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 3oma_1_C DATA FIRST_RESID 20 DATA SEQUENCE WFMSTNHKDI GVLYLFTGGL VGLISVAFTV YMRMELMAPG VQFMcAEHLE DATA SEQUENCE SGLVKGFFQS LWPSAVENcT PNGHLWNVMI TGHGILMMFF VVIPALFGGF DATA SEQUENCE GNYFMPLHIG APDMAFPRMN NLSYWLYVAG TSLAVASLFA PGGNGQLGSG DATA SEQUENCE IGWVLYPPLS TSESGYSTDL AIFAVHLSGA SSILGAINMI TTFLNMRAPG DATA SEQUENCE MTMHKVPLFA WSIFVTAWLI LLALPVLAGA ITMLLTDRNF GTTFFQPSGG DATA SEQUENCE GDPVLYQHIL WFFGHPEVYI IVLPAFGIVS HVIATFAKKP IFGYLPMVYA DATA SEQUENCE MVAIGVLGFV VWAHHMYTAG LSLTQQSYFM MATMVIAVPT GIMIFSWIAT DATA SEQUENCE MWGGSIELKT PMLWALGFLF LFTVGGVTGI VLSQASVDRY YHDTYYVVAH DATA SEQUENCE FHYVMSLGAV FGIFAGIYFW IGKMSGRQYP EWAGKLHFWM MFVGANLTFF DATA SEQUENCE PQHFLGRQGM PRRYIDYPEA FATWNFVSSL GAFLSFASFL FFLGVIFYTL DATA SEQUENCE TRGARVTANN YWNEHADTLE WTLTSPPPEH T 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 20 W HA 0.000 nan 4.660 nan 0.000 0.303 20 W C 0.000 176.391 176.519 -0.213 0.000 1.175 20 W CA 0.000 57.268 57.345 -0.129 0.000 1.226 20 W CB 0.000 29.340 29.460 -0.199 0.000 1.126 21 F N 1.657 121.602 119.950 -0.008 0.000 2.416 21 F HA 0.248 4.774 4.527 -0.001 0.000 0.296 21 F C 2.908 178.809 175.800 0.168 0.000 1.099 21 F CA 3.267 61.294 58.000 0.046 0.000 1.427 21 F CB -0.351 38.791 39.000 0.238 0.000 1.079 21 F HN 0.175 nan 8.300 nan 0.000 0.536 22 M N -0.628 119.156 119.600 0.306 0.000 2.558 22 M HA 0.139 4.618 4.480 -0.001 0.000 0.255 22 M C 1.213 177.592 176.300 0.132 0.000 1.113 22 M CA 0.828 56.275 55.300 0.244 0.000 1.097 22 M CB -1.255 31.448 32.600 0.171 0.000 1.426 22 M HN 0.056 nan 8.290 nan 0.000 0.488 23 S N 1.299 117.025 115.700 0.044 0.000 2.562 23 S HA 0.249 4.719 4.470 -0.001 0.000 0.281 23 S C 1.278 175.863 174.600 -0.025 0.000 1.333 23 S CA 0.370 58.554 58.200 -0.028 0.000 1.052 23 S CB 0.404 63.539 63.200 -0.107 0.000 0.884 23 S HN 0.836 nan 8.310 nan 0.000 0.506 24 T N 1.339 115.879 114.554 -0.024 0.000 3.085 24 T HA 0.222 4.571 4.350 -0.001 0.000 0.264 24 T C 0.461 175.132 174.700 -0.048 0.000 1.019 24 T CA -0.492 61.607 62.100 -0.002 0.000 0.910 24 T CB -0.472 68.419 68.868 0.039 0.000 1.059 24 T HN 0.640 nan 8.240 nan 0.000 0.542 25 N N 1.743 120.366 118.700 -0.130 0.000 2.470 25 N HA -0.007 4.732 4.740 -0.001 0.000 0.268 25 N C 1.346 176.694 175.510 -0.271 0.000 1.136 25 N CA -0.025 52.889 53.050 -0.226 0.000 0.961 25 N CB 0.810 39.093 38.487 -0.339 0.000 1.067 25 N HN 0.576 nan 8.380 nan 0.000 0.468 26 H N 3.709 122.645 119.070 -0.222 0.000 2.426 26 H HA -0.117 4.438 4.556 -0.001 0.000 0.298 26 H C 1.169 176.272 175.328 -0.376 0.000 1.107 26 H CA 1.582 57.483 56.048 -0.245 0.000 1.298 26 H CB 0.128 29.746 29.762 -0.240 0.000 1.377 26 H HN 0.554 nan 8.280 nan 0.000 0.519 27 K N 0.068 119.790 120.400 -1.130 0.000 2.148 27 K HA -0.097 4.222 4.320 -0.001 0.000 0.204 27 K C 1.420 177.706 176.600 -0.523 0.000 1.050 27 K CA 1.286 56.862 56.287 -1.185 0.000 0.942 27 K CB 0.139 31.811 32.500 -1.380 0.000 0.724 27 K HN 0.496 nan 8.250 nan 0.000 0.446 28 D N 0.823 120.980 120.400 -0.406 0.000 2.137 28 D HA -0.069 4.570 4.640 -0.001 0.000 0.202 28 D C 1.988 178.130 176.300 -0.263 0.000 0.970 28 D CA 0.732 54.566 54.000 -0.277 0.000 0.837 28 D CB 0.100 40.739 40.800 -0.267 0.000 0.981 28 D HN 0.033 nan 8.370 nan 0.000 0.475 29 I N 1.733 122.168 120.570 -0.226 0.000 2.099 29 I HA -0.170 3.999 4.170 -0.001 0.000 0.239 29 I C 2.733 178.836 176.117 -0.024 0.000 1.066 29 I CA 1.283 62.483 61.300 -0.168 0.000 1.324 29 I CB -1.723 36.271 38.000 -0.010 0.000 1.037 29 I HN -0.013 nan 8.210 nan 0.000 0.401 30 G N 0.927 109.741 108.800 0.023 0.000 2.556 30 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.220 30 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.220 30 G C 1.837 176.778 174.900 0.068 0.000 1.156 30 G CA 1.401 46.556 45.100 0.092 0.000 0.766 30 G HN 0.309 nan 8.290 nan 0.000 0.583 31 V N 0.630 120.571 119.914 0.045 0.000 2.548 31 V HA -0.031 4.088 4.120 -0.001 0.000 0.249 31 V C 2.879 178.986 176.094 0.022 0.000 1.055 31 V CA 1.195 63.510 62.300 0.025 0.000 1.065 31 V CB -0.209 31.662 31.823 0.079 0.000 0.681 31 V HN 0.353 nan 8.190 nan 0.000 0.462 32 L N -1.588 119.533 121.223 -0.170 0.000 2.005 32 L HA -0.190 4.150 4.340 -0.001 0.000 0.207 32 L C 2.466 179.314 176.870 -0.037 0.000 1.072 32 L CA 1.958 56.577 54.840 -0.369 0.000 0.744 32 L CB -0.664 40.706 42.059 -1.148 0.000 0.895 32 L HN 0.276 nan 8.230 nan 0.000 0.433 33 Y N -0.042 120.270 120.300 0.021 0.000 2.114 33 Y HA -0.331 4.219 4.550 -0.001 0.000 0.282 33 Y C 2.545 178.496 175.900 0.085 0.000 1.165 33 Y CA 1.421 59.627 58.100 0.177 0.000 1.148 33 Y CB -0.229 38.254 38.460 0.038 0.000 0.972 33 Y HN 0.084 nan 8.280 nan 0.000 0.504 34 L N -1.849 119.430 121.223 0.094 0.000 2.017 34 L HA -0.265 4.075 4.340 -0.001 0.000 0.208 34 L C 2.120 178.970 176.870 -0.035 0.000 1.073 34 L CA 1.321 56.097 54.840 -0.106 0.000 0.745 34 L CB -0.496 41.354 42.059 -0.350 0.000 0.894 34 L HN 0.188 nan 8.230 nan 0.000 0.432 35 F N -0.163 119.819 119.950 0.053 0.000 2.146 35 F HA -0.187 4.340 4.527 -0.001 0.000 0.298 35 F C 2.640 178.528 175.800 0.146 0.000 1.096 35 F CA 1.669 59.714 58.000 0.076 0.000 1.275 35 F CB -0.873 38.139 39.000 0.020 0.000 1.008 35 F HN 0.034 nan 8.300 nan 0.000 0.480 36 T N -0.871 113.924 114.554 0.400 0.000 2.737 36 T HA -0.125 4.225 4.350 -0.001 0.000 0.265 36 T C 2.397 177.326 174.700 0.381 0.000 1.038 36 T CA 1.373 63.698 62.100 0.376 0.000 1.144 36 T CB -1.203 67.936 68.868 0.452 0.000 0.866 36 T HN 0.386 nan 8.240 nan 0.000 0.434 37 G N 1.332 110.376 108.800 0.407 0.000 2.513 37 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.219 37 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.219 37 G C 1.748 176.794 174.900 0.243 0.000 1.160 37 G CA 1.113 46.397 45.100 0.308 0.000 0.767 37 G HN 0.587 nan 8.290 nan 0.000 0.571 38 G N 0.597 109.539 108.800 0.236 0.000 2.440 38 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.218 38 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.218 38 G C 1.754 176.857 174.900 0.338 0.000 1.154 38 G CA 1.155 46.434 45.100 0.298 0.000 0.767 38 G HN 0.476 nan 8.290 nan 0.000 0.552 39 L N 0.738 122.135 121.223 0.290 0.000 2.023 39 L HA 0.052 4.391 4.340 -0.001 0.000 0.205 39 L C 2.917 179.907 176.870 0.201 0.000 1.073 39 L CA 1.436 56.424 54.840 0.246 0.000 0.745 39 L CB -0.588 41.595 42.059 0.208 0.000 0.900 39 L HN 0.061 nan 8.230 nan 0.000 0.435 40 V N 0.708 120.732 119.914 0.183 0.000 2.282 40 V HA -0.281 3.838 4.120 -0.001 0.000 0.249 40 V C 2.700 178.857 176.094 0.105 0.000 1.057 40 V CA 1.950 64.328 62.300 0.131 0.000 1.032 40 V CB -2.008 29.930 31.823 0.192 0.000 0.645 40 V HN 0.656 nan 8.190 nan 0.000 0.447 41 G N -0.021 108.869 108.800 0.150 0.000 2.469 41 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.219 41 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.219 41 G C 1.588 176.550 174.900 0.103 0.000 1.150 41 G CA 1.378 46.538 45.100 0.101 0.000 0.763 41 G HN 0.474 nan 8.290 nan 0.000 0.561 42 L N 0.646 122.032 121.223 0.271 0.000 2.046 42 L HA 0.085 4.425 4.340 -0.001 0.000 0.208 42 L C 2.666 179.661 176.870 0.208 0.000 1.077 42 L CA 1.324 56.391 54.840 0.379 0.000 0.747 42 L CB -0.352 41.982 42.059 0.458 0.000 0.896 42 L HN 0.301 nan 8.230 nan 0.000 0.432 43 I N -1.361 119.253 120.570 0.073 0.000 2.163 43 I HA -0.283 3.886 4.170 -0.001 0.000 0.240 43 I C 2.659 178.517 176.117 -0.432 0.000 1.081 43 I CA 1.493 62.725 61.300 -0.112 0.000 1.353 43 I CB -0.641 37.277 38.000 -0.137 0.000 1.054 43 I HN 0.305 nan 8.210 nan 0.000 0.407 44 S N 0.484 115.973 115.700 -0.352 0.000 2.370 44 S HA -0.147 4.322 4.470 -0.001 0.000 0.226 44 S C 2.087 176.658 174.600 -0.048 0.000 1.033 44 S CA 1.406 59.427 58.200 -0.298 0.000 1.011 44 S CB -0.234 62.941 63.200 -0.041 0.000 0.852 44 S HN 0.229 nan 8.310 nan 0.000 0.457 45 V N 1.984 121.898 119.914 0.000 0.000 2.515 45 V HA -0.114 4.005 4.120 -0.001 0.000 0.250 45 V C 2.750 178.839 176.094 -0.009 0.000 1.058 45 V CA 1.589 63.906 62.300 0.028 0.000 1.064 45 V CB -1.273 30.571 31.823 0.034 0.000 0.675 45 V HN 0.596 nan 8.190 nan 0.000 0.461 46 A N -0.057 122.788 122.820 0.041 0.000 1.902 46 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 46 A C 2.041 179.709 177.584 0.140 0.000 1.181 46 A CA 1.725 53.764 52.037 0.003 0.000 0.623 46 A CB -0.660 18.441 19.000 0.168 0.000 0.818 46 A HN 0.432 nan 8.150 nan 0.000 0.443 47 F N 1.208 121.143 119.950 -0.026 0.000 2.091 47 F HA -0.206 4.321 4.527 -0.001 0.000 0.299 47 F C 3.036 178.752 175.800 -0.140 0.000 1.103 47 F CA 1.642 59.617 58.000 -0.041 0.000 1.228 47 F CB -1.633 37.356 39.000 -0.019 0.000 0.984 47 F HN 0.446 nan 8.300 nan 0.000 0.477 48 T N -2.186 112.339 114.554 -0.048 0.000 2.915 48 T HA -0.088 4.261 4.350 -0.001 0.000 0.269 48 T C 2.093 176.723 174.700 -0.118 0.000 1.071 48 T CA 1.300 63.273 62.100 -0.211 0.000 1.132 48 T CB -0.992 67.680 68.868 -0.327 0.000 0.878 48 T HN 0.069 nan 8.240 nan 0.000 0.479 49 V N 0.322 120.167 119.914 -0.114 0.000 2.358 49 V HA -0.087 4.032 4.120 -0.001 0.000 0.246 49 V C 2.320 178.441 176.094 0.045 0.000 1.047 49 V CA 1.714 63.971 62.300 -0.072 0.000 1.035 49 V CB -0.916 30.676 31.823 -0.385 0.000 0.658 49 V HN 0.529 nan 8.190 nan 0.000 0.452 50 Y N 0.202 120.420 120.300 -0.137 0.000 2.200 50 Y HA -0.208 4.341 4.550 -0.001 0.000 0.290 50 Y C 2.423 178.260 175.900 -0.106 0.000 1.137 50 Y CA 1.557 59.559 58.100 -0.164 0.000 1.163 50 Y CB -0.397 37.967 38.460 -0.161 0.000 0.988 50 Y HN 0.195 nan 8.280 nan 0.000 0.518 51 M N -0.642 118.879 119.600 -0.132 0.000 2.080 51 M HA -0.262 4.218 4.480 -0.001 0.000 0.260 51 M C 2.048 178.409 176.300 0.101 0.000 1.068 51 M CA 1.687 56.919 55.300 -0.113 0.000 1.109 51 M CB -0.221 32.221 32.600 -0.264 0.000 1.342 51 M HN -0.020 nan 8.290 nan 0.000 0.405 52 R N -0.198 120.301 120.500 -0.001 0.000 2.193 52 R HA 0.071 4.410 4.340 -0.001 0.000 0.213 52 R C 1.918 178.229 176.300 0.019 0.000 1.055 52 R CA 1.084 57.157 56.100 -0.044 0.000 0.995 52 R CB -0.677 29.470 30.300 -0.256 0.000 0.893 52 R HN 0.498 nan 8.270 nan 0.000 0.459 53 M N 0.153 119.768 119.600 0.026 0.000 2.086 53 M HA -0.161 4.319 4.480 -0.001 0.000 0.261 53 M C 2.030 178.224 176.300 -0.176 0.000 1.067 53 M CA 1.619 56.841 55.300 -0.129 0.000 1.116 53 M CB -0.215 32.016 32.600 -0.615 0.000 1.348 53 M HN -0.097 nan 8.290 nan 0.000 0.407 54 E N 0.803 120.888 120.200 -0.192 0.000 2.150 54 E HA -0.094 4.255 4.350 -0.001 0.000 0.193 54 E C 1.576 178.246 176.600 0.118 0.000 0.985 54 E CA 1.189 57.630 56.400 0.068 0.000 0.814 54 E CB -0.209 29.543 29.700 0.086 0.000 0.752 54 E HN 0.484 nan 8.360 nan 0.000 0.466 55 L N 0.035 121.341 121.223 0.139 0.000 2.591 55 L HA 0.164 4.503 4.340 -0.001 0.000 0.228 55 L C 2.224 179.243 176.870 0.247 0.000 1.133 55 L CA -0.022 54.944 54.840 0.209 0.000 0.880 55 L CB -0.225 41.913 42.059 0.132 0.000 1.033 55 L HN 0.243 nan 8.230 nan 0.000 0.450 56 M N 0.255 119.972 119.600 0.194 0.000 2.159 56 M HA -0.065 4.414 4.480 -0.001 0.000 0.263 56 M C 0.725 177.236 176.300 0.351 0.000 1.063 56 M CA 1.347 56.788 55.300 0.235 0.000 1.110 56 M CB 0.222 32.978 32.600 0.261 0.000 1.374 56 M HN 0.267 nan 8.290 nan 0.000 0.411 57 A N 0.476 123.468 122.820 0.287 0.000 2.449 57 A HA 0.696 5.015 4.320 -0.001 0.000 0.302 57 A C -2.655 174.921 177.584 -0.013 0.000 1.048 57 A CA -1.523 50.633 52.037 0.199 0.000 0.708 57 A CB 0.839 19.922 19.000 0.139 0.000 1.274 57 A HN 0.128 nan 8.150 nan 0.000 0.410 58 P HA 0.410 nan 4.420 nan 0.000 0.270 58 P C 0.526 177.649 177.300 -0.295 0.000 1.223 58 P CA 1.449 64.206 63.100 -0.571 0.000 0.785 58 P CB 0.599 32.097 31.700 -0.337 0.000 0.923 59 G N -0.110 108.507 108.800 -0.305 0.000 2.722 59 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.686 59 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.686 59 G C -0.903 173.909 174.900 -0.148 0.000 1.282 59 G CA -0.690 44.303 45.100 -0.179 0.000 0.817 59 G HN 0.446 nan 8.290 nan 0.000 0.605 60 V N 2.481 122.328 119.914 -0.110 0.000 2.406 60 V HA 0.468 4.587 4.120 -0.001 0.000 0.272 60 V C 0.863 176.924 176.094 -0.055 0.000 1.043 60 V CA 0.368 62.629 62.300 -0.064 0.000 0.915 60 V CB 1.399 33.188 31.823 -0.057 0.000 0.988 60 V HN 0.857 nan 8.190 nan 0.000 0.466 61 Q N 2.469 122.243 119.800 -0.043 0.000 2.280 61 Q HA 0.346 4.686 4.340 -0.001 0.000 0.244 61 Q C 0.806 176.602 176.000 -0.341 0.000 0.847 61 Q CA 0.453 56.121 55.803 -0.226 0.000 0.945 61 Q CB 0.513 29.023 28.738 -0.380 0.000 1.115 61 Q HN 0.788 nan 8.270 nan 0.000 0.513 62 F N -0.730 119.268 119.950 0.080 0.000 2.537 62 F HA 0.292 4.818 4.527 -0.001 0.000 0.277 62 F C 0.887 176.846 175.800 0.264 0.000 1.013 62 F CA 0.121 58.231 58.000 0.183 0.000 1.332 62 F CB 0.364 39.413 39.000 0.081 0.000 1.108 62 F HN -0.116 nan 8.300 nan 0.000 0.679 63 M N 1.760 121.560 119.600 0.333 0.000 3.706 63 M HA 0.150 4.629 4.480 -0.001 0.000 0.204 63 M C -1.011 175.384 176.300 0.158 0.000 1.455 63 M CA -0.180 55.289 55.300 0.281 0.000 1.659 63 M CB -0.727 32.009 32.600 0.227 0.000 1.076 63 M HN 0.088 nan 8.290 nan 0.000 0.577 64 c N 0.604 119.252 118.600 0.080 0.000 2.452 64 c HA 0.418 4.987 4.570 -0.001 0.000 0.379 64 c C 1.944 175.953 174.090 -0.135 0.000 1.275 64 c CA -0.645 55.586 56.329 -0.163 0.000 2.056 64 c CB 0.614 42.817 42.510 -0.512 0.000 2.506 64 c HN 0.861 nan 8.230 nan 0.000 0.560 65 A N 1.725 124.502 122.820 -0.071 0.000 2.070 65 A HA -0.126 4.193 4.320 -0.001 0.000 0.220 65 A C 1.864 179.421 177.584 -0.045 0.000 1.159 65 A CA 1.514 53.536 52.037 -0.024 0.000 0.656 65 A CB -0.353 18.641 19.000 -0.010 0.000 0.800 65 A HN 0.928 nan 8.150 nan 0.000 0.453 66 E N -0.308 119.812 120.200 -0.135 0.000 2.153 66 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 66 E C 1.542 178.140 176.600 -0.003 0.000 0.988 66 E CA 1.231 57.572 56.400 -0.099 0.000 0.811 66 E CB -0.313 29.303 29.700 -0.140 0.000 0.746 66 E HN 0.721 nan 8.360 nan 0.000 0.466 67 H N -0.439 118.680 119.070 0.081 0.000 2.546 67 H HA 0.049 4.604 4.556 -0.001 0.000 0.277 67 H C 1.738 177.121 175.328 0.090 0.000 1.004 67 H CA 0.583 56.688 56.048 0.095 0.000 1.231 67 H CB -0.088 29.743 29.762 0.115 0.000 1.382 67 H HN 0.197 nan 8.280 nan 0.000 0.580 68 L N 0.361 121.681 121.223 0.161 0.000 2.240 68 L HA -0.056 4.283 4.340 -0.001 0.000 0.211 68 L C 2.782 179.710 176.870 0.097 0.000 1.106 68 L CA 1.135 56.048 54.840 0.121 0.000 0.793 68 L CB -0.372 41.738 42.059 0.085 0.000 0.927 68 L HN 0.332 nan 8.230 nan 0.000 0.446 69 E N 0.147 120.400 120.200 0.088 0.000 2.204 69 E HA -0.056 4.294 4.350 -0.001 0.000 0.194 69 E C 1.338 177.989 176.600 0.085 0.000 0.989 69 E CA 0.955 57.398 56.400 0.073 0.000 0.824 69 E CB -0.390 29.346 29.700 0.060 0.000 0.756 69 E HN 0.489 nan 8.360 nan 0.000 0.477 70 S N -0.538 115.230 115.700 0.114 0.000 2.617 70 S HA 0.519 4.988 4.470 -0.001 0.000 0.259 70 S C 1.008 175.672 174.600 0.107 0.000 1.301 70 S CA -0.377 57.893 58.200 0.116 0.000 0.984 70 S CB 1.209 64.497 63.200 0.147 0.000 0.954 70 S HN 0.692 nan 8.310 nan 0.000 0.572 71 G N -0.911 107.950 108.800 0.102 0.000 2.580 71 G HA2 0.477 4.437 3.960 -0.001 0.000 0.278 71 G HA3 0.477 4.437 3.960 -0.001 0.000 0.278 71 G C 1.121 176.086 174.900 0.108 0.000 1.212 71 G CA -0.231 44.925 45.100 0.092 0.000 0.939 71 G HN 0.772 nan 8.290 nan 0.000 0.513 72 L N -0.617 120.662 121.223 0.092 0.000 2.093 72 L HA 0.050 4.389 4.340 -0.001 0.000 0.208 72 L C 2.960 179.879 176.870 0.081 0.000 1.085 72 L CA 2.395 57.296 54.840 0.101 0.000 0.755 72 L CB -1.478 40.624 42.059 0.073 0.000 0.904 72 L HN 0.460 nan 8.230 nan 0.000 0.435 73 V N 0.194 120.143 119.914 0.059 0.000 2.346 73 V HA -0.092 4.027 4.120 -0.001 0.000 0.244 73 V C 3.229 179.454 176.094 0.218 0.000 1.037 73 V CA 2.130 64.468 62.300 0.064 0.000 1.029 73 V CB -0.893 30.975 31.823 0.074 0.000 0.663 73 V HN 0.781 nan 8.190 nan 0.000 0.454 74 K N 0.841 121.369 120.400 0.214 0.000 2.025 74 K HA -0.031 4.288 4.320 -0.001 0.000 0.207 74 K C 2.290 179.037 176.600 0.245 0.000 1.049 74 K CA 1.582 58.026 56.287 0.261 0.000 0.933 74 K CB -1.643 30.954 32.500 0.162 0.000 0.714 74 K HN 0.559 nan 8.250 nan 0.000 0.438 75 G N -0.199 108.702 108.800 0.169 0.000 2.432 75 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.219 75 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.219 75 G C 1.539 176.455 174.900 0.027 0.000 1.135 75 G CA 0.917 46.085 45.100 0.113 0.000 0.767 75 G HN 0.544 nan 8.290 nan 0.000 0.550 76 F N 1.209 121.081 119.950 -0.130 0.000 2.063 76 F HA -0.170 4.356 4.527 -0.001 0.000 0.298 76 F C 2.175 177.762 175.800 -0.354 0.000 1.109 76 F CA 1.870 59.676 58.000 -0.324 0.000 1.212 76 F CB -0.228 38.447 39.000 -0.541 0.000 0.973 76 F HN 0.149 nan 8.300 nan 0.000 0.480 77 F N 0.115 120.115 119.950 0.084 0.000 2.234 77 F HA 0.005 4.531 4.527 -0.001 0.000 0.296 77 F C 2.938 178.709 175.800 -0.047 0.000 1.089 77 F CA 1.325 59.326 58.000 0.002 0.000 1.343 77 F CB -1.634 37.448 39.000 0.136 0.000 1.040 77 F HN 0.092 nan 8.300 nan 0.000 0.498 78 Q N 0.689 120.540 119.800 0.085 0.000 2.096 78 Q HA -0.211 4.128 4.340 -0.001 0.000 0.204 78 Q C 2.218 178.035 176.000 -0.305 0.000 0.982 78 Q CA 2.207 57.967 55.803 -0.072 0.000 0.850 78 Q CB -1.711 26.956 28.738 -0.120 0.000 0.901 78 Q HN 0.535 nan 8.270 nan 0.000 0.422 79 S N -0.314 115.093 115.700 -0.488 0.000 2.515 79 S HA 0.077 4.546 4.470 -0.001 0.000 0.231 79 S C 1.800 176.513 174.600 0.187 0.000 0.987 79 S CA 1.063 59.110 58.200 -0.254 0.000 0.936 79 S CB -0.159 62.973 63.200 -0.112 0.000 0.766 79 S HN 0.590 nan 8.310 nan 0.000 0.528 80 L N -0.422 120.835 121.223 0.056 0.000 2.558 80 L HA 0.292 4.631 4.340 -0.001 0.000 0.225 80 L C 0.862 178.050 176.870 0.530 0.000 1.128 80 L CA -0.045 54.921 54.840 0.211 0.000 0.868 80 L CB 0.002 42.046 42.059 -0.025 0.000 1.006 80 L HN 0.483 nan 8.230 nan 0.000 0.454 81 W N 2.864 124.309 121.300 0.242 0.000 2.529 81 W HA 0.309 4.968 4.660 -0.001 0.000 0.321 81 W C -2.361 174.135 176.519 -0.038 0.000 1.047 81 W CA -1.966 55.480 57.345 0.168 0.000 1.216 81 W CB 2.041 31.552 29.460 0.086 0.000 1.357 81 W HN -0.238 nan 8.180 nan 0.000 0.489 82 P HA 0.054 nan 4.420 nan 0.000 0.276 82 P C -0.450 176.694 177.300 -0.259 0.000 1.243 82 P CA 0.300 62.932 63.100 -0.781 0.000 0.768 82 P CB 1.203 32.454 31.700 -0.749 0.000 0.856 83 S N 1.661 117.243 115.700 -0.198 0.000 2.646 83 S HA 0.574 5.043 4.470 -0.001 0.000 0.276 83 S C 0.426 174.968 174.600 -0.097 0.000 1.222 83 S CA -0.579 57.588 58.200 -0.054 0.000 1.014 83 S CB 1.061 64.260 63.200 -0.001 0.000 0.991 83 S HN 0.631 nan 8.310 nan 0.000 0.533 84 A N 1.304 124.096 122.820 -0.046 0.000 2.445 84 A HA 0.321 4.640 4.320 -0.001 0.000 0.242 84 A C 1.387 178.937 177.584 -0.056 0.000 1.075 84 A CA -0.535 51.473 52.037 -0.049 0.000 0.777 84 A CB -0.133 18.852 19.000 -0.024 0.000 1.013 84 A HN 0.686 nan 8.150 nan 0.000 0.493 85 V N 2.176 122.055 119.914 -0.059 0.000 2.324 85 V HA -0.302 3.817 4.120 -0.001 0.000 0.250 85 V C 3.069 179.135 176.094 -0.047 0.000 1.060 85 V CA 3.034 65.299 62.300 -0.059 0.000 1.042 85 V CB -1.619 30.169 31.823 -0.058 0.000 0.650 85 V HN 1.074 nan 8.190 nan 0.000 0.450 86 E N 0.077 120.255 120.200 -0.037 0.000 2.267 86 E HA -0.239 4.110 4.350 -0.001 0.000 0.197 86 E C 1.647 178.231 176.600 -0.026 0.000 0.998 86 E CA 1.538 57.921 56.400 -0.028 0.000 0.830 86 E CB -0.572 29.116 29.700 -0.021 0.000 0.751 86 E HN 0.768 nan 8.360 nan 0.000 0.491 87 N N -1.361 117.321 118.700 -0.029 0.000 2.205 87 N HA 0.117 4.856 4.740 -0.001 0.000 0.201 87 N C -0.532 174.949 175.510 -0.049 0.000 1.128 87 N CA 0.064 53.099 53.050 -0.027 0.000 0.867 87 N CB 0.673 39.155 38.487 -0.008 0.000 0.996 87 N HN 0.400 nan 8.380 nan 0.000 0.503 88 c N 1.919 120.483 118.600 -0.060 0.000 2.335 88 c HA 0.371 4.940 4.570 -0.001 0.000 0.318 88 c C 0.152 174.201 174.090 -0.069 0.000 1.150 88 c CA -0.313 55.966 56.329 -0.083 0.000 1.466 88 c CB -0.946 41.515 42.510 -0.082 0.000 2.024 88 c HN 0.145 nan 8.230 nan 0.000 0.429 89 T N 8.762 123.273 114.554 -0.071 0.000 2.752 89 T HA 0.234 4.583 4.350 -0.001 0.000 0.295 89 T C -2.453 172.223 174.700 -0.040 0.000 0.923 89 T CA -0.236 61.834 62.100 -0.050 0.000 1.112 89 T CB 0.587 69.431 68.868 -0.041 0.000 0.884 89 T HN 0.555 nan 8.240 nan 0.000 0.525 90 P HA 0.105 nan 4.420 nan 0.000 0.263 90 P C -0.210 177.094 177.300 0.007 0.000 1.195 90 P CA -0.207 62.881 63.100 -0.020 0.000 0.762 90 P CB 0.305 31.980 31.700 -0.042 0.000 0.799 91 N N 2.500 121.226 118.700 0.043 0.000 2.816 91 N HA 0.197 4.937 4.740 -0.001 0.000 0.236 91 N C 1.478 177.063 175.510 0.125 0.000 1.076 91 N CA -0.263 52.838 53.050 0.085 0.000 0.902 91 N CB -0.094 38.458 38.487 0.107 0.000 1.149 91 N HN 0.362 nan 8.380 nan 0.000 0.506 92 G N 0.800 109.660 108.800 0.101 0.000 2.450 92 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.220 92 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.220 92 G C 1.276 176.293 174.900 0.195 0.000 1.130 92 G CA 0.953 46.127 45.100 0.122 0.000 0.760 92 G HN 0.718 nan 8.290 nan 0.000 0.557 93 H N -0.181 118.945 119.070 0.092 0.000 2.387 93 H HA 0.004 4.560 4.556 -0.001 0.000 0.299 93 H C 2.289 177.668 175.328 0.085 0.000 1.090 93 H CA 1.417 57.512 56.048 0.079 0.000 1.332 93 H CB -0.119 29.669 29.762 0.044 0.000 1.386 93 H HN 0.250 nan 8.280 nan 0.000 0.516 94 L N -0.143 121.145 121.223 0.109 0.000 2.056 94 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 94 L C 2.359 179.237 176.870 0.013 0.000 1.078 94 L CA 1.786 56.653 54.840 0.045 0.000 0.749 94 L CB -1.047 41.098 42.059 0.143 0.000 0.901 94 L HN 0.527 nan 8.230 nan 0.000 0.433 95 W N 0.723 121.998 121.300 -0.042 0.000 2.317 95 W HA -0.306 4.353 4.660 -0.001 0.000 0.318 95 W C 2.111 178.603 176.519 -0.045 0.000 1.227 95 W CA 2.054 59.377 57.345 -0.035 0.000 1.269 95 W CB -0.392 29.068 29.460 -0.001 0.000 1.155 95 W HN 0.353 nan 8.180 nan 0.000 0.484 96 N N 0.426 119.170 118.700 0.073 0.000 2.166 96 N HA -0.159 4.580 4.740 -0.001 0.000 0.186 96 N C 1.707 177.111 175.510 -0.177 0.000 1.019 96 N CA 1.846 54.885 53.050 -0.017 0.000 0.856 96 N CB -0.985 37.514 38.487 0.021 0.000 0.993 96 N HN 0.074 nan 8.380 nan 0.000 0.426 97 V N 1.407 121.145 119.914 -0.293 0.000 2.307 97 V HA -0.171 3.948 4.120 -0.001 0.000 0.245 97 V C 2.351 178.292 176.094 -0.256 0.000 1.045 97 V CA 1.183 63.310 62.300 -0.289 0.000 1.024 97 V CB -0.354 31.258 31.823 -0.353 0.000 0.651 97 V HN 0.200 nan 8.190 nan 0.000 0.449 98 M N -0.785 118.609 119.600 -0.343 0.000 2.065 98 M HA -0.182 4.298 4.480 -0.001 0.000 0.259 98 M C 2.221 178.380 176.300 -0.235 0.000 1.069 98 M CA 1.966 57.011 55.300 -0.425 0.000 1.110 98 M CB -1.323 30.976 32.600 -0.501 0.000 1.328 98 M HN 0.253 nan 8.290 nan 0.000 0.405 99 I N 0.413 120.778 120.570 -0.342 0.000 2.163 99 I HA -0.261 3.908 4.170 -0.001 0.000 0.243 99 I C 2.401 178.551 176.117 0.055 0.000 1.085 99 I CA 1.651 62.854 61.300 -0.161 0.000 1.347 99 I CB -0.790 37.054 38.000 -0.260 0.000 1.044 99 I HN 0.327 nan 8.210 nan 0.000 0.408 100 T N -0.299 114.271 114.554 0.027 0.000 2.777 100 T HA -0.086 4.263 4.350 -0.001 0.000 0.266 100 T C 1.920 176.712 174.700 0.154 0.000 1.040 100 T CA 1.331 63.493 62.100 0.104 0.000 1.141 100 T CB -0.885 68.012 68.868 0.048 0.000 0.868 100 T HN 0.532 nan 8.240 nan 0.000 0.444 101 G N 0.809 109.697 108.800 0.146 0.000 2.421 101 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.216 101 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.216 101 G C 1.319 176.442 174.900 0.372 0.000 1.171 101 G CA 1.338 46.612 45.100 0.290 0.000 0.775 101 G HN 0.608 nan 8.290 nan 0.000 0.543 102 H N 0.895 120.158 119.070 0.322 0.000 2.319 102 H HA -0.027 4.529 4.556 -0.001 0.000 0.299 102 H C 2.618 177.983 175.328 0.061 0.000 1.092 102 H CA 2.261 58.433 56.048 0.206 0.000 1.302 102 H CB -0.716 29.156 29.762 0.183 0.000 1.373 102 H HN 0.224 nan 8.280 nan 0.000 0.497 103 G N 1.079 109.787 108.800 -0.155 0.000 2.414 103 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.215 103 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.215 103 G C 1.680 176.447 174.900 -0.222 0.000 1.188 103 G CA 0.923 45.812 45.100 -0.352 0.000 0.783 103 G HN 0.390 nan 8.290 nan 0.000 0.537 104 I N 0.941 121.589 120.570 0.129 0.000 2.163 104 I HA -0.113 4.056 4.170 -0.001 0.000 0.243 104 I C 2.887 179.199 176.117 0.325 0.000 1.085 104 I CA 0.917 62.421 61.300 0.339 0.000 1.347 104 I CB -1.092 37.144 38.000 0.395 0.000 1.044 104 I HN 0.167 nan 8.210 nan 0.000 0.408 105 L N -0.382 120.999 121.223 0.263 0.000 1.989 105 L HA -0.269 4.070 4.340 -0.001 0.000 0.211 105 L C 2.797 179.731 176.870 0.106 0.000 1.071 105 L CA 1.346 56.357 54.840 0.286 0.000 0.749 105 L CB -0.566 41.569 42.059 0.127 0.000 0.890 105 L HN 0.211 nan 8.230 nan 0.000 0.431 106 M N -1.088 118.438 119.600 -0.124 0.000 2.080 106 M HA -0.215 4.264 4.480 -0.001 0.000 0.260 106 M C 2.272 178.370 176.300 -0.336 0.000 1.068 106 M CA 1.864 57.014 55.300 -0.250 0.000 1.109 106 M CB -0.915 31.426 32.600 -0.431 0.000 1.342 106 M HN 0.259 nan 8.290 nan 0.000 0.405 107 M N -1.798 117.501 119.600 -0.502 0.000 2.419 107 M HA -0.020 4.459 4.480 -0.001 0.000 0.264 107 M C 1.617 177.435 176.300 -0.803 0.000 1.082 107 M CA 1.267 56.102 55.300 -0.775 0.000 1.119 107 M CB -0.863 30.995 32.600 -1.238 0.000 1.398 107 M HN 0.142 nan 8.290 nan 0.000 0.453 108 F N -2.389 117.353 119.950 -0.346 0.000 2.711 108 F HA 0.166 4.692 4.527 -0.001 0.000 0.296 108 F C 1.092 176.531 175.800 -0.603 0.000 1.096 108 F CA 0.135 57.779 58.000 -0.593 0.000 1.280 108 F CB 0.203 38.600 39.000 -1.006 0.000 1.060 108 F HN -0.112 nan 8.300 nan 0.000 0.608 109 F N -1.712 118.386 119.950 0.246 0.000 2.781 109 F HA 0.330 4.857 4.527 -0.001 0.000 0.322 109 F C 1.007 176.975 175.800 0.280 0.000 1.108 109 F CA -0.182 58.039 58.000 0.368 0.000 1.179 109 F CB -0.069 39.133 39.000 0.336 0.000 1.072 109 F HN -0.282 nan 8.300 nan 0.000 0.545 110 V N -1.964 118.072 119.914 0.204 0.000 3.449 110 V HA 0.084 4.204 4.120 -0.001 0.000 0.208 110 V C 1.638 177.743 176.094 0.018 0.000 1.269 110 V CA 0.491 62.867 62.300 0.126 0.000 1.301 110 V CB 0.215 32.071 31.823 0.054 0.000 1.306 110 V HN -0.061 nan 8.190 nan 0.000 0.531 111 V N 0.222 120.095 119.914 -0.068 0.000 2.446 111 V HA -0.056 4.064 4.120 -0.001 0.000 0.244 111 V C 2.109 178.153 176.094 -0.084 0.000 1.039 111 V CA 1.967 64.209 62.300 -0.096 0.000 1.045 111 V CB 0.029 31.758 31.823 -0.156 0.000 0.681 111 V HN 0.420 nan 8.190 nan 0.000 0.459 112 I N 0.255 120.752 120.570 -0.123 0.000 2.202 112 I HA -0.111 4.058 4.170 -0.001 0.000 0.242 112 I C -0.309 175.764 176.117 -0.074 0.000 1.091 112 I CA 1.347 62.585 61.300 -0.103 0.000 1.368 112 I CB -1.497 36.397 38.000 -0.177 0.000 1.058 112 I HN 0.341 nan 8.210 nan 0.000 0.410 113 P HA -0.198 nan 4.420 nan 0.000 0.217 113 P C 1.406 178.649 177.300 -0.094 0.000 1.148 113 P CA 1.828 64.802 63.100 -0.209 0.000 0.828 113 P CB -0.007 31.435 31.700 -0.430 0.000 0.783 114 A N -1.226 121.569 122.820 -0.042 0.000 1.872 114 A HA -0.090 4.229 4.320 -0.001 0.000 0.214 114 A C 2.168 179.719 177.584 -0.056 0.000 1.187 114 A CA 1.303 53.304 52.037 -0.059 0.000 0.614 114 A CB -1.401 17.573 19.000 -0.044 0.000 0.826 114 A HN 0.117 nan 8.150 nan 0.000 0.442 115 L N -2.880 118.386 121.223 0.072 0.000 2.168 115 L HA 0.074 4.413 4.340 -0.001 0.000 0.203 115 L C 2.369 179.419 176.870 0.300 0.000 1.078 115 L CA 0.938 55.935 54.840 0.261 0.000 0.780 115 L CB -0.309 41.891 42.059 0.236 0.000 0.939 115 L HN 0.462 nan 8.230 nan 0.000 0.451 116 F N 0.312 120.254 119.950 -0.013 0.000 2.164 116 F HA 0.108 4.634 4.527 -0.001 0.000 0.287 116 F C 2.245 177.929 175.800 -0.194 0.000 1.086 116 F CA 1.348 59.307 58.000 -0.069 0.000 1.249 116 F CB -0.607 38.317 39.000 -0.126 0.000 1.059 116 F HN -0.071 nan 8.300 nan 0.000 0.490 117 G N -0.487 108.112 108.800 -0.336 0.000 2.408 117 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.217 117 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.217 117 G C 1.716 176.298 174.900 -0.530 0.000 1.150 117 G CA 0.746 45.239 45.100 -1.012 0.000 0.776 117 G HN 0.623 nan 8.290 nan 0.000 0.542 118 G N 0.459 109.118 108.800 -0.234 0.000 2.624 118 G HA2 0.099 4.059 3.960 -0.001 0.000 0.216 118 G HA3 0.099 4.059 3.960 -0.001 0.000 0.216 118 G C 1.403 176.242 174.900 -0.103 0.000 1.274 118 G CA 0.447 45.448 45.100 -0.166 0.000 0.856 118 G HN 0.203 nan 8.290 nan 0.000 0.555 119 F N 1.978 122.021 119.950 0.155 0.000 2.325 119 F HA 0.135 4.662 4.527 -0.001 0.000 0.299 119 F C 2.839 178.857 175.800 0.365 0.000 1.090 119 F CA 0.484 58.625 58.000 0.236 0.000 1.392 119 F CB -0.763 38.388 39.000 0.251 0.000 1.053 119 F HN 0.211 nan 8.300 nan 0.000 0.521 120 G N -0.089 108.973 108.800 0.436 0.000 2.418 120 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 120 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 120 G C 1.768 176.664 174.900 -0.006 0.000 1.158 120 G CA 0.789 45.983 45.100 0.156 0.000 0.771 120 G HN 0.229 nan 8.290 nan 0.000 0.545 121 N N -0.521 118.134 118.700 -0.074 0.000 2.142 121 N HA -0.080 4.659 4.740 -0.001 0.000 0.186 121 N C 1.863 177.387 175.510 0.023 0.000 1.023 121 N CA 0.802 53.813 53.050 -0.065 0.000 0.852 121 N CB -0.379 38.080 38.487 -0.046 0.000 0.998 121 N HN 0.374 nan 8.380 nan 0.000 0.424 122 Y N -0.203 120.041 120.300 -0.093 0.000 2.200 122 Y HA -0.096 4.454 4.550 -0.001 0.000 0.290 122 Y C 1.522 177.111 175.900 -0.518 0.000 1.137 122 Y CA 1.570 59.487 58.100 -0.305 0.000 1.163 122 Y CB -0.171 37.959 38.460 -0.549 0.000 0.988 122 Y HN -0.056 nan 8.280 nan 0.000 0.518 123 F N -2.641 117.295 119.950 -0.022 0.000 2.694 123 F HA 0.024 4.550 4.527 -0.001 0.000 0.292 123 F C 2.191 177.783 175.800 -0.347 0.000 1.121 123 F CA 0.176 57.958 58.000 -0.362 0.000 1.352 123 F CB -0.329 38.136 39.000 -0.891 0.000 1.107 123 F HN -0.044 nan 8.300 nan 0.000 0.597 124 M N 1.502 121.170 119.600 0.114 0.000 2.117 124 M HA -0.087 4.392 4.480 -0.001 0.000 0.262 124 M C -1.064 175.226 176.300 -0.017 0.000 1.065 124 M CA 2.197 57.570 55.300 0.121 0.000 1.114 124 M CB -1.538 31.102 32.600 0.066 0.000 1.361 124 M HN -0.080 nan 8.290 nan 0.000 0.408 125 P HA -0.072 nan 4.420 nan 0.000 0.216 125 P C 1.810 178.992 177.300 -0.198 0.000 1.153 125 P CA 1.119 64.030 63.100 -0.316 0.000 0.844 125 P CB -0.269 30.971 31.700 -0.766 0.000 0.787 126 L N -1.461 119.647 121.223 -0.191 0.000 2.127 126 L HA -0.210 4.129 4.340 -0.001 0.000 0.211 126 L C 2.447 179.396 176.870 0.131 0.000 1.089 126 L CA 1.701 56.513 54.840 -0.048 0.000 0.757 126 L CB -1.174 40.845 42.059 -0.068 0.000 0.899 126 L HN 0.193 nan 8.230 nan 0.000 0.434 127 H N -0.045 119.116 119.070 0.152 0.000 2.436 127 H HA -0.028 4.528 4.556 -0.001 0.000 0.294 127 H C 2.130 177.525 175.328 0.111 0.000 1.048 127 H CA 1.097 57.274 56.048 0.215 0.000 1.353 127 H CB 0.231 30.219 29.762 0.376 0.000 1.414 127 H HN 0.435 nan 8.280 nan 0.000 0.536 128 I N -2.941 117.713 120.570 0.139 0.000 3.883 128 I HA 0.365 4.535 4.170 -0.001 0.000 0.326 128 I C 1.161 177.250 176.117 -0.046 0.000 1.283 128 I CA 0.396 61.684 61.300 -0.019 0.000 1.161 128 I CB 0.479 38.381 38.000 -0.163 0.000 1.012 128 I HN 0.141 nan 8.210 nan 0.000 0.421 129 G N 1.906 110.702 108.800 -0.007 0.000 2.246 129 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.273 129 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.273 129 G C 0.206 175.070 174.900 -0.060 0.000 1.055 129 G CA 0.161 45.247 45.100 -0.023 0.000 0.851 129 G HN 0.951 nan 8.290 nan 0.000 0.500 130 A N -0.321 122.442 122.820 -0.094 0.000 2.306 130 A HA 0.867 5.186 4.320 -0.001 0.000 0.314 130 A C -0.399 177.117 177.584 -0.113 0.000 1.164 130 A CA -1.008 50.960 52.037 -0.116 0.000 0.822 130 A CB 1.228 20.136 19.000 -0.152 0.000 1.130 130 A HN 0.073 nan 8.150 nan 0.000 0.496 131 P HA 0.025 nan 4.420 nan 0.000 0.217 131 P C 0.066 177.361 177.300 -0.008 0.000 1.151 131 P CA 1.178 64.261 63.100 -0.028 0.000 0.828 131 P CB 0.375 32.066 31.700 -0.014 0.000 0.788 132 D N -3.448 116.914 120.400 -0.063 0.000 2.768 132 D HA 0.215 4.854 4.640 -0.001 0.000 0.327 132 D C -0.637 175.583 176.300 -0.134 0.000 1.302 132 D CA -0.518 53.460 54.000 -0.037 0.000 0.897 132 D CB 0.845 41.664 40.800 0.032 0.000 1.420 132 D HN -0.330 nan 8.370 nan 0.000 0.494 133 M N 1.192 120.733 119.600 -0.099 0.000 2.243 133 M HA 0.259 4.739 4.480 -0.001 0.000 0.341 133 M C 1.356 177.574 176.300 -0.136 0.000 1.130 133 M CA -0.053 55.189 55.300 -0.097 0.000 1.162 133 M CB 0.479 33.065 32.600 -0.023 0.000 1.497 133 M HN 0.600 nan 8.290 nan 0.000 0.456 134 A N 2.738 125.415 122.820 -0.238 0.000 1.958 134 A HA -0.131 4.189 4.320 -0.001 0.000 0.221 134 A C 0.578 177.723 177.584 -0.731 0.000 1.178 134 A CA 1.734 53.432 52.037 -0.565 0.000 0.642 134 A CB -0.452 18.051 19.000 -0.828 0.000 0.816 134 A HN 0.651 nan 8.150 nan 0.000 0.453 135 F N -1.763 118.198 119.950 0.018 0.000 2.550 135 F HA 0.369 4.896 4.527 -0.001 0.000 0.348 135 F C -2.081 173.741 175.800 0.037 0.000 1.219 135 F CA -2.217 55.801 58.000 0.029 0.000 1.203 135 F CB 1.158 40.180 39.000 0.035 0.000 1.436 135 F HN -0.025 nan 8.300 nan 0.000 0.541 136 P HA -0.223 nan 4.420 nan 0.000 0.217 136 P C 1.276 178.654 177.300 0.130 0.000 1.148 136 P CA 1.710 64.872 63.100 0.104 0.000 0.828 136 P CB 0.213 31.948 31.700 0.058 0.000 0.783 137 R N -0.783 119.807 120.500 0.149 0.000 2.062 137 R HA 0.018 4.358 4.340 -0.001 0.000 0.229 137 R C 2.381 178.777 176.300 0.159 0.000 1.128 137 R CA 1.230 57.416 56.100 0.143 0.000 0.960 137 R CB -1.999 28.376 30.300 0.125 0.000 0.855 137 R HN 0.164 nan 8.270 nan 0.000 0.432 138 M N 1.293 120.993 119.600 0.167 0.000 2.106 138 M HA -0.201 4.279 4.480 -0.001 0.000 0.259 138 M C 1.658 178.064 176.300 0.176 0.000 1.068 138 M CA 2.005 57.391 55.300 0.143 0.000 1.100 138 M CB -0.250 32.410 32.600 0.100 0.000 1.351 138 M HN 0.237 nan 8.290 nan 0.000 0.404 139 N N 0.860 119.673 118.700 0.189 0.000 2.149 139 N HA -0.216 4.523 4.740 -0.001 0.000 0.188 139 N C 1.310 176.948 175.510 0.213 0.000 1.019 139 N CA 1.978 55.142 53.050 0.190 0.000 0.857 139 N CB -0.526 38.050 38.487 0.148 0.000 0.997 139 N HN 0.544 nan 8.380 nan 0.000 0.426 140 N N -0.435 118.381 118.700 0.193 0.000 2.188 140 N HA -0.099 4.640 4.740 -0.001 0.000 0.184 140 N C 1.636 177.339 175.510 0.322 0.000 1.018 140 N CA 0.701 53.883 53.050 0.220 0.000 0.858 140 N CB -0.314 38.306 38.487 0.221 0.000 0.989 140 N HN 0.197 nan 8.380 nan 0.000 0.426 141 L N 0.407 121.810 121.223 0.300 0.000 2.017 141 L HA -0.023 4.316 4.340 -0.001 0.000 0.208 141 L C 2.104 179.157 176.870 0.305 0.000 1.073 141 L CA 1.561 56.591 54.840 0.315 0.000 0.745 141 L CB -1.173 41.012 42.059 0.210 0.000 0.894 141 L HN 0.107 nan 8.230 nan 0.000 0.432 142 S N -1.098 114.772 115.700 0.282 0.000 2.390 142 S HA -0.345 4.125 4.470 -0.001 0.000 0.234 142 S C 1.891 176.706 174.600 0.360 0.000 1.063 142 S CA 2.173 60.573 58.200 0.332 0.000 1.108 142 S CB -0.857 62.569 63.200 0.375 0.000 0.975 142 S HN 0.692 nan 8.310 nan 0.000 0.442 143 Y N 0.151 120.523 120.300 0.119 0.000 2.224 143 Y HA -0.150 4.399 4.550 -0.001 0.000 0.289 143 Y C 1.857 177.655 175.900 -0.170 0.000 1.146 143 Y CA 1.239 59.197 58.100 -0.237 0.000 1.182 143 Y CB -0.443 37.681 38.460 -0.561 0.000 0.983 143 Y HN 0.326 nan 8.280 nan 0.000 0.524 144 W N -0.097 121.229 121.300 0.042 0.000 2.418 144 W HA -0.092 4.567 4.660 -0.001 0.000 0.292 144 W C 2.183 178.673 176.519 -0.048 0.000 1.213 144 W CA 0.831 58.148 57.345 -0.048 0.000 1.283 144 W CB -0.321 29.175 29.460 0.061 0.000 1.119 144 W HN -0.000 nan 8.180 nan 0.000 0.542 145 L N -0.655 120.724 121.223 0.260 0.000 2.042 145 L HA -0.293 4.046 4.340 -0.001 0.000 0.210 145 L C 2.439 179.446 176.870 0.227 0.000 1.076 145 L CA 1.491 56.464 54.840 0.221 0.000 0.749 145 L CB -1.206 40.990 42.059 0.229 0.000 0.893 145 L HN 0.099 nan 8.230 nan 0.000 0.432 146 Y N 0.655 121.002 120.300 0.079 0.000 2.128 146 Y HA -0.224 4.325 4.550 -0.001 0.000 0.284 146 Y C 2.308 178.201 175.900 -0.010 0.000 1.154 146 Y CA 1.620 59.782 58.100 0.103 0.000 1.149 146 Y CB -0.643 37.866 38.460 0.080 0.000 0.976 146 Y HN -0.121 nan 8.280 nan 0.000 0.505 147 V N 0.765 120.372 119.914 -0.513 0.000 2.427 147 V HA -0.236 3.884 4.120 -0.001 0.000 0.248 147 V C 2.748 178.714 176.094 -0.212 0.000 1.051 147 V CA 1.581 63.568 62.300 -0.521 0.000 1.048 147 V CB -1.679 29.891 31.823 -0.421 0.000 0.666 147 V HN 0.557 nan 8.190 nan 0.000 0.456 148 A N 0.867 123.661 122.820 -0.042 0.000 1.855 148 A HA -0.056 4.263 4.320 -0.001 0.000 0.215 148 A C 2.469 180.042 177.584 -0.019 0.000 1.191 148 A CA 1.916 53.955 52.037 0.004 0.000 0.613 148 A CB -1.416 17.624 19.000 0.066 0.000 0.829 148 A HN 0.492 nan 8.150 nan 0.000 0.442 149 G N -0.649 108.188 108.800 0.061 0.000 2.553 149 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.218 149 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.218 149 G C 1.600 176.242 174.900 -0.430 0.000 1.195 149 G CA 1.933 47.108 45.100 0.125 0.000 0.779 149 G HN 0.443 nan 8.290 nan 0.000 0.577 150 T N 1.061 115.176 114.554 -0.731 0.000 2.759 150 T HA -0.120 4.229 4.350 -0.001 0.000 0.269 150 T C 2.795 177.194 174.700 -0.502 0.000 1.042 150 T CA 1.591 63.079 62.100 -1.020 0.000 1.140 150 T CB -0.295 68.156 68.868 -0.696 0.000 0.864 150 T HN 0.265 nan 8.240 nan 0.000 0.455 151 S N 1.090 116.619 115.700 -0.286 0.000 2.368 151 S HA 0.075 4.545 4.470 -0.001 0.000 0.224 151 S C 2.027 176.589 174.600 -0.064 0.000 1.029 151 S CA 0.763 58.886 58.200 -0.129 0.000 0.988 151 S CB -0.384 62.771 63.200 -0.075 0.000 0.838 151 S HN 0.375 nan 8.310 nan 0.000 0.462 152 L N 1.051 122.241 121.223 -0.054 0.000 2.056 152 L HA -0.096 4.243 4.340 -0.001 0.000 0.207 152 L C 2.853 179.740 176.870 0.029 0.000 1.078 152 L CA 1.160 56.022 54.840 0.037 0.000 0.749 152 L CB -0.904 41.221 42.059 0.111 0.000 0.901 152 L HN 0.317 nan 8.230 nan 0.000 0.433 153 A N 0.108 122.887 122.820 -0.068 0.000 1.892 153 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 153 A C 2.301 179.895 177.584 0.016 0.000 1.188 153 A CA 2.147 54.169 52.037 -0.026 0.000 0.631 153 A CB -0.926 17.983 19.000 -0.151 0.000 0.822 153 A HN 0.217 nan 8.150 nan 0.000 0.447 154 V N -0.339 119.572 119.914 -0.005 0.000 2.515 154 V HA -0.181 3.938 4.120 -0.001 0.000 0.250 154 V C 2.979 179.187 176.094 0.190 0.000 1.058 154 V CA 1.719 64.079 62.300 0.100 0.000 1.064 154 V CB -1.174 30.714 31.823 0.108 0.000 0.675 154 V HN 0.632 nan 8.190 nan 0.000 0.461 155 A N 0.885 123.800 122.820 0.159 0.000 1.898 155 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 155 A C 2.568 180.256 177.584 0.172 0.000 1.181 155 A CA 2.044 54.211 52.037 0.216 0.000 0.620 155 A CB -0.789 18.304 19.000 0.154 0.000 0.819 155 A HN 0.675 nan 8.150 nan 0.000 0.442 156 S N 0.270 116.028 115.700 0.097 0.000 2.419 156 S HA -0.143 4.327 4.470 -0.001 0.000 0.235 156 S C 1.782 176.358 174.600 -0.041 0.000 1.019 156 S CA 1.537 59.763 58.200 0.043 0.000 0.982 156 S CB -0.801 62.425 63.200 0.044 0.000 0.789 156 S HN 0.475 nan 8.310 nan 0.000 0.490 157 L N -1.084 120.063 121.223 -0.126 0.000 2.275 157 L HA 0.084 4.423 4.340 -0.001 0.000 0.215 157 L C 1.376 177.907 176.870 -0.564 0.000 1.119 157 L CA 1.053 55.655 54.840 -0.397 0.000 0.790 157 L CB -0.425 41.266 42.059 -0.614 0.000 0.919 157 L HN 0.330 nan 8.230 nan 0.000 0.443 158 F N -0.664 119.299 119.950 0.022 0.000 2.706 158 F HA 0.374 4.901 4.527 -0.001 0.000 0.313 158 F C 1.127 176.918 175.800 -0.015 0.000 1.096 158 F CA -0.605 57.403 58.000 0.013 0.000 1.219 158 F CB -0.108 38.906 39.000 0.023 0.000 1.051 158 F HN -0.168 nan 8.300 nan 0.000 0.568 159 A N 0.897 123.749 122.820 0.054 0.000 2.316 159 A HA 0.595 4.914 4.320 -0.001 0.000 0.284 159 A C -2.431 175.014 177.584 -0.231 0.000 1.115 159 A CA -1.646 50.318 52.037 -0.121 0.000 0.812 159 A CB -0.108 18.781 19.000 -0.186 0.000 1.064 159 A HN -0.113 nan 8.150 nan 0.000 0.489 160 P HA 0.215 nan 4.420 nan 0.000 0.261 160 P C 0.490 177.629 177.300 -0.268 0.000 1.183 160 P CA 0.957 63.890 63.100 -0.278 0.000 0.761 160 P CB 0.837 32.372 31.700 -0.275 0.000 0.785 161 G N 2.289 111.014 108.800 -0.125 0.000 3.253 161 G HA2 0.586 4.545 3.960 -0.001 0.000 0.175 161 G HA3 0.586 4.545 3.960 -0.001 0.000 0.175 161 G C -0.222 174.640 174.900 -0.064 0.000 1.098 161 G CA -0.405 44.659 45.100 -0.060 0.000 0.790 161 G HN 0.553 nan 8.290 nan 0.000 0.648 162 G N -0.539 108.254 108.800 -0.011 0.000 2.483 162 G HA2 0.376 4.336 3.960 -0.001 0.000 0.248 162 G HA3 0.376 4.336 3.960 -0.001 0.000 0.248 162 G C 0.322 174.985 174.900 -0.394 0.000 1.248 162 G CA 0.434 45.479 45.100 -0.091 0.000 0.838 162 G HN 0.799 nan 8.290 nan 0.000 0.566 163 N N -0.156 118.413 118.700 -0.219 0.000 2.747 163 N HA -0.233 4.506 4.740 -0.001 0.000 0.249 163 N C 1.414 176.808 175.510 -0.193 0.000 1.107 163 N CA 1.649 54.575 53.050 -0.206 0.000 0.707 163 N CB -1.266 37.076 38.487 -0.243 0.000 1.054 163 N HN 1.909 nan 8.380 nan 0.000 0.555 164 G N -0.591 108.118 108.800 -0.151 0.000 2.203 164 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.263 164 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.263 164 G C 0.146 174.976 174.900 -0.116 0.000 1.012 164 G CA 1.312 46.350 45.100 -0.104 0.000 0.749 164 G HN 0.616 nan 8.290 nan 0.000 0.512 165 Q N -1.481 118.197 119.800 -0.204 0.000 2.699 165 Q HA 0.782 5.121 4.340 -0.001 0.000 0.240 165 Q C 0.476 176.440 176.000 -0.060 0.000 1.033 165 Q CA -1.039 54.681 55.803 -0.137 0.000 0.938 165 Q CB 1.048 29.668 28.738 -0.196 0.000 1.312 165 Q HN 0.303 nan 8.270 nan 0.000 0.507 166 L N 0.306 121.553 121.223 0.040 0.000 2.325 166 L HA 0.686 5.026 4.340 -0.001 0.000 0.279 166 L C 0.359 177.301 176.870 0.120 0.000 1.054 166 L CA -0.389 54.479 54.840 0.046 0.000 0.804 166 L CB 1.150 43.238 42.059 0.048 0.000 1.200 166 L HN 0.853 nan 8.230 nan 0.000 0.436 167 G N 1.561 110.386 108.800 0.040 0.000 2.690 167 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.686 167 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.686 167 G C -0.741 174.200 174.900 0.068 0.000 1.277 167 G CA -0.909 44.190 45.100 -0.000 0.000 0.799 167 G HN 0.515 nan 8.290 nan 0.000 0.613 168 S N 0.256 115.949 115.700 -0.011 0.000 2.422 168 S HA 0.591 5.061 4.470 -0.001 0.000 0.298 168 S C 0.844 175.403 174.600 -0.070 0.000 1.118 168 S CA 0.242 58.447 58.200 0.007 0.000 1.083 168 S CB 1.655 64.857 63.200 0.004 0.000 0.971 168 S HN 1.732 nan 8.310 nan 0.000 0.478 169 G N 2.369 111.123 108.800 -0.076 0.000 3.964 169 G HA2 0.461 4.420 3.960 -0.001 0.000 0.289 169 G HA3 0.461 4.420 3.960 -0.001 0.000 0.289 169 G C 0.464 175.363 174.900 -0.001 0.000 1.176 169 G CA -0.567 44.455 45.100 -0.131 0.000 1.553 169 G HN 0.851 nan 8.290 nan 0.000 0.588 170 I N -1.640 118.933 120.570 0.004 0.000 4.442 170 I HA 0.531 4.700 4.170 -0.001 0.000 0.331 170 I C 0.755 176.870 176.117 -0.003 0.000 1.364 170 I CA -0.211 61.096 61.300 0.012 0.000 1.207 170 I CB 0.366 38.367 38.000 0.002 0.000 1.298 170 I HN 0.416 nan 8.210 nan 0.000 0.463 171 G N 2.236 111.050 108.800 0.023 0.000 2.731 171 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.686 171 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.686 171 G C 0.039 174.967 174.900 0.047 0.000 1.395 171 G CA -0.014 45.107 45.100 0.036 0.000 0.870 171 G HN 0.676 nan 8.290 nan 0.000 0.591 172 W N 1.065 122.350 121.300 -0.024 0.000 2.525 172 W HA 0.053 4.713 4.660 -0.001 0.000 0.259 172 W C 1.420 177.951 176.519 0.021 0.000 1.253 172 W CA 1.783 59.133 57.345 0.007 0.000 1.262 172 W CB -1.076 28.375 29.460 -0.016 0.000 1.122 172 W HN 1.092 nan 8.180 nan 0.000 0.607 173 V N -0.361 119.131 119.914 -0.703 0.000 3.647 173 V HA 0.179 4.298 4.120 -0.001 0.000 0.279 173 V C 1.280 177.276 176.094 -0.164 0.000 1.314 173 V CA 0.093 61.972 62.300 -0.701 0.000 1.125 173 V CB -1.216 30.028 31.823 -0.964 0.000 0.907 173 V HN 0.177 nan 8.190 nan 0.000 0.434 174 L N -1.225 119.930 121.223 -0.113 0.000 3.677 174 L HA -0.206 4.133 4.340 -0.001 0.000 0.464 174 L C -0.253 176.563 176.870 -0.090 0.000 1.278 174 L CA 0.114 54.912 54.840 -0.070 0.000 0.806 174 L CB -2.748 39.258 42.059 -0.089 0.000 1.610 174 L HN 0.294 nan 8.230 nan 0.000 0.867 175 Y N 1.410 121.589 120.300 -0.202 0.000 2.526 175 Y HA 0.329 4.878 4.550 -0.001 0.000 0.330 175 Y C -1.258 174.460 175.900 -0.303 0.000 1.156 175 Y CA -2.401 55.554 58.100 -0.242 0.000 1.419 175 Y CB 0.264 38.693 38.460 -0.053 0.000 1.250 175 Y HN 0.135 nan 8.280 nan 0.000 0.540 176 P HA 0.256 nan 4.420 nan 0.000 0.281 176 P C -2.342 174.927 177.300 -0.051 0.000 1.264 176 P CA -2.065 60.922 63.100 -0.188 0.000 0.824 176 P CB 1.201 32.747 31.700 -0.258 0.000 1.092 177 P HA -0.015 nan 4.420 nan 0.000 0.234 177 P C 1.521 178.832 177.300 0.018 0.000 1.167 177 P CA 0.212 63.329 63.100 0.028 0.000 0.763 177 P CB -0.149 31.582 31.700 0.051 0.000 0.835 178 L N 0.890 122.128 121.223 0.026 0.000 1.989 178 L HA -0.218 4.121 4.340 -0.001 0.000 0.211 178 L C 2.260 179.133 176.870 0.006 0.000 1.071 178 L CA 2.602 57.459 54.840 0.029 0.000 0.749 178 L CB -1.451 40.638 42.059 0.051 0.000 0.890 178 L HN 0.039 nan 8.230 nan 0.000 0.431 179 S N -2.281 113.402 115.700 -0.030 0.000 2.423 179 S HA -0.159 4.310 4.470 -0.001 0.000 0.231 179 S C 1.849 176.423 174.600 -0.044 0.000 1.014 179 S CA 1.215 59.383 58.200 -0.054 0.000 0.965 179 S CB -1.378 61.749 63.200 -0.122 0.000 0.785 179 S HN 0.683 nan 8.310 nan 0.000 0.495 180 T N 0.123 114.657 114.554 -0.033 0.000 3.043 180 T HA 0.071 4.420 4.350 -0.001 0.000 0.263 180 T C 1.865 176.568 174.700 0.004 0.000 1.094 180 T CA 0.951 63.049 62.100 -0.004 0.000 1.127 180 T CB -0.456 68.433 68.868 0.036 0.000 0.905 180 T HN 0.618 nan 8.240 nan 0.000 0.490 181 S N 0.072 115.777 115.700 0.007 0.000 2.524 181 S HA 0.205 4.674 4.470 -0.001 0.000 0.215 181 S C 0.483 175.089 174.600 0.010 0.000 0.986 181 S CA -0.435 57.772 58.200 0.011 0.000 0.911 181 S CB -0.308 62.903 63.200 0.018 0.000 0.805 181 S HN 0.510 nan 8.310 nan 0.000 0.501 182 E N 3.673 123.879 120.200 0.011 0.000 2.493 182 E HA 0.165 4.514 4.350 -0.001 0.000 0.255 182 E C 0.328 176.932 176.600 0.007 0.000 0.999 182 E CA 0.056 56.466 56.400 0.017 0.000 0.934 182 E CB 0.383 30.098 29.700 0.026 0.000 0.940 182 E HN 0.518 nan 8.360 nan 0.000 0.473 183 S N 3.316 119.015 115.700 -0.002 0.000 2.596 183 S HA 0.620 5.089 4.470 -0.001 0.000 0.260 183 S C 0.907 175.498 174.600 -0.016 0.000 1.336 183 S CA -0.424 57.771 58.200 -0.009 0.000 0.993 183 S CB 0.905 64.092 63.200 -0.020 0.000 0.923 183 S HN 1.206 nan 8.310 nan 0.000 0.567 184 G N 0.629 109.427 108.800 -0.004 0.000 2.681 184 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.220 184 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.220 184 G C -0.176 174.751 174.900 0.044 0.000 1.353 184 G CA 0.292 45.377 45.100 -0.025 0.000 0.872 184 G HN 1.884 nan 8.290 nan 0.000 0.557 185 Y N -2.374 117.938 120.300 0.020 0.000 2.500 185 Y HA 0.588 5.138 4.550 -0.001 0.000 0.246 185 Y C 2.472 178.389 175.900 0.029 0.000 1.146 185 Y CA 0.922 59.034 58.100 0.021 0.000 1.230 185 Y CB -0.378 38.105 38.460 0.040 0.000 1.214 185 Y HN 0.899 nan 8.280 nan 0.000 0.526 186 S N 1.016 116.604 115.700 -0.186 0.000 2.399 186 S HA -0.287 4.183 4.470 -0.001 0.000 0.235 186 S C 1.811 176.412 174.600 0.002 0.000 1.063 186 S CA 2.704 60.855 58.200 -0.082 0.000 1.070 186 S CB -0.733 62.407 63.200 -0.100 0.000 0.904 186 S HN 0.686 nan 8.310 nan 0.000 0.456 187 T N 1.695 116.245 114.554 -0.006 0.000 2.867 187 T HA -0.056 4.293 4.350 -0.001 0.000 0.268 187 T C 1.404 176.065 174.700 -0.066 0.000 1.057 187 T CA 1.332 63.417 62.100 -0.025 0.000 1.136 187 T CB -0.444 68.407 68.868 -0.027 0.000 0.874 187 T HN 0.538 nan 8.240 nan 0.000 0.466 188 D N 1.276 121.645 120.400 -0.052 0.000 2.144 188 D HA -0.003 4.637 4.640 -0.001 0.000 0.200 188 D C 2.149 178.294 176.300 -0.260 0.000 0.978 188 D CA 0.765 54.637 54.000 -0.213 0.000 0.833 188 D CB -0.141 40.618 40.800 -0.069 0.000 0.961 188 D HN 0.340 nan 8.370 nan 0.000 0.470 189 L N 1.001 122.274 121.223 0.083 0.000 2.093 189 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 189 L C 2.680 179.627 176.870 0.128 0.000 1.085 189 L CA 0.926 55.904 54.840 0.230 0.000 0.755 189 L CB -0.403 41.802 42.059 0.243 0.000 0.904 189 L HN -0.025 nan 8.230 nan 0.000 0.435 190 A N 0.221 123.065 122.820 0.040 0.000 1.930 190 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 190 A C 2.187 179.750 177.584 -0.035 0.000 1.175 190 A CA 1.341 53.395 52.037 0.028 0.000 0.627 190 A CB -0.558 18.451 19.000 0.017 0.000 0.815 190 A HN 0.355 nan 8.150 nan 0.000 0.443 191 I N -1.627 118.858 120.570 -0.143 0.000 2.252 191 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 191 I C 2.112 178.162 176.117 -0.111 0.000 1.102 191 I CA 1.081 62.245 61.300 -0.227 0.000 1.385 191 I CB -0.343 37.465 38.000 -0.321 0.000 1.064 191 I HN 0.268 nan 8.210 nan 0.000 0.414 192 F N 1.074 121.090 119.950 0.110 0.000 2.146 192 F HA -0.138 4.388 4.527 -0.001 0.000 0.298 192 F C 2.662 178.542 175.800 0.134 0.000 1.096 192 F CA 0.952 59.050 58.000 0.163 0.000 1.275 192 F CB -1.357 37.719 39.000 0.127 0.000 1.008 192 F HN -0.008 nan 8.300 nan 0.000 0.480 193 A N 0.082 123.071 122.820 0.282 0.000 1.927 193 A HA -0.190 4.129 4.320 -0.001 0.000 0.220 193 A C 2.427 180.176 177.584 0.276 0.000 1.185 193 A CA 2.349 54.549 52.037 0.271 0.000 0.639 193 A CB -1.302 17.836 19.000 0.230 0.000 0.820 193 A HN 0.204 nan 8.150 nan 0.000 0.451 194 V N -0.815 119.089 119.914 -0.018 0.000 2.453 194 V HA -0.190 3.930 4.120 -0.001 0.000 0.247 194 V C 2.423 178.367 176.094 -0.249 0.000 1.048 194 V CA 1.850 63.899 62.300 -0.418 0.000 1.049 194 V CB -0.988 30.397 31.823 -0.730 0.000 0.672 194 V HN 0.637 nan 8.190 nan 0.000 0.457 195 H N -0.031 119.010 119.070 -0.048 0.000 2.352 195 H HA -0.085 4.470 4.556 -0.001 0.000 0.299 195 H C 2.286 177.651 175.328 0.063 0.000 1.097 195 H CA 1.827 57.887 56.048 0.019 0.000 1.311 195 H CB -0.195 29.637 29.762 0.117 0.000 1.377 195 H HN 0.325 nan 8.280 nan 0.000 0.504 196 L N -0.486 120.890 121.223 0.255 0.000 2.056 196 L HA -0.149 4.190 4.340 -0.001 0.000 0.207 196 L C 2.831 179.845 176.870 0.240 0.000 1.078 196 L CA 1.175 56.151 54.840 0.228 0.000 0.749 196 L CB -0.473 41.724 42.059 0.229 0.000 0.901 196 L HN 0.161 nan 8.230 nan 0.000 0.433 197 S N 0.216 116.063 115.700 0.246 0.000 2.359 197 S HA -0.179 4.290 4.470 -0.001 0.000 0.224 197 S C 2.079 176.761 174.600 0.137 0.000 1.035 197 S CA 1.599 59.919 58.200 0.200 0.000 1.018 197 S CB -0.587 62.566 63.200 -0.079 0.000 0.876 197 S HN 0.524 nan 8.310 nan 0.000 0.448 198 G N 0.666 109.507 108.800 0.069 0.000 2.440 198 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.218 198 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.218 198 G C 1.669 176.631 174.900 0.103 0.000 1.154 198 G CA 1.090 46.229 45.100 0.066 0.000 0.767 198 G HN 0.723 nan 8.290 nan 0.000 0.552 199 A N 0.672 123.570 122.820 0.130 0.000 1.855 199 A HA -0.015 4.304 4.320 -0.001 0.000 0.215 199 A C 2.645 180.317 177.584 0.147 0.000 1.191 199 A CA 2.340 54.452 52.037 0.126 0.000 0.613 199 A CB -1.100 17.976 19.000 0.126 0.000 0.829 199 A HN 0.493 nan 8.150 nan 0.000 0.442 200 S N -0.208 115.609 115.700 0.194 0.000 2.368 200 S HA -0.219 4.250 4.470 -0.001 0.000 0.226 200 S C 2.253 176.982 174.600 0.216 0.000 1.044 200 S CA 2.418 60.765 58.200 0.246 0.000 1.062 200 S CB -0.552 62.845 63.200 0.330 0.000 0.931 200 S HN 0.571 nan 8.310 nan 0.000 0.440 201 S N 1.111 116.910 115.700 0.164 0.000 2.356 201 S HA 0.001 4.470 4.470 -0.001 0.000 0.223 201 S C 1.811 176.474 174.600 0.105 0.000 1.032 201 S CA 1.555 59.819 58.200 0.108 0.000 1.005 201 S CB -0.517 62.699 63.200 0.027 0.000 0.867 201 S HN 0.561 nan 8.310 nan 0.000 0.449 202 I N 1.420 122.042 120.570 0.087 0.000 2.179 202 I HA -0.191 3.978 4.170 -0.001 0.000 0.242 202 I C 2.097 178.258 176.117 0.073 0.000 1.088 202 I CA 1.092 62.429 61.300 0.063 0.000 1.357 202 I CB -0.368 37.664 38.000 0.053 0.000 1.051 202 I HN 0.232 nan 8.210 nan 0.000 0.409 203 L N 0.199 121.480 121.223 0.097 0.000 2.046 203 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 203 L C 2.720 179.670 176.870 0.133 0.000 1.077 203 L CA 1.623 56.520 54.840 0.096 0.000 0.747 203 L CB -1.333 40.794 42.059 0.113 0.000 0.896 203 L HN 0.343 nan 8.230 nan 0.000 0.432 204 G N -0.224 108.689 108.800 0.188 0.000 2.469 204 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.219 204 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.219 204 G C 1.750 176.794 174.900 0.240 0.000 1.150 204 G CA 0.972 46.203 45.100 0.219 0.000 0.763 204 G HN 0.488 nan 8.290 nan 0.000 0.561 205 A N 0.864 123.848 122.820 0.274 0.000 1.898 205 A HA 0.075 4.394 4.320 -0.001 0.000 0.216 205 A C 2.363 179.960 177.584 0.022 0.000 1.181 205 A CA 1.296 53.443 52.037 0.183 0.000 0.620 205 A CB -0.274 18.752 19.000 0.043 0.000 0.819 205 A HN 0.275 nan 8.150 nan 0.000 0.442 206 I N 0.629 121.210 120.570 0.018 0.000 2.151 206 I HA -0.256 3.913 4.170 -0.001 0.000 0.243 206 I C 2.253 178.433 176.117 0.106 0.000 1.080 206 I CA 1.748 63.052 61.300 0.007 0.000 1.339 206 I CB -1.579 36.416 38.000 -0.009 0.000 1.039 206 I HN 0.341 nan 8.210 nan 0.000 0.409 207 N N 0.643 119.434 118.700 0.151 0.000 2.080 207 N HA -0.134 4.605 4.740 -0.001 0.000 0.189 207 N C 1.845 177.418 175.510 0.104 0.000 1.036 207 N CA 1.268 54.441 53.050 0.205 0.000 0.846 207 N CB -0.144 38.449 38.487 0.176 0.000 1.015 207 N HN 0.137 nan 8.380 nan 0.000 0.423 208 M N 0.328 119.957 119.600 0.048 0.000 2.082 208 M HA -0.135 4.344 4.480 -0.001 0.000 0.258 208 M C 2.210 178.594 176.300 0.139 0.000 1.069 208 M CA 1.172 56.492 55.300 0.034 0.000 1.102 208 M CB -1.091 31.498 32.600 -0.017 0.000 1.336 208 M HN 0.147 nan 8.290 nan 0.000 0.404 209 I N -0.241 120.386 120.570 0.095 0.000 2.252 209 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 209 I C 2.311 178.579 176.117 0.252 0.000 1.102 209 I CA 1.264 62.669 61.300 0.175 0.000 1.385 209 I CB -0.535 37.305 38.000 -0.268 0.000 1.064 209 I HN 0.314 nan 8.210 nan 0.000 0.414 210 T N -0.374 114.278 114.554 0.162 0.000 2.737 210 T HA -0.135 4.214 4.350 -0.001 0.000 0.265 210 T C 1.907 176.647 174.700 0.067 0.000 1.038 210 T CA 1.892 64.078 62.100 0.144 0.000 1.144 210 T CB -0.370 68.616 68.868 0.197 0.000 0.866 210 T HN 0.319 nan 8.240 nan 0.000 0.434 211 T N 1.659 116.237 114.554 0.040 0.000 2.788 211 T HA -0.011 4.338 4.350 -0.001 0.000 0.268 211 T C 1.520 176.215 174.700 -0.008 0.000 1.044 211 T CA 0.820 62.904 62.100 -0.026 0.000 1.139 211 T CB -0.422 68.418 68.868 -0.048 0.000 0.867 211 T HN 0.358 nan 8.240 nan 0.000 0.454 212 F N 1.064 120.952 119.950 -0.103 0.000 2.206 212 F HA 0.185 4.711 4.527 -0.001 0.000 0.298 212 F C 1.765 177.412 175.800 -0.256 0.000 1.090 212 F CA 0.918 58.782 58.000 -0.226 0.000 1.323 212 F CB -0.161 38.645 39.000 -0.324 0.000 1.028 212 F HN 0.024 nan 8.300 nan 0.000 0.492 213 L N -0.258 121.018 121.223 0.088 0.000 2.418 213 L HA -0.037 4.302 4.340 -0.001 0.000 0.218 213 L C 1.069 177.922 176.870 -0.029 0.000 1.125 213 L CA 0.605 55.478 54.840 0.056 0.000 0.835 213 L CB -0.305 41.896 42.059 0.236 0.000 0.953 213 L HN 0.140 nan 8.230 nan 0.000 0.454 214 N N -1.438 117.233 118.700 -0.049 0.000 2.266 214 N HA 0.191 4.930 4.740 -0.001 0.000 0.217 214 N C 0.818 176.273 175.510 -0.090 0.000 1.211 214 N CA 0.438 53.457 53.050 -0.052 0.000 0.881 214 N CB 0.673 39.142 38.487 -0.031 0.000 1.153 214 N HN 0.137 nan 8.380 nan 0.000 0.489 215 M N 0.053 119.579 119.600 -0.124 0.000 2.603 215 M HA 0.310 4.789 4.480 -0.001 0.000 0.380 215 M C -0.405 175.807 176.300 -0.147 0.000 1.158 215 M CA -0.255 54.970 55.300 -0.125 0.000 0.921 215 M CB 1.092 33.617 32.600 -0.125 0.000 1.417 215 M HN -0.239 nan 8.290 nan 0.000 0.523 216 R N 1.725 122.112 120.500 -0.188 0.000 2.491 216 R HA 0.468 4.808 4.340 -0.001 0.000 0.283 216 R C 0.437 176.660 176.300 -0.127 0.000 1.072 216 R CA -0.201 55.780 56.100 -0.199 0.000 1.048 216 R CB 0.732 30.859 30.300 -0.288 0.000 0.983 216 R HN 0.322 nan 8.270 nan 0.000 0.450 217 A N 5.694 128.455 122.820 -0.098 0.000 2.561 217 A HA 0.114 4.434 4.320 -0.001 0.000 0.234 217 A C -1.942 175.606 177.584 -0.060 0.000 1.055 217 A CA -0.912 51.086 52.037 -0.064 0.000 0.756 217 A CB -0.332 18.642 19.000 -0.043 0.000 0.986 217 A HN 0.444 nan 8.150 nan 0.000 0.505 218 P HA 0.260 nan 4.420 nan 0.000 0.264 218 P C 1.063 178.346 177.300 -0.030 0.000 1.193 218 P CA 1.758 64.836 63.100 -0.036 0.000 0.763 218 P CB 0.581 32.265 31.700 -0.027 0.000 0.810 219 G N 2.635 111.418 108.800 -0.028 0.000 2.217 219 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.246 219 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.246 219 G C 0.258 175.143 174.900 -0.025 0.000 0.990 219 G CA 0.124 45.211 45.100 -0.021 0.000 0.627 219 G HN 0.572 nan 8.290 nan 0.000 0.522 220 M N 3.153 122.729 119.600 -0.041 0.000 3.011 220 M HA 0.577 5.057 4.480 -0.001 0.000 0.292 220 M C 0.856 177.118 176.300 -0.063 0.000 1.440 220 M CA 0.087 55.357 55.300 -0.051 0.000 1.552 220 M CB -0.336 32.217 32.600 -0.077 0.000 1.187 220 M HN 0.236 nan 8.290 nan 0.000 0.520 221 T N 2.130 116.670 114.554 -0.023 0.000 2.748 221 T HA 0.115 4.464 4.350 -0.001 0.000 0.304 221 T C 1.203 175.922 174.700 0.032 0.000 1.041 221 T CA -0.338 61.763 62.100 0.001 0.000 1.033 221 T CB 0.660 69.544 68.868 0.025 0.000 0.995 221 T HN 0.796 nan 8.240 nan 0.000 0.536 222 M N 1.532 121.180 119.600 0.080 0.000 2.108 222 M HA -0.099 4.381 4.480 -0.001 0.000 0.261 222 M C 1.997 178.553 176.300 0.426 0.000 1.066 222 M CA 1.905 57.327 55.300 0.203 0.000 1.107 222 M CB -0.525 32.223 32.600 0.246 0.000 1.356 222 M HN 0.725 nan 8.290 nan 0.000 0.406 223 H N -1.576 117.680 119.070 0.310 0.000 2.538 223 H HA 0.385 4.941 4.556 -0.001 0.000 0.286 223 H C 1.713 177.135 175.328 0.156 0.000 1.035 223 H CA 0.691 56.943 56.048 0.340 0.000 1.169 223 H CB -0.942 28.940 29.762 0.201 0.000 1.417 223 H HN 0.591 nan 8.280 nan 0.000 0.567 224 K N 0.146 120.641 120.400 0.158 0.000 2.412 224 K HA 0.310 4.630 4.320 -0.001 0.000 0.202 224 K C 0.748 177.429 176.600 0.134 0.000 1.102 224 K CA 0.373 56.679 56.287 0.033 0.000 1.027 224 K CB -0.054 32.448 32.500 0.004 0.000 0.931 224 K HN 0.294 nan 8.250 nan 0.000 0.557 225 V N 3.447 123.529 119.914 0.281 0.000 2.540 225 V HA 0.125 4.244 4.120 -0.001 0.000 0.297 225 V C -2.386 174.036 176.094 0.547 0.000 1.024 225 V CA -1.527 60.937 62.300 0.273 0.000 1.105 225 V CB 0.730 32.562 31.823 0.014 0.000 0.938 225 V HN 0.283 nan 8.190 nan 0.000 0.482 226 P HA 0.115 nan 4.420 nan 0.000 0.268 226 P C 1.004 178.758 177.300 0.757 0.000 1.208 226 P CA -0.094 63.316 63.100 0.517 0.000 0.777 226 P CB 0.584 32.470 31.700 0.311 0.000 0.875 227 L N 1.108 122.817 121.223 0.811 0.000 2.083 227 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 227 L C 2.182 179.411 176.870 0.598 0.000 1.083 227 L CA 1.401 56.638 54.840 0.661 0.000 0.752 227 L CB -0.593 41.770 42.059 0.508 0.000 0.899 227 L HN 0.364 nan 8.230 nan 0.000 0.433 228 F N 0.867 121.037 119.950 0.367 0.000 2.095 228 F HA -0.290 4.236 4.527 -0.001 0.000 0.298 228 F C 2.406 178.437 175.800 0.385 0.000 1.104 228 F CA 1.405 59.522 58.000 0.196 0.000 1.232 228 F CB -0.342 38.632 39.000 -0.043 0.000 0.987 228 F HN 0.017 nan 8.300 nan 0.000 0.475 229 A N -0.723 122.363 122.820 0.444 0.000 1.933 229 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 229 A C 2.160 179.881 177.584 0.227 0.000 1.175 229 A CA 1.526 53.750 52.037 0.312 0.000 0.628 229 A CB -1.713 17.561 19.000 0.457 0.000 0.814 229 A HN 0.654 nan 8.150 nan 0.000 0.444 230 W N 0.895 122.374 121.300 0.299 0.000 2.338 230 W HA -0.231 4.428 4.660 -0.001 0.000 0.304 230 W C 3.071 179.664 176.519 0.123 0.000 1.212 230 W CA 2.223 59.693 57.345 0.208 0.000 1.264 230 W CB -0.179 29.408 29.460 0.210 0.000 1.142 230 W HN 0.498 nan 8.180 nan 0.000 0.512 231 S N -0.078 115.816 115.700 0.323 0.000 2.382 231 S HA -0.201 4.268 4.470 -0.001 0.000 0.228 231 S C 1.743 176.390 174.600 0.078 0.000 1.027 231 S CA 1.434 59.747 58.200 0.188 0.000 0.991 231 S CB -0.674 62.624 63.200 0.163 0.000 0.823 231 S HN 0.105 nan 8.310 nan 0.000 0.469 232 I N 0.691 121.211 120.570 -0.083 0.000 2.315 232 I HA -0.008 4.162 4.170 -0.001 0.000 0.248 232 I C 2.236 178.425 176.117 0.120 0.000 1.117 232 I CA 0.931 62.211 61.300 -0.034 0.000 1.404 232 I CB -1.397 36.440 38.000 -0.271 0.000 1.071 232 I HN 0.311 nan 8.210 nan 0.000 0.419 233 F N 1.851 121.708 119.950 -0.155 0.000 2.075 233 F HA -0.179 4.347 4.527 -0.001 0.000 0.297 233 F C 2.473 178.325 175.800 0.087 0.000 1.113 233 F CA 1.519 59.357 58.000 -0.271 0.000 1.218 233 F CB -0.628 37.785 39.000 -0.978 0.000 0.984 233 F HN -0.176 nan 8.300 nan 0.000 0.472 234 V N -0.022 119.972 119.914 0.134 0.000 2.255 234 V HA -0.355 3.765 4.120 -0.001 0.000 0.247 234 V C 2.348 178.520 176.094 0.129 0.000 1.051 234 V CA 2.468 64.858 62.300 0.150 0.000 1.018 234 V CB -1.434 30.517 31.823 0.214 0.000 0.641 234 V HN 0.422 nan 8.190 nan 0.000 0.445 235 T N 0.562 115.181 114.554 0.108 0.000 2.685 235 T HA -0.293 4.056 4.350 -0.001 0.000 0.268 235 T C 1.984 176.661 174.700 -0.038 0.000 1.034 235 T CA 1.952 64.074 62.100 0.037 0.000 1.149 235 T CB -0.496 68.407 68.868 0.059 0.000 0.860 235 T HN 0.619 nan 8.240 nan 0.000 0.449 236 A N 0.036 122.867 122.820 0.018 0.000 1.930 236 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 236 A C 2.036 179.495 177.584 -0.209 0.000 1.175 236 A CA 1.090 53.085 52.037 -0.069 0.000 0.627 236 A CB -0.996 17.986 19.000 -0.030 0.000 0.815 236 A HN 0.684 nan 8.150 nan 0.000 0.443 237 W N 0.312 121.528 121.300 -0.141 0.000 2.388 237 W HA -0.070 4.589 4.660 -0.001 0.000 0.294 237 W C 2.046 178.565 176.519 0.000 0.000 1.212 237 W CA 0.940 58.215 57.345 -0.116 0.000 1.271 237 W CB -0.360 28.980 29.460 -0.201 0.000 1.126 237 W HN 0.198 nan 8.180 nan 0.000 0.535 238 L N -0.259 121.125 121.223 0.269 0.000 2.017 238 L HA -0.247 4.092 4.340 -0.001 0.000 0.208 238 L C 2.186 179.219 176.870 0.272 0.000 1.073 238 L CA 1.380 56.432 54.840 0.353 0.000 0.745 238 L CB -1.171 41.022 42.059 0.224 0.000 0.894 238 L HN 0.022 nan 8.230 nan 0.000 0.432 239 I N -0.013 120.601 120.570 0.074 0.000 2.194 239 I HA -0.346 3.823 4.170 -0.001 0.000 0.246 239 I C 2.552 178.724 176.117 0.093 0.000 1.093 239 I CA 1.460 62.775 61.300 0.024 0.000 1.355 239 I CB -0.262 37.645 38.000 -0.155 0.000 1.046 239 I HN 0.257 nan 8.210 nan 0.000 0.413 240 L N -0.333 120.931 121.223 0.068 0.000 2.083 240 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 240 L C 2.475 179.420 176.870 0.125 0.000 1.083 240 L CA 0.992 55.870 54.840 0.063 0.000 0.752 240 L CB -0.390 41.669 42.059 -0.001 0.000 0.899 240 L HN 0.323 nan 8.230 nan 0.000 0.433 241 L N -0.560 120.769 121.223 0.178 0.000 2.249 241 L HA 0.090 4.429 4.340 -0.001 0.000 0.207 241 L C 2.423 179.514 176.870 0.369 0.000 1.090 241 L CA 1.582 56.523 54.840 0.169 0.000 0.802 241 L CB -0.439 41.545 42.059 -0.126 0.000 0.947 241 L HN 0.059 nan 8.230 nan 0.000 0.453 242 A N -0.713 122.397 122.820 0.484 0.000 1.855 242 A HA -0.016 4.304 4.320 -0.001 0.000 0.213 242 A C 2.022 179.850 177.584 0.408 0.000 1.195 242 A CA 1.202 53.551 52.037 0.520 0.000 0.610 242 A CB -0.701 18.529 19.000 0.384 0.000 0.837 242 A HN 0.315 nan 8.150 nan 0.000 0.444 243 L N -0.168 121.226 121.223 0.285 0.000 2.131 243 L HA -0.078 4.262 4.340 -0.001 0.000 0.210 243 L C -0.488 176.414 176.870 0.053 0.000 1.092 243 L CA 1.934 56.851 54.840 0.129 0.000 0.759 243 L CB -2.325 39.794 42.059 0.101 0.000 0.903 243 L HN 0.220 nan 8.230 nan 0.000 0.435 244 P HA -0.104 nan 4.420 nan 0.000 0.215 244 P C 2.178 179.500 177.300 0.037 0.000 1.153 244 P CA 0.912 64.047 63.100 0.057 0.000 0.853 244 P CB 0.131 31.869 31.700 0.062 0.000 0.788 245 V N -0.335 119.628 119.914 0.081 0.000 2.295 245 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 245 V C 2.396 178.473 176.094 -0.029 0.000 1.049 245 V CA 1.630 63.957 62.300 0.045 0.000 1.024 245 V CB -1.268 30.656 31.823 0.168 0.000 0.648 245 V HN 0.061 nan 8.190 nan 0.000 0.447 246 L N 1.069 122.247 121.223 -0.075 0.000 2.042 246 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 246 L C 2.461 179.182 176.870 -0.249 0.000 1.076 246 L CA 2.427 57.084 54.840 -0.305 0.000 0.749 246 L CB -0.987 40.580 42.059 -0.821 0.000 0.893 246 L HN 0.220 nan 8.230 nan 0.000 0.432 247 A N -0.365 122.366 122.820 -0.149 0.000 1.917 247 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 247 A C 2.361 179.970 177.584 0.042 0.000 1.182 247 A CA 1.805 53.832 52.037 -0.017 0.000 0.633 247 A CB -1.702 17.372 19.000 0.123 0.000 0.819 247 A HN 0.564 nan 8.150 nan 0.000 0.448 248 G N -0.480 108.315 108.800 -0.009 0.000 2.480 248 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.216 248 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.216 248 G C 1.835 176.718 174.900 -0.029 0.000 1.200 248 G CA 1.902 46.984 45.100 -0.030 0.000 0.782 248 G HN 0.904 nan 8.290 nan 0.000 0.554 249 A N 1.337 124.128 122.820 -0.048 0.000 1.873 249 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 249 A C 2.481 180.169 177.584 0.173 0.000 1.193 249 A CA 2.133 54.185 52.037 0.026 0.000 0.629 249 A CB -0.586 18.288 19.000 -0.209 0.000 0.826 249 A HN 0.879 nan 8.150 nan 0.000 0.447 250 I N -3.659 116.926 120.570 0.025 0.000 2.761 250 I HA -0.057 4.112 4.170 -0.001 0.000 0.261 250 I C 1.905 178.055 176.117 0.054 0.000 1.198 250 I CA 1.801 63.098 61.300 -0.005 0.000 1.482 250 I CB -0.742 37.114 38.000 -0.239 0.000 1.100 250 I HN 0.101 nan 8.210 nan 0.000 0.445 251 T N 1.348 115.971 114.554 0.114 0.000 2.896 251 T HA 0.061 4.411 4.350 -0.001 0.000 0.263 251 T C 1.912 176.692 174.700 0.134 0.000 1.050 251 T CA 1.457 63.666 62.100 0.182 0.000 1.140 251 T CB -0.170 68.807 68.868 0.182 0.000 0.877 251 T HN 0.311 nan 8.240 nan 0.000 0.457 252 M N 0.626 120.263 119.600 0.062 0.000 2.213 252 M HA 0.000 4.479 4.480 -0.001 0.000 0.263 252 M C 2.023 178.464 176.300 0.236 0.000 1.062 252 M CA 1.394 56.686 55.300 -0.014 0.000 1.105 252 M CB -0.538 31.895 32.600 -0.278 0.000 1.385 252 M HN 0.216 nan 8.290 nan 0.000 0.417 253 L N -0.603 120.786 121.223 0.277 0.000 2.056 253 L HA -0.191 4.148 4.340 -0.001 0.000 0.207 253 L C 2.427 179.367 176.870 0.117 0.000 1.078 253 L CA 0.696 55.648 54.840 0.187 0.000 0.749 253 L CB -0.581 41.499 42.059 0.034 0.000 0.901 253 L HN 0.279 nan 8.230 nan 0.000 0.433 254 L N -0.128 121.163 121.223 0.113 0.000 2.093 254 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 254 L C 2.746 179.730 176.870 0.191 0.000 1.085 254 L CA 2.248 57.148 54.840 0.100 0.000 0.755 254 L CB -0.542 41.591 42.059 0.123 0.000 0.904 254 L HN 0.419 nan 8.230 nan 0.000 0.435 255 T N -4.834 109.898 114.554 0.296 0.000 2.812 255 T HA -0.133 4.216 4.350 -0.001 0.000 0.264 255 T C 1.665 176.493 174.700 0.214 0.000 1.042 255 T CA 1.138 63.475 62.100 0.394 0.000 1.140 255 T CB -0.579 68.542 68.868 0.421 0.000 0.870 255 T HN 0.206 nan 8.240 nan 0.000 0.445 256 D N 1.282 121.789 120.400 0.179 0.000 2.149 256 D HA -0.018 4.621 4.640 -0.001 0.000 0.198 256 D C 2.490 178.812 176.300 0.037 0.000 0.990 256 D CA 0.901 54.955 54.000 0.090 0.000 0.839 256 D CB -0.167 40.709 40.800 0.127 0.000 0.948 256 D HN 0.453 nan 8.370 nan 0.000 0.460 257 R N -0.261 120.253 120.500 0.023 0.000 2.090 257 R HA 0.076 4.415 4.340 -0.001 0.000 0.228 257 R C 1.353 177.588 176.300 -0.107 0.000 1.110 257 R CA 0.899 56.979 56.100 -0.033 0.000 0.973 257 R CB 0.055 30.331 30.300 -0.040 0.000 0.869 257 R HN 0.214 nan 8.270 nan 0.000 0.440 258 N N -1.110 117.470 118.700 -0.199 0.000 2.419 258 N HA 0.064 4.803 4.740 -0.001 0.000 0.216 258 N C 0.078 175.199 175.510 -0.649 0.000 1.118 258 N CA 0.489 53.230 53.050 -0.515 0.000 0.850 258 N CB 0.690 38.668 38.487 -0.848 0.000 1.292 258 N HN 0.044 nan 8.380 nan 0.000 0.467 259 F N 0.585 120.551 119.950 0.027 0.000 2.850 259 F HA 0.411 4.937 4.527 -0.001 0.000 0.329 259 F C 1.363 177.155 175.800 -0.013 0.000 1.182 259 F CA -0.572 57.437 58.000 0.015 0.000 1.270 259 F CB 0.449 39.468 39.000 0.032 0.000 0.979 259 F HN -0.028 nan 8.300 nan 0.000 0.506 260 G N 1.061 109.897 108.800 0.060 0.000 2.187 260 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.261 260 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.261 260 G C 0.511 175.385 174.900 -0.044 0.000 1.000 260 G CA 0.686 45.789 45.100 0.006 0.000 0.718 260 G HN 0.531 nan 8.290 nan 0.000 0.519 261 T N -3.448 111.072 114.554 -0.056 0.000 2.766 261 T HA 0.570 4.919 4.350 -0.001 0.000 0.295 261 T C 0.753 175.292 174.700 -0.268 0.000 1.024 261 T CA 0.711 62.655 62.100 -0.260 0.000 1.018 261 T CB 2.107 70.747 68.868 -0.380 0.000 1.002 261 T HN 0.567 nan 8.240 nan 0.000 0.532 262 T N 0.151 114.434 114.554 -0.452 0.000 3.516 262 T HA 0.292 4.642 4.350 -0.001 0.000 0.300 262 T C 0.484 175.011 174.700 -0.288 0.000 0.995 262 T CA -0.596 61.343 62.100 -0.269 0.000 0.982 262 T CB -0.798 67.963 68.868 -0.180 0.000 1.199 262 T HN 0.492 nan 8.240 nan 0.000 0.481 263 F N 0.608 120.369 119.950 -0.314 0.000 2.154 263 F HA 0.090 4.616 4.527 -0.001 0.000 0.301 263 F C 1.096 176.605 175.800 -0.485 0.000 1.087 263 F CA 1.231 58.893 58.000 -0.563 0.000 1.274 263 F CB -0.217 38.114 39.000 -1.114 0.000 1.009 263 F HN 0.380 nan 8.300 nan 0.000 0.485 264 F N -1.178 118.894 119.950 0.202 0.000 2.724 264 F HA 0.282 4.808 4.527 -0.001 0.000 0.310 264 F C 0.061 175.898 175.800 0.061 0.000 1.107 264 F CA -0.744 57.327 58.000 0.118 0.000 1.218 264 F CB -0.461 38.589 39.000 0.083 0.000 1.042 264 F HN -0.241 nan 8.300 nan 0.000 0.540 265 Q N 1.464 121.350 119.800 0.143 0.000 2.347 265 Q HA 0.316 4.655 4.340 -0.001 0.000 0.262 265 Q C -2.073 173.964 176.000 0.061 0.000 0.980 265 Q CA -2.155 53.699 55.803 0.085 0.000 0.867 265 Q CB 1.608 30.369 28.738 0.038 0.000 1.242 265 Q HN 0.039 nan 8.270 nan 0.000 0.453 266 P HA -0.172 nan 4.420 nan 0.000 0.220 266 P C 1.323 178.642 177.300 0.032 0.000 1.148 266 P CA 1.329 64.462 63.100 0.054 0.000 0.803 266 P CB 0.310 32.044 31.700 0.056 0.000 0.782 267 S N -1.079 114.636 115.700 0.024 0.000 2.419 267 S HA -0.043 4.426 4.470 -0.001 0.000 0.233 267 S C 1.950 176.549 174.600 -0.002 0.000 1.016 267 S CA 1.287 59.494 58.200 0.011 0.000 0.974 267 S CB -1.580 61.626 63.200 0.009 0.000 0.786 267 S HN 0.228 nan 8.310 nan 0.000 0.492 268 G N -0.501 108.293 108.800 -0.011 0.000 3.434 268 G HA2 0.484 4.444 3.960 -0.001 0.000 0.258 268 G HA3 0.484 4.444 3.960 -0.001 0.000 0.258 268 G C 0.897 175.778 174.900 -0.032 0.000 1.128 268 G CA -0.083 44.997 45.100 -0.034 0.000 0.792 268 G HN 1.320 nan 8.290 nan 0.000 0.539 269 G N -1.045 107.752 108.800 -0.005 0.000 2.143 269 G HA2 -0.021 3.938 3.960 -0.001 0.000 0.249 269 G HA3 -0.021 3.938 3.960 -0.001 0.000 0.249 269 G C 0.751 175.666 174.900 0.025 0.000 0.981 269 G CA 0.217 45.322 45.100 0.008 0.000 0.665 269 G HN 1.016 nan 8.290 nan 0.000 0.528 270 G N -0.881 107.938 108.800 0.032 0.000 2.547 270 G HA2 0.532 4.491 3.960 -0.001 0.000 0.291 270 G HA3 0.532 4.491 3.960 -0.001 0.000 0.291 270 G C -0.836 174.147 174.900 0.138 0.000 1.211 270 G CA 0.419 45.566 45.100 0.078 0.000 0.950 270 G HN 0.446 nan 8.290 nan 0.000 0.504 271 D N -0.799 119.737 120.400 0.227 0.000 2.736 271 D HA 0.389 5.029 4.640 -0.001 0.000 0.243 271 D C -1.922 174.564 176.300 0.310 0.000 1.304 271 D CA -1.869 52.267 54.000 0.228 0.000 0.934 271 D CB 2.305 43.221 40.800 0.194 0.000 1.382 271 D HN -0.034 nan 8.370 nan 0.000 0.571 272 P HA -0.096 nan 4.420 nan 0.000 0.220 272 P C 1.379 178.668 177.300 -0.019 0.000 1.148 272 P CA 0.445 63.598 63.100 0.089 0.000 0.803 272 P CB 0.428 32.155 31.700 0.045 0.000 0.782 273 V N -0.570 119.374 119.914 0.050 0.000 2.809 273 V HA -0.168 3.952 4.120 -0.001 0.000 0.256 273 V C 2.284 178.442 176.094 0.107 0.000 1.080 273 V CA 1.047 63.361 62.300 0.025 0.000 1.102 273 V CB -1.123 30.743 31.823 0.072 0.000 0.705 273 V HN 0.076 nan 8.190 nan 0.000 0.475 274 L N 0.109 121.458 121.223 0.209 0.000 2.012 274 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 274 L C 2.316 179.262 176.870 0.126 0.000 1.073 274 L CA 2.252 57.265 54.840 0.288 0.000 0.748 274 L CB -0.991 41.314 42.059 0.410 0.000 0.891 274 L HN 0.459 nan 8.230 nan 0.000 0.431 275 Y N 0.241 120.316 120.300 -0.376 0.000 2.193 275 Y HA -0.325 4.224 4.550 -0.001 0.000 0.285 275 Y C 2.554 178.197 175.900 -0.429 0.000 1.166 275 Y CA 2.292 59.928 58.100 -0.774 0.000 1.181 275 Y CB -0.268 37.254 38.460 -1.562 0.000 0.976 275 Y HN 0.416 nan 8.280 nan 0.000 0.520 276 Q N -1.174 118.414 119.800 -0.354 0.000 2.124 276 Q HA -0.222 4.117 4.340 -0.001 0.000 0.202 276 Q C 2.101 178.038 176.000 -0.105 0.000 0.977 276 Q CA 1.448 57.057 55.803 -0.325 0.000 0.850 276 Q CB -0.291 28.300 28.738 -0.244 0.000 0.901 276 Q HN 0.642 nan 8.270 nan 0.000 0.429 277 H N 0.286 119.376 119.070 0.033 0.000 2.321 277 H HA -0.106 4.449 4.556 -0.001 0.000 0.300 277 H C 2.180 177.437 175.328 -0.119 0.000 1.087 277 H CA 1.406 57.553 56.048 0.165 0.000 1.319 277 H CB -0.099 29.797 29.762 0.224 0.000 1.379 277 H HN 0.253 nan 8.280 nan 0.000 0.501 278 I N 0.356 120.867 120.570 -0.097 0.000 2.202 278 I HA -0.249 3.920 4.170 -0.001 0.000 0.242 278 I C 2.746 178.699 176.117 -0.273 0.000 1.091 278 I CA 0.763 61.936 61.300 -0.212 0.000 1.368 278 I CB -0.257 37.615 38.000 -0.213 0.000 1.058 278 I HN 0.072 nan 8.210 nan 0.000 0.410 279 L N 0.107 120.986 121.223 -0.574 0.000 2.042 279 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 279 L C 2.127 178.746 176.870 -0.417 0.000 1.076 279 L CA 1.927 56.371 54.840 -0.660 0.000 0.749 279 L CB -0.411 40.924 42.059 -1.207 0.000 0.893 279 L HN 0.209 nan 8.230 nan 0.000 0.432 280 W N -1.872 119.337 121.300 -0.151 0.000 2.678 280 W HA -0.063 4.596 4.660 -0.001 0.000 0.256 280 W C 2.163 178.656 176.519 -0.044 0.000 1.280 280 W CA 0.114 57.407 57.345 -0.087 0.000 1.345 280 W CB -0.220 29.254 29.460 0.024 0.000 1.118 280 W HN 0.144 nan 8.180 nan 0.000 0.629 281 F N 0.051 119.899 119.950 -0.170 0.000 2.161 281 F HA -0.238 4.289 4.527 -0.001 0.000 0.300 281 F C 2.255 178.033 175.800 -0.037 0.000 1.089 281 F CA 1.821 59.653 58.000 -0.281 0.000 1.282 281 F CB -0.547 38.162 39.000 -0.484 0.000 1.010 281 F HN -0.024 nan 8.300 nan 0.000 0.485 282 F N 0.048 120.000 119.950 0.004 0.000 2.234 282 F HA 0.142 4.668 4.527 -0.001 0.000 0.296 282 F C 2.223 177.966 175.800 -0.096 0.000 1.089 282 F CA 1.440 59.413 58.000 -0.045 0.000 1.343 282 F CB -1.026 37.944 39.000 -0.049 0.000 1.040 282 F HN -0.104 nan 8.300 nan 0.000 0.498 283 G N -0.811 107.713 108.800 -0.461 0.000 2.408 283 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.217 283 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.217 283 G C 1.372 176.114 174.900 -0.263 0.000 1.150 283 G CA 1.144 45.914 45.100 -0.550 0.000 0.776 283 G HN 0.554 nan 8.290 nan 0.000 0.542 284 H N 1.545 120.576 119.070 -0.066 0.000 2.276 284 H HA -0.002 4.553 4.556 -0.001 0.000 0.301 284 H C 0.230 175.476 175.328 -0.136 0.000 1.073 284 H CA 1.701 57.766 56.048 0.027 0.000 1.311 284 H CB -0.481 29.403 29.762 0.204 0.000 1.379 284 H HN 0.218 nan 8.280 nan 0.000 0.494 285 P HA -0.259 nan 4.420 nan 0.000 0.220 285 P C 1.206 178.311 177.300 -0.326 0.000 1.155 285 P CA 2.334 65.228 63.100 -0.343 0.000 0.880 285 P CB -0.107 31.095 31.700 -0.830 0.000 0.790 286 E N 0.016 119.871 120.200 -0.576 0.000 2.169 286 E HA -0.223 4.126 4.350 -0.001 0.000 0.202 286 E C 1.604 177.923 176.600 -0.468 0.000 1.016 286 E CA 2.204 58.244 56.400 -0.600 0.000 0.817 286 E CB -1.110 28.008 29.700 -0.971 0.000 0.736 286 E HN 0.214 nan 8.360 nan 0.000 0.462 287 V N -1.842 117.751 119.914 -0.535 0.000 2.788 287 V HA -0.057 4.063 4.120 -0.001 0.000 0.251 287 V C 1.795 177.525 176.094 -0.606 0.000 1.068 287 V CA 1.274 63.211 62.300 -0.606 0.000 1.090 287 V CB -0.989 30.398 31.823 -0.727 0.000 0.710 287 V HN 0.233 nan 8.190 nan 0.000 0.467 288 Y N 0.522 120.678 120.300 -0.240 0.000 2.395 288 Y HA 0.223 4.772 4.550 -0.001 0.000 0.293 288 Y C 2.305 178.095 175.900 -0.184 0.000 1.123 288 Y CA 1.256 59.263 58.100 -0.155 0.000 1.227 288 Y CB -0.501 37.934 38.460 -0.041 0.000 1.012 288 Y HN 0.184 nan 8.280 nan 0.000 0.552 289 I N -0.451 120.051 120.570 -0.113 0.000 2.286 289 I HA -0.302 3.868 4.170 -0.001 0.000 0.248 289 I C 1.959 177.961 176.117 -0.191 0.000 1.115 289 I CA 1.419 62.619 61.300 -0.167 0.000 1.392 289 I CB -0.312 37.554 38.000 -0.222 0.000 1.065 289 I HN 0.193 nan 8.210 nan 0.000 0.418 290 I N -0.610 119.819 120.570 -0.235 0.000 2.286 290 I HA -0.224 3.945 4.170 -0.001 0.000 0.245 290 I C 2.417 178.434 176.117 -0.168 0.000 1.104 290 I CA 1.070 62.242 61.300 -0.212 0.000 1.397 290 I CB -0.174 37.662 38.000 -0.272 0.000 1.072 290 I HN 0.025 nan 8.210 nan 0.000 0.417 291 V N 0.631 120.406 119.914 -0.232 0.000 2.878 291 V HA -0.059 4.061 4.120 -0.001 0.000 0.250 291 V C 2.170 177.962 176.094 -0.502 0.000 1.075 291 V CA 0.886 62.997 62.300 -0.316 0.000 1.096 291 V CB 0.180 31.781 31.823 -0.371 0.000 0.724 291 V HN 0.275 nan 8.190 nan 0.000 0.467 292 L N 0.517 121.522 121.223 -0.364 0.000 1.989 292 L HA -0.124 4.216 4.340 -0.001 0.000 0.211 292 L C -0.046 176.826 176.870 0.003 0.000 1.071 292 L CA 2.062 56.764 54.840 -0.229 0.000 0.749 292 L CB -1.782 40.260 42.059 -0.028 0.000 0.890 292 L HN 0.331 nan 8.230 nan 0.000 0.431 293 P HA -0.181 nan 4.420 nan 0.000 0.219 293 P C 1.262 178.727 177.300 0.275 0.000 1.146 293 P CA 1.698 64.914 63.100 0.192 0.000 0.808 293 P CB -0.024 31.824 31.700 0.248 0.000 0.779 294 A N -1.503 121.386 122.820 0.115 0.000 1.968 294 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 294 A C 1.862 179.434 177.584 -0.020 0.000 1.169 294 A CA 1.044 53.094 52.037 0.021 0.000 0.638 294 A CB -1.559 17.446 19.000 0.009 0.000 0.812 294 A HN 0.019 nan 8.150 nan 0.000 0.446 295 F N 0.643 120.561 119.950 -0.053 0.000 2.126 295 F HA -0.099 4.427 4.527 -0.001 0.000 0.299 295 F C 2.622 178.539 175.800 0.196 0.000 1.096 295 F CA 0.635 58.702 58.000 0.111 0.000 1.255 295 F CB -1.440 37.742 39.000 0.304 0.000 0.997 295 F HN 0.279 nan 8.300 nan 0.000 0.479 296 G N 0.028 109.083 108.800 0.425 0.000 2.418 296 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.217 296 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.217 296 G C 1.894 176.954 174.900 0.266 0.000 1.158 296 G CA 0.846 46.206 45.100 0.433 0.000 0.771 296 G HN 0.355 nan 8.290 nan 0.000 0.545 297 I N 0.329 120.991 120.570 0.153 0.000 2.315 297 I HA -0.131 4.039 4.170 -0.001 0.000 0.248 297 I C 2.753 178.658 176.117 -0.354 0.000 1.117 297 I CA 0.337 61.498 61.300 -0.232 0.000 1.404 297 I CB -0.156 37.663 38.000 -0.303 0.000 1.071 297 I HN 0.016 nan 8.210 nan 0.000 0.419 298 V N 0.132 119.811 119.914 -0.392 0.000 2.343 298 V HA -0.287 3.833 4.120 -0.001 0.000 0.247 298 V C 2.536 178.375 176.094 -0.426 0.000 1.051 298 V CA 2.163 64.091 62.300 -0.620 0.000 1.036 298 V CB -0.597 30.526 31.823 -1.168 0.000 0.654 298 V HN 0.385 nan 8.190 nan 0.000 0.451 299 S N -1.267 114.407 115.700 -0.044 0.000 2.353 299 S HA -0.247 4.222 4.470 -0.001 0.000 0.222 299 S C 1.818 176.535 174.600 0.195 0.000 1.035 299 S CA 1.742 60.125 58.200 0.305 0.000 1.025 299 S CB -0.519 63.018 63.200 0.562 0.000 0.902 299 S HN 0.708 nan 8.310 nan 0.000 0.440 300 H N -0.139 118.904 119.070 -0.045 0.000 2.353 300 H HA -0.043 4.512 4.556 -0.001 0.000 0.300 300 H C 2.201 177.263 175.328 -0.443 0.000 1.090 300 H CA 1.430 57.404 56.048 -0.125 0.000 1.327 300 H CB -0.130 29.610 29.762 -0.037 0.000 1.383 300 H HN 0.198 nan 8.280 nan 0.000 0.508 301 V N 1.167 120.728 119.914 -0.588 0.000 2.307 301 V HA -0.221 3.898 4.120 -0.001 0.000 0.245 301 V C 2.506 178.425 176.094 -0.292 0.000 1.045 301 V CA 1.446 63.283 62.300 -0.772 0.000 1.024 301 V CB -0.340 31.014 31.823 -0.782 0.000 0.651 301 V HN 0.339 nan 8.190 nan 0.000 0.449 302 I N 0.290 120.726 120.570 -0.224 0.000 2.252 302 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 302 I C 2.686 178.780 176.117 -0.039 0.000 1.102 302 I CA 1.352 62.589 61.300 -0.104 0.000 1.385 302 I CB -0.578 37.366 38.000 -0.094 0.000 1.064 302 I HN 0.293 nan 8.210 nan 0.000 0.414 303 A N 0.433 123.239 122.820 -0.022 0.000 1.908 303 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 303 A C 2.374 179.906 177.584 -0.087 0.000 1.181 303 A CA 2.631 54.663 52.037 -0.009 0.000 0.627 303 A CB -1.111 17.904 19.000 0.024 0.000 0.818 303 A HN 0.385 nan 8.150 nan 0.000 0.445 304 T N -0.982 113.465 114.554 -0.177 0.000 2.737 304 T HA -0.059 4.291 4.350 -0.001 0.000 0.265 304 T C 1.335 175.750 174.700 -0.474 0.000 1.038 304 T CA 1.611 63.502 62.100 -0.349 0.000 1.144 304 T CB -0.361 68.186 68.868 -0.534 0.000 0.866 304 T HN 0.433 nan 8.240 nan 0.000 0.434 305 F N 0.736 120.543 119.950 -0.238 0.000 2.743 305 F HA 0.418 4.945 4.527 -0.001 0.000 0.297 305 F C 2.186 177.883 175.800 -0.171 0.000 1.131 305 F CA -0.151 57.714 58.000 -0.224 0.000 1.426 305 F CB -0.111 38.711 39.000 -0.296 0.000 1.116 305 F HN 0.100 nan 8.300 nan 0.000 0.583 306 A N -0.080 122.720 122.820 -0.032 0.000 2.275 306 A HA 0.081 4.401 4.320 -0.001 0.000 0.212 306 A C 1.113 178.596 177.584 -0.169 0.000 1.201 306 A CA -0.115 51.882 52.037 -0.066 0.000 0.843 306 A CB -0.594 18.390 19.000 -0.026 0.000 0.873 306 A HN 0.300 nan 8.150 nan 0.000 0.492 307 K N -0.854 119.387 120.400 -0.265 0.000 3.156 307 K HA -0.214 4.105 4.320 -0.001 0.000 0.266 307 K C -0.290 175.788 176.600 -0.870 0.000 0.966 307 K CA 1.353 57.257 56.287 -0.638 0.000 0.719 307 K CB -1.382 30.805 32.500 -0.522 0.000 1.333 307 K HN 0.638 nan 8.250 nan 0.000 0.468 308 K N 0.214 120.388 120.400 -0.377 0.000 2.542 308 K HA 0.329 4.649 4.320 -0.001 0.000 0.259 308 K C -2.838 173.770 176.600 0.014 0.000 0.932 308 K CA -1.987 54.213 56.287 -0.145 0.000 0.820 308 K CB 2.084 34.550 32.500 -0.057 0.000 1.345 308 K HN -0.264 nan 8.250 nan 0.000 0.432 309 P HA 0.075 nan 4.420 nan 0.000 0.275 309 P C -0.226 177.147 177.300 0.122 0.000 1.228 309 P CA -0.460 62.695 63.100 0.091 0.000 0.786 309 P CB 0.542 32.285 31.700 0.072 0.000 0.927 310 I N 3.181 123.837 120.570 0.144 0.000 2.826 310 I HA -0.076 4.094 4.170 -0.001 0.000 0.295 310 I C 0.092 176.337 176.117 0.214 0.000 1.213 310 I CA 0.111 61.536 61.300 0.209 0.000 1.436 310 I CB -0.618 37.528 38.000 0.242 0.000 1.348 310 I HN 0.165 nan 8.210 nan 0.000 0.570 311 F N 8.172 128.178 119.950 0.093 0.000 2.495 311 F HA 0.452 4.978 4.527 -0.001 0.000 0.365 311 F C 1.228 177.047 175.800 0.032 0.000 1.090 311 F CA 0.209 58.246 58.000 0.062 0.000 1.235 311 F CB 0.333 39.369 39.000 0.061 0.000 1.119 311 F HN 0.758 nan 8.300 nan 0.000 0.562 312 G N 5.910 114.525 108.800 -0.309 0.000 2.314 312 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.292 312 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.292 312 G C 0.530 175.410 174.900 -0.033 0.000 1.059 312 G CA 0.567 45.565 45.100 -0.169 0.000 0.982 312 G HN 1.059 nan 8.290 nan 0.000 0.505 313 Y N -0.271 119.956 120.300 -0.120 0.000 2.139 313 Y HA -0.173 4.377 4.550 -0.001 0.000 0.282 313 Y C 2.391 178.176 175.900 -0.193 0.000 1.179 313 Y CA 2.645 60.685 58.100 -0.099 0.000 1.161 313 Y CB -0.173 38.248 38.460 -0.064 0.000 0.970 313 Y HN 0.405 nan 8.280 nan 0.000 0.511 314 L N 0.345 121.466 121.223 -0.170 0.000 2.068 314 L HA 0.049 4.389 4.340 -0.001 0.000 0.204 314 L C -0.693 175.836 176.870 -0.569 0.000 1.076 314 L CA 1.466 56.038 54.840 -0.447 0.000 0.753 314 L CB -1.645 40.257 42.059 -0.263 0.000 0.910 314 L HN 0.060 nan 8.230 nan 0.000 0.439 315 P HA -0.194 nan 4.420 nan 0.000 0.216 315 P C 2.013 179.207 177.300 -0.177 0.000 1.150 315 P CA 1.537 64.561 63.100 -0.127 0.000 0.843 315 P CB -0.127 31.552 31.700 -0.035 0.000 0.787 316 M N -1.222 118.227 119.600 -0.252 0.000 2.080 316 M HA -0.124 4.355 4.480 -0.001 0.000 0.260 316 M C 2.058 178.176 176.300 -0.303 0.000 1.068 316 M CA 1.657 56.792 55.300 -0.276 0.000 1.109 316 M CB -1.545 30.891 32.600 -0.273 0.000 1.342 316 M HN -0.141 nan 8.290 nan 0.000 0.405 317 V N -0.549 119.044 119.914 -0.535 0.000 2.287 317 V HA -0.284 3.835 4.120 -0.001 0.000 0.248 317 V C 2.309 178.219 176.094 -0.307 0.000 1.053 317 V CA 1.729 63.642 62.300 -0.645 0.000 1.027 317 V CB -0.995 30.092 31.823 -1.226 0.000 0.646 317 V HN 0.269 nan 8.190 nan 0.000 0.447 318 Y N 0.559 120.691 120.300 -0.280 0.000 2.242 318 Y HA -0.063 4.486 4.550 -0.001 0.000 0.291 318 Y C 2.520 178.356 175.900 -0.106 0.000 1.137 318 Y CA 0.544 58.542 58.100 -0.170 0.000 1.181 318 Y CB -1.368 37.013 38.460 -0.132 0.000 0.989 318 Y HN 0.209 nan 8.280 nan 0.000 0.527 319 A N -0.087 122.762 122.820 0.049 0.000 1.902 319 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 319 A C 2.351 179.970 177.584 0.058 0.000 1.181 319 A CA 1.863 53.914 52.037 0.024 0.000 0.623 319 A CB -0.781 18.195 19.000 -0.041 0.000 0.818 319 A HN 0.401 nan 8.150 nan 0.000 0.443 320 M N -0.693 118.947 119.600 0.067 0.000 2.213 320 M HA -0.122 4.357 4.480 -0.001 0.000 0.263 320 M C 2.063 178.429 176.300 0.110 0.000 1.062 320 M CA 1.208 56.591 55.300 0.137 0.000 1.105 320 M CB -0.433 32.265 32.600 0.163 0.000 1.385 320 M HN 0.272 nan 8.290 nan 0.000 0.417 321 V N 0.255 120.220 119.914 0.084 0.000 2.379 321 V HA -0.198 3.922 4.120 -0.001 0.000 0.245 321 V C 2.634 178.750 176.094 0.036 0.000 1.044 321 V CA 1.918 64.260 62.300 0.071 0.000 1.036 321 V CB -1.101 30.766 31.823 0.074 0.000 0.664 321 V HN 0.488 nan 8.190 nan 0.000 0.453 322 A N 0.301 123.135 122.820 0.025 0.000 1.877 322 A HA -0.143 4.176 4.320 -0.001 0.000 0.216 322 A C 2.158 179.731 177.584 -0.020 0.000 1.186 322 A CA 1.658 53.694 52.037 -0.003 0.000 0.620 322 A CB -0.480 18.518 19.000 -0.005 0.000 0.822 322 A HN 0.391 nan 8.150 nan 0.000 0.443 323 I N 0.128 120.692 120.570 -0.009 0.000 2.118 323 I HA -0.259 3.910 4.170 -0.001 0.000 0.241 323 I C 2.734 178.754 176.117 -0.162 0.000 1.070 323 I CA 1.788 63.034 61.300 -0.091 0.000 1.327 323 I CB -1.996 36.027 38.000 0.038 0.000 1.034 323 I HN 0.376 nan 8.210 nan 0.000 0.405 324 G N 0.913 109.702 108.800 -0.020 0.000 2.476 324 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.218 324 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.218 324 G C 1.808 176.779 174.900 0.119 0.000 1.164 324 G CA 1.325 46.458 45.100 0.055 0.000 0.768 324 G HN 0.306 nan 8.290 nan 0.000 0.560 325 V N 0.771 120.732 119.914 0.079 0.000 2.323 325 V HA -0.040 4.080 4.120 -0.001 0.000 0.244 325 V C 2.883 179.042 176.094 0.108 0.000 1.041 325 V CA 1.280 63.647 62.300 0.112 0.000 1.025 325 V CB -0.480 31.363 31.823 0.032 0.000 0.656 325 V HN 0.316 nan 8.190 nan 0.000 0.451 326 L N 0.882 122.103 121.223 -0.003 0.000 2.083 326 L HA -0.073 4.266 4.340 -0.001 0.000 0.209 326 L C 2.629 179.425 176.870 -0.124 0.000 1.083 326 L CA 1.572 56.382 54.840 -0.051 0.000 0.752 326 L CB -1.134 40.866 42.059 -0.099 0.000 0.899 326 L HN 0.485 nan 8.230 nan 0.000 0.433 327 G N -0.629 108.020 108.800 -0.251 0.000 2.516 327 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.221 327 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.221 327 G C 1.206 175.941 174.900 -0.275 0.000 1.107 327 G CA 0.580 45.477 45.100 -0.339 0.000 0.747 327 G HN 0.310 nan 8.290 nan 0.000 0.567 328 F N -0.479 119.426 119.950 -0.075 0.000 2.749 328 F HA 0.196 4.722 4.527 -0.001 0.000 0.300 328 F C 1.829 177.699 175.800 0.117 0.000 1.103 328 F CA 0.158 58.081 58.000 -0.129 0.000 1.342 328 F CB 0.960 39.872 39.000 -0.146 0.000 1.098 328 F HN 0.080 nan 8.300 nan 0.000 0.586 329 V N -1.977 118.133 119.914 0.327 0.000 3.085 329 V HA 0.274 4.393 4.120 -0.001 0.000 0.345 329 V C 0.469 176.725 176.094 0.270 0.000 1.397 329 V CA 0.405 62.965 62.300 0.433 0.000 1.165 329 V CB -0.247 31.755 31.823 0.298 0.000 1.153 329 V HN 0.043 nan 8.190 nan 0.000 0.495 330 V N -3.749 116.304 119.914 0.233 0.000 3.337 330 V HA 0.305 4.424 4.120 -0.001 0.000 0.307 330 V C 1.558 177.503 176.094 -0.249 0.000 1.505 330 V CA 0.229 62.551 62.300 0.037 0.000 1.072 330 V CB -0.587 31.154 31.823 -0.136 0.000 0.929 330 V HN 0.704 nan 8.190 nan 0.000 0.455 331 W N 1.882 123.135 121.300 -0.078 0.000 2.350 331 W HA 0.104 4.764 4.660 -0.001 0.000 0.289 331 W C 1.838 178.057 176.519 -0.500 0.000 1.215 331 W CA 1.709 58.933 57.345 -0.202 0.000 1.236 331 W CB -0.848 28.661 29.460 0.082 0.000 1.130 331 W HN 0.241 nan 8.180 nan 0.000 0.541 332 A N 1.824 123.767 122.820 -1.462 0.000 2.239 332 A HA -0.141 4.178 4.320 -0.001 0.000 0.209 332 A C 1.797 178.704 177.584 -1.129 0.000 1.171 332 A CA 1.097 52.283 52.037 -1.417 0.000 0.768 332 A CB -1.804 15.905 19.000 -2.152 0.000 0.790 332 A HN 0.784 nan 8.150 nan 0.000 0.478 333 H N -2.713 115.785 119.070 -0.953 0.000 2.567 333 H HA -0.023 4.532 4.556 -0.001 0.000 0.276 333 H C 0.735 175.326 175.328 -1.229 0.000 1.016 333 H CA 0.960 56.201 56.048 -1.345 0.000 1.186 333 H CB -0.337 28.988 29.762 -0.728 0.000 1.351 333 H HN 0.663 nan 8.280 nan 0.000 0.605 334 H N 0.399 119.015 119.070 -0.755 0.000 2.539 334 H HA 0.208 4.763 4.556 -0.001 0.000 0.269 334 H C 0.656 175.568 175.328 -0.694 0.000 0.980 334 H CA 0.296 55.833 56.048 -0.852 0.000 1.152 334 H CB 0.534 29.203 29.762 -1.822 0.000 1.407 334 H HN 0.491 nan 8.280 nan 0.000 0.564 335 M N -0.634 118.614 119.600 -0.588 0.000 2.687 335 M HA 0.089 4.568 4.480 -0.001 0.000 0.413 335 M C 0.339 176.474 176.300 -0.275 0.000 1.216 335 M CA -0.195 54.874 55.300 -0.385 0.000 0.871 335 M CB 0.639 33.022 32.600 -0.362 0.000 1.481 335 M HN -0.050 nan 8.290 nan 0.000 0.521 336 Y N 1.033 121.162 120.300 -0.286 0.000 2.256 336 Y HA -0.144 4.406 4.550 -0.001 0.000 0.288 336 Y C 2.811 178.610 175.900 -0.169 0.000 1.155 336 Y CA 1.855 59.835 58.100 -0.200 0.000 1.203 336 Y CB -0.861 37.499 38.460 -0.166 0.000 0.980 336 Y HN 0.380 nan 8.280 nan 0.000 0.530 337 T N -3.914 110.588 114.554 -0.086 0.000 3.105 337 T HA 0.463 4.813 4.350 -0.001 0.000 0.253 337 T C 1.504 176.188 174.700 -0.026 0.000 1.047 337 T CA 0.306 62.374 62.100 -0.052 0.000 0.944 337 T CB -0.110 68.728 68.868 -0.049 0.000 1.016 337 T HN 0.163 nan 8.240 nan 0.000 0.544 338 A N 0.690 123.483 122.820 -0.045 0.000 2.251 338 A HA 0.667 4.986 4.320 -0.001 0.000 0.209 338 A C 1.802 179.397 177.584 0.018 0.000 1.187 338 A CA 0.274 52.307 52.037 -0.007 0.000 0.823 338 A CB -0.764 18.213 19.000 -0.038 0.000 0.846 338 A HN 1.345 nan 8.150 nan 0.000 0.486 339 G N -1.163 107.652 108.800 0.026 0.000 2.148 339 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.157 339 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.157 339 G C -0.006 174.931 174.900 0.063 0.000 1.012 339 G CA -0.166 44.962 45.100 0.047 0.000 0.677 339 G HN 0.300 nan 8.290 nan 0.000 0.506 340 L N 2.008 123.266 121.223 0.060 0.000 2.461 340 L HA 0.406 4.745 4.340 -0.001 0.000 0.272 340 L C 1.697 178.620 176.870 0.088 0.000 1.197 340 L CA 0.399 55.293 54.840 0.090 0.000 0.836 340 L CB 0.856 42.970 42.059 0.092 0.000 1.105 340 L HN 0.532 nan 8.230 nan 0.000 0.477 341 S N 1.997 117.758 115.700 0.101 0.000 2.600 341 S HA 0.046 4.516 4.470 -0.001 0.000 0.265 341 S C 0.807 175.455 174.600 0.080 0.000 1.325 341 S CA -0.671 57.577 58.200 0.081 0.000 1.002 341 S CB 1.030 64.278 63.200 0.080 0.000 0.921 341 S HN 0.561 nan 8.310 nan 0.000 0.554 342 L N 1.925 123.180 121.223 0.053 0.000 2.131 342 L HA -0.004 4.335 4.340 -0.001 0.000 0.210 342 L C 2.371 179.273 176.870 0.054 0.000 1.092 342 L CA 2.212 57.074 54.840 0.037 0.000 0.759 342 L CB -1.599 40.470 42.059 0.017 0.000 0.903 342 L HN 0.961 nan 8.230 nan 0.000 0.435 343 T N -0.765 113.828 114.554 0.065 0.000 2.701 343 T HA -0.194 4.155 4.350 -0.001 0.000 0.263 343 T C 1.799 176.580 174.700 0.135 0.000 1.040 343 T CA 1.694 63.840 62.100 0.075 0.000 1.147 343 T CB -0.169 68.732 68.868 0.055 0.000 0.865 343 T HN 0.465 nan 8.240 nan 0.000 0.426 344 Q N 0.774 120.679 119.800 0.175 0.000 2.077 344 Q HA -0.207 4.132 4.340 -0.001 0.000 0.206 344 Q C 2.589 178.840 176.000 0.417 0.000 0.989 344 Q CA 1.611 57.605 55.803 0.318 0.000 0.853 344 Q CB -0.237 28.678 28.738 0.294 0.000 0.907 344 Q HN 0.609 nan 8.270 nan 0.000 0.418 345 Q N -0.276 119.682 119.800 0.264 0.000 2.135 345 Q HA -0.141 4.198 4.340 -0.001 0.000 0.204 345 Q C 2.289 178.379 176.000 0.151 0.000 0.981 345 Q CA 1.442 57.384 55.803 0.233 0.000 0.856 345 Q CB 0.002 28.765 28.738 0.042 0.000 0.902 345 Q HN 0.229 nan 8.270 nan 0.000 0.425 346 S N 0.086 115.845 115.700 0.098 0.000 2.356 346 S HA -0.180 4.289 4.470 -0.001 0.000 0.223 346 S C 1.631 176.263 174.600 0.053 0.000 1.032 346 S CA 1.278 59.505 58.200 0.044 0.000 1.005 346 S CB -0.419 62.802 63.200 0.035 0.000 0.867 346 S HN 0.480 nan 8.310 nan 0.000 0.449 347 Y N 1.512 121.804 120.300 -0.013 0.000 2.114 347 Y HA -0.163 4.386 4.550 -0.001 0.000 0.284 347 Y C 1.794 177.604 175.900 -0.150 0.000 1.143 347 Y CA 1.429 59.449 58.100 -0.133 0.000 1.135 347 Y CB -0.750 37.547 38.460 -0.272 0.000 0.980 347 Y HN 0.195 nan 8.280 nan 0.000 0.499 348 F N 0.031 119.774 119.950 -0.344 0.000 2.234 348 F HA -0.223 4.303 4.527 -0.001 0.000 0.299 348 F C 2.730 178.404 175.800 -0.210 0.000 1.087 348 F CA 1.761 59.494 58.000 -0.446 0.000 1.340 348 F CB -0.614 38.268 39.000 -0.196 0.000 1.031 348 F HN 0.186 nan 8.300 nan 0.000 0.500 349 M N -0.286 119.395 119.600 0.135 0.000 2.065 349 M HA -0.293 4.186 4.480 -0.001 0.000 0.259 349 M C 2.127 178.395 176.300 -0.053 0.000 1.069 349 M CA 1.976 57.325 55.300 0.082 0.000 1.110 349 M CB -0.182 32.405 32.600 -0.022 0.000 1.328 349 M HN 0.160 nan 8.290 nan 0.000 0.405 350 M N -0.335 119.184 119.600 -0.136 0.000 2.156 350 M HA -0.080 4.399 4.480 -0.001 0.000 0.264 350 M C 2.399 178.584 176.300 -0.191 0.000 1.067 350 M CA 1.511 56.727 55.300 -0.140 0.000 1.131 350 M CB -0.664 31.869 32.600 -0.111 0.000 1.368 350 M HN 0.510 nan 8.290 nan 0.000 0.416 351 A N 0.213 122.802 122.820 -0.387 0.000 1.940 351 A HA -0.163 4.157 4.320 -0.001 0.000 0.219 351 A C 2.207 179.676 177.584 -0.192 0.000 1.176 351 A CA 2.333 54.144 52.037 -0.376 0.000 0.631 351 A CB -1.197 17.328 19.000 -0.791 0.000 0.814 351 A HN 0.470 nan 8.150 nan 0.000 0.446 352 T N 0.066 114.544 114.554 -0.126 0.000 2.777 352 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 352 T C 1.919 176.601 174.700 -0.029 0.000 1.040 352 T CA 1.645 63.739 62.100 -0.011 0.000 1.141 352 T CB -0.316 68.614 68.868 0.103 0.000 0.868 352 T HN 0.462 nan 8.240 nan 0.000 0.444 353 M N 0.750 120.323 119.600 -0.045 0.000 2.149 353 M HA -0.103 4.376 4.480 -0.001 0.000 0.261 353 M C 2.407 178.690 176.300 -0.027 0.000 1.064 353 M CA 1.201 56.480 55.300 -0.037 0.000 1.102 353 M CB -0.744 31.831 32.600 -0.042 0.000 1.369 353 M HN 0.107 nan 8.290 nan 0.000 0.408 354 V N 0.871 120.761 119.914 -0.040 0.000 2.392 354 V HA -0.275 3.844 4.120 -0.001 0.000 0.249 354 V C 2.168 178.255 176.094 -0.012 0.000 1.059 354 V CA 1.758 64.041 62.300 -0.028 0.000 1.051 354 V CB -0.698 31.101 31.823 -0.041 0.000 0.658 354 V HN 0.459 nan 8.190 nan 0.000 0.455 355 I N 0.657 121.221 120.570 -0.010 0.000 2.423 355 I HA -0.259 3.910 4.170 -0.001 0.000 0.254 355 I C 2.580 178.733 176.117 0.060 0.000 1.151 355 I CA 1.270 62.579 61.300 0.016 0.000 1.421 355 I CB -0.568 37.445 38.000 0.022 0.000 1.079 355 I HN 0.298 nan 8.210 nan 0.000 0.431 356 A N 0.333 123.180 122.820 0.045 0.000 2.084 356 A HA -0.155 4.165 4.320 -0.001 0.000 0.221 356 A C 2.368 179.974 177.584 0.038 0.000 1.161 356 A CA 1.824 53.887 52.037 0.042 0.000 0.653 356 A CB -0.732 18.278 19.000 0.017 0.000 0.802 356 A HN 0.292 nan 8.150 nan 0.000 0.457 357 V N 0.661 120.594 119.914 0.033 0.000 2.273 357 V HA -0.091 4.028 4.120 -0.001 0.000 0.242 357 V C -0.083 176.029 176.094 0.029 0.000 1.035 357 V CA 1.845 64.166 62.300 0.035 0.000 1.013 357 V CB -1.605 30.233 31.823 0.026 0.000 0.652 357 V HN 0.392 nan 8.190 nan 0.000 0.452 358 P HA -0.132 nan 4.420 nan 0.000 0.216 358 P C 1.666 178.963 177.300 -0.004 0.000 1.150 358 P CA 1.705 64.815 63.100 0.016 0.000 0.837 358 P CB -0.278 31.439 31.700 0.028 0.000 0.786 359 T N -0.468 114.115 114.554 0.048 0.000 2.746 359 T HA -0.076 4.273 4.350 -0.001 0.000 0.267 359 T C 2.150 176.796 174.700 -0.090 0.000 1.039 359 T CA 1.774 63.912 62.100 0.064 0.000 1.142 359 T CB -1.218 67.806 68.868 0.260 0.000 0.866 359 T HN 0.201 nan 8.240 nan 0.000 0.444 360 G N 1.478 110.214 108.800 -0.108 0.000 2.446 360 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.217 360 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.217 360 G C 1.526 176.228 174.900 -0.330 0.000 1.168 360 G CA 0.622 45.532 45.100 -0.317 0.000 0.771 360 G HN 0.482 nan 8.290 nan 0.000 0.551 361 I N 0.706 121.238 120.570 -0.062 0.000 2.143 361 I HA -0.342 3.828 4.170 -0.001 0.000 0.245 361 I C 3.019 179.017 176.117 -0.198 0.000 1.068 361 I CA 1.698 62.990 61.300 -0.013 0.000 1.326 361 I CB -0.161 37.831 38.000 -0.013 0.000 1.028 361 I HN 0.232 nan 8.210 nan 0.000 0.412 362 M N -0.472 118.884 119.600 -0.408 0.000 2.132 362 M HA -0.182 4.298 4.480 -0.001 0.000 0.263 362 M C 2.335 178.084 176.300 -0.918 0.000 1.065 362 M CA 1.536 56.313 55.300 -0.873 0.000 1.122 362 M CB -0.421 31.476 32.600 -1.172 0.000 1.365 362 M HN 0.186 nan 8.290 nan 0.000 0.411 363 I N 0.204 120.483 120.570 -0.485 0.000 2.179 363 I HA -0.250 3.920 4.170 -0.001 0.000 0.242 363 I C 2.395 178.469 176.117 -0.071 0.000 1.088 363 I CA 1.906 63.139 61.300 -0.111 0.000 1.357 363 I CB -1.140 36.722 38.000 -0.228 0.000 1.051 363 I HN 0.167 nan 8.210 nan 0.000 0.409 364 F N 1.381 121.304 119.950 -0.045 0.000 2.146 364 F HA -0.116 4.411 4.527 -0.001 0.000 0.298 364 F C 2.875 178.574 175.800 -0.168 0.000 1.096 364 F CA 0.968 58.914 58.000 -0.090 0.000 1.275 364 F CB -1.480 37.447 39.000 -0.122 0.000 1.008 364 F HN -0.015 nan 8.300 nan 0.000 0.480 365 S N -0.952 114.725 115.700 -0.038 0.000 2.383 365 S HA -0.196 4.274 4.470 -0.001 0.000 0.229 365 S C 1.874 176.484 174.600 0.017 0.000 1.030 365 S CA 1.090 59.245 58.200 -0.076 0.000 1.002 365 S CB -0.442 62.705 63.200 -0.088 0.000 0.829 365 S HN 0.391 nan 8.310 nan 0.000 0.467 366 W N 1.454 122.770 121.300 0.026 0.000 2.388 366 W HA 0.128 4.788 4.660 -0.001 0.000 0.294 366 W C 1.982 178.529 176.519 0.047 0.000 1.212 366 W CA 0.047 57.410 57.345 0.030 0.000 1.271 366 W CB -1.009 28.453 29.460 0.005 0.000 1.126 366 W HN 0.317 nan 8.180 nan 0.000 0.535 367 I N 0.123 120.856 120.570 0.273 0.000 2.286 367 I HA -0.221 3.948 4.170 -0.001 0.000 0.245 367 I C 2.520 178.740 176.117 0.172 0.000 1.104 367 I CA 1.382 62.818 61.300 0.227 0.000 1.397 367 I CB -0.832 37.313 38.000 0.242 0.000 1.072 367 I HN -0.200 nan 8.210 nan 0.000 0.417 368 A N 0.276 123.076 122.820 -0.033 0.000 2.015 368 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 368 A C 2.325 179.935 177.584 0.042 0.000 1.163 368 A CA 2.005 53.904 52.037 -0.231 0.000 0.646 368 A CB -0.902 17.437 19.000 -1.101 0.000 0.806 368 A HN 0.363 nan 8.150 nan 0.000 0.448 369 T N 0.127 114.773 114.554 0.153 0.000 2.788 369 T HA -0.122 4.227 4.350 -0.001 0.000 0.268 369 T C 1.874 176.680 174.700 0.176 0.000 1.044 369 T CA 1.701 63.941 62.100 0.233 0.000 1.139 369 T CB -0.288 68.736 68.868 0.260 0.000 0.867 369 T HN 0.468 nan 8.240 nan 0.000 0.454 370 M N -0.620 119.082 119.600 0.171 0.000 2.254 370 M HA 0.036 4.515 4.480 -0.001 0.000 0.265 370 M C 0.938 177.308 176.300 0.117 0.000 1.066 370 M CA 0.554 55.924 55.300 0.116 0.000 1.123 370 M CB -0.016 32.650 32.600 0.111 0.000 1.388 370 M HN 0.311 nan 8.290 nan 0.000 0.425 371 W N 1.705 123.007 121.300 0.004 0.000 2.308 371 W HA 0.173 4.832 4.660 -0.001 0.000 0.324 371 W C 0.860 177.385 176.519 0.010 0.000 1.387 371 W CA 1.606 58.949 57.345 -0.004 0.000 1.250 371 W CB 0.327 29.769 29.460 -0.030 0.000 1.257 371 W HN 0.575 nan 8.180 nan 0.000 0.554 372 G N 3.542 112.279 108.800 -0.105 0.000 2.148 372 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.254 372 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.254 372 G C 0.310 175.195 174.900 -0.025 0.000 0.981 372 G CA 0.151 45.242 45.100 -0.015 0.000 0.670 372 G HN 0.920 nan 8.290 nan 0.000 0.528 373 G N -1.007 107.762 108.800 -0.052 0.000 2.531 373 G HA2 0.588 4.547 3.960 -0.001 0.000 0.281 373 G HA3 0.588 4.547 3.960 -0.001 0.000 0.281 373 G C 0.161 175.011 174.900 -0.085 0.000 1.382 373 G CA 0.609 45.671 45.100 -0.063 0.000 1.045 373 G HN 1.173 nan 8.290 nan 0.000 0.533 374 S N -0.367 115.278 115.700 -0.092 0.000 2.395 374 S HA 0.412 4.881 4.470 -0.001 0.000 0.207 374 S C -0.312 174.253 174.600 -0.059 0.000 1.454 374 S CA -0.598 57.557 58.200 -0.075 0.000 1.211 374 S CB -0.452 62.707 63.200 -0.068 0.000 1.093 374 S HN 0.366 nan 8.310 nan 0.000 0.472 375 I N 3.387 123.924 120.570 -0.054 0.000 2.396 375 I HA 0.272 4.442 4.170 -0.001 0.000 0.289 375 I C 0.575 176.685 176.117 -0.011 0.000 1.056 375 I CA -0.051 61.228 61.300 -0.036 0.000 1.365 375 I CB 0.816 38.781 38.000 -0.058 0.000 1.407 375 I HN 0.532 nan 8.210 nan 0.000 0.509 376 E N 7.097 127.321 120.200 0.040 0.000 2.133 376 E HA 0.317 4.666 4.350 -0.001 0.000 0.274 376 E C -0.631 175.962 176.600 -0.011 0.000 0.930 376 E CA -0.648 55.796 56.400 0.073 0.000 0.770 376 E CB 1.080 30.902 29.700 0.202 0.000 1.104 376 E HN 0.579 nan 8.360 nan 0.000 0.403 377 L N 5.428 126.608 121.223 -0.073 0.000 2.796 377 L HA 0.205 4.544 4.340 -0.001 0.000 0.235 377 L C 0.355 177.083 176.870 -0.236 0.000 1.344 377 L CA -0.278 54.449 54.840 -0.188 0.000 1.245 377 L CB -0.436 41.536 42.059 -0.146 0.000 1.556 377 L HN 0.217 nan 8.230 nan 0.000 0.423 378 K N -0.087 120.119 120.400 -0.324 0.000 2.138 378 K HA 0.191 4.510 4.320 -0.001 0.000 0.251 378 K C 1.388 177.698 176.600 -0.482 0.000 1.015 378 K CA -0.167 55.943 56.287 -0.294 0.000 0.917 378 K CB 0.992 33.364 32.500 -0.213 0.000 1.021 378 K HN 0.087 nan 8.250 nan 0.000 0.485 379 T N 2.600 116.986 114.554 -0.281 0.000 2.624 379 T HA -0.165 4.184 4.350 -0.001 0.000 0.266 379 T C -1.069 173.349 174.700 -0.469 0.000 1.050 379 T CA 1.926 63.759 62.100 -0.445 0.000 1.163 379 T CB -0.878 67.730 68.868 -0.433 0.000 0.861 379 T HN 0.490 nan 8.240 nan 0.000 0.443 380 P HA -0.005 nan 4.420 nan 0.000 0.217 380 P C 1.564 178.542 177.300 -0.538 0.000 1.150 380 P CA 0.836 63.752 63.100 -0.307 0.000 0.832 380 P CB -0.115 31.384 31.700 -0.334 0.000 0.787 381 M N -1.006 118.049 119.600 -0.908 0.000 2.175 381 M HA -0.071 4.408 4.480 -0.001 0.000 0.264 381 M C 1.811 177.758 176.300 -0.588 0.000 1.063 381 M CA 1.681 56.556 55.300 -0.709 0.000 1.119 381 M CB -1.353 30.803 32.600 -0.740 0.000 1.377 381 M HN -0.201 nan 8.290 nan 0.000 0.415 382 L N -1.588 119.146 121.223 -0.814 0.000 2.012 382 L HA -0.243 4.096 4.340 -0.001 0.000 0.210 382 L C 2.235 178.419 176.870 -1.143 0.000 1.073 382 L CA 1.752 55.820 54.840 -1.286 0.000 0.748 382 L CB -0.964 39.880 42.059 -2.026 0.000 0.891 382 L HN 0.430 nan 8.230 nan 0.000 0.431 383 W N -0.295 120.608 121.300 -0.661 0.000 2.338 383 W HA -0.219 4.440 4.660 -0.001 0.000 0.304 383 W C 2.722 179.283 176.519 0.070 0.000 1.212 383 W CA 0.973 58.242 57.345 -0.126 0.000 1.264 383 W CB -0.405 28.980 29.460 -0.125 0.000 1.142 383 W HN 0.121 nan 8.180 nan 0.000 0.512 384 A N -0.108 122.743 122.820 0.052 0.000 1.930 384 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 384 A C 1.930 179.542 177.584 0.046 0.000 1.175 384 A CA 1.259 53.275 52.037 -0.035 0.000 0.627 384 A CB -0.870 17.975 19.000 -0.259 0.000 0.815 384 A HN 0.301 nan 8.150 nan 0.000 0.443 385 L N -0.906 120.304 121.223 -0.022 0.000 2.072 385 L HA -0.044 4.296 4.340 -0.001 0.000 0.205 385 L C 2.843 179.832 176.870 0.198 0.000 1.079 385 L CA 0.924 55.779 54.840 0.025 0.000 0.752 385 L CB -0.867 41.126 42.059 -0.110 0.000 0.906 385 L HN 0.468 nan 8.230 nan 0.000 0.436 386 G N 0.044 109.025 108.800 0.302 0.000 2.440 386 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.218 386 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.218 386 G C 1.513 176.719 174.900 0.509 0.000 1.154 386 G CA 0.752 46.215 45.100 0.605 0.000 0.767 386 G HN 0.294 nan 8.290 nan 0.000 0.552 387 F N 1.273 121.447 119.950 0.373 0.000 2.091 387 F HA -0.079 4.447 4.527 -0.001 0.000 0.299 387 F C 2.494 178.389 175.800 0.159 0.000 1.103 387 F CA 1.433 59.556 58.000 0.205 0.000 1.228 387 F CB -0.237 38.831 39.000 0.112 0.000 0.984 387 F HN 0.061 nan 8.300 nan 0.000 0.477 388 L N -1.047 120.380 121.223 0.340 0.000 2.042 388 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 388 L C 2.441 179.448 176.870 0.229 0.000 1.076 388 L CA 1.683 56.684 54.840 0.269 0.000 0.749 388 L CB -0.928 41.280 42.059 0.248 0.000 0.893 388 L HN 0.285 nan 8.230 nan 0.000 0.432 389 F N 0.649 120.673 119.950 0.123 0.000 2.098 389 F HA -0.143 4.383 4.527 -0.001 0.000 0.294 389 F C 2.157 177.996 175.800 0.064 0.000 1.107 389 F CA 1.446 59.514 58.000 0.114 0.000 1.234 389 F CB -0.227 38.880 39.000 0.179 0.000 1.002 389 F HN -0.163 nan 8.300 nan 0.000 0.472 390 L N -1.055 120.105 121.223 -0.105 0.000 2.072 390 L HA -0.143 4.196 4.340 -0.001 0.000 0.205 390 L C 2.421 179.157 176.870 -0.223 0.000 1.079 390 L CA 1.261 55.964 54.840 -0.228 0.000 0.752 390 L CB -0.993 40.940 42.059 -0.209 0.000 0.906 390 L HN 0.205 nan 8.230 nan 0.000 0.436 391 F N 0.967 120.651 119.950 -0.444 0.000 2.171 391 F HA -0.227 4.299 4.527 -0.001 0.000 0.300 391 F C 2.395 178.045 175.800 -0.249 0.000 1.090 391 F CA 1.835 59.570 58.000 -0.443 0.000 1.293 391 F CB -0.318 38.204 39.000 -0.796 0.000 1.013 391 F HN -0.067 nan 8.300 nan 0.000 0.486 392 T N 0.060 114.498 114.554 -0.192 0.000 2.708 392 T HA -0.161 4.188 4.350 -0.001 0.000 0.266 392 T C 2.176 176.671 174.700 -0.343 0.000 1.037 392 T CA 1.677 63.642 62.100 -0.225 0.000 1.146 392 T CB -0.638 68.173 68.868 -0.095 0.000 0.865 392 T HN 0.114 nan 8.240 nan 0.000 0.435 393 V N 1.479 121.125 119.914 -0.446 0.000 2.287 393 V HA -0.164 3.955 4.120 -0.001 0.000 0.248 393 V C 2.869 178.691 176.094 -0.452 0.000 1.053 393 V CA 2.119 64.112 62.300 -0.512 0.000 1.027 393 V CB -1.421 29.956 31.823 -0.742 0.000 0.646 393 V HN 0.608 nan 8.190 nan 0.000 0.447 394 G N -0.192 108.371 108.800 -0.396 0.000 2.418 394 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.217 394 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.217 394 G C 1.621 176.376 174.900 -0.242 0.000 1.158 394 G CA 0.970 45.897 45.100 -0.289 0.000 0.771 394 G HN 0.604 nan 8.290 nan 0.000 0.545 395 G N 0.654 109.170 108.800 -0.473 0.000 2.418 395 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.217 395 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.217 395 G C 1.963 176.732 174.900 -0.219 0.000 1.158 395 G CA 2.086 46.939 45.100 -0.411 0.000 0.771 395 G HN 0.827 nan 8.290 nan 0.000 0.545 396 V N 0.002 119.786 119.914 -0.216 0.000 2.667 396 V HA -0.089 4.030 4.120 -0.001 0.000 0.252 396 V C 2.816 178.821 176.094 -0.148 0.000 1.065 396 V CA 2.457 64.663 62.300 -0.157 0.000 1.083 396 V CB -1.290 30.448 31.823 -0.141 0.000 0.692 396 V HN 0.456 nan 8.190 nan 0.000 0.468 397 T N -1.723 112.725 114.554 -0.177 0.000 2.951 397 T HA 0.070 4.420 4.350 -0.001 0.000 0.268 397 T C 2.018 176.553 174.700 -0.274 0.000 1.073 397 T CA 1.249 63.250 62.100 -0.165 0.000 1.134 397 T CB -0.764 67.937 68.868 -0.277 0.000 0.884 397 T HN 0.633 nan 8.240 nan 0.000 0.479 398 G N 2.029 110.584 108.800 -0.409 0.000 2.418 398 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.217 398 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.217 398 G C 1.481 176.196 174.900 -0.308 0.000 1.158 398 G CA 0.726 45.456 45.100 -0.616 0.000 0.771 398 G HN 0.464 nan 8.290 nan 0.000 0.545 399 I N 0.946 121.409 120.570 -0.179 0.000 2.315 399 I HA -0.099 4.070 4.170 -0.001 0.000 0.248 399 I C 2.950 179.019 176.117 -0.079 0.000 1.117 399 I CA 0.642 61.877 61.300 -0.109 0.000 1.404 399 I CB -0.999 36.956 38.000 -0.075 0.000 1.071 399 I HN 0.033 nan 8.210 nan 0.000 0.419 400 V N 1.256 121.135 119.914 -0.059 0.000 2.287 400 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 400 V C 2.586 178.690 176.094 0.018 0.000 1.053 400 V CA 1.621 63.922 62.300 0.002 0.000 1.027 400 V CB -0.633 31.234 31.823 0.073 0.000 0.646 400 V HN 0.328 nan 8.190 nan 0.000 0.447 401 L N 0.963 122.175 121.223 -0.018 0.000 2.191 401 L HA -0.142 4.197 4.340 -0.001 0.000 0.212 401 L C 2.660 179.544 176.870 0.024 0.000 1.103 401 L CA 1.593 56.436 54.840 0.004 0.000 0.769 401 L CB -0.729 41.258 42.059 -0.120 0.000 0.908 401 L HN 0.563 nan 8.230 nan 0.000 0.438 402 S N -1.392 114.281 115.700 -0.046 0.000 2.423 402 S HA -0.125 4.344 4.470 -0.001 0.000 0.231 402 S C 1.109 175.750 174.600 0.069 0.000 1.014 402 S CA 0.407 58.627 58.200 0.034 0.000 0.965 402 S CB -0.298 62.873 63.200 -0.048 0.000 0.785 402 S HN 0.330 nan 8.310 nan 0.000 0.495 403 Q N 1.498 121.283 119.800 -0.025 0.000 2.359 403 Q HA 0.449 4.788 4.340 -0.001 0.000 0.249 403 Q C 1.290 177.159 176.000 -0.219 0.000 1.181 403 Q CA 0.443 56.180 55.803 -0.110 0.000 0.897 403 Q CB 0.474 29.165 28.738 -0.078 0.000 1.424 403 Q HN 0.511 nan 8.270 nan 0.000 0.478 404 A N 2.991 125.501 122.820 -0.516 0.000 1.948 404 A HA -0.259 4.060 4.320 -0.001 0.000 0.220 404 A C 2.099 179.468 177.584 -0.358 0.000 1.177 404 A CA 2.178 53.717 52.037 -0.829 0.000 0.636 404 A CB -0.301 17.984 19.000 -1.191 0.000 0.815 404 A HN 0.715 nan 8.150 nan 0.000 0.449 405 S N -0.617 114.937 115.700 -0.244 0.000 2.402 405 S HA -0.083 4.386 4.470 -0.001 0.000 0.229 405 S C 1.633 176.156 174.600 -0.129 0.000 1.021 405 S CA 1.394 59.502 58.200 -0.155 0.000 0.974 405 S CB -0.621 62.503 63.200 -0.127 0.000 0.800 405 S HN 0.291 nan 8.310 nan 0.000 0.484 406 V N 2.131 121.966 119.914 -0.131 0.000 2.599 406 V HA -0.022 4.097 4.120 -0.001 0.000 0.245 406 V C 2.364 178.394 176.094 -0.107 0.000 1.046 406 V CA 1.566 63.771 62.300 -0.157 0.000 1.065 406 V CB -0.858 30.887 31.823 -0.132 0.000 0.703 406 V HN 0.427 nan 8.190 nan 0.000 0.464 407 D N 0.291 120.698 120.400 0.011 0.000 2.265 407 D HA -0.230 4.409 4.640 -0.001 0.000 0.208 407 D C 2.165 178.542 176.300 0.127 0.000 0.977 407 D CA 0.971 55.058 54.000 0.145 0.000 0.871 407 D CB -0.024 40.922 40.800 0.244 0.000 0.925 407 D HN 0.171 nan 8.370 nan 0.000 0.485 408 R N -1.037 119.481 120.500 0.030 0.000 2.103 408 R HA -0.208 4.131 4.340 -0.001 0.000 0.242 408 R C 1.977 178.306 176.300 0.048 0.000 1.142 408 R CA 1.537 57.657 56.100 0.033 0.000 0.960 408 R CB -0.845 29.449 30.300 -0.011 0.000 0.858 408 R HN 0.368 nan 8.270 nan 0.000 0.439 409 Y N -1.183 119.032 120.300 -0.143 0.000 2.206 409 Y HA -0.137 4.412 4.550 -0.001 0.000 0.292 409 Y C 1.395 177.220 175.900 -0.125 0.000 1.123 409 Y CA 1.508 59.486 58.100 -0.203 0.000 1.142 409 Y CB -0.139 38.073 38.460 -0.414 0.000 1.006 409 Y HN 0.084 nan 8.280 nan 0.000 0.518 410 Y N -0.916 119.498 120.300 0.189 0.000 2.420 410 Y HA -0.010 4.539 4.550 -0.001 0.000 0.292 410 Y C 0.980 176.936 175.900 0.092 0.000 1.119 410 Y CA 0.677 58.843 58.100 0.111 0.000 1.229 410 Y CB -1.322 37.124 38.460 -0.024 0.000 1.026 410 Y HN 0.105 nan 8.280 nan 0.000 0.554 411 H N 1.709 120.887 119.070 0.180 0.000 3.094 411 H HA -0.028 4.527 4.556 -0.001 0.000 0.320 411 H C 0.623 176.000 175.328 0.082 0.000 1.000 411 H CA 0.580 56.700 56.048 0.121 0.000 1.413 411 H CB -0.028 29.792 29.762 0.096 0.000 1.405 411 H HN 0.234 nan 8.280 nan 0.000 0.586 412 D N 2.413 122.400 120.400 -0.689 0.000 2.837 412 D HA -0.202 4.437 4.640 -0.001 0.000 0.230 412 D C -0.320 175.861 176.300 -0.199 0.000 1.152 412 D CA 1.419 55.144 54.000 -0.459 0.000 0.736 412 D CB -0.886 39.650 40.800 -0.440 0.000 1.084 412 D HN 0.764 nan 8.370 nan 0.000 0.429 413 T N -4.172 110.325 114.554 -0.095 0.000 2.910 413 T HA 0.435 4.785 4.350 -0.001 0.000 0.287 413 T C 1.024 175.705 174.700 -0.031 0.000 1.050 413 T CA -0.722 61.365 62.100 -0.022 0.000 1.011 413 T CB 0.953 69.888 68.868 0.111 0.000 1.195 413 T HN -0.079 nan 8.240 nan 0.000 0.540 414 Y N -0.616 119.636 120.300 -0.080 0.000 2.639 414 Y HA 0.068 4.617 4.550 -0.001 0.000 0.297 414 Y C 1.982 177.781 175.900 -0.168 0.000 1.151 414 Y CA 0.620 58.644 58.100 -0.128 0.000 1.335 414 Y CB -0.502 37.857 38.460 -0.168 0.000 0.994 414 Y HN 0.818 nan 8.280 nan 0.000 0.548 415 Y N -0.875 119.359 120.300 -0.109 0.000 2.242 415 Y HA -0.228 4.321 4.550 -0.001 0.000 0.291 415 Y C 2.191 177.905 175.900 -0.310 0.000 1.137 415 Y CA 1.421 59.344 58.100 -0.294 0.000 1.181 415 Y CB -0.321 37.854 38.460 -0.475 0.000 0.989 415 Y HN -0.103 nan 8.280 nan 0.000 0.527 416 V N -1.053 118.847 119.914 -0.023 0.000 2.343 416 V HA -0.311 3.808 4.120 -0.001 0.000 0.247 416 V C 2.278 178.165 176.094 -0.344 0.000 1.051 416 V CA 1.748 64.033 62.300 -0.026 0.000 1.036 416 V CB -0.873 31.014 31.823 0.106 0.000 0.654 416 V HN 0.314 nan 8.190 nan 0.000 0.451 417 V N 0.479 120.063 119.914 -0.549 0.000 2.332 417 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 417 V C 2.704 178.275 176.094 -0.871 0.000 1.055 417 V CA 2.054 63.728 62.300 -1.043 0.000 1.038 417 V CB -1.255 30.158 31.823 -0.684 0.000 0.651 417 V HN 0.561 nan 8.190 nan 0.000 0.450 418 A N -0.012 122.437 122.820 -0.618 0.000 1.877 418 A HA -0.291 4.028 4.320 -0.001 0.000 0.216 418 A C 2.139 179.400 177.584 -0.539 0.000 1.186 418 A CA 2.254 53.899 52.037 -0.654 0.000 0.620 418 A CB -0.880 17.354 19.000 -1.277 0.000 0.822 418 A HN 0.782 nan 8.150 nan 0.000 0.443 419 H N 0.103 118.799 119.070 -0.624 0.000 2.290 419 H HA -0.210 4.345 4.556 -0.001 0.000 0.298 419 H C 1.618 176.776 175.328 -0.283 0.000 1.087 419 H CA 2.534 58.338 56.048 -0.407 0.000 1.291 419 H CB -0.624 28.937 29.762 -0.336 0.000 1.369 419 H HN 0.603 nan 8.280 nan 0.000 0.492 420 F N -1.249 118.328 119.950 -0.621 0.000 2.456 420 F HA 0.124 4.650 4.527 -0.001 0.000 0.298 420 F C 1.812 177.207 175.800 -0.675 0.000 1.104 420 F CA 0.889 58.443 58.000 -0.745 0.000 1.435 420 F CB -1.039 37.660 39.000 -0.501 0.000 1.078 420 F HN 0.182 nan 8.300 nan 0.000 0.546 421 H N -1.613 117.046 119.070 -0.686 0.000 2.462 421 H HA -0.002 4.554 4.556 -0.001 0.000 0.292 421 H C 1.495 176.355 175.328 -0.781 0.000 1.049 421 H CA 1.938 57.454 56.048 -0.886 0.000 1.334 421 H CB -0.360 28.302 29.762 -1.834 0.000 1.404 421 H HN 0.266 nan 8.280 nan 0.000 0.544 422 Y N -0.011 119.971 120.300 -0.531 0.000 2.163 422 Y HA -0.218 4.331 4.550 -0.001 0.000 0.288 422 Y C 2.577 178.248 175.900 -0.382 0.000 1.136 422 Y CA 1.415 59.268 58.100 -0.412 0.000 1.147 422 Y CB -0.307 37.939 38.460 -0.357 0.000 0.987 422 Y HN 0.134 nan 8.280 nan 0.000 0.509 423 V N -2.767 116.977 119.914 -0.282 0.000 2.548 423 V HA -0.228 3.891 4.120 -0.001 0.000 0.249 423 V C 1.788 177.810 176.094 -0.120 0.000 1.055 423 V CA 1.708 63.881 62.300 -0.212 0.000 1.065 423 V CB -0.565 31.067 31.823 -0.318 0.000 0.681 423 V HN 0.362 nan 8.190 nan 0.000 0.462 424 M N 0.379 119.842 119.600 -0.228 0.000 2.553 424 M HA 0.069 4.548 4.480 -0.001 0.000 0.255 424 M C 2.443 178.657 176.300 -0.144 0.000 1.181 424 M CA 1.641 56.821 55.300 -0.201 0.000 1.210 424 M CB -0.207 32.209 32.600 -0.305 0.000 1.280 424 M HN 0.378 nan 8.290 nan 0.000 0.495 425 S N -0.047 115.531 115.700 -0.204 0.000 2.528 425 S HA 0.111 4.580 4.470 -0.001 0.000 0.219 425 S C 1.200 175.797 174.600 -0.005 0.000 0.985 425 S CA 0.540 58.696 58.200 -0.074 0.000 0.914 425 S CB 0.140 63.304 63.200 -0.061 0.000 0.776 425 S HN 0.270 nan 8.310 nan 0.000 0.526 426 L N 0.283 121.370 121.223 -0.227 0.000 3.069 426 L HA 0.503 4.843 4.340 -0.001 0.000 0.271 426 L C 1.275 177.865 176.870 -0.466 0.000 1.201 426 L CA 0.303 54.838 54.840 -0.509 0.000 1.015 426 L CB 0.894 42.537 42.059 -0.694 0.000 1.371 426 L HN 0.314 nan 8.230 nan 0.000 0.574 427 G N -1.351 107.378 108.800 -0.118 0.000 2.449 427 G HA2 0.269 4.228 3.960 -0.001 0.000 0.192 427 G HA3 0.269 4.228 3.960 -0.001 0.000 0.192 427 G C 1.344 176.484 174.900 0.399 0.000 1.776 427 G CA 0.522 45.612 45.100 -0.015 0.000 0.699 427 G HN 0.076 nan 8.290 nan 0.000 0.745 428 A N 0.139 123.120 122.820 0.267 0.000 1.948 428 A HA 0.027 4.346 4.320 -0.001 0.000 0.220 428 A C 2.500 180.177 177.584 0.156 0.000 1.177 428 A CA 2.276 54.442 52.037 0.215 0.000 0.636 428 A CB -0.801 18.223 19.000 0.040 0.000 0.815 428 A HN 0.428 nan 8.150 nan 0.000 0.449 429 V N -1.498 118.494 119.914 0.131 0.000 2.515 429 V HA -0.182 3.937 4.120 -0.001 0.000 0.250 429 V C 2.229 178.366 176.094 0.072 0.000 1.058 429 V CA 1.695 63.998 62.300 0.005 0.000 1.064 429 V CB -0.862 30.979 31.823 0.030 0.000 0.675 429 V HN 0.550 nan 8.190 nan 0.000 0.461 430 F N 1.354 121.399 119.950 0.159 0.000 2.234 430 F HA 0.019 4.545 4.527 -0.001 0.000 0.299 430 F C 2.339 178.250 175.800 0.185 0.000 1.087 430 F CA 1.127 59.337 58.000 0.350 0.000 1.340 430 F CB -1.275 38.084 39.000 0.599 0.000 1.031 430 F HN 0.199 nan 8.300 nan 0.000 0.500 431 G N 0.074 109.058 108.800 0.306 0.000 2.422 431 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.218 431 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.218 431 G C 1.868 176.740 174.900 -0.046 0.000 1.146 431 G CA 0.879 45.980 45.100 0.003 0.000 0.769 431 G HN 0.345 nan 8.290 nan 0.000 0.547 432 I N -0.219 120.319 120.570 -0.053 0.000 2.179 432 I HA -0.112 4.058 4.170 -0.001 0.000 0.242 432 I C 2.420 178.453 176.117 -0.140 0.000 1.088 432 I CA 0.865 62.133 61.300 -0.053 0.000 1.357 432 I CB -0.236 37.630 38.000 -0.223 0.000 1.051 432 I HN 0.044 nan 8.210 nan 0.000 0.409 433 F N 0.994 120.739 119.950 -0.341 0.000 2.171 433 F HA -0.173 4.354 4.527 -0.001 0.000 0.300 433 F C 2.590 178.106 175.800 -0.473 0.000 1.090 433 F CA 1.051 58.647 58.000 -0.674 0.000 1.293 433 F CB -1.248 36.660 39.000 -1.820 0.000 1.013 433 F HN 0.011 nan 8.300 nan 0.000 0.486 434 A N 0.412 123.117 122.820 -0.191 0.000 1.865 434 A HA -0.102 4.217 4.320 -0.001 0.000 0.217 434 A C 2.653 180.162 177.584 -0.124 0.000 1.191 434 A CA 1.974 53.965 52.037 -0.077 0.000 0.623 434 A CB -1.594 17.330 19.000 -0.127 0.000 0.826 434 A HN 0.396 nan 8.150 nan 0.000 0.444 435 G N -0.082 108.565 108.800 -0.255 0.000 2.491 435 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 435 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 435 G C 1.553 176.423 174.900 -0.050 0.000 1.180 435 G CA 1.248 46.044 45.100 -0.506 0.000 0.774 435 G HN 0.469 nan 8.290 nan 0.000 0.562 436 I N -0.799 119.910 120.570 0.231 0.000 2.226 436 I HA -0.165 4.004 4.170 -0.001 0.000 0.245 436 I C 2.460 178.683 176.117 0.177 0.000 1.100 436 I CA 1.041 62.535 61.300 0.324 0.000 1.374 436 I CB -0.131 38.020 38.000 0.252 0.000 1.057 436 I HN 0.167 nan 8.210 nan 0.000 0.413 437 Y N -1.255 119.159 120.300 0.189 0.000 2.337 437 Y HA -0.197 4.352 4.550 -0.001 0.000 0.293 437 Y C 2.161 178.381 175.900 0.533 0.000 1.123 437 Y CA 1.094 59.282 58.100 0.146 0.000 1.201 437 Y CB -0.379 38.032 38.460 -0.081 0.000 1.011 437 Y HN 0.090 nan 8.280 nan 0.000 0.545 438 F N -1.393 118.768 119.950 0.351 0.000 2.186 438 F HA -0.196 4.331 4.527 -0.001 0.000 0.299 438 F C 1.167 177.382 175.800 0.691 0.000 1.090 438 F CA 1.395 59.600 58.000 0.343 0.000 1.307 438 F CB -0.158 38.621 39.000 -0.368 0.000 1.019 438 F HN 0.060 nan 8.300 nan 0.000 0.489 439 W N -0.970 120.598 121.300 0.447 0.000 2.714 439 W HA 0.280 4.940 4.660 -0.001 0.000 0.353 439 W C 1.813 178.503 176.519 0.285 0.000 0.999 439 W CA -0.526 56.967 57.345 0.247 0.000 1.629 439 W CB -0.569 28.857 29.460 -0.056 0.000 1.106 439 W HN -0.037 nan 8.180 nan 0.000 0.545 440 I N 0.305 121.171 120.570 0.493 0.000 2.394 440 I HA -0.128 4.041 4.170 -0.001 0.000 0.251 440 I C 2.244 178.480 176.117 0.198 0.000 1.136 440 I CA 1.900 63.367 61.300 0.278 0.000 1.425 440 I CB -0.410 37.698 38.000 0.180 0.000 1.079 440 I HN -0.078 nan 8.210 nan 0.000 0.425 441 G N 0.682 109.599 108.800 0.196 0.000 2.418 441 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.217 441 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.217 441 G C 1.637 176.618 174.900 0.135 0.000 1.158 441 G CA 1.023 46.040 45.100 -0.138 0.000 0.771 441 G HN 0.249 nan 8.290 nan 0.000 0.545 442 K N 0.337 121.005 120.400 0.447 0.000 2.057 442 K HA 0.095 4.414 4.320 -0.001 0.000 0.207 442 K C 2.483 179.170 176.600 0.145 0.000 1.049 442 K CA 1.290 57.780 56.287 0.337 0.000 0.931 442 K CB -0.387 32.267 32.500 0.257 0.000 0.714 442 K HN 0.357 nan 8.250 nan 0.000 0.440 443 M N -0.298 119.347 119.600 0.075 0.000 2.288 443 M HA -0.037 4.442 4.480 -0.001 0.000 0.266 443 M C 1.899 178.218 176.300 0.033 0.000 1.072 443 M CA 1.576 56.844 55.300 -0.053 0.000 1.132 443 M CB 0.038 32.475 32.600 -0.272 0.000 1.386 443 M HN 0.284 nan 8.290 nan 0.000 0.432 444 S N -1.361 114.360 115.700 0.036 0.000 2.506 444 S HA 0.303 4.772 4.470 -0.001 0.000 0.219 444 S C 1.595 176.194 174.600 -0.002 0.000 1.031 444 S CA 0.449 58.660 58.200 0.019 0.000 0.911 444 S CB 0.411 63.618 63.200 0.012 0.000 0.812 444 S HN 0.591 nan 8.310 nan 0.000 0.497 445 G N 1.443 110.244 108.800 0.001 0.000 2.184 445 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.264 445 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.264 445 G C 0.096 174.953 174.900 -0.073 0.000 0.975 445 G CA 0.311 45.397 45.100 -0.023 0.000 0.642 445 G HN 0.629 nan 8.290 nan 0.000 0.536 446 R N -0.752 119.697 120.500 -0.085 0.000 2.854 446 R HA 0.679 5.018 4.340 -0.001 0.000 0.271 446 R C -0.635 175.584 176.300 -0.135 0.000 0.996 446 R CA -0.901 55.129 56.100 -0.117 0.000 0.961 446 R CB 1.445 31.677 30.300 -0.113 0.000 1.182 446 R HN 0.158 nan 8.270 nan 0.000 0.479 447 Q N 1.286 120.992 119.800 -0.156 0.000 2.345 447 Q HA 0.244 4.583 4.340 -0.001 0.000 0.268 447 Q C -1.508 174.458 176.000 -0.057 0.000 1.054 447 Q CA -0.814 54.879 55.803 -0.182 0.000 0.835 447 Q CB 1.187 29.726 28.738 -0.332 0.000 1.339 447 Q HN 0.490 nan 8.270 nan 0.000 0.447 448 Y N 1.690 122.018 120.300 0.047 0.000 2.309 448 Y HA 0.643 5.193 4.550 -0.001 0.000 0.327 448 Y C -2.140 173.844 175.900 0.141 0.000 1.172 448 Y CA -2.690 55.483 58.100 0.122 0.000 1.280 448 Y CB -0.054 38.532 38.460 0.210 0.000 1.234 448 Y HN 0.457 nan 8.280 nan 0.000 0.512 449 P HA -0.001 nan 4.420 nan 0.000 0.270 449 P C 0.003 177.343 177.300 0.066 0.000 1.242 449 P CA 0.120 63.262 63.100 0.071 0.000 0.768 449 P CB 1.544 33.228 31.700 -0.028 0.000 0.820 450 E N 5.230 125.480 120.200 0.082 0.000 2.110 450 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 450 E C 1.619 178.363 176.600 0.240 0.000 0.988 450 E CA 1.456 57.990 56.400 0.223 0.000 0.804 450 E CB -0.600 29.194 29.700 0.157 0.000 0.745 450 E HN 0.624 nan 8.360 nan 0.000 0.458 451 W N 0.045 121.465 121.300 0.201 0.000 2.374 451 W HA -0.047 4.613 4.660 -0.001 0.000 0.288 451 W C 1.689 178.361 176.519 0.256 0.000 1.218 451 W CA 1.146 58.601 57.345 0.184 0.000 1.245 451 W CB -0.970 28.570 29.460 0.134 0.000 1.126 451 W HN 0.173 nan 8.180 nan 0.000 0.545 452 A N 1.923 124.244 122.820 -0.832 0.000 1.930 452 A HA 0.120 4.439 4.320 -0.001 0.000 0.215 452 A C 2.406 180.020 177.584 0.050 0.000 1.176 452 A CA 1.833 53.450 52.037 -0.698 0.000 0.632 452 A CB -1.445 16.907 19.000 -1.080 0.000 0.819 452 A HN 0.367 nan 8.150 nan 0.000 0.445 453 G N -0.254 108.601 108.800 0.091 0.000 2.422 453 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.218 453 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.218 453 G C 1.656 176.487 174.900 -0.116 0.000 1.140 453 G CA 1.026 46.092 45.100 -0.057 0.000 0.775 453 G HN 0.553 nan 8.290 nan 0.000 0.545 454 K N -0.658 119.750 120.400 0.014 0.000 2.062 454 K HA 0.089 4.408 4.320 -0.001 0.000 0.205 454 K C 2.298 179.022 176.600 0.205 0.000 1.051 454 K CA 0.638 56.952 56.287 0.045 0.000 0.941 454 K CB -0.221 32.385 32.500 0.178 0.000 0.719 454 K HN 0.244 nan 8.250 nan 0.000 0.440 455 L N 1.011 122.390 121.223 0.261 0.000 2.056 455 L HA -0.183 4.156 4.340 -0.001 0.000 0.207 455 L C 2.310 179.289 176.870 0.182 0.000 1.078 455 L CA 1.818 56.802 54.840 0.241 0.000 0.749 455 L CB -0.683 41.492 42.059 0.193 0.000 0.901 455 L HN 0.307 nan 8.230 nan 0.000 0.433 456 H N -1.551 117.635 119.070 0.193 0.000 2.319 456 H HA -0.293 4.262 4.556 -0.001 0.000 0.299 456 H C 2.173 177.529 175.328 0.046 0.000 1.092 456 H CA 2.173 58.369 56.048 0.246 0.000 1.302 456 H CB -0.292 29.738 29.762 0.447 0.000 1.373 456 H HN 0.445 nan 8.280 nan 0.000 0.497 457 F N 0.515 120.137 119.950 -0.547 0.000 2.095 457 F HA -0.236 4.290 4.527 -0.001 0.000 0.298 457 F C 1.944 177.287 175.800 -0.762 0.000 1.104 457 F CA 1.952 59.194 58.000 -1.263 0.000 1.232 457 F CB -0.771 37.189 39.000 -1.733 0.000 0.987 457 F HN 0.187 nan 8.300 nan 0.000 0.475 458 W N 0.157 121.275 121.300 -0.303 0.000 2.388 458 W HA -0.150 4.509 4.660 -0.001 0.000 0.294 458 W C 2.529 178.959 176.519 -0.149 0.000 1.212 458 W CA 1.094 58.294 57.345 -0.241 0.000 1.271 458 W CB -0.431 28.995 29.460 -0.055 0.000 1.126 458 W HN 0.012 nan 8.180 nan 0.000 0.535 459 M N -0.892 118.771 119.600 0.104 0.000 2.086 459 M HA -0.250 4.229 4.480 -0.001 0.000 0.261 459 M C 2.276 178.622 176.300 0.077 0.000 1.067 459 M CA 1.661 57.017 55.300 0.093 0.000 1.116 459 M CB -0.721 31.928 32.600 0.082 0.000 1.348 459 M HN 0.033 nan 8.290 nan 0.000 0.407 460 M N 0.228 119.838 119.600 0.017 0.000 2.080 460 M HA -0.192 4.287 4.480 -0.001 0.000 0.260 460 M C 1.918 178.260 176.300 0.070 0.000 1.068 460 M CA 1.879 57.219 55.300 0.067 0.000 1.109 460 M CB -0.714 31.910 32.600 0.039 0.000 1.342 460 M HN 0.198 nan 8.290 nan 0.000 0.405 461 F N -0.482 119.282 119.950 -0.310 0.000 2.126 461 F HA -0.213 4.313 4.527 -0.001 0.000 0.299 461 F C 1.800 177.586 175.800 -0.022 0.000 1.096 461 F CA 1.868 59.732 58.000 -0.226 0.000 1.255 461 F CB -0.234 38.341 39.000 -0.709 0.000 0.997 461 F HN 0.017 nan 8.300 nan 0.000 0.479 462 V N -0.235 119.749 119.914 0.117 0.000 2.302 462 V HA -0.136 3.983 4.120 -0.001 0.000 0.243 462 V C 2.730 178.825 176.094 0.002 0.000 1.036 462 V CA 1.764 64.112 62.300 0.079 0.000 1.020 462 V CB -1.520 30.392 31.823 0.149 0.000 0.657 462 V HN 0.484 nan 8.190 nan 0.000 0.453 463 G N -0.095 108.723 108.800 0.030 0.000 2.446 463 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.217 463 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.217 463 G C 1.743 176.613 174.900 -0.050 0.000 1.168 463 G CA 1.225 46.331 45.100 0.010 0.000 0.771 463 G HN 0.603 nan 8.290 nan 0.000 0.551 464 A N 0.789 123.601 122.820 -0.014 0.000 1.929 464 A HA -0.023 4.296 4.320 -0.001 0.000 0.216 464 A C 2.274 179.793 177.584 -0.109 0.000 1.176 464 A CA 1.608 53.638 52.037 -0.012 0.000 0.628 464 A CB -0.397 18.678 19.000 0.126 0.000 0.816 464 A HN 0.353 nan 8.150 nan 0.000 0.444 465 N N 0.125 118.723 118.700 -0.171 0.000 2.120 465 N HA -0.077 4.662 4.740 -0.001 0.000 0.188 465 N C 1.685 177.193 175.510 -0.003 0.000 1.024 465 N CA 1.230 54.223 53.050 -0.094 0.000 0.852 465 N CB -0.318 38.051 38.487 -0.195 0.000 1.003 465 N HN 0.474 nan 8.380 nan 0.000 0.424 466 L N 0.748 121.938 121.223 -0.055 0.000 2.201 466 L HA -0.117 4.223 4.340 -0.001 0.000 0.212 466 L C 2.119 178.910 176.870 -0.131 0.000 1.105 466 L CA 0.919 55.737 54.840 -0.037 0.000 0.775 466 L CB -0.455 41.583 42.059 -0.035 0.000 0.913 466 L HN 0.160 nan 8.230 nan 0.000 0.440 467 T N -0.790 113.583 114.554 -0.302 0.000 2.770 467 T HA -0.083 4.267 4.350 -0.001 0.000 0.263 467 T C 1.349 175.659 174.700 -0.650 0.000 1.039 467 T CA 1.359 63.084 62.100 -0.625 0.000 1.142 467 T CB -0.133 68.086 68.868 -1.082 0.000 0.868 467 T HN 0.128 nan 8.240 nan 0.000 0.435 468 F N -0.774 119.085 119.950 -0.153 0.000 2.678 468 F HA 0.414 4.940 4.527 -0.001 0.000 0.291 468 F C 1.606 177.371 175.800 -0.059 0.000 1.123 468 F CA -1.235 56.658 58.000 -0.179 0.000 1.395 468 F CB -0.467 38.343 39.000 -0.317 0.000 1.121 468 F HN 0.043 nan 8.300 nan 0.000 0.592 469 F N 2.425 122.449 119.950 0.123 0.000 2.113 469 F HA -0.032 4.494 4.527 -0.001 0.000 0.297 469 F C -0.740 174.822 175.800 -0.397 0.000 1.103 469 F CA 1.219 59.230 58.000 0.018 0.000 1.248 469 F CB -1.444 37.535 39.000 -0.034 0.000 0.999 469 F HN -0.147 nan 8.300 nan 0.000 0.475 470 P HA -0.182 nan 4.420 nan 0.000 0.221 470 P C 1.034 178.089 177.300 -0.407 0.000 1.145 470 P CA 1.516 64.333 63.100 -0.470 0.000 0.795 470 P CB -0.196 31.558 31.700 0.091 0.000 0.775 471 Q N -1.767 117.828 119.800 -0.341 0.000 2.291 471 Q HA -0.179 4.160 4.340 -0.001 0.000 0.205 471 Q C 1.742 177.535 176.000 -0.344 0.000 0.970 471 Q CA 1.068 56.716 55.803 -0.258 0.000 0.876 471 Q CB -0.608 28.062 28.738 -0.113 0.000 0.935 471 Q HN 0.526 nan 8.270 nan 0.000 0.455 472 H N -0.682 118.050 119.070 -0.565 0.000 2.353 472 H HA -0.138 4.418 4.556 -0.001 0.000 0.300 472 H C 1.491 176.725 175.328 -0.157 0.000 1.090 472 H CA 1.543 57.267 56.048 -0.539 0.000 1.327 472 H CB -0.006 29.168 29.762 -0.981 0.000 1.383 472 H HN 0.179 nan 8.280 nan 0.000 0.508 473 F N 0.504 120.364 119.950 -0.149 0.000 2.075 473 F HA -0.154 4.372 4.527 -0.001 0.000 0.297 473 F C 2.282 178.120 175.800 0.063 0.000 1.113 473 F CA 0.957 58.871 58.000 -0.143 0.000 1.218 473 F CB -1.131 37.529 39.000 -0.567 0.000 0.984 473 F HN 0.081 nan 8.300 nan 0.000 0.472 474 L N -0.359 121.004 121.223 0.234 0.000 2.042 474 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 474 L C 2.751 179.740 176.870 0.198 0.000 1.076 474 L CA 1.490 56.447 54.840 0.195 0.000 0.749 474 L CB -1.453 40.548 42.059 -0.097 0.000 0.893 474 L HN 0.276 nan 8.230 nan 0.000 0.432 475 G N -0.373 108.562 108.800 0.224 0.000 2.402 475 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.216 475 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.216 475 G C 1.746 176.949 174.900 0.504 0.000 1.162 475 G CA 0.398 45.698 45.100 0.333 0.000 0.777 475 G HN 0.266 nan 8.290 nan 0.000 0.539 476 R N -0.294 120.501 120.500 0.491 0.000 2.096 476 R HA -0.005 4.335 4.340 -0.001 0.000 0.235 476 R C 2.523 179.087 176.300 0.439 0.000 1.127 476 R CA 1.079 57.453 56.100 0.456 0.000 0.968 476 R CB -0.102 30.393 30.300 0.325 0.000 0.861 476 R HN 0.264 nan 8.270 nan 0.000 0.440 477 Q N -0.615 119.445 119.800 0.433 0.000 2.482 477 Q HA 0.043 4.382 4.340 -0.001 0.000 0.209 477 Q C 0.751 177.075 176.000 0.539 0.000 0.961 477 Q CA 0.964 57.037 55.803 0.451 0.000 0.945 477 Q CB 1.064 30.087 28.738 0.475 0.000 1.012 477 Q HN 0.601 nan 8.270 nan 0.000 0.515 478 G N 1.573 110.637 108.800 0.440 0.000 2.130 478 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.216 478 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.216 478 G C 0.029 174.962 174.900 0.055 0.000 0.999 478 G CA 0.294 45.515 45.100 0.203 0.000 0.686 478 G HN 0.344 nan 8.290 nan 0.000 0.515 479 M N 1.541 121.019 119.600 -0.203 0.000 2.251 479 M HA 0.373 4.852 4.480 -0.001 0.000 0.346 479 M C -1.984 174.119 176.300 -0.328 0.000 1.499 479 M CA -1.452 53.421 55.300 -0.712 0.000 1.128 479 M CB 0.588 32.496 32.600 -1.153 0.000 1.809 479 M HN 0.011 nan 8.290 nan 0.000 0.464 480 P HA 0.163 nan 4.420 nan 0.000 0.272 480 P C -1.078 176.029 177.300 -0.323 0.000 1.223 480 P CA -0.093 62.699 63.100 -0.512 0.000 0.784 480 P CB 0.493 31.573 31.700 -1.032 0.000 0.923 481 R N 1.712 122.091 120.500 -0.202 0.000 2.641 481 R HA 0.243 4.582 4.340 -0.001 0.000 0.269 481 R C 0.554 176.920 176.300 0.110 0.000 1.074 481 R CA -0.105 55.930 56.100 -0.110 0.000 1.133 481 R CB -0.008 30.219 30.300 -0.122 0.000 1.029 481 R HN 0.447 nan 8.270 nan 0.000 0.488 482 R N -0.343 120.341 120.500 0.307 0.000 3.774 482 R HA -0.183 4.156 4.340 -0.001 0.000 0.320 482 R C -1.201 175.446 176.300 0.578 0.000 1.175 482 R CA 0.632 57.032 56.100 0.499 0.000 0.849 482 R CB -1.670 28.829 30.300 0.331 0.000 1.365 482 R HN 0.416 nan 8.270 nan 0.000 0.502 483 Y N 0.062 120.431 120.300 0.114 0.000 2.335 483 Y HA 0.258 4.808 4.550 -0.001 0.000 0.339 483 Y C 1.524 176.941 175.900 -0.805 0.000 0.987 483 Y CA -1.494 56.497 58.100 -0.183 0.000 1.140 483 Y CB 0.885 39.304 38.460 -0.069 0.000 1.173 483 Y HN 0.082 nan 8.280 nan 0.000 0.486 484 I N 1.106 121.165 120.570 -0.852 0.000 2.493 484 I HA -0.144 4.025 4.170 -0.001 0.000 0.254 484 I C -0.026 175.724 176.117 -0.611 0.000 1.160 484 I CA 1.556 62.206 61.300 -1.084 0.000 1.445 484 I CB 0.292 38.037 38.000 -0.424 0.000 1.086 484 I HN 0.570 nan 8.210 nan 0.000 0.433 485 D N -1.594 118.605 120.400 -0.335 0.000 2.583 485 D HA 0.370 5.009 4.640 -0.001 0.000 0.248 485 D C -1.628 174.665 176.300 -0.012 0.000 1.209 485 D CA -0.329 53.521 54.000 -0.250 0.000 0.848 485 D CB 1.564 42.214 40.800 -0.249 0.000 1.431 485 D HN 0.088 nan 8.370 nan 0.000 0.436 486 Y N -1.898 118.423 120.300 0.034 0.000 2.552 486 Y HA 0.683 5.232 4.550 -0.001 0.000 0.337 486 Y C -2.768 173.264 175.900 0.220 0.000 1.094 486 Y CA -2.361 55.841 58.100 0.169 0.000 1.028 486 Y CB 0.328 38.856 38.460 0.113 0.000 1.321 486 Y HN 0.081 nan 8.280 nan 0.000 0.456 487 P HA -0.051 nan 4.420 nan 0.000 0.264 487 P C 0.675 178.163 177.300 0.313 0.000 1.179 487 P CA 0.482 63.766 63.100 0.307 0.000 0.763 487 P CB 0.950 32.805 31.700 0.258 0.000 0.806 488 E N 3.784 124.053 120.200 0.115 0.000 2.147 488 E HA -0.275 4.075 4.350 -0.001 0.000 0.199 488 E C 1.732 178.381 176.600 0.081 0.000 1.005 488 E CA 2.124 58.574 56.400 0.084 0.000 0.810 488 E CB -0.775 28.929 29.700 0.006 0.000 0.736 488 E HN 0.480 nan 8.360 nan 0.000 0.460 489 A N -0.695 122.093 122.820 -0.054 0.000 2.125 489 A HA -0.077 4.242 4.320 -0.001 0.000 0.219 489 A C 1.467 178.946 177.584 -0.174 0.000 1.156 489 A CA 0.994 52.924 52.037 -0.177 0.000 0.671 489 A CB -0.678 18.132 19.000 -0.317 0.000 0.794 489 A HN 0.354 nan 8.150 nan 0.000 0.459 490 F N -0.564 119.457 119.950 0.118 0.000 2.797 490 F HA 0.287 4.814 4.527 -0.001 0.000 0.302 490 F C 2.266 178.027 175.800 -0.065 0.000 1.130 490 F CA -0.123 57.867 58.000 -0.017 0.000 1.387 490 F CB -0.450 38.419 39.000 -0.218 0.000 1.107 490 F HN 0.246 nan 8.300 nan 0.000 0.577 491 A N 0.128 123.100 122.820 0.254 0.000 1.865 491 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 491 A C 2.362 180.000 177.584 0.090 0.000 1.191 491 A CA 2.522 54.705 52.037 0.243 0.000 0.623 491 A CB -1.210 17.882 19.000 0.153 0.000 0.826 491 A HN 0.310 nan 8.150 nan 0.000 0.444 492 T N -1.118 113.396 114.554 -0.066 0.000 2.607 492 T HA -0.243 4.106 4.350 -0.001 0.000 0.267 492 T C 1.557 176.158 174.700 -0.164 0.000 1.049 492 T CA 1.783 63.734 62.100 -0.249 0.000 1.162 492 T CB -0.464 68.049 68.868 -0.592 0.000 0.863 492 T HN 0.739 nan 8.240 nan 0.000 0.424 493 W N 1.665 123.038 121.300 0.121 0.000 2.467 493 W HA 0.092 4.751 4.660 -0.001 0.000 0.275 493 W C 2.479 179.001 176.519 0.005 0.000 1.239 493 W CA -0.376 57.040 57.345 0.118 0.000 1.266 493 W CB -0.331 29.247 29.460 0.197 0.000 1.112 493 W HN 0.207 nan 8.180 nan 0.000 0.576 494 N N 0.161 118.928 118.700 0.112 0.000 2.244 494 N HA -0.169 4.570 4.740 -0.001 0.000 0.183 494 N C 1.494 177.034 175.510 0.050 0.000 1.016 494 N CA 1.280 54.300 53.050 -0.049 0.000 0.866 494 N CB -0.573 37.767 38.487 -0.246 0.000 0.980 494 N HN 0.155 nan 8.380 nan 0.000 0.430 495 F N 1.945 121.890 119.950 -0.008 0.000 2.084 495 F HA -0.117 4.409 4.527 -0.001 0.000 0.296 495 F C 2.232 178.017 175.800 -0.025 0.000 1.111 495 F CA 0.925 58.922 58.000 -0.006 0.000 1.224 495 F CB -0.459 38.538 39.000 -0.004 0.000 0.991 495 F HN -0.263 nan 8.300 nan 0.000 0.471 496 V N -0.432 119.524 119.914 0.070 0.000 2.287 496 V HA -0.315 3.805 4.120 -0.001 0.000 0.248 496 V C 2.672 178.699 176.094 -0.112 0.000 1.053 496 V CA 2.063 64.373 62.300 0.016 0.000 1.027 496 V CB -1.236 30.773 31.823 0.309 0.000 0.646 496 V HN 0.531 nan 8.190 nan 0.000 0.447 497 S N -0.413 115.236 115.700 -0.086 0.000 2.370 497 S HA -0.230 4.240 4.470 -0.001 0.000 0.226 497 S C 2.202 176.553 174.600 -0.416 0.000 1.033 497 S CA 2.201 60.258 58.200 -0.239 0.000 1.011 497 S CB -0.311 62.755 63.200 -0.224 0.000 0.852 497 S HN 0.617 nan 8.310 nan 0.000 0.457 498 S N 1.244 116.667 115.700 -0.462 0.000 2.368 498 S HA 0.113 4.583 4.470 -0.001 0.000 0.224 498 S C 1.779 175.671 174.600 -1.181 0.000 1.029 498 S CA 1.150 58.885 58.200 -0.775 0.000 0.988 498 S CB -0.417 62.438 63.200 -0.574 0.000 0.838 498 S HN 0.477 nan 8.310 nan 0.000 0.462 499 L N 0.960 121.731 121.223 -0.753 0.000 2.046 499 L HA -0.086 4.253 4.340 -0.001 0.000 0.208 499 L C 2.775 179.459 176.870 -0.310 0.000 1.077 499 L CA 1.278 55.841 54.840 -0.463 0.000 0.747 499 L CB -1.259 40.584 42.059 -0.359 0.000 0.896 499 L HN 0.418 nan 8.230 nan 0.000 0.432 500 G N -0.235 108.379 108.800 -0.309 0.000 2.440 500 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.218 500 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.218 500 G C 1.737 176.495 174.900 -0.237 0.000 1.154 500 G CA 0.891 45.856 45.100 -0.226 0.000 0.767 500 G HN 0.485 nan 8.290 nan 0.000 0.552 501 A N 0.182 122.761 122.820 -0.402 0.000 1.968 501 A HA 0.237 4.556 4.320 -0.001 0.000 0.217 501 A C 2.100 179.669 177.584 -0.026 0.000 1.169 501 A CA 1.172 53.029 52.037 -0.299 0.000 0.638 501 A CB -0.383 18.359 19.000 -0.431 0.000 0.812 501 A HN 0.247 nan 8.150 nan 0.000 0.446 502 F N -0.475 119.471 119.950 -0.006 0.000 2.146 502 F HA -0.067 4.460 4.527 -0.001 0.000 0.298 502 F C 2.008 177.903 175.800 0.158 0.000 1.096 502 F CA 0.721 58.772 58.000 0.084 0.000 1.275 502 F CB -1.140 37.876 39.000 0.027 0.000 1.008 502 F HN 0.257 nan 8.300 nan 0.000 0.480 503 L N 0.086 121.461 121.223 0.253 0.000 2.017 503 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 503 L C 2.302 179.299 176.870 0.212 0.000 1.073 503 L CA 1.863 56.816 54.840 0.190 0.000 0.745 503 L CB -1.289 40.834 42.059 0.107 0.000 0.894 503 L HN 0.014 nan 8.230 nan 0.000 0.432 504 S N -0.711 115.105 115.700 0.194 0.000 2.419 504 S HA -0.183 4.286 4.470 -0.001 0.000 0.233 504 S C 1.761 176.585 174.600 0.373 0.000 1.016 504 S CA 1.487 59.833 58.200 0.244 0.000 0.974 504 S CB -0.675 62.631 63.200 0.176 0.000 0.786 504 S HN 0.538 nan 8.310 nan 0.000 0.492 505 F N 2.447 122.535 119.950 0.229 0.000 2.234 505 F HA 0.160 4.686 4.527 -0.001 0.000 0.296 505 F C 2.323 178.312 175.800 0.316 0.000 1.089 505 F CA 0.448 58.620 58.000 0.286 0.000 1.343 505 F CB -0.839 38.314 39.000 0.255 0.000 1.040 505 F HN 0.162 nan 8.300 nan 0.000 0.498 506 A N -0.116 122.859 122.820 0.258 0.000 1.883 506 A HA -0.253 4.067 4.320 -0.001 0.000 0.217 506 A C 2.424 180.117 177.584 0.181 0.000 1.186 506 A CA 2.419 54.547 52.037 0.151 0.000 0.624 506 A CB -1.526 17.578 19.000 0.174 0.000 0.822 506 A HN 0.506 nan 8.150 nan 0.000 0.444 507 S N -1.615 114.235 115.700 0.250 0.000 2.382 507 S HA -0.163 4.307 4.470 -0.001 0.000 0.228 507 S C 1.803 176.653 174.600 0.416 0.000 1.027 507 S CA 1.572 59.977 58.200 0.341 0.000 0.991 507 S CB -0.579 62.834 63.200 0.354 0.000 0.823 507 S HN 0.521 nan 8.310 nan 0.000 0.469 508 F N 1.688 121.760 119.950 0.204 0.000 2.335 508 F HA 0.349 4.875 4.527 -0.001 0.000 0.296 508 F C 1.833 177.712 175.800 0.130 0.000 1.091 508 F CA 0.486 58.607 58.000 0.202 0.000 1.399 508 F CB -0.174 38.969 39.000 0.238 0.000 1.067 508 F HN 0.156 nan 8.300 nan 0.000 0.520 509 L N -1.251 119.963 121.223 -0.015 0.000 2.027 509 L HA -0.192 4.148 4.340 -0.001 0.000 0.206 509 L C 2.375 179.218 176.870 -0.045 0.000 1.074 509 L CA 1.295 56.057 54.840 -0.131 0.000 0.745 509 L CB -0.948 40.988 42.059 -0.204 0.000 0.898 509 L HN 0.154 nan 8.230 nan 0.000 0.433 510 F N 0.805 120.714 119.950 -0.069 0.000 2.091 510 F HA -0.362 4.164 4.527 -0.001 0.000 0.299 510 F C 2.429 178.153 175.800 -0.127 0.000 1.103 510 F CA 1.843 59.815 58.000 -0.046 0.000 1.228 510 F CB -0.514 38.506 39.000 0.034 0.000 0.984 510 F HN 0.035 nan 8.300 nan 0.000 0.477 511 F N 0.655 120.412 119.950 -0.322 0.000 2.120 511 F HA -0.234 4.292 4.527 -0.001 0.000 0.300 511 F C 1.853 177.362 175.800 -0.485 0.000 1.095 511 F CA 1.884 59.506 58.000 -0.629 0.000 1.249 511 F CB -0.700 37.690 39.000 -1.017 0.000 0.995 511 F HN 0.010 nan 8.300 nan 0.000 0.480 512 L N 0.094 120.958 121.223 -0.597 0.000 2.083 512 L HA -0.113 4.226 4.340 -0.001 0.000 0.209 512 L C 2.849 179.502 176.870 -0.361 0.000 1.083 512 L CA 1.236 55.747 54.840 -0.547 0.000 0.752 512 L CB -1.574 40.282 42.059 -0.338 0.000 0.899 512 L HN 0.368 nan 8.230 nan 0.000 0.433 513 G N -0.452 108.160 108.800 -0.312 0.000 2.422 513 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.218 513 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.218 513 G C 1.586 176.352 174.900 -0.224 0.000 1.146 513 G CA 0.869 45.848 45.100 -0.201 0.000 0.769 513 G HN 0.188 nan 8.290 nan 0.000 0.547 514 V N 1.553 121.182 119.914 -0.476 0.000 2.307 514 V HA -0.116 4.003 4.120 -0.001 0.000 0.245 514 V C 2.784 178.730 176.094 -0.246 0.000 1.045 514 V CA 1.081 63.143 62.300 -0.397 0.000 1.024 514 V CB -0.322 31.216 31.823 -0.474 0.000 0.651 514 V HN 0.262 nan 8.190 nan 0.000 0.449 515 I N -0.427 119.873 120.570 -0.450 0.000 2.264 515 I HA -0.246 3.923 4.170 -0.001 0.000 0.248 515 I C 2.349 178.412 176.117 -0.090 0.000 1.111 515 I CA 1.920 63.012 61.300 -0.346 0.000 1.382 515 I CB -1.160 36.508 38.000 -0.554 0.000 1.060 515 I HN 0.359 nan 8.210 nan 0.000 0.418 516 F N 1.242 121.087 119.950 -0.176 0.000 2.113 516 F HA -0.282 4.245 4.527 -0.001 0.000 0.297 516 F C 2.773 178.554 175.800 -0.032 0.000 1.103 516 F CA 1.490 59.442 58.000 -0.079 0.000 1.248 516 F CB -0.871 38.085 39.000 -0.074 0.000 0.999 516 F HN 0.070 nan 8.300 nan 0.000 0.475 517 Y N 0.754 120.950 120.300 -0.173 0.000 2.224 517 Y HA -0.202 4.347 4.550 -0.001 0.000 0.289 517 Y C 2.345 178.126 175.900 -0.198 0.000 1.146 517 Y CA 2.317 60.289 58.100 -0.213 0.000 1.182 517 Y CB -0.877 37.532 38.460 -0.086 0.000 0.983 517 Y HN 0.050 nan 8.280 nan 0.000 0.524 518 T N 1.045 115.547 114.554 -0.086 0.000 2.737 518 T HA -0.154 4.195 4.350 -0.001 0.000 0.265 518 T C 1.841 176.413 174.700 -0.214 0.000 1.038 518 T CA 1.817 63.847 62.100 -0.116 0.000 1.144 518 T CB -0.433 68.448 68.868 0.021 0.000 0.866 518 T HN 0.321 nan 8.240 nan 0.000 0.434 519 L N 1.068 122.171 121.223 -0.199 0.000 2.395 519 L HA 0.002 4.341 4.340 -0.001 0.000 0.218 519 L C 2.771 179.487 176.870 -0.256 0.000 1.130 519 L CA 1.081 55.821 54.840 -0.167 0.000 0.826 519 L CB -0.580 41.442 42.059 -0.061 0.000 0.941 519 L HN 0.475 nan 8.230 nan 0.000 0.451 520 T N -3.817 110.488 114.554 -0.415 0.000 3.082 520 T HA 0.054 4.403 4.350 -0.001 0.000 0.235 520 T C 1.835 176.300 174.700 -0.391 0.000 0.991 520 T CA 0.589 62.433 62.100 -0.426 0.000 1.220 520 T CB -0.104 68.391 68.868 -0.622 0.000 0.909 520 T HN 0.148 nan 8.240 nan 0.000 0.424 521 R N 1.385 121.552 120.500 -0.554 0.000 2.546 521 R HA 0.671 5.010 4.340 -0.001 0.000 0.320 521 R C 0.956 176.836 176.300 -0.701 0.000 1.021 521 R CA 0.043 55.819 56.100 -0.540 0.000 1.088 521 R CB -0.489 29.532 30.300 -0.465 0.000 1.278 521 R HN 0.740 nan 8.270 nan 0.000 0.557 522 G N 0.070 108.491 108.800 -0.632 0.000 2.390 522 G HA2 0.510 4.469 3.960 -0.001 0.000 0.270 522 G HA3 0.510 4.469 3.960 -0.001 0.000 0.270 522 G C 0.497 175.274 174.900 -0.204 0.000 1.211 522 G CA 0.203 45.052 45.100 -0.420 0.000 0.842 522 G HN 0.880 nan 8.290 nan 0.000 0.519 523 A N 2.965 125.721 122.820 -0.106 0.000 2.598 523 A HA 0.124 4.444 4.320 -0.001 0.000 0.239 523 A C 1.071 178.589 177.584 -0.110 0.000 1.032 523 A CA 0.330 52.318 52.037 -0.082 0.000 0.760 523 A CB 0.053 19.023 19.000 -0.049 0.000 0.946 523 A HN 0.736 nan 8.150 nan 0.000 0.512 524 R N 1.393 121.836 120.500 -0.094 0.000 2.594 524 R HA 0.296 4.635 4.340 -0.001 0.000 0.272 524 R C -0.545 175.694 176.300 -0.101 0.000 1.074 524 R CA -0.376 55.669 56.100 -0.093 0.000 1.105 524 R CB 0.687 30.946 30.300 -0.068 0.000 1.008 524 R HN 0.496 nan 8.270 nan 0.000 0.472 525 V N 2.751 122.599 119.914 -0.109 0.000 2.432 525 V HA 0.065 4.184 4.120 -0.001 0.000 0.275 525 V C 0.924 176.995 176.094 -0.038 0.000 1.043 525 V CA 0.077 62.307 62.300 -0.117 0.000 0.925 525 V CB 1.539 33.259 31.823 -0.172 0.000 0.985 525 V HN 0.898 nan 8.190 nan 0.000 0.466 526 T N 2.888 117.431 114.554 -0.017 0.000 2.988 526 T HA 0.227 4.576 4.350 -0.001 0.000 0.240 526 T C 0.935 175.663 174.700 0.047 0.000 1.014 526 T CA 0.751 62.857 62.100 0.011 0.000 1.155 526 T CB 0.220 69.090 68.868 0.003 0.000 0.872 526 T HN 0.756 nan 8.240 nan 0.000 0.440 527 A N 1.818 124.682 122.820 0.073 0.000 2.386 527 A HA 0.360 4.679 4.320 -0.001 0.000 0.248 527 A C 1.041 178.724 177.584 0.165 0.000 1.082 527 A CA -0.445 51.653 52.037 0.102 0.000 0.789 527 A CB 0.156 19.212 19.000 0.093 0.000 1.025 527 A HN 0.247 nan 8.150 nan 0.000 0.490 528 N N 0.619 119.403 118.700 0.140 0.000 2.106 528 N HA -0.075 4.664 4.740 -0.001 0.000 0.188 528 N C 0.240 175.897 175.510 0.246 0.000 1.029 528 N CA 1.257 54.413 53.050 0.178 0.000 0.848 528 N CB -0.109 38.460 38.487 0.136 0.000 1.007 528 N HN 0.675 nan 8.380 nan 0.000 0.423 529 N N 0.410 119.198 118.700 0.146 0.000 2.558 529 N HA 0.028 4.767 4.740 -0.001 0.000 0.242 529 N C -0.607 174.804 175.510 -0.165 0.000 0.979 529 N CA -0.351 52.692 53.050 -0.011 0.000 0.931 529 N CB 0.320 38.797 38.487 -0.018 0.000 1.122 529 N HN 0.221 nan 8.380 nan 0.000 0.508 530 Y N 1.187 121.357 120.300 -0.216 0.000 2.461 530 Y HA 0.386 4.935 4.550 -0.001 0.000 0.277 530 Y C 0.806 176.434 175.900 -0.454 0.000 1.182 530 Y CA -0.830 57.066 58.100 -0.342 0.000 1.276 530 Y CB -0.286 37.934 38.460 -0.401 0.000 1.087 530 Y HN 0.348 nan 8.280 nan 0.000 0.519 531 W N 2.092 123.162 121.300 -0.383 0.000 3.186 531 W HA 0.236 4.896 4.660 -0.001 0.000 0.281 531 W C 0.025 176.380 176.519 -0.274 0.000 1.188 531 W CA 0.264 57.399 57.345 -0.349 0.000 1.927 531 W CB -0.108 28.939 29.460 -0.689 0.000 1.328 531 W HN 0.076 nan 8.180 nan 0.000 0.514 532 N N -1.396 117.255 118.700 -0.081 0.000 3.046 532 N HA -0.001 4.738 4.740 -0.001 0.000 0.243 532 N C 0.147 175.570 175.510 -0.145 0.000 1.452 532 N CA -0.325 52.677 53.050 -0.079 0.000 0.882 532 N CB 0.493 38.969 38.487 -0.018 0.000 1.425 532 N HN 0.097 nan 8.380 nan 0.000 0.517 533 E N -0.201 119.917 120.200 -0.136 0.000 2.331 533 E HA -0.239 4.110 4.350 -0.001 0.000 0.199 533 E C 0.098 176.504 176.600 -0.324 0.000 1.008 533 E CA 1.642 57.905 56.400 -0.229 0.000 0.843 533 E CB -0.682 28.857 29.700 -0.268 0.000 0.761 533 E HN 0.791 nan 8.360 nan 0.000 0.507 534 H N 0.843 119.835 119.070 -0.130 0.000 2.548 534 H HA 0.378 4.934 4.556 -0.001 0.000 0.265 534 H C 0.532 175.764 175.328 -0.159 0.000 0.969 534 H CA 0.595 56.569 56.048 -0.125 0.000 1.155 534 H CB 0.368 30.057 29.762 -0.123 0.000 1.394 534 H HN 0.256 nan 8.280 nan 0.000 0.570 535 A N 1.964 124.678 122.820 -0.175 0.000 2.805 535 A HA 0.119 4.438 4.320 -0.001 0.000 0.301 535 A C -0.264 177.283 177.584 -0.062 0.000 1.557 535 A CA -0.459 51.425 52.037 -0.255 0.000 1.254 535 A CB -0.574 17.904 19.000 -0.870 0.000 1.114 535 A HN 0.400 nan 8.150 nan 0.000 0.553 536 D N 1.234 121.682 120.400 0.079 0.000 3.008 536 D HA 0.194 4.833 4.640 -0.001 0.000 0.312 536 D C 0.193 176.595 176.300 0.170 0.000 1.361 536 D CA -0.089 53.977 54.000 0.110 0.000 0.858 536 D CB -0.291 40.517 40.800 0.012 0.000 1.098 536 D HN 0.320 nan 8.370 nan 0.000 0.482 537 T N -3.440 111.316 114.554 0.338 0.000 2.940 537 T HA 0.436 4.785 4.350 -0.001 0.000 0.288 537 T C 1.376 176.265 174.700 0.314 0.000 1.045 537 T CA -0.962 61.302 62.100 0.273 0.000 1.018 537 T CB 1.272 70.256 68.868 0.193 0.000 1.151 537 T HN -0.004 nan 8.240 nan 0.000 0.529 538 L N 0.856 122.233 121.223 0.256 0.000 2.261 538 L HA -0.074 4.266 4.340 -0.001 0.000 0.216 538 L C 2.984 179.935 176.870 0.135 0.000 1.114 538 L CA 1.422 56.372 54.840 0.183 0.000 0.777 538 L CB -0.649 41.497 42.059 0.145 0.000 0.910 538 L HN 0.853 nan 8.230 nan 0.000 0.440 539 E N 0.105 120.365 120.200 0.100 0.000 2.268 539 E HA -0.244 4.105 4.350 -0.001 0.000 0.195 539 E C 1.565 178.041 176.600 -0.205 0.000 0.995 539 E CA 1.238 57.581 56.400 -0.094 0.000 0.836 539 E CB -0.429 29.202 29.700 -0.116 0.000 0.763 539 E HN 0.642 nan 8.360 nan 0.000 0.491 540 W N 1.202 122.605 121.300 0.171 0.000 3.139 540 W HA 0.164 4.823 4.660 -0.001 0.000 0.260 540 W C 2.025 178.575 176.519 0.052 0.000 1.312 540 W CA 0.422 57.812 57.345 0.074 0.000 1.606 540 W CB 0.284 29.767 29.460 0.038 0.000 1.118 540 W HN -0.039 nan 8.180 nan 0.000 0.675 541 T N 1.081 115.759 114.554 0.208 0.000 2.937 541 T HA 0.049 4.398 4.350 -0.001 0.000 0.260 541 T C 1.066 175.822 174.700 0.094 0.000 1.051 541 T CA 0.564 62.743 62.100 0.131 0.000 1.141 541 T CB -0.211 68.719 68.868 0.104 0.000 0.879 541 T HN -0.190 nan 8.240 nan 0.000 0.459 542 L N 0.803 122.070 121.223 0.073 0.000 2.479 542 L HA 0.319 4.658 4.340 -0.001 0.000 0.248 542 L C 1.165 178.073 176.870 0.063 0.000 1.205 542 L CA -0.575 54.293 54.840 0.047 0.000 0.817 542 L CB 0.017 42.086 42.059 0.017 0.000 1.162 542 L HN 0.015 nan 8.230 nan 0.000 0.486 543 T N -0.863 113.720 114.554 0.049 0.000 2.732 543 T HA 0.216 4.566 4.350 -0.001 0.000 0.287 543 T C -0.070 174.675 174.700 0.075 0.000 0.993 543 T CA -0.410 61.727 62.100 0.061 0.000 0.966 543 T CB 0.658 69.550 68.868 0.040 0.000 1.047 543 T HN 0.550 nan 8.240 nan 0.000 0.527 544 S N 3.512 119.265 115.700 0.088 0.000 2.653 544 S HA 0.443 4.912 4.470 -0.001 0.000 0.272 544 S C -2.568 172.066 174.600 0.057 0.000 1.221 544 S CA -0.895 57.370 58.200 0.107 0.000 1.149 544 S CB 1.426 64.739 63.200 0.188 0.000 1.029 544 S HN 0.621 nan 8.310 nan 0.000 0.481 545 P HA 0.395 nan 4.420 nan 0.000 0.276 545 P C -2.919 174.393 177.300 0.021 0.000 1.244 545 P CA -1.876 61.252 63.100 0.046 0.000 0.801 545 P CB -0.439 31.281 31.700 0.033 0.000 1.006 546 P HA 0.150 nan 4.420 nan 0.000 0.268 546 P C -2.257 175.006 177.300 -0.061 0.000 1.208 546 P CA -0.623 62.457 63.100 -0.034 0.000 0.777 546 P CB -1.289 30.363 31.700 -0.079 0.000 0.875 547 P HA 0.061 nan 4.420 nan 0.000 0.269 547 P C 1.241 178.490 177.300 -0.085 0.000 1.209 547 P CA 0.319 63.396 63.100 -0.039 0.000 0.776 547 P CB 0.081 31.779 31.700 -0.004 0.000 0.876 548 E N 1.507 121.659 120.200 -0.081 0.000 2.164 548 E HA -0.254 4.095 4.350 -0.001 0.000 0.206 548 E C 0.112 176.504 176.600 -0.346 0.000 1.032 548 E CA 1.892 58.183 56.400 -0.182 0.000 0.832 548 E CB -1.416 28.232 29.700 -0.088 0.000 0.742 548 E HN 0.743 nan 8.360 nan 0.000 0.460 549 H N -1.130 117.887 119.070 -0.089 0.000 2.505 549 H HA 0.569 5.124 4.556 -0.001 0.000 0.338 549 H C 0.354 175.644 175.328 -0.063 0.000 1.057 549 H CA 0.070 56.072 56.048 -0.075 0.000 1.202 549 H CB 2.183 31.912 29.762 -0.054 0.000 1.466 549 H HN 0.390 nan 8.280 nan 0.000 0.499 550 T N 0.000 114.572 114.554 0.031 0.000 3.816 550 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 550 T CA 0.000 62.108 62.100 0.013 0.000 1.349 550 T CB 0.000 68.857 68.868 -0.018 0.000 0.612 550 T HN 0.000 nan 8.240 nan 0.000 0.658