA3 0.602 4.562 3.960 -0.000 0.000 0.303 268 G C 0.246 174.882 174.900 -0.438 0.000 1.166 268 G CA -0.518 44.501 45.100 -0.136 0.000 0.884 268 G HN 1.229 nan 8.290 nan 0.000 0.514 269 V N 2.944 122.438 119.914 -0.700 0.000 2.475 269 V HA -0.001 4.119 4.120 -0.000 0.000 0.292 269 V C -0.667 174.916 176.094 -0.853 0.000 1.003 269 V CA -0.460 61.133 62.300 -1.179 0.000 1.120 269 V CB 0.970 32.302 31.823 -0.818 0.000 0.937 269 V HN 0.657 nan 8.190 nan 0.000 0.476 270 P HA -0.310 nan 4.420 nan 0.000 0.219 270 P C 1.126 178.203 177.300 -0.372 0.000 1.153 270 P CA 2.258 64.970 63.100 -0.648 0.000 0.865 270 P CB 0.119 31.345 31.700 -0.790 0.000 0.788 271 A N -1.568 121.054 122.820 -0.330 0.000 3.255 271 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 271 A C 1.305 178.868 177.584 -0.035 0.000 0.729 271 A CA 1.101 53.054 52.037 -0.139 0.000 1.744 271 A CB -2.426 16.508 19.000 -0.109 0.000 1.006 271 A HN 0.460 nan 8.150 nan 0.000 0.662 272 D N -1.489 118.909 120.400 -0.004 0.000 2.319 272 D HA 0.088 4.728 4.640 -0.000 0.000 0.230 272 D C -0.242 176.216 176.300 0.264 0.000 1.094 272 D CA 0.031 54.093 54.000 0.104 0.000 0.856 272 D CB -0.248 40.609 40.800 0.095 0.000 0.915 272 D HN 0.580 nan 8.370 nan 0.000 0.517 273 W N 2.332 123.606 121.300 -0.042 0.000 2.360 273 W HA 0.319 4.979 4.660 -0.000 0.000 0.344 273 W C 1.382 177.882 176.519 -0.032 0.000 1.025 273 W CA -1.068 56.255 57.345 -0.038 0.000 1.480 273 W CB 0.666 30.089 29.460 -0.062 0.000 1.350 273 W HN 0.025 nan 8.180 nan 0.000 0.382 274 Q N 0.782 120.667 119.800 0.143 0.000 2.187 274 Q HA -0.065 4.275 4.340 -0.000 0.000 0.199 274 Q C -0.229 175.801 176.000 0.051 0.000 0.957 274 Q CA 1.050 56.899 55.803 0.077 0.000 0.857 274 Q CB 0.473 29.239 28.738 0.047 0.000 0.929 274 Q HN 0.337 nan 8.270 nan 0.000 0.453 275 D N 0.274 120.688 120.400 0.023 0.000 2.502 275 D HA 0.291 4.931 4.640 -0.000 0.000 0.301 275 D C -0.975 175.315 176.300 -0.017 0.000 1.202 275 D CA -0.075 53.926 54.000 0.001 0.000 0.878 275 D CB 0.700 41.488 40.800 -0.019 0.000 1.062 275 D HN 0.046 nan 8.370 nan 0.000 0.499 276 A N 1.089 123.931 122.820 0.037 0.000 2.440 276 A HA 0.221 4.541 4.320 -0.000 0.000 0.251 276 A C 0.417 178.014 177.584 0.022 0.000 1.089 276 A CA -0.132 51.935 52.037 0.050 0.000 0.779 276 A CB 0.651 19.785 19.000 0.224 0.000 1.022 276 A HN 0.192 nan 8.150 nan 0.000 0.492 277 E N 2.101 122.294 120.200 -0.010 0.000 2.089 277 E HA 0.409 4.759 4.350 -0.000 0.000 0.284 277 E C -0.884 175.740 176.600 0.040 0.000 1.023 277 E CA -0.185 56.214 56.400 -0.001 0.000 0.819 277 E CB 0.736 30.416 29.700 -0.032 0.000 1.076 277 E HN 0.334 nan 8.360 nan 0.000 0.396 278 V N 7.456 127.392 119.914 0.036 0.000 2.405 278 V HA 0.067 4.187 4.120 -0.000 0.000 0.264 278 V C 1.166 177.283 176.094 0.040 0.000 1.048 278 V CA 0.072 62.398 62.300 0.043 0.000 0.966 278 V CB 0.611 32.447 31.823 0.022 0.000 1.015 278 V HN 0.805 nan 8.190 nan 0.000 0.477 279 L N 3.820 125.079 121.223 0.059 0.000 2.354 279 L HA 0.497 4.837 4.340 -0.000 0.000 0.212 279 L C 0.973 177.879 176.870 0.060 0.000 1.091 279 L CA 0.804 55.680 54.840 0.059 0.000 0.828 279 L CB 0.107 42.214 42.059 0.079 0.000 0.973 279 L HN 0.743 nan 8.230 nan 0.000 0.461 280 A N -0.043 122.815 122.820 0.064 0.000 2.594 280 A HA 0.621 4.941 4.320 -0.000 0.000 0.295 280 A C -1.880 175.726 177.584 0.036 0.000 1.071 280 A CA -0.516 51.557 52.037 0.061 0.000 0.685 280 A CB 1.613 20.672 19.000 0.099 0.000 1.285 280 A HN 0.113 nan 8.150 nan 0.000 0.405 281 D N -0.408 120.014 120.400 0.036 0.000 2.615 281 D HA 0.642 5.282 4.640 -0.000 0.000 0.267 281 D C -1.050 175.300 176.300 0.084 0.000 1.236 281 D CA -0.271 53.745 54.000 0.026 0.000 0.839 281 D CB 1.117 41.910 40.800 -0.012 0.000 1.380 281 D HN 0.661 nan 8.370 nan 0.000 0.433 282 H N -1.491 117.545 119.070 -0.058 0.000 2.894 282 H HA 0.701 5.257 4.556 -0.000 0.000 0.367 282 H C -1.480 173.808 175.328 -0.066 0.000 1.144 282 H CA -0.260 55.757 56.048 -0.052 0.000 1.180 282 H CB 2.248 31.981 29.762 -0.049 0.000 1.758 282 H HN 0.348 nan 8.280 nan 0.000 0.541 283 T N 3.210 117.367 114.554 -0.661 0.000 2.840 283 T HA 0.358 4.708 4.350 -0.000 0.000 0.287 283 T C -0.240 174.090 174.700 -0.615 0.000 0.991 283 T CA -0.622 61.182 62.100 -0.493 0.000 0.964 283 T CB 0.897 69.594 68.868 -0.285 0.000 0.954 283 T HN 0.737 nan 8.240 nan 0.000 0.438 284 S N 2.739 118.212 115.700 -0.380 0.000 2.626 284 S HA 0.690 5.160 4.470 -0.000 0.000 0.257 284 S C 0.815 175.329 174.600 -0.142 0.000 1.288 284 S CA -0.643 57.431 58.200 -0.210 0.000 0.980 284 S CB 0.351 63.541 63.200 -0.016 0.000 0.975 284 S HN 0.961 nan 8.310 nan 0.000 0.577 285 A N 0.439 123.220 122.820 -0.064 0.000 2.448 285 A HA 0.303 4.623 4.320 -0.000 0.000 0.239 285 A C 0.507 178.070 177.584 -0.035 0.000 1.080 285 A CA -0.354 51.666 52.037 -0.029 0.000 0.779 285 A CB -0.489 18.525 19.000 0.024 0.000 1.026 285 A HN 0.891 nan 8.150 nan 0.000 0.499 286 E N -0.560 119.622 120.200 -0.029 0.000 2.409 286 E HA 0.092 4.442 4.350 -0.000 0.000 0.257 286 E C 0.863 177.479 176.600 0.028 0.000 1.150 286 E CA -0.466 55.911 56.400 -0.038 0.000 0.942 286 E CB 0.409 30.094 29.700 -0.026 0.000 0.979 286 E HN 0.581 nan 8.360 nan 0.000 0.447 287 L N 2.430 123.674 121.223 0.034 0.000 2.187 287 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 287 L C 2.046 178.991 176.870 0.125 0.000 1.100 287 L CA 2.081 56.985 54.840 0.107 0.000 0.765 287 L CB -0.633 41.486 42.059 0.100 0.000 0.904 287 L HN 0.601 nan 8.230 nan 0.000 0.437 288 S N -1.851 113.912 115.700 0.105 0.000 2.402 288 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 288 S C 1.817 176.502 174.600 0.142 0.000 1.021 288 S CA 0.928 59.203 58.200 0.125 0.000 0.974 288 S CB -0.393 62.875 63.200 0.114 0.000 0.800 288 S HN 0.462 nan 8.310 nan 0.000 0.484 289 E N 1.552 121.832 120.200 0.133 0.000 2.112 289 E HA 0.205 4.554 4.350 -0.000 0.000 0.190 289 E C 1.848 178.577 176.600 0.216 0.000 0.979 289 E CA 0.771 57.266 56.400 0.159 0.000 0.814 289 E CB -0.455 29.322 29.700 0.129 0.000 0.762 289 E HN 0.657 nan 8.360 nan 0.000 0.460 290 I N 0.278 120.967 120.570 0.200 0.000 2.546 290 I HA -0.178 3.992 4.170 -0.000 0.000 0.255 290 I C 2.075 178.403 176.117 0.353 0.000 1.163 290 I CA 0.456 61.897 61.300 0.236 0.000 1.457 290 I CB -0.112 37.966 38.000 0.130 0.000 1.092 290 I HN 0.111 nan 8.210 nan 0.000 0.434 291 L N 0.336 121.751 121.223 0.320 0.000 2.079 291 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 291 L C 2.615 179.645 176.870 0.267 0.000 1.081 291 L CA 1.457 56.523 54.840 0.376 0.000 0.752 291 L CB -0.409 41.798 42.059 0.248 0.000 0.896 291 L HN 0.146 nan 8.230 nan 0.000 0.433 292 V N 0.918 120.968 119.914 0.226 0.000 2.214 292 V HA -0.202 3.917 4.120 -0.000 0.000 0.245 292 V C -0.217 175.962 176.094 0.142 0.000 1.047 292 V CA 2.300 64.694 62.300 0.158 0.000 0.998 292 V CB -2.059 29.895 31.823 0.220 0.000 0.633 292 V HN 0.362 nan 8.190 nan 0.000 0.446 293 P HA -0.185 nan 4.420 nan 0.000 0.222 293 P C 1.722 179.233 177.300 0.351 0.000 1.147 293 P CA 1.602 64.924 63.100 0.371 0.000 0.790 293 P CB -0.175 31.911 31.700 0.643 0.000 0.780 294 F N 0.323 120.424 119.950 0.251 0.000 2.098 294 F HA -0.098 4.429 4.527 -0.000 0.000 0.294 294 F C 2.038 177.873 175.800 0.057 0.000 1.107 294 F CA 1.314 59.438 58.000 0.207 0.000 1.234 294 F CB -0.369 38.864 39.000 0.388 0.000 1.002 294 F HN -0.314 nan 8.300 nan 0.000 0.472 295 M N 0.439 119.760 119.600 -0.464 0.000 2.388 295 M HA -0.036 4.444 4.480 -0.000 0.000 0.265 295 M C 1.872 177.922 176.300 -0.417 0.000 1.088 295 M CA 0.908 55.849 55.300 -0.599 0.000 1.134 295 M CB -0.778 31.491 32.600 -0.551 0.000 1.384 295 M HN 0.124 nan 8.290 nan 0.000 0.447 296 K N 0.165 120.306 120.400 -0.432 0.000 2.057 296 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 296 K C 1.537 177.711 176.600 -0.709 0.000 1.050 296 K CA 1.416 57.301 56.287 -0.670 0.000 0.935 296 K CB -0.242 31.633 32.500 -1.043 0.000 0.715 296 K HN 0.292 nan 8.250 nan 0.000 0.439 297 F N 0.182 120.019 119.950 -0.187 0.000 2.678 297 F HA 0.225 4.752 4.527 -0.000 0.000 0.305 297 F C 0.706 176.432 175.800 -0.124 0.000 1.090 297 F CA -0.381 57.523 58.000 -0.159 0.000 1.272 297 F CB 0.162 39.061 39.000 -0.169 0.000 1.060 297 F HN -0.213 nan 8.300 nan 0.000 0.576 298 S N 1.091 116.769 115.700 -0.035 0.000 3.884 298 S HA -0.288 4.182 4.470 -0.000 0.000 0.374 298 S C 0.149 174.788 174.600 0.065 0.000 0.971 298 S CA 0.020 58.192 58.200 -0.046 0.000 1.152 298 S CB -1.988 61.178 63.200 -0.057 0.000 0.877 298 S HN 0.593 nan 8.310 nan 0.000 0.491 299 N N 1.173 119.956 118.700 0.140 0.000 2.416 299 N HA 0.197 4.937 4.740 -0.000 0.000 0.271 299 N C 1.119 176.799 175.510 0.283 0.000 1.245 299 N CA -0.275 52.867 53.050 0.153 0.000 0.940 299 N CB 0.364 38.797 38.487 -0.091 0.000 1.175 299 N HN 0.316 nan 8.380 nan 0.000 0.483 300 N N 2.407 121.234 118.700 0.212 0.000 2.188 300 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 300 N C 1.762 177.444 175.510 0.287 0.000 1.018 300 N CA 0.992 54.187 53.050 0.241 0.000 0.858 300 N CB -0.327 38.262 38.487 0.169 0.000 0.989 300 N HN 0.672 nan 8.380 nan 0.000 0.426 301 G N 0.416 109.372 108.800 0.261 0.000 2.404 301 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.215 301 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.215 301 G C 1.209 176.269 174.900 0.266 0.000 1.174 301 G CA 0.832 46.097 45.100 0.276 0.000 0.780 301 G HN 0.322 nan 8.290 nan 0.000 0.537 302 H N 1.191 120.297 119.070 0.061 0.000 2.321 302 H HA -0.088 4.468 4.556 -0.000 0.000 0.295 302 H C 2.875 177.993 175.328 -0.351 0.000 1.102 302 H CA 1.404 57.349 56.048 -0.173 0.000 1.266 302 H CB -0.751 28.901 29.762 -0.185 0.000 1.363 302 H HN 0.377 nan 8.280 nan 0.000 0.492 303 A N 1.131 123.948 122.820 -0.006 0.000 1.883 303 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 303 A C 2.234 179.880 177.584 0.103 0.000 1.186 303 A CA 1.919 54.005 52.037 0.081 0.000 0.624 303 A CB -0.175 19.067 19.000 0.403 0.000 0.822 303 A HN 0.399 nan 8.150 nan 0.000 0.444 304 E N -0.321 119.994 120.200 0.192 0.000 2.152 304 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 304 E C 2.069 178.609 176.600 -0.101 0.000 0.983 304 E CA 0.960 57.474 56.400 0.189 0.000 0.818 304 E CB -0.476 29.492 29.700 0.446 0.000 0.758 304 E HN 0.723 nan 8.360 nan 0.000 0.467 305 M N 0.358 119.925 119.600 -0.055 0.000 2.159 305 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 305 M C 2.374 178.578 176.300 -0.161 0.000 1.063 305 M CA 1.174 56.430 55.300 -0.073 0.000 1.110 305 M CB -0.293 32.321 32.600 0.023 0.000 1.374 305 M HN 0.053 nan 8.290 nan 0.000 0.411 306 L N -0.630 120.491 121.223 -0.169 0.000 2.141 306 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 306 L C 2.391 179.190 176.870 -0.119 0.000 1.094 306 L CA 0.548 55.304 54.840 -0.139 0.000 0.763 306 L CB -0.420 41.536 42.059 -0.170 0.000 0.908 306 L HN 0.105 nan 8.230 nan 0.000 0.437 307 V N 0.051 119.886 119.914 -0.132 0.000 2.295 307 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 307 V C 2.402 178.313 176.094 -0.306 0.000 1.049 307 V CA 1.798 64.016 62.300 -0.137 0.000 1.024 307 V CB -0.447 31.360 31.823 -0.026 0.000 0.648 307 V HN 0.436 nan 8.190 nan 0.000 0.447 308 K N -0.327 119.725 120.400 -0.580 0.000 2.155 308 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 308 K C 2.415 178.659 176.600 -0.593 0.000 1.052 308 K CA 1.346 57.108 56.287 -0.875 0.000 0.948 308 K CB -0.252 31.209 32.500 -1.731 0.000 0.728 308 K HN 0.330 nan 8.250 nan 0.000 0.448 309 S N 1.477 117.007 115.700 -0.284 0.000 2.370 309 S HA -0.102 4.368 4.470 -0.000 0.000 0.226 309 S C 1.930 176.526 174.600 -0.007 0.000 1.033 309 S CA 1.071 59.318 58.200 0.079 0.000 1.011 309 S CB -0.190 63.146 63.200 0.227 0.000 0.852 309 S HN 0.208 nan 8.310 nan 0.000 0.457 310 I N 1.109 121.634 120.570 -0.075 0.000 2.226 310 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 310 I C 2.643 178.709 176.117 -0.085 0.000 1.100 310 I CA 1.172 62.432 61.300 -0.065 0.000 1.374 310 I CB -0.747 37.222 38.000 -0.051 0.000 1.057 310 I HN 0.362 nan 8.210 nan 0.000 0.413 311 G N -0.287 108.429 108.800 -0.141 0.000 2.470 311 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 311 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 311 G C 1.632 176.435 174.900 -0.163 0.000 1.121 311 G CA 0.297 45.306 45.100 -0.151 0.000 0.766 311 G HN 0.279 nan 8.290 nan 0.000 0.553 312 Q N -0.139 119.553 119.800 -0.181 0.000 2.096 312 Q HA -0.016 4.324 4.340 -0.000 0.000 0.197 312 Q C 2.418 178.358 176.000 -0.100 0.000 0.964 312 Q CA 1.242 56.914 55.803 -0.219 0.000 0.838 312 Q CB -0.085 28.453 28.738 -0.333 0.000 0.906 312 Q HN 0.548 nan 8.270 nan 0.000 0.444 313 E N 0.018 120.202 120.200 -0.026 0.000 2.150 313 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 313 E C 1.682 178.278 176.600 -0.008 0.000 0.985 313 E CA 1.794 58.203 56.400 0.014 0.000 0.814 313 E CB 0.051 29.764 29.700 0.022 0.000 0.752 313 E HN 0.390 nan 8.360 nan 0.000 0.466 314 T N -3.779 110.758 114.554 -0.030 0.000 3.015 314 T HA 0.421 4.771 4.350 -0.000 0.000 0.250 314 T C 1.330 176.011 174.700 -0.032 0.000 1.057 314 T CA 0.388 62.474 62.100 -0.024 0.000 1.066 314 T CB 0.649 69.504 68.868 -0.022 0.000 0.959 314 T HN 0.120 nan 8.240 nan 0.000 0.488 315 A N -0.083 122.706 122.820 -0.053 0.000 2.664 315 A HA 0.703 5.023 4.320 -0.000 0.000 0.222 315 A C 1.610 179.149 177.584 -0.076 0.000 1.320 315 A CA 0.447 52.450 52.037 -0.057 0.000 1.029 315 A CB -0.143 18.822 19.000 -0.059 0.000 1.318 315 A HN 1.339 nan 8.150 nan 0.000 0.589 316 G N -0.967 107.772 108.800 -0.103 0.000 2.137 316 G HA2 0.257 4.217 3.960 -0.000 0.000 0.237 316 G HA3 0.257 4.217 3.960 -0.000 0.000 0.237 316 G C 0.203 174.992 174.900 -0.185 0.000 1.002 316 G CA 0.474 45.494 45.100 -0.134 0.000 0.702 316 G HN 1.974 nan 8.290 nan 0.000 0.515 317 A N -0.758 121.940 122.820 -0.203 0.000 2.427 317 A HA 0.829 5.149 4.320 -0.000 0.000 0.298 317 A C 0.343 177.769 177.584 -0.265 0.000 1.036 317 A CA 0.378 52.288 52.037 -0.212 0.000 0.701 317 A CB 1.464 20.378 19.000 -0.143 0.000 1.250 317 A HN 1.752 nan 8.150 nan 0.000 0.412 318 G N 2.115 110.740 108.800 -0.292 0.000 3.064 318 G HA2 0.481 4.441 3.960 -0.000 0.000 0.286 318 G HA3 0.481 4.441 3.960 -0.000 0.000 0.286 318 G C 0.212 174.859 174.900 -0.421 0.000 0.834 318 G CA 0.568 45.438 45.100 -0.383 0.000 1.856 318 G HN 1.231 nan 8.290 nan 0.000 0.559 319 T N -2.909 111.419 114.554 -0.376 0.000 2.901 319 T HA 0.364 4.714 4.350 -0.000 0.000 0.293 319 T C 0.573 175.100 174.700 -0.289 0.000 1.084 319 T CA -0.926 60.992 62.100 -0.304 0.000 1.008 319 T CB 1.707 70.495 68.868 -0.134 0.000 1.170 319 T HN 0.234 nan 8.240 nan 0.000 0.509 320 W N 0.642 121.840 121.300 -0.170 0.000 2.402 320 W HA 0.005 4.665 4.660 -0.000 0.000 0.286 320 W C 1.289 177.742 176.519 -0.110 0.000 1.221 320 W CA 1.149 58.408 57.345 -0.144 0.000 1.257 320 W CB -0.588 28.786 29.460 -0.143 0.000 1.120 320 W HN 0.801 nan 8.180 nan 0.000 0.551 321 D N -0.145 120.319 120.400 0.106 0.000 2.097 321 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 321 D C 2.326 178.629 176.300 0.005 0.000 0.989 321 D CA 2.100 56.125 54.000 0.041 0.000 0.827 321 D CB -0.627 40.182 40.800 0.015 0.000 0.966 321 D HN -0.034 nan 8.370 nan 0.000 0.456 322 A N 0.337 123.137 122.820 -0.033 0.000 1.872 322 A HA 0.072 4.392 4.320 -0.000 0.000 0.214 322 A C 2.351 179.904 177.584 -0.051 0.000 1.187 322 A CA 1.910 53.914 52.037 -0.054 0.000 0.614 322 A CB -1.116 17.828 19.000 -0.093 0.000 0.826 322 A HN 0.293 nan 8.150 nan 0.000 0.442 323 G N -0.266 108.489 108.800 -0.075 0.000 2.418 323 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.217 323 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.217 323 G C 1.362 176.264 174.900 0.003 0.000 1.158 323 G CA 1.157 46.216 45.100 -0.067 0.000 0.771 323 G HN 0.316 nan 8.290 nan 0.000 0.545 324 L N 0.636 121.887 121.223 0.046 0.000 2.083 324 L HA -0.009 4.331 4.340 -0.000 0.000 0.209 324 L C 3.139 180.029 176.870 0.033 0.000 1.083 324 L CA 0.753 55.630 54.840 0.060 0.000 0.752 324 L CB -0.940 41.163 42.059 0.074 0.000 0.899 324 L HN 0.108 nan 8.230 nan 0.000 0.433 325 V N -0.270 119.655 119.914 0.018 0.000 2.343 325 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 325 V C 2.582 178.684 176.094 0.013 0.000 1.051 325 V CA 1.796 64.102 62.300 0.010 0.000 1.036 325 V CB -1.335 30.488 31.823 0.000 0.000 0.654 325 V HN 0.563 nan 8.190 nan 0.000 0.451 326 G N -0.243 108.561 108.800 0.006 0.000 2.446 326 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 326 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 326 G C 1.694 176.611 174.900 0.028 0.000 1.168 326 G CA 1.292 46.397 45.100 0.008 0.000 0.771 326 G HN 0.372 nan 8.290 nan 0.000 0.551 327 V N 0.787 120.726 119.914 0.041 0.000 2.287 327 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 327 V C 2.784 178.928 176.094 0.083 0.000 1.053 327 V CA 2.222 64.566 62.300 0.073 0.000 1.027 327 V CB -0.325 31.555 31.823 0.096 0.000 0.646 327 V HN 0.420 nan 8.190 nan 0.000 0.447 328 E N 0.301 120.538 120.200 0.062 0.000 2.051 328 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 328 E C 2.204 178.838 176.600 0.057 0.000 0.991 328 E CA 1.799 58.234 56.400 0.057 0.000 0.799 328 E CB -0.100 29.619 29.700 0.031 0.000 0.748 328 E HN 0.715 nan 8.360 nan 0.000 0.449 329 E N -0.128 120.098 120.200 0.043 0.000 2.072 329 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 329 E C 2.015 178.643 176.600 0.047 0.000 0.985 329 E CA 0.946 57.368 56.400 0.038 0.000 0.801 329 E CB -0.134 29.581 29.700 0.025 0.000 0.750 329 E HN 0.319 nan 8.360 nan 0.000 0.452 330 A N 0.862 123.713 122.820 0.052 0.000 1.978 330 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 330 A C 2.114 179.746 177.584 0.080 0.000 1.170 330 A CA 1.098 53.172 52.037 0.061 0.000 0.636 330 A CB -0.524 18.509 19.000 0.055 0.000 0.810 330 A HN 0.161 nan 8.150 nan 0.000 0.448 331 L N -1.014 120.266 121.223 0.095 0.000 2.072 331 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 331 L C 2.805 179.728 176.870 0.089 0.000 1.079 331 L CA 1.315 56.225 54.840 0.116 0.000 0.752 331 L CB -0.341 41.824 42.059 0.176 0.000 0.906 331 L HN 0.304 nan 8.230 nan 0.000 0.436 332 S N -0.104 115.640 115.700 0.073 0.000 2.399 332 S HA -0.106 4.364 4.470 -0.000 0.000 0.231 332 S C 1.892 176.518 174.600 0.043 0.000 1.022 332 S CA 1.180 59.412 58.200 0.054 0.000 0.983 332 S CB -0.330 62.896 63.200 0.043 0.000 0.803 332 S HN 0.606 nan 8.310 nan 0.000 0.480 333 G N 0.551 109.378 108.800 0.046 0.000 2.572 333 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.216 333 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.216 333 G C 1.207 176.131 174.900 0.040 0.000 1.133 333 G CA 0.199 45.323 45.100 0.040 0.000 0.791 333 G HN 0.430 nan 8.290 nan 0.000 0.538 334 L N 0.131 121.385 121.223 0.052 0.000 2.446 334 L HA 0.388 4.728 4.340 -0.000 0.000 0.219 334 L C 1.843 178.721 176.870 0.012 0.000 1.116 334 L CA 1.500 56.366 54.840 0.044 0.000 0.844 334 L CB 0.176 42.285 42.059 0.084 0.000 0.970 334 L HN 0.335 nan 8.230 nan 0.000 0.457 335 G N -1.485 107.329 108.800 0.022 0.000 2.175 335 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.182 335 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.182 335 G C 0.049 174.963 174.900 0.023 0.000 1.003 335 G CA -0.023 45.085 45.100 0.013 0.000 0.666 335 G HN 0.142 nan 8.290 nan 0.000 0.506 336 V N 1.560 121.499 119.914 0.043 0.000 2.530 336 V HA 0.440 4.560 4.120 -0.000 0.000 0.282 336 V C 0.406 176.544 176.094 0.073 0.000 1.048 336 V CA -0.200 62.139 62.300 0.066 0.000 0.997 336 V CB 1.703 33.589 31.823 0.105 0.000 0.987 336 V HN 0.349 nan 8.190 nan 0.000 0.477 337 D N 3.545 123.986 120.400 0.070 0.000 2.352 337 D HA 0.104 4.744 4.640 -0.000 0.000 0.245 337 D C 1.088 177.433 176.300 0.074 0.000 1.224 337 D CA -0.055 53.980 54.000 0.059 0.000 0.879 337 D CB 1.286 42.112 40.800 0.044 0.000 1.057 337 D HN 0.725 nan 8.370 nan 0.000 0.491 338 T N 0.860 115.452 114.554 0.063 0.000 3.206 338 T HA 0.334 4.684 4.350 -0.000 0.000 0.253 338 T C 1.574 176.287 174.700 0.021 0.000 1.042 338 T CA 0.163 62.296 62.100 0.055 0.000 0.931 338 T CB 0.287 69.189 68.868 0.057 0.000 1.029 338 T HN 0.241 nan 8.240 nan 0.000 0.564 339 A N 1.590 124.423 122.820 0.022 0.000 1.933 339 A HA 0.278 4.598 4.320 -0.000 0.000 0.218 339 A C 2.393 179.977 177.584 -0.000 0.000 1.175 339 A CA 1.272 53.315 52.037 0.010 0.000 0.628 339 A CB -1.170 17.838 19.000 0.013 0.000 0.814 339 A HN 0.634 nan 8.150 nan 0.000 0.444 340 G N -1.558 107.243 108.800 0.001 0.000 3.042 340 G HA2 0.380 4.340 3.960 -0.000 0.000 0.212 340 G HA3 0.380 4.340 3.960 -0.000 0.000 0.212 340 G C 0.374 175.250 174.900 -0.040 0.000 1.166 340 G CA -0.277 44.817 45.100 -0.010 0.000 0.767 340 G HN 0.360 nan 8.290 nan 0.000 0.546 341 L N 1.297 122.483 121.223 -0.062 0.000 2.334 341 L HA 0.583 4.923 4.340 -0.000 0.000 0.277 341 L C -0.846 175.962 176.870 -0.104 0.000 1.075 341 L CA -0.515 54.244 54.840 -0.135 0.000 0.804 341 L CB 2.045 43.999 42.059 -0.176 0.000 1.174 341 L HN -0.171 nan 8.230 nan 0.000 0.438 342 V N 5.334 125.175 119.914 -0.122 0.000 2.569 342 V HA 0.384 4.504 4.120 -0.000 0.000 0.301 342 V C -0.422 175.618 176.094 -0.089 0.000 1.044 342 V CA -0.518 61.733 62.300 -0.082 0.000 0.874 342 V CB 2.042 33.831 31.823 -0.057 0.000 1.002 342 V HN 0.512 nan 8.190 nan 0.000 0.424 343 L N 3.877 125.061 121.223 -0.065 0.000 2.325 343 L HA 0.606 4.946 4.340 -0.000 0.000 0.281 343 L C 0.444 177.290 176.870 -0.039 0.000 1.004 343 L CA -0.338 54.473 54.840 -0.050 0.000 0.823 343 L CB 1.548 43.590 42.059 -0.028 0.000 1.236 343 L HN 0.587 nan 8.230 nan 0.000 0.415 344 N N 0.821 119.494 118.700 -0.045 0.000 2.239 344 N HA 0.038 4.778 4.740 -0.000 0.000 0.208 344 N C -0.767 174.652 175.510 -0.152 0.000 1.200 344 N CA 0.162 53.157 53.050 -0.091 0.000 0.895 344 N CB 0.880 39.318 38.487 -0.081 0.000 1.085 344 N HN 0.866 nan 8.380 nan 0.000 0.500 345 D N -3.645 116.731 120.400 -0.039 0.000 2.713 345 D HA 0.277 4.917 4.640 -0.000 0.000 0.306 345 D C 0.668 177.071 176.300 0.172 0.000 1.299 345 D CA -0.534 53.488 54.000 0.038 0.000 0.823 345 D CB 0.257 41.071 40.800 0.023 0.000 1.353 345 D HN -0.112 nan 8.370 nan 0.000 0.447 346 G N -1.105 107.864 108.800 0.281 0.000 2.595 346 G HA2 0.028 3.988 3.960 -0.000 0.000 0.213 346 G HA3 0.028 3.988 3.960 -0.000 0.000 0.213 346 G C 1.111 176.174 174.900 0.272 0.000 1.141 346 G CA 0.811 46.068 45.100 0.262 0.000 0.806 346 G HN 0.608 nan 8.290 nan 0.000 0.530 347 S N -0.655 115.218 115.700 0.288 0.000 2.478 347 S HA 0.336 4.806 4.470 -0.000 0.000 0.222 347 S C 1.993 176.684 174.600 0.152 0.000 1.008 347 S CA 1.158 59.509 58.200 0.252 0.000 0.928 347 S CB -0.028 63.333 63.200 0.268 0.000 0.781 347 S HN 1.430 nan 8.310 nan 0.000 0.518 348 G N 1.155 110.034 108.800 0.133 0.000 2.176 348 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.253 348 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.253 348 G C 0.568 175.468 174.900 -0.000 0.000 0.979 348 G CA 0.378 45.513 45.100 0.059 0.000 0.641 348 G HN 0.489 nan 8.290 nan 0.000 0.530 349 L N 0.804 122.025 121.223 -0.003 0.000 2.042 349 L HA 0.067 4.407 4.340 -0.000 0.000 0.210 349 L C 1.975 178.773 176.870 -0.120 0.000 1.076 349 L CA 1.701 56.432 54.840 -0.181 0.000 0.749 349 L CB -0.433 41.342 42.059 -0.474 0.000 0.893 349 L HN 0.432 nan 8.230 nan 0.000 0.432 350 S N -0.218 115.568 115.700 0.143 0.000 2.537 350 S HA 0.011 4.481 4.470 -0.000 0.000 0.286 350 S C 1.084 175.703 174.600 0.030 0.000 1.299 350 S CA -0.281 58.022 58.200 0.173 0.000 1.067 350 S CB 0.548 63.858 63.200 0.182 0.000 0.864 350 S HN 0.260 nan 8.310 nan 0.000 0.494 351 R N 3.256 123.764 120.500 0.013 0.000 2.319 351 R HA 0.076 4.416 4.340 -0.000 0.000 0.204 351 R C 1.670 177.983 176.300 0.023 0.000 0.954 351 R CA 0.488 56.588 56.100 0.001 0.000 1.066 351 R CB -0.190 30.120 30.300 0.017 0.000 0.991 351 R HN 0.714 nan 8.270 nan 0.000 0.486 352 G N 0.094 108.906 108.800 0.021 0.000 3.141 352 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.218 352 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.218 352 G C 0.063 174.953 174.900 -0.017 0.000 1.170 352 G CA -0.320 44.781 45.100 0.002 0.000 0.769 352 G HN 0.123 nan 8.290 nan 0.000 0.546 353 N N 0.497 119.186 118.700 -0.018 0.000 2.473 353 N HA 0.566 5.306 4.740 -0.000 0.000 0.291 353 N C -0.866 174.618 175.510 -0.044 0.000 1.083 353 N CA -0.105 52.923 53.050 -0.037 0.000 0.951 353 N CB 2.250 40.718 38.487 -0.030 0.000 1.164 353 N HN -0.008 nan 8.380 nan 0.000 0.480 354 L N 1.129 122.312 121.223 -0.067 0.000 2.401 354 L HA 0.625 4.965 4.340 -0.000 0.000 0.266 354 L C -0.109 176.697 176.870 -0.108 0.000 0.991 354 L CA -1.015 53.787 54.840 -0.064 0.000 0.818 354 L CB 2.082 44.114 42.059 -0.045 0.000 1.321 354 L HN 0.263 nan 8.230 nan 0.000 0.413 355 V N -1.215 118.653 119.914 -0.077 0.000 3.156 355 V HA 0.908 5.028 4.120 -0.000 0.000 0.311 355 V C -0.332 175.759 176.094 -0.006 0.000 1.208 355 V CA -0.541 61.714 62.300 -0.076 0.000 1.063 355 V CB 1.990 33.791 31.823 -0.037 0.000 1.098 355 V HN 0.823 nan 8.190 nan 0.000 0.452 356 T N -2.470 112.104 114.554 0.033 0.000 2.916 356 T HA 0.786 5.136 4.350 -0.000 0.000 0.292 356 T C 0.900 175.648 174.700 0.080 0.000 1.064 356 T CA -0.055 62.074 62.100 0.048 0.000 1.011 356 T CB 1.708 70.599 68.868 0.040 0.000 1.152 356 T HN 1.628 nan 8.240 nan 0.000 0.510 357 A N 1.014 123.874 122.820 0.068 0.000 1.902 357 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 357 A C 1.907 179.534 177.584 0.071 0.000 1.181 357 A CA 1.703 53.783 52.037 0.072 0.000 0.623 357 A CB -1.105 17.936 19.000 0.069 0.000 0.818 357 A HN 0.904 nan 8.150 nan 0.000 0.443 358 D N -0.370 120.068 120.400 0.062 0.000 2.182 358 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 358 D C 1.955 178.300 176.300 0.075 0.000 0.986 358 D CA 1.878 55.911 54.000 0.056 0.000 0.847 358 D CB -0.510 40.316 40.800 0.043 0.000 0.942 358 D HN 0.465 nan 8.370 nan 0.000 0.467 359 T N 0.260 114.882 114.554 0.113 0.000 2.812 359 T HA -0.052 4.298 4.350 -0.000 0.000 0.264 359 T C 2.337 177.175 174.700 0.230 0.000 1.042 359 T CA 0.596 62.808 62.100 0.186 0.000 1.140 359 T CB -0.306 68.695 68.868 0.222 0.000 0.870 359 T HN -0.028 nan 8.240 nan 0.000 0.445 360 V N 1.652 121.701 119.914 0.225 0.000 2.255 360 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 360 V C 2.733 178.813 176.094 -0.025 0.000 1.051 360 V CA 1.480 63.838 62.300 0.098 0.000 1.018 360 V CB -0.942 30.935 31.823 0.091 0.000 0.641 360 V HN 0.300 nan 8.190 nan 0.000 0.445 361 V N 0.499 120.409 119.914 -0.007 0.000 2.332 361 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 361 V C 2.435 178.521 176.094 -0.014 0.000 1.055 361 V CA 2.354 64.636 62.300 -0.029 0.000 1.038 361 V CB -0.793 31.032 31.823 0.004 0.000 0.651 361 V HN 0.623 nan 8.190 nan 0.000 0.450 362 D N 0.084 120.492 120.400 0.014 0.000 2.116 362 D HA -0.195 4.444 4.640 -0.000 0.000 0.193 362 D C 1.995 178.283 176.300 -0.019 0.000 0.998 362 D CA 1.597 55.605 54.000 0.014 0.000 0.836 362 D CB -0.182 40.646 40.800 0.047 0.000 0.951 362 D HN 0.364 nan 8.370 nan 0.000 0.449 363 L N 0.173 121.360 121.223 -0.059 0.000 2.093 363 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 363 L C 2.280 179.083 176.870 -0.112 0.000 1.085 363 L CA 1.248 55.999 54.840 -0.147 0.000 0.755 363 L CB -0.410 41.415 42.059 -0.390 0.000 0.904 363 L HN 0.102 nan 8.230 nan 0.000 0.435 364 L N -0.720 120.473 121.223 -0.051 0.000 2.131 364 L HA -0.095 4.244 4.340 -0.000 0.000 0.210 364 L C 2.483 179.432 176.870 0.132 0.000 1.092 364 L CA 1.128 55.998 54.840 0.051 0.000 0.759 364 L CB -1.320 40.630 42.059 -0.182 0.000 0.903 364 L HN 0.474 nan 8.230 nan 0.000 0.435 365 G N -1.148 107.676 108.800 0.041 0.000 2.394 365 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 365 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 365 G C 1.517 176.394 174.900 -0.040 0.000 1.165 365 G CA 0.080 45.202 45.100 0.037 0.000 0.784 365 G HN 0.230 nan 8.290 nan 0.000 0.535 366 Q N 0.460 120.208 119.800 -0.086 0.000 2.167 366 Q HA 0.057 4.397 4.340 -0.000 0.000 0.202 366 Q C 2.899 178.722 176.000 -0.296 0.000 0.970 366 Q CA 1.236 56.949 55.803 -0.150 0.000 0.855 366 Q CB -0.461 28.212 28.738 -0.108 0.000 0.911 366 Q HN 0.456 nan 8.270 nan 0.000 0.438 367 A N 0.628 123.233 122.820 -0.359 0.000 1.930 367 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 367 A C 2.323 179.563 177.584 -0.574 0.000 1.175 367 A CA 1.507 53.136 52.037 -0.681 0.000 0.627 367 A CB -0.904 17.426 19.000 -1.117 0.000 0.815 367 A HN 0.429 nan 8.150 nan 0.000 0.443 368 G N -0.099 108.549 108.800 -0.253 0.000 2.462 368 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.220 368 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.220 368 G C 1.541 176.310 174.900 -0.218 0.000 1.121 368 G CA 1.561 46.561 45.100 -0.167 0.000 0.758 368 G HN 0.930 nan 8.290 nan 0.000 0.559 369 S N -0.746 114.795 115.700 -0.264 0.000 2.568 369 S HA 0.700 5.170 4.470 -0.000 0.000 0.232 369 S C 0.823 175.207 174.600 -0.361 0.000 0.975 369 S CA 0.205 58.257 58.200 -0.246 0.000 0.949 369 S CB 0.573 63.673 63.200 -0.167 0.000 0.829 369 S HN 0.517 nan 8.310 nan 0.000 0.479 370 A N 2.486 124.937 122.820 -0.614 0.000 2.286 370 A HA 0.691 5.011 4.320 -0.000 0.000 0.286 370 A C -1.322 175.829 177.584 -0.722 0.000 1.097 370 A CA -1.727 49.779 52.037 -0.886 0.000 0.821 370 A CB 0.083 17.963 19.000 -1.867 0.000 1.076 370 A HN 0.219 nan 8.150 nan 0.000 0.490 371 P HA -0.123 nan 4.420 nan 0.000 0.219 371 P C 0.747 177.956 177.300 -0.153 0.000 1.146 371 P CA 1.367 64.305 63.100 -0.269 0.000 0.808 371 P CB 0.009 31.638 31.700 -0.117 0.000 0.779 372 W N -2.296 119.000 121.300 -0.007 0.000 3.305 372 W HA 0.653 5.313 4.660 0.000 0.000 0.392 372 W C 0.863 177.416 176.519 0.056 0.000 1.121 372 W CA -0.057 57.308 57.345 0.032 0.000 1.909 372 W CB -1.149 28.342 29.460 0.052 0.000 1.065 372 W HN -0.120 nan 8.180 nan 0.000 0.714 373 A N 1.340 124.152 122.820 -0.013 0.000 1.978 373 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 373 A C 2.220 179.923 177.584 0.199 0.000 1.170 373 A CA 1.441 53.492 52.037 0.025 0.000 0.636 373 A CB -0.300 18.608 19.000 -0.153 0.000 0.810 373 A HN 0.202 nan 8.150 nan 0.000 0.448 374 Q N -0.740 119.154 119.800 0.157 0.000 2.137 374 Q HA -0.089 4.251 4.340 -0.000 0.000 0.198 374 Q C 2.394 178.505 176.000 0.186 0.000 0.960 374 Q CA 2.017 57.903 55.803 0.138 0.000 0.847 374 Q CB -0.955 27.835 28.738 0.086 0.000 0.915 374 Q HN 0.855 nan 8.270 nan 0.000 0.448 375 T N -1.929 112.773 114.554 0.247 0.000 2.985 375 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 375 T C 1.465 176.332 174.700 0.277 0.000 1.076 375 T CA 0.506 62.745 62.100 0.231 0.000 1.135 375 T CB -0.362 68.634 68.868 0.213 0.000 0.890 375 T HN 0.459 nan 8.240 nan 0.000 0.480 376 W N 2.676 124.092 121.300 0.193 0.000 2.358 376 W HA -0.156 4.504 4.660 -0.000 0.000 0.303 376 W C 1.807 178.385 176.519 0.097 0.000 1.208 376 W CA 1.557 59.010 57.345 0.180 0.000 1.274 376 W CB -0.657 29.029 29.460 0.376 0.000 1.138 376 W HN 0.420 nan 8.180 nan 0.000 0.515 377 S N 1.466 117.260 115.700 0.157 0.000 2.383 377 S HA -0.079 4.391 4.470 -0.000 0.000 0.227 377 S C 2.098 176.669 174.600 -0.048 0.000 1.026 377 S CA 1.314 59.497 58.200 -0.028 0.000 0.981 377 S CB -1.009 62.196 63.200 0.007 0.000 0.818 377 S HN 0.323 nan 8.310 nan 0.000 0.472 378 A N 1.716 124.547 122.820 0.018 0.000 2.259 378 A HA 0.009 4.329 4.320 -0.000 0.000 0.212 378 A C 2.176 179.752 177.584 -0.013 0.000 1.178 378 A CA 1.372 53.420 52.037 0.018 0.000 0.734 378 A CB -0.640 18.397 19.000 0.061 0.000 0.774 378 A HN 0.601 nan 8.150 nan 0.000 0.481 379 S N -1.222 114.435 115.700 -0.073 0.000 2.502 379 S HA 0.324 4.794 4.470 -0.000 0.000 0.215 379 S C 0.428 174.887 174.600 -0.235 0.000 1.009 379 S CA -0.377 57.744 58.200 -0.131 0.000 0.908 379 S CB -0.341 62.781 63.200 -0.131 0.000 0.801 379 S HN 0.320 nan 8.310 nan 0.000 0.505 380 L N 2.780 123.854 121.223 -0.249 0.000 2.331 380 L HA 0.447 4.787 4.340 -0.000 0.000 0.278 380 L C -2.574 174.187 176.870 -0.182 0.000 1.106 380 L CA -2.399 52.288 54.840 -0.255 0.000 0.824 380 L CB 0.451 42.363 42.059 -0.246 0.000 1.142 380 L HN -0.016 nan 8.230 nan 0.000 0.443 381 P HA -0.030 nan 4.420 nan 0.000 0.264 381 P C -0.759 176.485 177.300 -0.094 0.000 1.183 381 P CA 0.019 63.021 63.100 -0.163 0.000 0.763 381 P CB 0.548 32.146 31.700 -0.170 0.000 0.807 382 V N 3.285 123.156 119.914 -0.072 0.000 2.394 382 V HA 0.458 4.578 4.120 -0.000 0.000 0.282 382 V C 0.597 176.672 176.094 -0.032 0.000 1.031 382 V CA -0.921 61.357 62.300 -0.037 0.000 0.881 382 V CB 1.015 32.824 31.823 -0.023 0.000 0.982 382 V HN 0.644 nan 8.190 nan 0.000 0.451 383 A N 3.874 126.681 122.820 -0.021 0.000 2.520 383 A HA 0.512 4.832 4.320 -0.000 0.000 0.245 383 A C 1.525 179.098 177.584 -0.019 0.000 1.072 383 A CA 0.668 52.693 52.037 -0.020 0.000 0.761 383 A CB -0.417 18.573 19.000 -0.016 0.000 1.004 383 A HN 2.191 nan 8.150 nan 0.000 0.499 384 G N 1.258 110.048 108.800 -0.017 0.000 2.184 384 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.264 384 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.264 384 G C 0.056 174.954 174.900 -0.003 0.000 0.975 384 G CA 0.442 45.536 45.100 -0.011 0.000 0.642 384 G HN 0.811 nan 8.290 nan 0.000 0.536 385 E N 0.705 120.903 120.200 -0.003 0.000 2.259 385 E HA 0.454 4.804 4.350 -0.000 0.000 0.281 385 E C 1.191 177.801 176.600 0.017 0.000 1.037 385 E CA 0.161 56.566 56.400 0.007 0.000 0.854 385 E CB 1.365 31.068 29.700 0.006 0.000 1.051 385 E HN 0.118 nan 8.360 nan 0.000 0.409 386 S N 1.877 117.592 115.700 0.026 0.000 2.356 386 S HA -0.151 4.319 4.470 -0.000 0.000 0.223 386 S C 0.715 175.349 174.600 0.057 0.000 1.032 386 S CA 0.903 59.124 58.200 0.036 0.000 1.005 386 S CB -0.011 63.209 63.200 0.033 0.000 0.867 386 S HN 0.534 nan 8.310 nan 0.000 0.449 387 D N 1.278 121.720 120.400 0.070 0.000 2.401 387 D HA 0.086 4.726 4.640 -0.000 0.000 0.254 387 D C -1.826 174.561 176.300 0.144 0.000 1.192 387 D CA -1.909 52.159 54.000 0.113 0.000 0.885 387 D CB 1.163 42.031 40.800 0.112 0.000 1.147 387 D HN 0.002 nan 8.370 nan 0.000 0.478 388 P HA -0.122 nan 4.420 nan 0.000 0.217 388 P C 0.931 178.334 177.300 0.172 0.000 1.148 388 P CA 0.995 64.246 63.100 0.251 0.000 0.828 388 P CB 0.001 31.897 31.700 0.326 0.000 0.783 389 F N -2.013 118.027 119.950 0.149 0.000 2.811 389 F HA -0.018 4.509 4.527 -0.000 0.000 0.301 389 F C 1.916 177.682 175.800 -0.056 0.000 1.151 389 F CA 0.596 58.628 58.000 0.053 0.000 1.412 389 F CB -0.124 38.947 39.000 0.117 0.000 1.113 389 F HN -0.243 nan 8.300 nan 0.000 0.579 390 V N -1.830 118.134 119.914 0.084 0.000 2.908 390 V HA 0.167 4.287 4.120 -0.000 0.000 0.240 390 V C 2.329 178.392 176.094 -0.051 0.000 1.117 390 V CA 1.362 63.675 62.300 0.021 0.000 1.133 390 V CB -0.445 31.407 31.823 0.048 0.000 0.857 390 V HN 0.261 nan 8.190 nan 0.000 0.478 391 G N -0.818 107.952 108.800 -0.050 0.000 2.545 391 G HA2 0.383 4.343 3.960 -0.000 0.000 0.212 391 G HA3 0.383 4.343 3.960 -0.000 0.000 0.212 391 G C 1.162 175.981 174.900 -0.134 0.000 1.144 391 G CA 1.024 46.084 45.100 -0.068 0.000 0.813 391 G HN 0.796 nan 8.290 nan 0.000 0.531 392 G N 0.333 109.005 108.800 -0.214 0.000 2.622 392 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.307 392 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.307 392 G C 1.463 176.290 174.900 -0.122 0.000 1.226 392 G CA 2.220 47.106 45.100 -0.357 0.000 0.997 392 G HN 1.223 nan 8.290 nan 0.000 0.551 393 T N -0.429 114.046 114.554 -0.130 0.000 3.163 393 T HA 0.378 4.728 4.350 -0.000 0.000 0.260 393 T C 1.897 176.565 174.700 -0.053 0.000 1.156 393 T CA 1.544 63.608 62.100 -0.059 0.000 1.072 393 T CB 0.011 68.836 68.868 -0.072 0.000 0.937 393 T HN 0.518 nan 8.240 nan 0.000 0.528 394 L N -0.222 120.963 121.223 -0.063 0.000 2.857 394 L HA 0.506 4.846 4.340 -0.000 0.000 0.249 394 L C 2.516 179.368 176.870 -0.030 0.000 1.172 394 L CA 0.021 54.834 54.840 -0.044 0.000 0.980 394 L CB -0.145 41.886 42.059 -0.048 0.000 1.299 394 L HN 0.289 nan 8.230 nan 0.000 0.535 395 A N 0.410 123.217 122.820 -0.021 0.000 2.019 395 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 395 A C 1.640 179.223 177.584 -0.001 0.000 1.164 395 A CA 1.348 53.383 52.037 -0.005 0.000 0.644 395 A CB -0.204 18.806 19.000 0.016 0.000 0.805 395 A HN 0.450 nan 8.150 nan 0.000 0.449 396 N N -0.566 118.132 118.700 -0.004 0.000 2.235 396 N HA 0.110 4.850 4.740 -0.000 0.000 0.209 396 N C -0.169 175.334 175.510 -0.011 0.000 1.122 396 N CA 0.099 53.146 53.050 -0.005 0.000 0.845 396 N CB 0.562 39.047 38.487 -0.003 0.000 1.004 396 N HN 0.421 nan 8.380 nan 0.000 0.499 397 R N 0.065 120.556 120.500 -0.015 0.000 2.637 397 R HA 0.411 4.751 4.340 -0.000 0.000 0.291 397 R C 0.596 176.884 176.300 -0.020 0.000 0.963 397 R CA -0.434 55.654 56.100 -0.020 0.000 0.901 397 R CB 1.565 31.851 30.300 -0.023 0.000 1.160 397 R HN -0.045 nan 8.270 nan 0.000 0.457 398 M N 0.109 119.695 119.600 -0.023 0.000 2.939 398 M HA -0.266 4.214 4.480 -0.000 0.000 0.194 398 M C -0.366 175.921 176.300 -0.020 0.000 0.617 398 M CA 1.051 56.335 55.300 -0.026 0.000 0.734 398 M CB -0.882 31.699 32.600 -0.031 0.000 2.637 398 M HN 0.574 nan 8.290 nan 0.000 0.316 399 R N 0.872 121.363 120.500 -0.015 0.000 2.585 399 R HA 0.235 4.575 4.340 -0.000 0.000 0.275 399 R C 1.393 177.688 176.300 -0.008 0.000 1.018 399 R CA 1.226 57.320 56.100 -0.009 0.000 1.072 399 R CB 0.053 30.350 30.300 -0.005 0.000 0.953 399 R HN 0.553 nan 8.270 nan 0.000 0.419 400 G N 1.674 110.471 108.800 -0.005 0.000 2.148 400 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.254 400 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.254 400 G C 0.280 175.178 174.900 -0.004 0.000 0.981 400 G CA 0.682 45.780 45.100 -0.003 0.000 0.670 400 G HN 0.758 nan 8.290 nan 0.000 0.528 401 T N -4.118 110.431 114.554 -0.009 0.000 2.870 401 T HA 0.811 5.161 4.350 -0.000 0.000 0.277 401 T C 1.649 176.345 174.700 -0.007 0.000 1.000 401 T CA 0.438 62.532 62.100 -0.011 0.000 0.982 401 T CB 1.473 70.328 68.868 -0.022 0.000 1.249 401 T HN 1.295 nan 8.240 nan 0.000 0.589 402 A N -0.092 122.725 122.820 -0.005 0.000 2.070 402 A HA 0.336 4.656 4.320 -0.000 0.000 0.220 402 A C 2.316 179.867 177.584 -0.056 0.000 1.159 402 A CA 1.484 53.525 52.037 0.006 0.000 0.656 402 A CB -1.344 17.674 19.000 0.030 0.000 0.800 402 A HN 1.212 nan 8.150 nan 0.000 0.453 403 A N -0.741 122.039 122.820 -0.067 0.000 2.238 403 A HA 0.167 4.487 4.320 -0.000 0.000 0.210 403 A C 0.914 178.453 177.584 -0.074 0.000 1.179 403 A CA 0.077 52.056 52.037 -0.096 0.000 0.827 403 A CB -0.227 18.725 19.000 -0.081 0.000 0.856 403 A HN 0.531 nan 8.150 nan 0.000 0.488 404 E N 0.377 120.548 120.200 -0.048 0.000 2.292 404 E HA 0.309 4.659 4.350 -0.000 0.000 0.265 404 E C 1.017 177.600 176.600 -0.029 0.000 1.093 404 E CA 0.581 56.963 56.400 -0.029 0.000 0.922 404 E CB -0.187 29.505 29.700 -0.013 0.000 1.001 404 E HN 0.653 nan 8.360 nan 0.000 0.444 405 G N 2.818 111.602 108.800 -0.026 0.000 2.143 405 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.249 405 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.249 405 G C 0.538 175.418 174.900 -0.033 0.000 0.981 405 G CA 0.252 45.342 45.100 -0.016 0.000 0.665 405 G HN 0.483 nan 8.290 nan 0.000 0.528 406 V N -0.711 119.157 119.914 -0.077 0.000 2.950 406 V HA 0.244 4.363 4.120 -0.000 0.000 0.231 406 V C 1.580 177.641 176.094 -0.054 0.000 1.205 406 V CA 0.861 63.080 62.300 -0.135 0.000 1.239 406 V CB 0.491 32.074 31.823 -0.399 0.000 1.050 406 V HN 0.204 nan 8.190 nan 0.000 0.498 407 V N 2.379 122.274 119.914 -0.032 0.000 2.439 407 V HA 0.162 4.282 4.120 -0.000 0.000 0.271 407 V C 0.056 176.191 176.094 0.068 0.000 1.040 407 V CA 0.104 62.437 62.300 0.054 0.000 1.002 407 V CB 0.385 32.243 31.823 0.058 0.000 1.000 407 V HN 0.471 nan 8.190 nan 0.000 0.477 408 E N 3.625 123.891 120.200 0.111 0.000 2.146 408 E HA 0.701 5.051 4.350 -0.000 0.000 0.282 408 E C -0.173 176.467 176.600 0.066 0.000 0.989 408 E CA -0.156 56.289 56.400 0.076 0.000 0.799 408 E CB 1.541 31.304 29.700 0.105 0.000 1.088 408 E HN 0.872 nan 8.360 nan 0.000 0.397 409 A N 3.377 126.183 122.820 -0.024 0.000 2.604 409 A HA 0.536 4.856 4.320 -0.000 0.000 0.295 409 A C -1.460 176.040 177.584 -0.142 0.000 1.067 409 A CA -0.871 51.109 52.037 -0.095 0.000 0.683 409 A CB 1.527 20.538 19.000 0.017 0.000 1.281 409 A HN 0.409 nan 8.150 nan 0.000 0.407 410 K N 1.125 121.412 120.400 -0.187 0.000 2.235 410 K HA 0.615 4.935 4.320 -0.000 0.000 0.266 410 K C 0.457 176.982 176.600 -0.124 0.000 0.980 410 K CA 0.315 56.494 56.287 -0.180 0.000 0.849 410 K CB 0.937 33.307 32.500 -0.216 0.000 1.098 410 K HN 0.927 nan 8.250 nan 0.000 0.445 411 T N 0.098 114.587 114.554 -0.108 0.000 2.770 411 T HA 0.738 5.088 4.350 -0.000 0.000 0.281 411 T C 0.312 174.969 174.700 -0.072 0.000 0.981 411 T CA -0.447 61.607 62.100 -0.076 0.000 0.955 411 T CB 1.226 70.050 68.868 -0.073 0.000 1.060 411 T HN 0.671 nan 8.240 nan 0.000 0.531 412 G N 0.973 109.737 108.800 -0.060 0.000 1.882 412 G HA2 0.450 4.410 3.960 -0.000 0.000 0.256 412 G HA3 0.450 4.410 3.960 -0.000 0.000 0.256 412 G C -0.579 174.287 174.900 -0.056 0.000 2.065 412 G CA -0.348 44.714 45.100 -0.063 0.000 0.882 412 G HN 1.098 nan 8.290 nan 0.000 0.574 413 T N -0.251 114.256 114.554 -0.077 0.000 2.876 413 T HA 0.854 5.204 4.350 -0.000 0.000 0.289 413 T C 0.212 174.842 174.700 -0.116 0.000 1.014 413 T CA -0.759 61.301 62.100 -0.067 0.000 0.986 413 T CB 2.306 71.149 68.868 -0.042 0.000 1.021 413 T HN 0.504 nan 8.240 nan 0.000 0.458 414 M N 0.990 120.526 119.600 -0.107 0.000 2.812 414 M HA 0.526 5.006 4.480 -0.000 0.000 0.285 414 M C 0.358 176.599 176.300 -0.099 0.000 1.216 414 M CA -1.211 53.996 55.300 -0.154 0.000 0.749 414 M CB 1.751 34.220 32.600 -0.217 0.000 1.756 414 M HN 0.693 nan 8.290 nan 0.000 0.439 415 S N 0.542 116.170 115.700 -0.120 0.000 2.546 415 S HA 0.282 4.752 4.470 -0.000 0.000 0.290 415 S C 1.039 175.570 174.600 -0.115 0.000 1.262 415 S CA 1.038 59.187 58.200 -0.086 0.000 1.083 415 S CB -0.688 62.479 63.200 -0.055 0.000 0.859 415 S HN 1.077 nan 8.310 nan 0.000 0.495 416 G N 2.784 111.470 108.800 -0.190 0.000 2.203 416 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.263 416 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.263 416 G C -0.026 174.687 174.900 -0.313 0.000 1.012 416 G CA 0.294 45.140 45.100 -0.424 0.000 0.749 416 G HN 1.399 nan 8.290 nan 0.000 0.512 417 V N -1.018 118.864 119.914 -0.053 0.000 2.851 417 V HA 0.862 4.982 4.120 -0.000 0.000 0.307 417 V C -0.160 176.023 176.094 0.149 0.000 1.129 417 V CA -0.168 62.183 62.300 0.085 0.000 0.932 417 V CB 2.099 33.915 31.823 -0.012 0.000 1.024 417 V HN 0.894 nan 8.190 nan 0.000 0.426 418 S N 2.053 117.836 115.700 0.139 0.000 2.535 418 S HA 0.909 5.379 4.470 -0.000 0.000 0.272 418 S C -1.149 173.463 174.600 0.020 0.000 1.149 418 S CA 0.318 58.545 58.200 0.046 0.000 0.888 418 S CB 1.794 64.987 63.200 -0.012 0.000 1.110 418 S HN 1.793 nan 8.310 nan 0.000 0.463 419 A N 2.555 125.376 122.820 0.002 0.000 2.549 419 A HA 0.878 5.198 4.320 -0.000 0.000 0.297 419 A C -1.996 175.590 177.584 0.004 0.000 1.061 419 A CA -0.543 51.499 52.037 0.009 0.000 0.690 419 A CB 1.756 20.762 19.000 0.011 0.000 1.287 419 A HN 1.109 nan 8.150 nan 0.000 0.402 420 L N 1.223 122.464 121.223 0.030 0.000 2.528 420 L HA 0.730 5.070 4.340 -0.000 0.000 0.267 420 L C -0.940 175.920 176.870 -0.017 0.000 0.961 420 L CA 0.341 55.209 54.840 0.046 0.000 0.866 420 L CB 2.062 44.207 42.059 0.144 0.000 1.248 420 L HN 0.664 nan 8.230 nan 0.000 0.404 421 S N 2.621 118.169 115.700 -0.253 0.000 2.547 421 S HA 1.016 5.486 4.470 -0.000 0.000 0.281 421 S C -0.179 173.963 174.600 -0.763 0.000 1.118 421 S CA -0.115 57.726 58.200 -0.598 0.000 0.947 421 S CB 1.852 64.863 63.200 -0.315 0.000 1.053 421 S HN 1.089 nan 8.310 nan 0.000 0.482 422 G N 1.192 109.225 108.800 -1.277 0.000 2.393 422 G HA2 0.508 4.468 3.960 -0.000 0.000 0.264 422 G HA3 0.508 4.468 3.960 -0.000 0.000 0.264 422 G C -2.428 171.966 174.900 -0.842 0.000 1.221 422 G CA -0.561 44.026 45.100 -0.855 0.000 0.912 422 G HN 0.519 nan 8.290 nan 0.000 0.483 423 Y N -1.207 119.076 120.300 -0.028 0.000 2.512 423 Y HA 0.644 5.194 4.550 -0.000 0.000 0.348 423 Y C -0.212 175.819 175.900 0.218 0.000 0.990 423 Y CA -1.035 57.145 58.100 0.134 0.000 1.033 423 Y CB 2.838 41.353 38.460 0.093 0.000 1.259 423 Y HN 0.308 nan 8.280 nan 0.000 0.461 424 V N 3.526 123.657 119.914 0.361 0.000 2.380 424 V HA 0.380 4.500 4.120 -0.000 0.000 0.286 424 V C -2.634 173.574 176.094 0.189 0.000 1.015 424 V CA -1.990 60.442 62.300 0.219 0.000 0.834 424 V CB 1.239 33.157 31.823 0.158 0.000 1.009 424 V HN 0.498 nan 8.190 nan 0.000 0.428 425 P HA 0.420 nan 4.420 nan 0.000 0.287 425 P C 0.030 177.466 177.300 0.226 0.000 1.281 425 P CA 0.182 63.375 63.100 0.155 0.000 0.781 425 P CB 1.696 33.467 31.700 0.117 0.000 0.903 426 G N 3.658 112.568 108.800 0.183 0.000 2.452 426 G HA2 0.434 4.394 3.960 -0.000 0.000 0.324 426 G HA3 0.434 4.394 3.960 -0.000 0.000 0.324 426 G C -1.924 173.014 174.900 0.063 0.000 1.214 426 G CA -1.912 43.288 45.100 0.165 0.000 0.947 426 G HN 0.167 nan 8.290 nan 0.000 0.478 427 P HA -0.202 nan 4.420 nan 0.000 0.221 427 P C 1.112 178.390 177.300 -0.037 0.000 1.142 427 P CA 1.272 64.336 63.100 -0.060 0.000 0.804 427 P CB 0.469 32.086 31.700 -0.139 0.000 0.756 428 E N -1.377 118.812 120.200 -0.018 0.000 2.067 428 E HA 0.228 4.578 4.350 -0.000 0.000 0.194 428 E C 1.521 178.133 176.600 0.019 0.000 0.950 428 E CA 1.241 57.632 56.400 -0.015 0.000 0.872 428 E CB -0.483 29.194 29.700 -0.039 0.000 0.877 428 E HN 0.242 nan 8.360 nan 0.000 0.470 429 G N 0.029 108.860 108.800 0.051 0.000 3.111 429 G HA2 0.345 4.305 3.960 -0.000 0.000 0.158 429 G HA3 0.345 4.305 3.960 -0.000 0.000 0.158 429 G C -1.284 173.672 174.900 0.094 0.000 1.161 429 G CA -0.375 44.765 45.100 0.067 0.000 1.025 429 G HN 0.068 nan 8.290 nan 0.000 0.619 430 E N -0.445 119.823 120.200 0.114 0.000 2.290 430 E HA 0.572 4.922 4.350 -0.000 0.000 0.274 430 E C -1.231 175.484 176.600 0.191 0.000 0.889 430 E CA -0.513 55.981 56.400 0.157 0.000 0.760 430 E CB 2.095 31.881 29.700 0.144 0.000 1.206 430 E HN 0.340 nan 8.360 nan 0.000 0.419 431 L N 2.015 123.374 121.223 0.227 0.000 2.334 431 L HA 0.846 5.186 4.340 -0.000 0.000 0.272 431 L C -0.253 176.775 176.870 0.263 0.000 1.020 431 L CA -0.922 54.053 54.840 0.225 0.000 0.812 431 L CB 1.753 43.939 42.059 0.211 0.000 1.264 431 L HN 0.558 nan 8.230 nan 0.000 0.439 432 A N 1.981 124.909 122.820 0.180 0.000 2.365 432 A HA 0.878 5.198 4.320 -0.000 0.000 0.318 432 A C -1.109 176.522 177.584 0.078 0.000 1.091 432 A CA -0.371 51.669 52.037 0.005 0.000 0.763 432 A CB 1.244 20.196 19.000 -0.080 0.000 1.248 432 A HN 0.601 nan 8.150 nan 0.000 0.442 433 F N -0.035 119.838 119.950 -0.130 0.000 2.626 433 F HA 0.854 5.381 4.527 -0.000 0.000 0.311 433 F C -0.519 175.238 175.800 -0.072 0.000 1.088 433 F CA -0.849 57.109 58.000 -0.070 0.000 0.949 433 F CB 1.710 40.679 39.000 -0.052 0.000 1.322 433 F HN 0.488 nan 8.300 nan 0.000 0.461 434 S N 2.523 118.294 115.700 0.119 0.000 2.736 434 S HA 0.739 5.209 4.470 -0.000 0.000 0.285 434 S C -1.410 173.290 174.600 0.166 0.000 1.163 434 S CA -0.458 57.769 58.200 0.046 0.000 1.025 434 S CB 0.658 63.858 63.200 0.000 0.000 1.030 434 S HN 0.639 nan 8.310 nan 0.000 0.486 435 I N 4.580 125.256 120.570 0.178 0.000 2.362 435 I HA 0.548 4.718 4.170 -0.000 0.000 0.289 435 I C -0.903 175.259 176.117 0.075 0.000 0.994 435 I CA -0.726 60.651 61.300 0.127 0.000 1.158 435 I CB 1.937 40.011 38.000 0.123 0.000 1.315 435 I HN 0.304 nan 8.210 nan 0.000 0.451 436 V N 6.142 126.094 119.914 0.063 0.000 2.482 436 V HA 0.443 4.563 4.120 -0.000 0.000 0.295 436 V C -0.647 175.478 176.094 0.053 0.000 1.026 436 V CA -0.762 61.569 62.300 0.052 0.000 0.856 436 V CB 1.725 33.580 31.823 0.052 0.000 1.001 436 V HN 0.674 nan 8.190 nan 0.000 0.424 437 N N 4.142 122.875 118.700 0.055 0.000 2.342 437 N HA 0.515 5.254 4.740 -0.000 0.000 0.293 437 N C -1.090 174.519 175.510 0.166 0.000 1.026 437 N CA -0.508 52.592 53.050 0.083 0.000 0.857 437 N CB 2.488 40.983 38.487 0.013 0.000 1.256 437 N HN 0.675 nan 8.380 nan 0.000 0.484 438 N N -0.465 118.330 118.700 0.157 0.000 2.240 438 N HA 0.412 5.152 4.740 -0.000 0.000 0.302 438 N C 0.422 175.981 175.510 0.082 0.000 1.106 438 N CA -0.474 52.641 53.050 0.107 0.000 0.778 438 N CB 2.397 40.911 38.487 0.044 0.000 1.431 438 N HN 0.696 nan 8.380 nan 0.000 0.479 439 G N 0.918 109.676 108.800 -0.071 0.000 2.179 439 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 439 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 439 G C 0.040 174.896 174.900 -0.074 0.000 0.977 439 G CA 0.319 45.370 45.100 -0.083 0.000 0.641 439 G HN 0.870 nan 8.290 nan 0.000 0.533 440 H N 0.136 119.208 119.070 0.004 0.000 2.771 440 H HA 0.562 5.118 4.556 -0.000 0.000 0.364 440 H C 1.237 176.567 175.328 0.003 0.000 1.133 440 H CA 0.565 56.614 56.048 0.003 0.000 1.423 440 H CB 1.118 30.880 29.762 -0.001 0.000 1.425 440 H HN 0.511 nan 8.280 nan 0.000 0.606 441 S N 0.924 116.662 115.700 0.064 0.000 2.540 441 S HA 0.241 4.711 4.470 -0.000 0.000 0.222 441 S C 1.112 175.742 174.600 0.050 0.000 1.008 441 S CA -0.113 58.094 58.200 0.011 0.000 0.939 441 S CB 0.268 63.474 63.200 0.010 0.000 0.865 441 S HN 0.851 nan 8.310 nan 0.000 0.499 442 G N 2.595 111.459 108.800 0.106 0.000 2.714 442 G HA2 0.575 4.535 3.960 -0.000 0.000 0.197 442 G HA3 0.575 4.535 3.960 -0.000 0.000 0.197 442 G C -2.380 172.588 174.900 0.113 0.000 1.449 442 G CA -1.219 43.931 45.100 0.084 0.000 1.065 442 G HN 0.395 nan 8.290 nan 0.000 0.575 443 P HA 0.372 nan 4.420 nan 0.000 0.272 443 P C -0.200 177.142 177.300 0.071 0.000 1.230 443 P CA -0.134 63.003 63.100 0.062 0.000 0.788 443 P CB 0.592 32.303 31.700 0.018 0.000 0.949 444 A N 3.194 126.045 122.820 0.052 0.000 2.567 444 A HA 0.170 4.490 4.320 -0.000 0.000 0.240 444 A C -1.592 175.899 177.584 -0.154 0.000 1.053 444 A CA -0.643 51.368 52.037 -0.043 0.000 0.755 444 A CB -1.218 17.776 19.000 -0.009 0.000 0.978 444 A HN 0.414 nan 8.150 nan 0.000 0.507 445 P HA 0.160 nan 4.420 nan 0.000 0.218 445 P C 0.593 177.811 177.300 -0.137 0.000 1.793 445 P CA -0.034 62.938 63.100 -0.213 0.000 0.941 445 P CB -0.105 31.428 31.700 -0.280 0.000 1.919 446 L N 0.200 121.364 121.223 -0.098 0.000 2.141 446 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 446 L C 2.469 179.303 176.870 -0.061 0.000 1.094 446 L CA 1.456 56.254 54.840 -0.069 0.000 0.763 446 L CB -1.008 41.019 42.059 -0.053 0.000 0.908 446 L HN 0.111 nan 8.230 nan 0.000 0.437 447 A N -0.249 122.535 122.820 -0.060 0.000 2.015 447 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 447 A C 2.349 179.896 177.584 -0.061 0.000 1.163 447 A CA 1.346 53.351 52.037 -0.054 0.000 0.646 447 A CB -0.568 18.404 19.000 -0.046 0.000 0.806 447 A HN 0.199 nan 8.150 nan 0.000 0.448 448 V N -0.316 119.557 119.914 -0.070 0.000 2.379 448 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 448 V C 2.595 178.640 176.094 -0.081 0.000 1.044 448 V CA 2.118 64.373 62.300 -0.075 0.000 1.036 448 V CB -0.803 30.974 31.823 -0.077 0.000 0.664 448 V HN 0.638 nan 8.190 nan 0.000 0.453 449 Q N -0.158 119.599 119.800 -0.072 0.000 2.061 449 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 449 Q C 2.061 178.012 176.000 -0.081 0.000 0.984 449 Q CA 1.944 57.711 55.803 -0.060 0.000 0.846 449 Q CB -0.298 28.423 28.738 -0.029 0.000 0.902 449 Q HN 0.606 nan 8.270 nan 0.000 0.421 450 D N 0.439 120.798 120.400 -0.069 0.000 2.149 450 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 450 D C 1.699 177.943 176.300 -0.095 0.000 0.990 450 D CA 1.422 55.378 54.000 -0.073 0.000 0.839 450 D CB -0.256 40.512 40.800 -0.055 0.000 0.948 450 D HN 0.306 nan 8.370 nan 0.000 0.460 451 A N 0.375 123.139 122.820 -0.094 0.000 1.929 451 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 451 A C 2.334 179.837 177.584 -0.135 0.000 1.176 451 A CA 0.682 52.660 52.037 -0.098 0.000 0.628 451 A CB -0.532 18.417 19.000 -0.084 0.000 0.816 451 A HN 0.189 nan 8.150 nan 0.000 0.444 452 I N -0.294 120.174 120.570 -0.170 0.000 2.286 452 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 452 I C 2.931 178.862 176.117 -0.310 0.000 1.104 452 I CA 0.926 62.082 61.300 -0.240 0.000 1.397 452 I CB -0.351 37.497 38.000 -0.254 0.000 1.072 452 I HN 0.311 nan 8.210 nan 0.000 0.417 453 A N 0.599 123.223 122.820 -0.327 0.000 1.902 453 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 453 A C 2.462 179.911 177.584 -0.225 0.000 1.181 453 A CA 1.807 53.618 52.037 -0.376 0.000 0.623 453 A CB -0.991 17.846 19.000 -0.272 0.000 0.818 453 A HN 0.230 nan 8.150 nan 0.000 0.443 454 V N -0.074 119.750 119.914 -0.150 0.000 2.343 454 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 454 V C 2.680 178.729 176.094 -0.075 0.000 1.051 454 V CA 2.370 64.613 62.300 -0.095 0.000 1.036 454 V CB -0.773 31.008 31.823 -0.070 0.000 0.654 454 V HN 0.653 nan 8.190 nan 0.000 0.451 455 R N 0.252 120.695 120.500 -0.094 0.000 2.096 455 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 455 R C 2.028 178.301 176.300 -0.045 0.000 1.127 455 R CA 1.674 57.733 56.100 -0.069 0.000 0.968 455 R CB -0.652 29.585 30.300 -0.105 0.000 0.861 455 R HN 0.486 nan 8.270 nan 0.000 0.440 456 L N -0.428 120.727 121.223 -0.113 0.000 2.093 456 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 456 L C 2.416 179.307 176.870 0.036 0.000 1.085 456 L CA 1.215 56.013 54.840 -0.071 0.000 0.755 456 L CB -0.538 41.391 42.059 -0.217 0.000 0.904 456 L HN 0.318 nan 8.230 nan 0.000 0.435 457 A N -0.301 122.508 122.820 -0.019 0.000 1.969 457 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 457 A C 2.148 179.796 177.584 0.106 0.000 1.169 457 A CA 1.285 53.327 52.037 0.009 0.000 0.635 457 A CB -0.292 18.652 19.000 -0.093 0.000 0.810 457 A HN 0.415 nan 8.150 nan 0.000 0.445 458 E N -1.743 118.507 120.200 0.083 0.000 2.106 458 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 458 E C 1.743 178.410 176.600 0.111 0.000 0.984 458 E CA 1.185 57.641 56.400 0.093 0.000 0.806 458 E CB -0.249 29.486 29.700 0.058 0.000 0.750 458 E HN 0.789 nan 8.360 nan 0.000 0.458 459 Y N 0.732 121.040 120.300 0.013 0.000 2.293 459 Y HA -0.092 4.458 4.550 -0.000 0.000 0.291 459 Y C 1.823 177.745 175.900 0.038 0.000 1.137 459 Y CA 1.203 59.312 58.100 0.014 0.000 1.202 459 Y CB 0.037 38.495 38.460 -0.003 0.000 0.990 459 Y HN -0.052 nan 8.280 nan 0.000 0.537 460 A N -0.560 122.325 122.820 0.108 0.000 2.302 460 A HA 0.402 4.721 4.320 -0.000 0.000 0.219 460 A C 1.687 179.299 177.584 0.046 0.000 1.243 460 A CA 0.653 52.736 52.037 0.077 0.000 0.856 460 A CB -1.369 17.754 19.000 0.205 0.000 0.893 460 A HN 0.886 nan 8.150 nan 0.000 0.491 461 G N -1.115 107.679 108.800 -0.008 0.000 2.132 461 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.234 461 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.234 461 G C 0.098 174.932 174.900 -0.109 0.000 0.989 461 G CA 0.233 45.284 45.100 -0.081 0.000 0.676 461 G HN 0.688 nan 8.290 nan 0.000 0.522 462 H N 0.333 119.395 119.070 -0.013 0.000 2.509 462 H HA 0.580 5.136 4.556 -0.000 0.000 0.359 462 H C 0.612 175.935 175.328 -0.007 0.000 1.253 462 H CA 0.684 56.729 56.048 -0.006 0.000 1.373 462 H CB 1.190 30.954 29.762 0.003 0.000 1.555 462 H HN 0.658 nan 8.280 nan 0.000 0.586 463 Q N -0.014 119.863 119.800 0.128 0.000 2.456 463 Q HA 0.643 4.983 4.340 -0.000 0.000 0.284 463 Q C -1.588 174.446 176.000 0.057 0.000 1.061 463 Q CA -1.342 54.499 55.803 0.065 0.000 0.799 463 Q CB 2.267 31.022 28.738 0.028 0.000 1.445 463 Q HN 0.609 nan 8.270 nan 0.000 0.411 464 A N 2.515 125.355 122.820 0.033 0.000 2.440 464 A HA 0.490 4.810 4.320 -0.000 0.000 0.251 464 A C -2.067 175.529 177.584 0.019 0.000 1.089 464 A CA -1.111 50.939 52.037 0.022 0.000 0.779 464 A CB -0.349 18.658 19.000 0.010 0.000 1.022 464 A HN 0.591 nan 8.150 nan 0.000 0.492 465 P HA 0.282 nan 4.420 nan 0.000 0.281 465 P C -0.528 176.778 177.300 0.010 0.000 1.286 465 P CA 0.039 63.148 63.100 0.015 0.000 0.772 465 P CB 0.806 32.516 31.700 0.016 0.000 0.862 466 E N 1.235 121.440 120.200 0.008 0.000 2.280 466 E HA 0.727 5.077 4.350 -0.000 0.000 0.261 466 E C 0.463 177.067 176.600 0.005 0.000 1.088 466 E CA -0.672 55.731 56.400 0.005 0.000 0.915 466 E CB 1.112 30.815 29.700 0.004 0.000 1.141 466 E HN 0.634 nan 8.360 nan 0.000 0.433 467 G N 0.000 108.802 108.800 0.004 0.000 5.446 467 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 467 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 467 G CA 0.000 nan 45.100 nan 0.000 0.502 467 G HN 0.000 nan 8.290 nan 0.000 0.925