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 1v1s_1_F DATA FIRST_RESID 1 DATA SEQUENCE MLEVVTAGEP LVALVPQEPG HLRGKRLLEV YVGGAEVNVA VALARLGVKV DATA SEQUENCE GFVGRVGEDE LGAMVEERLR AEGVDLTHFR RAPGFTGLYL REYLPLGQGR DATA SEQUENCE VFYYRKGSAG SALAPGAFDP DYLEGVRFLH LSGITPALSP EARAFSLWAM DATA SEQUENCE EEAKRRGVRV SLDVNYRQTL WSPEEARGFL ERALPGVDLL FLSEEEAELL DATA SEQUENCE FGRVEEALRA LSAPEVVLKR GAKGAWAFVD GRRVEGSAFA VEAVDPVGAG DATA SEQUENCE DAFAAGYLAG AVWGLPVEER LRLANLLGAS VAASRGDHEG APYREDLEVL DATA SEQUENCE LK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.327 176.300 0.046 0.000 1.140 1 M CA 0.000 55.334 55.300 0.057 0.000 0.988 1 M CB 0.000 32.630 32.600 0.049 0.000 1.302 2 L N 3.886 125.129 121.223 0.033 0.000 2.453 2 L HA 0.115 4.455 4.340 0.000 0.000 0.272 2 L C 0.782 177.647 176.870 -0.009 0.000 1.182 2 L CA 0.376 55.214 54.840 -0.003 0.000 0.858 2 L CB 0.648 42.663 42.059 -0.073 0.000 1.120 2 L HN 0.849 nan 8.230 nan 0.000 0.474 3 E N 1.904 122.106 120.200 0.003 0.000 2.166 3 E HA 0.081 4.431 4.350 0.000 0.000 0.192 3 E C -0.434 176.186 176.600 0.034 0.000 0.967 3 E CA 0.423 56.839 56.400 0.026 0.000 0.840 3 E CB 0.654 30.368 29.700 0.023 0.000 0.795 3 E HN 0.407 nan 8.360 nan 0.000 0.470 4 V N 1.110 121.018 119.914 -0.010 0.000 2.876 4 V HA 0.398 4.518 4.120 0.000 0.000 0.312 4 V C -0.648 175.417 176.094 -0.048 0.000 1.085 4 V CA -0.992 61.309 62.300 0.000 0.000 0.945 4 V CB 2.408 34.211 31.823 -0.034 0.000 1.017 4 V HN -0.184 nan 8.190 nan 0.000 0.428 5 V N 2.051 121.940 119.914 -0.040 0.000 2.623 5 V HA 0.690 4.810 4.120 0.000 0.000 0.304 5 V C -0.224 175.874 176.094 0.007 0.000 1.054 5 V CA -0.166 62.073 62.300 -0.101 0.000 0.882 5 V CB 2.158 33.801 31.823 -0.301 0.000 1.002 5 V HN 1.010 nan 8.190 nan 0.000 0.424 6 T N 3.016 117.612 114.554 0.069 0.000 2.916 6 T HA 0.915 5.265 4.350 0.000 0.000 0.292 6 T C -0.935 173.810 174.700 0.076 0.000 1.064 6 T CA 0.092 62.289 62.100 0.162 0.000 1.011 6 T CB 1.832 70.873 68.868 0.289 0.000 1.152 6 T HN 1.200 nan 8.240 nan 0.000 0.510 7 A N 0.839 123.714 122.820 0.092 0.000 2.547 7 A HA 0.931 5.252 4.320 0.000 0.000 0.297 7 A C -0.119 177.514 177.584 0.083 0.000 1.056 7 A CA 0.006 51.985 52.037 -0.096 0.000 0.688 7 A CB 1.453 20.501 19.000 0.081 0.000 1.282 7 A HN 1.454 nan 8.150 nan 0.000 0.400 8 G N -0.120 108.690 108.800 0.018 0.000 2.341 8 G HA2 0.483 4.444 3.960 0.000 0.000 0.299 8 G HA3 0.483 4.444 3.960 0.000 0.000 0.299 8 G C -1.570 173.471 174.900 0.235 0.000 1.274 8 G CA -0.157 45.045 45.100 0.170 0.000 0.853 8 G HN 0.889 nan 8.290 nan 0.000 0.493 9 E N 0.637 120.952 120.200 0.190 0.000 2.156 9 E HA 0.585 4.935 4.350 0.000 0.000 0.279 9 E C -2.466 174.266 176.600 0.220 0.000 0.965 9 E CA -1.791 54.713 56.400 0.172 0.000 0.789 9 E CB 1.965 31.692 29.700 0.046 0.000 1.098 9 E HN 0.117 nan 8.360 nan 0.000 0.397 10 P HA 0.304 nan 4.420 nan 0.000 0.282 10 P C -0.970 176.428 177.300 0.164 0.000 1.249 10 P CA -0.308 62.896 63.100 0.173 0.000 0.806 10 P CB 0.872 32.694 31.700 0.203 0.000 0.984 11 L N 1.073 122.401 121.223 0.174 0.000 2.376 11 L HA 0.530 4.870 4.340 0.000 0.000 0.258 11 L C -0.824 176.193 176.870 0.244 0.000 1.013 11 L CA -1.309 53.673 54.840 0.238 0.000 0.822 11 L CB 2.429 44.677 42.059 0.316 0.000 1.388 11 L HN -0.003 nan 8.230 nan 0.000 0.413 12 V N 1.499 121.546 119.914 0.223 0.000 2.370 12 V HA 0.580 4.700 4.120 0.000 0.000 0.279 12 V C 0.285 176.380 176.094 0.001 0.000 1.029 12 V CA -0.525 61.849 62.300 0.124 0.000 0.870 12 V CB 1.422 33.291 31.823 0.077 0.000 0.984 12 V HN 0.804 nan 8.190 nan 0.000 0.451 13 A N 6.582 129.349 122.820 -0.088 0.000 2.309 13 A HA 0.828 5.148 4.320 0.000 0.000 0.298 13 A C -0.617 176.774 177.584 -0.322 0.000 1.165 13 A CA -0.436 51.276 52.037 -0.542 0.000 0.821 13 A CB 0.439 19.284 19.000 -0.258 0.000 1.102 13 A HN 0.808 nan 8.150 nan 0.000 0.500 14 L N 3.184 124.150 121.223 -0.428 0.000 2.325 14 L HA 0.611 4.951 4.340 0.000 0.000 0.281 14 L C -1.030 175.737 176.870 -0.171 0.000 1.004 14 L CA -0.708 53.997 54.840 -0.225 0.000 0.823 14 L CB 1.652 43.595 42.059 -0.194 0.000 1.236 14 L HN 0.431 nan 8.230 nan 0.000 0.415 15 V N 3.867 123.736 119.914 -0.074 0.000 2.760 15 V HA 0.463 4.583 4.120 0.000 0.000 0.309 15 V C -2.213 173.841 176.094 -0.067 0.000 1.077 15 V CA -1.569 60.706 62.300 -0.041 0.000 0.910 15 V CB 2.657 34.556 31.823 0.126 0.000 1.008 15 V HN 0.573 nan 8.190 nan 0.000 0.424 16 P HA 0.158 nan 4.420 nan 0.000 0.272 16 P C -0.219 177.041 177.300 -0.068 0.000 1.230 16 P CA -0.094 62.912 63.100 -0.156 0.000 0.788 16 P CB 0.894 32.446 31.700 -0.248 0.000 0.949 17 Q N -0.006 119.796 119.800 0.003 0.000 2.472 17 Q HA -0.014 4.327 4.340 0.000 0.000 0.208 17 Q C 0.719 176.813 176.000 0.157 0.000 0.958 17 Q CA 0.763 56.620 55.803 0.090 0.000 0.932 17 Q CB 0.104 28.872 28.738 0.050 0.000 1.007 17 Q HN 0.575 nan 8.270 nan 0.000 0.508 18 E N -0.803 119.479 120.200 0.136 0.000 2.416 18 E HA 0.347 4.698 4.350 0.000 0.000 0.280 18 E C -3.130 173.609 176.600 0.231 0.000 1.055 18 E CA -2.606 53.941 56.400 0.245 0.000 0.825 18 E CB 0.650 30.425 29.700 0.124 0.000 1.312 18 E HN -0.298 nan 8.360 nan 0.000 0.452 19 P HA 0.372 nan 4.420 nan 0.000 0.269 19 P C -0.103 177.246 177.300 0.081 0.000 1.211 19 P CA 1.592 64.879 63.100 0.312 0.000 0.781 19 P CB 0.309 32.166 31.700 0.262 0.000 0.877 20 G N -0.201 108.605 108.800 0.009 0.000 2.340 20 G HA2 0.006 3.966 3.960 0.000 0.000 0.527 20 G HA3 0.006 3.966 3.960 0.000 0.000 0.527 20 G C -1.666 173.184 174.900 -0.084 0.000 1.381 20 G CA -0.936 44.168 45.100 0.006 0.000 1.001 20 G HN 0.527 nan 8.290 nan 0.000 0.626 21 H N 0.100 119.172 119.070 0.004 0.000 2.803 21 H HA 0.321 4.877 4.556 0.000 0.000 0.330 21 H C 1.628 176.942 175.328 -0.024 0.000 1.057 21 H CA 0.058 56.109 56.048 0.005 0.000 1.458 21 H CB 1.462 31.235 29.762 0.017 0.000 1.470 21 H HN 0.508 nan 8.280 nan 0.000 0.560 22 L N 3.942 125.190 121.223 0.042 0.000 2.081 22 L HA -0.237 4.104 4.340 0.000 0.000 0.212 22 L C 2.438 179.297 176.870 -0.019 0.000 1.080 22 L CA 1.775 56.602 54.840 -0.020 0.000 0.754 22 L CB -0.537 41.496 42.059 -0.043 0.000 0.893 22 L HN 0.759 nan 8.230 nan 0.000 0.433 23 R N -1.140 119.369 120.500 0.016 0.000 2.170 23 R HA -0.118 4.222 4.340 0.000 0.000 0.242 23 R C 1.895 178.190 176.300 -0.008 0.000 1.145 23 R CA 1.560 57.652 56.100 -0.012 0.000 0.984 23 R CB -1.203 29.097 30.300 0.001 0.000 0.869 23 R HN 0.437 nan 8.270 nan 0.000 0.455 24 G N 1.050 109.860 108.800 0.016 0.000 2.744 24 G HA2 0.025 3.985 3.960 0.000 0.000 0.211 24 G HA3 0.025 3.985 3.960 0.000 0.000 0.211 24 G C 0.077 174.971 174.900 -0.009 0.000 1.146 24 G CA -0.357 44.746 45.100 0.006 0.000 0.787 24 G HN 0.061 nan 8.290 nan 0.000 0.534 25 K N 0.241 120.628 120.400 -0.022 0.000 2.180 25 K HA 0.381 4.701 4.320 0.000 0.000 0.251 25 K C 0.510 177.086 176.600 -0.041 0.000 1.014 25 K CA -0.114 56.151 56.287 -0.036 0.000 0.913 25 K CB 0.878 33.344 32.500 -0.058 0.000 1.008 25 K HN 0.081 nan 8.250 nan 0.000 0.490 26 R N 0.102 120.578 120.500 -0.041 0.000 2.496 26 R HA 0.306 4.646 4.340 0.000 0.000 0.369 26 R C -0.466 175.806 176.300 -0.047 0.000 0.896 26 R CA -0.115 55.959 56.100 -0.043 0.000 1.147 26 R CB 0.625 30.905 30.300 -0.034 0.000 1.697 26 R HN 0.321 nan 8.270 nan 0.000 0.518 27 L N 1.843 123.035 121.223 -0.051 0.000 2.516 27 L HA 0.519 4.859 4.340 0.000 0.000 0.267 27 L C -1.364 175.466 176.870 -0.066 0.000 0.957 27 L CA -0.588 54.219 54.840 -0.055 0.000 0.860 27 L CB 2.370 44.404 42.059 -0.043 0.000 1.265 27 L HN -0.064 nan 8.230 nan 0.000 0.403 28 L N 3.073 124.247 121.223 -0.083 0.000 2.365 28 L HA 0.511 4.851 4.340 0.000 0.000 0.273 28 L C -0.245 176.549 176.870 -0.126 0.000 1.000 28 L CA -0.697 54.084 54.840 -0.098 0.000 0.819 28 L CB 2.486 44.479 42.059 -0.109 0.000 1.284 28 L HN 0.551 nan 8.230 nan 0.000 0.418 29 E N 1.355 121.470 120.200 -0.141 0.000 2.313 29 E HA 0.385 4.735 4.350 0.000 0.000 0.272 29 E C -1.105 175.262 176.600 -0.388 0.000 1.038 29 E CA -0.600 55.633 56.400 -0.278 0.000 0.863 29 E CB 2.239 31.769 29.700 -0.283 0.000 1.060 29 E HN 0.207 nan 8.360 nan 0.000 0.402 30 V N 3.672 123.283 119.914 -0.504 0.000 2.398 30 V HA 0.323 4.443 4.120 0.000 0.000 0.286 30 V C -1.011 174.753 176.094 -0.551 0.000 1.026 30 V CA -0.603 61.462 62.300 -0.392 0.000 0.868 30 V CB 0.057 31.745 31.823 -0.225 0.000 0.982 30 V HN 0.540 nan 8.190 nan 0.000 0.443 31 Y N 2.242 122.503 120.300 -0.065 0.000 2.576 31 Y HA 0.652 5.202 4.550 0.000 0.000 0.346 31 Y C -0.064 175.836 175.900 0.001 0.000 1.018 31 Y CA -1.092 56.979 58.100 -0.048 0.000 1.050 31 Y CB 2.160 40.578 38.460 -0.071 0.000 1.280 31 Y HN 0.338 nan 8.280 nan 0.000 0.474 32 V N 2.026 122.082 119.914 0.236 0.000 2.439 32 V HA 0.847 4.967 4.120 0.000 0.000 0.282 32 V C 0.261 176.537 176.094 0.303 0.000 1.039 32 V CA -0.024 62.410 62.300 0.223 0.000 0.913 32 V CB 0.894 32.836 31.823 0.197 0.000 0.983 32 V HN 0.959 nan 8.190 nan 0.000 0.460 33 G N 2.129 111.073 108.800 0.240 0.000 3.021 33 G HA2 0.794 4.755 3.960 0.000 0.000 0.290 33 G HA3 0.794 4.755 3.960 0.000 0.000 0.290 33 G C -0.255 174.728 174.900 0.138 0.000 1.291 33 G CA -0.486 44.759 45.100 0.241 0.000 0.834 33 G HN 1.500 nan 8.290 nan 0.000 0.564 34 G N -1.723 107.148 108.800 0.118 0.000 3.393 34 G HA2 0.454 4.414 3.960 0.000 0.000 0.676 34 G HA3 0.454 4.414 3.960 0.000 0.000 0.676 34 G C 0.766 175.690 174.900 0.039 0.000 1.224 34 G CA 0.683 45.827 45.100 0.074 0.000 1.109 34 G HN 1.962 nan 8.290 nan 0.000 0.519 35 A N 2.270 125.121 122.820 0.051 0.000 1.901 35 A HA -0.246 4.074 4.320 0.000 0.000 0.227 35 A C 2.211 179.833 177.584 0.062 0.000 1.551 35 A CA 2.932 55.002 52.037 0.055 0.000 0.769 35 A CB -0.835 18.210 19.000 0.075 0.000 0.845 35 A HN 1.254 nan 8.150 nan 0.000 0.481 36 E N -0.786 119.498 120.200 0.140 0.000 2.147 36 E HA -0.146 4.204 4.350 0.000 0.000 0.199 36 E C 1.923 178.554 176.600 0.051 0.000 1.005 36 E CA 1.464 57.996 56.400 0.221 0.000 0.810 36 E CB -0.526 29.416 29.700 0.402 0.000 0.736 36 E HN 0.438 nan 8.360 nan 0.000 0.460 37 V N 1.625 121.458 119.914 -0.134 0.000 2.270 37 V HA -0.285 3.836 4.120 0.000 0.000 0.245 37 V C 1.819 177.697 176.094 -0.362 0.000 1.043 37 V CA 1.890 63.916 62.300 -0.458 0.000 1.014 37 V CB -0.647 30.884 31.823 -0.487 0.000 0.645 37 V HN 0.299 nan 8.190 nan 0.000 0.447 38 N N 0.613 119.174 118.700 -0.231 0.000 2.091 38 N HA -0.175 4.565 4.740 0.000 0.000 0.193 38 N C 1.792 177.173 175.510 -0.214 0.000 1.021 38 N CA 1.808 54.732 53.050 -0.211 0.000 0.862 38 N CB -0.615 37.857 38.487 -0.026 0.000 1.018 38 N HN 0.424 nan 8.380 nan 0.000 0.429 39 V N 1.527 121.342 119.914 -0.164 0.000 2.358 39 V HA -0.145 3.975 4.120 0.000 0.000 0.246 39 V C 2.549 178.529 176.094 -0.190 0.000 1.047 39 V CA 1.661 63.849 62.300 -0.187 0.000 1.035 39 V CB -1.039 30.663 31.823 -0.201 0.000 0.658 39 V HN 0.293 nan 8.190 nan 0.000 0.452 40 A N 0.330 123.052 122.820 -0.165 0.000 1.908 40 A HA -0.167 4.153 4.320 0.000 0.000 0.218 40 A C 2.388 179.859 177.584 -0.189 0.000 1.181 40 A CA 2.266 54.218 52.037 -0.141 0.000 0.627 40 A CB -0.753 18.177 19.000 -0.117 0.000 0.818 40 A HN 0.367 nan 8.150 nan 0.000 0.445 41 V N -0.036 119.713 119.914 -0.276 0.000 2.255 41 V HA -0.264 3.856 4.120 0.000 0.000 0.247 41 V C 3.033 179.003 176.094 -0.207 0.000 1.051 41 V CA 2.010 64.147 62.300 -0.271 0.000 1.018 41 V CB -1.660 29.894 31.823 -0.448 0.000 0.641 41 V HN 0.619 nan 8.190 nan 0.000 0.445 42 A N 0.294 122.989 122.820 -0.208 0.000 1.884 42 A HA -0.221 4.100 4.320 0.000 0.000 0.219 42 A C 2.266 179.739 177.584 -0.185 0.000 1.197 42 A CA 2.367 54.289 52.037 -0.191 0.000 0.637 42 A CB -0.724 18.169 19.000 -0.178 0.000 0.827 42 A HN 0.512 nan 8.150 nan 0.000 0.450 43 L N -1.028 120.082 121.223 -0.187 0.000 1.994 43 L HA -0.224 4.117 4.340 0.000 0.000 0.208 43 L C 3.170 179.972 176.870 -0.113 0.000 1.071 43 L CA 1.222 55.954 54.840 -0.180 0.000 0.745 43 L CB -0.857 41.087 42.059 -0.192 0.000 0.892 43 L HN 0.468 nan 8.230 nan 0.000 0.431 44 A N 0.292 123.053 122.820 -0.098 0.000 1.903 44 A HA -0.268 4.052 4.320 0.000 0.000 0.219 44 A C 2.374 179.947 177.584 -0.019 0.000 1.191 44 A CA 1.970 53.979 52.037 -0.047 0.000 0.638 44 A CB -0.649 18.318 19.000 -0.056 0.000 0.823 44 A HN 0.354 nan 8.150 nan 0.000 0.451 45 R N -0.756 119.695 120.500 -0.082 0.000 2.152 45 R HA 0.007 4.348 4.340 0.000 0.000 0.232 45 R C 1.437 177.735 176.300 -0.004 0.000 1.117 45 R CA 1.096 57.132 56.100 -0.106 0.000 0.981 45 R CB -0.340 29.675 30.300 -0.475 0.000 0.870 45 R HN 0.516 nan 8.270 nan 0.000 0.451 46 L N -0.698 120.527 121.223 0.002 0.000 2.591 46 L HA 0.163 4.503 4.340 0.000 0.000 0.228 46 L C 1.102 178.113 176.870 0.235 0.000 1.133 46 L CA 0.509 55.423 54.840 0.124 0.000 0.880 46 L CB 0.273 42.390 42.059 0.097 0.000 1.033 46 L HN 0.481 nan 8.230 nan 0.000 0.450 47 G N -0.082 108.812 108.800 0.156 0.000 2.176 47 G HA2 -0.239 3.721 3.960 0.000 0.000 0.232 47 G HA3 -0.239 3.721 3.960 0.000 0.000 0.232 47 G C 0.261 175.258 174.900 0.162 0.000 0.986 47 G CA -0.072 45.132 45.100 0.173 0.000 0.643 47 G HN 0.080 nan 8.290 nan 0.000 0.522 48 V N 1.438 121.410 119.914 0.097 0.000 2.555 48 V HA 0.281 4.402 4.120 0.000 0.000 0.286 48 V C 0.937 177.040 176.094 0.015 0.000 1.044 48 V CA 0.021 62.334 62.300 0.022 0.000 1.026 48 V CB 1.297 33.040 31.823 -0.134 0.000 0.981 48 V HN 0.311 nan 8.190 nan 0.000 0.480 49 K N 3.859 124.277 120.400 0.030 0.000 2.315 49 K HA 0.439 4.759 4.320 0.000 0.000 0.291 49 K C -0.571 176.032 176.600 0.004 0.000 1.074 49 K CA 0.062 56.367 56.287 0.030 0.000 0.936 49 K CB 1.134 33.661 32.500 0.044 0.000 1.049 49 K HN 0.484 nan 8.250 nan 0.000 0.471 50 V N 1.865 121.781 119.914 0.003 0.000 2.962 50 V HA 0.792 4.913 4.120 0.000 0.000 0.313 50 V C -0.614 175.501 176.094 0.034 0.000 1.099 50 V CA -0.482 61.815 62.300 -0.006 0.000 0.971 50 V CB 2.083 33.891 31.823 -0.025 0.000 1.028 50 V HN 0.792 nan 8.190 nan 0.000 0.430 51 G N 3.500 112.319 108.800 0.032 0.000 2.482 51 G HA2 0.672 4.632 3.960 0.000 0.000 0.317 51 G HA3 0.672 4.632 3.960 0.000 0.000 0.317 51 G C -1.863 173.148 174.900 0.185 0.000 1.241 51 G CA -0.556 44.625 45.100 0.135 0.000 0.967 51 G HN 0.737 nan 8.290 nan 0.000 0.482 52 F N 2.089 122.088 119.950 0.082 0.000 2.508 52 F HA 0.723 5.251 4.527 0.001 0.000 0.325 52 F C -0.629 175.294 175.800 0.205 0.000 1.090 52 F CA -0.916 57.126 58.000 0.070 0.000 0.945 52 F CB 2.347 41.312 39.000 -0.058 0.000 1.156 52 F HN 0.347 nan 8.300 nan 0.000 0.463 53 V N 4.519 123.994 119.914 -0.732 0.000 2.588 53 V HA 0.956 5.076 4.120 0.000 0.000 0.304 53 V C -0.066 175.621 176.094 -0.678 0.000 1.042 53 V CA -0.131 61.947 62.300 -0.369 0.000 0.877 53 V CB 0.945 32.692 31.823 -0.127 0.000 0.996 53 V HN 1.157 nan 8.190 nan 0.000 0.425 54 G N 4.085 112.805 108.800 -0.133 0.000 2.313 54 G HA2 0.569 4.529 3.960 0.000 0.000 0.296 54 G HA3 0.569 4.529 3.960 0.000 0.000 0.296 54 G C -2.087 172.744 174.900 -0.114 0.000 1.356 54 G CA -0.885 44.180 45.100 -0.059 0.000 0.833 54 G HN 0.436 nan 8.290 nan 0.000 0.552 55 R N -1.124 119.298 120.500 -0.130 0.000 2.854 55 R HA 0.877 5.218 4.340 0.000 0.000 0.271 55 R C -0.294 175.917 176.300 -0.149 0.000 0.994 55 R CA -0.646 55.279 56.100 -0.291 0.000 0.945 55 R CB 1.409 31.581 30.300 -0.214 0.000 1.194 55 R HN 1.531 nan 8.270 nan 0.000 0.476 56 V N -2.488 117.308 119.914 -0.196 0.000 3.188 56 V HA 0.855 4.975 4.120 0.000 0.000 0.305 56 V C 0.267 176.315 176.094 -0.078 0.000 1.232 56 V CA -0.955 61.310 62.300 -0.058 0.000 1.043 56 V CB 1.861 33.733 31.823 0.082 0.000 1.068 56 V HN 0.757 nan 8.190 nan 0.000 0.439 57 G N -0.053 108.725 108.800 -0.037 0.000 2.651 57 G HA2 0.431 4.391 3.960 0.000 0.000 0.260 57 G HA3 0.431 4.391 3.960 0.000 0.000 0.260 57 G C -0.040 174.868 174.900 0.014 0.000 1.216 57 G CA -0.405 44.689 45.100 -0.009 0.000 0.913 57 G HN 0.936 nan 8.290 nan 0.000 0.535 58 E N 0.497 120.712 120.200 0.024 0.000 2.368 58 E HA 0.123 4.473 4.350 0.000 0.000 0.283 58 E C -0.568 176.058 176.600 0.042 0.000 1.476 58 E CA -0.266 56.148 56.400 0.024 0.000 1.786 58 E CB 0.081 29.790 29.700 0.015 0.000 1.518 58 E HN 0.545 nan 8.360 nan 0.000 0.456 59 D N -1.436 118.998 120.400 0.057 0.000 2.467 59 D HA 0.103 4.743 4.640 0.000 0.000 0.245 59 D C 0.917 177.249 176.300 0.055 0.000 1.038 59 D CA -0.703 53.333 54.000 0.061 0.000 1.038 59 D CB 0.659 41.511 40.800 0.087 0.000 1.278 59 D HN -0.240 nan 8.370 nan 0.000 0.564 60 E N -0.211 120.015 120.200 0.044 0.000 2.153 60 E HA -0.081 4.270 4.350 0.000 0.000 0.194 60 E C 1.980 178.607 176.600 0.045 0.000 0.988 60 E CA 0.667 57.089 56.400 0.036 0.000 0.811 60 E CB -0.135 29.578 29.700 0.021 0.000 0.746 60 E HN 0.480 nan 8.360 nan 0.000 0.466 61 L N 0.170 121.427 121.223 0.056 0.000 2.093 61 L HA -0.074 4.266 4.340 0.000 0.000 0.208 61 L C 2.503 179.425 176.870 0.087 0.000 1.085 61 L CA 1.134 56.014 54.840 0.066 0.000 0.755 61 L CB -0.702 41.403 42.059 0.078 0.000 0.904 61 L HN 0.178 nan 8.230 nan 0.000 0.435 62 G N -0.282 108.575 108.800 0.094 0.000 2.433 62 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 62 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 62 G C 1.798 176.774 174.900 0.127 0.000 1.186 62 G CA 0.783 45.953 45.100 0.117 0.000 0.779 62 G HN 0.443 nan 8.290 nan 0.000 0.543 63 A N 0.644 123.520 122.820 0.093 0.000 1.927 63 A HA -0.166 4.154 4.320 0.000 0.000 0.220 63 A C 2.366 180.000 177.584 0.084 0.000 1.185 63 A CA 2.254 54.343 52.037 0.087 0.000 0.639 63 A CB -0.478 18.557 19.000 0.059 0.000 0.820 63 A HN 0.449 nan 8.150 nan 0.000 0.451 64 M N -0.168 119.474 119.600 0.070 0.000 2.086 64 M HA -0.152 4.328 4.480 0.000 0.000 0.261 64 M C 1.955 178.293 176.300 0.062 0.000 1.067 64 M CA 2.252 57.585 55.300 0.055 0.000 1.116 64 M CB -0.327 32.298 32.600 0.043 0.000 1.348 64 M HN 0.248 nan 8.290 nan 0.000 0.407 65 V N 0.778 120.744 119.914 0.087 0.000 2.255 65 V HA -0.326 3.795 4.120 0.000 0.000 0.247 65 V C 2.248 178.358 176.094 0.026 0.000 1.051 65 V CA 2.534 64.876 62.300 0.070 0.000 1.018 65 V CB -1.268 30.645 31.823 0.151 0.000 0.641 65 V HN 0.630 nan 8.190 nan 0.000 0.445 66 E N 0.275 120.549 120.200 0.124 0.000 2.049 66 E HA -0.291 4.059 4.350 0.000 0.000 0.198 66 E C 2.209 178.833 176.600 0.039 0.000 1.007 66 E CA 2.000 58.471 56.400 0.119 0.000 0.809 66 E CB -0.204 29.646 29.700 0.249 0.000 0.749 66 E HN 0.711 nan 8.360 nan 0.000 0.450 67 E N -0.149 120.082 120.200 0.050 0.000 2.049 67 E HA -0.285 4.065 4.350 0.000 0.000 0.198 67 E C 2.259 178.867 176.600 0.014 0.000 1.007 67 E CA 1.377 57.797 56.400 0.033 0.000 0.809 67 E CB -0.203 29.518 29.700 0.035 0.000 0.749 67 E HN 0.076 nan 8.360 nan 0.000 0.450 68 R N 1.488 121.994 120.500 0.010 0.000 2.094 68 R HA -0.154 4.186 4.340 0.000 0.000 0.239 68 R C 2.173 178.449 176.300 -0.040 0.000 1.137 68 R CA 1.514 57.618 56.100 0.007 0.000 0.943 68 R CB -0.886 29.430 30.300 0.026 0.000 0.850 68 R HN 0.182 nan 8.270 nan 0.000 0.433 69 L N -0.138 121.017 121.223 -0.113 0.000 2.017 69 L HA -0.131 4.209 4.340 0.000 0.000 0.208 69 L C 2.855 179.668 176.870 -0.095 0.000 1.073 69 L CA 1.955 56.688 54.840 -0.178 0.000 0.745 69 L CB -0.468 41.387 42.059 -0.340 0.000 0.894 69 L HN 0.269 nan 8.230 nan 0.000 0.432 70 R N -0.000 120.467 120.500 -0.054 0.000 2.081 70 R HA -0.176 4.164 4.340 0.000 0.000 0.235 70 R C 2.348 178.650 176.300 0.004 0.000 1.131 70 R CA 1.533 57.628 56.100 -0.010 0.000 0.960 70 R CB -0.291 30.019 30.300 0.016 0.000 0.856 70 R HN 0.364 nan 8.270 nan 0.000 0.436 71 A N 0.727 123.552 122.820 0.009 0.000 1.933 71 A HA -0.142 4.178 4.320 0.000 0.000 0.218 71 A C 1.753 179.357 177.584 0.035 0.000 1.175 71 A CA 1.460 53.513 52.037 0.025 0.000 0.628 71 A CB -0.322 18.698 19.000 0.033 0.000 0.814 71 A HN 0.320 nan 8.150 nan 0.000 0.444 72 E N -1.385 118.827 120.200 0.020 0.000 2.418 72 E HA 0.079 4.430 4.350 0.000 0.000 0.197 72 E C 1.280 177.894 176.600 0.024 0.000 1.026 72 E CA 0.803 57.221 56.400 0.029 0.000 0.862 72 E CB -0.194 29.495 29.700 -0.018 0.000 0.799 72 E HN 0.856 nan 8.360 nan 0.000 0.518 73 G N 0.791 109.600 108.800 0.014 0.000 2.134 73 G HA2 -0.244 3.716 3.960 0.000 0.000 0.209 73 G HA3 -0.244 3.716 3.960 0.000 0.000 0.209 73 G C 0.321 175.230 174.900 0.014 0.000 0.993 73 G CA 0.237 45.350 45.100 0.023 0.000 0.669 73 G HN 0.135 nan 8.290 nan 0.000 0.519 74 V N 0.632 120.540 119.914 -0.010 0.000 2.686 74 V HA 0.395 4.515 4.120 0.000 0.000 0.295 74 V C 0.724 176.843 176.094 0.041 0.000 1.055 74 V CA -0.051 62.248 62.300 -0.002 0.000 1.050 74 V CB 1.603 33.392 31.823 -0.057 0.000 0.984 74 V HN 0.387 nan 8.190 nan 0.000 0.482 75 D N 3.414 123.868 120.400 0.090 0.000 2.339 75 D HA 0.241 4.881 4.640 0.000 0.000 0.256 75 D C 0.476 176.882 176.300 0.176 0.000 1.214 75 D CA 0.043 54.126 54.000 0.138 0.000 0.877 75 D CB 0.576 41.497 40.800 0.202 0.000 1.111 75 D HN 0.463 nan 8.370 nan 0.000 0.478 76 L N 3.305 124.611 121.223 0.137 0.000 2.928 76 L HA 0.151 4.492 4.340 0.000 0.000 0.246 76 L C 1.835 178.774 176.870 0.115 0.000 1.239 76 L CA -0.305 54.651 54.840 0.193 0.000 1.035 76 L CB -0.106 42.075 42.059 0.203 0.000 1.360 76 L HN 0.410 nan 8.230 nan 0.000 0.529 77 T N -0.841 113.707 114.554 -0.010 0.000 2.649 77 T HA -0.215 4.136 4.350 0.000 0.000 0.268 77 T C 1.148 175.552 174.700 -0.494 0.000 1.036 77 T CA 1.602 63.519 62.100 -0.305 0.000 1.157 77 T CB -0.240 68.317 68.868 -0.518 0.000 0.861 77 T HN 0.423 nan 8.240 nan 0.000 0.445 78 H N -0.978 118.016 119.070 -0.127 0.000 2.490 78 H HA 0.370 4.926 4.556 0.000 0.000 0.285 78 H C -0.924 174.467 175.328 0.105 0.000 1.127 78 H CA -0.438 55.589 56.048 -0.034 0.000 0.993 78 H CB -0.274 29.447 29.762 -0.068 0.000 1.653 78 H HN 0.273 nan 8.280 nan 0.000 0.557 79 F N 2.014 121.994 119.950 0.049 0.000 2.551 79 F HA 0.515 5.042 4.527 0.001 0.000 0.316 79 F C -0.544 175.289 175.800 0.056 0.000 1.089 79 F CA -0.846 57.202 58.000 0.081 0.000 0.915 79 F CB 1.445 40.547 39.000 0.169 0.000 1.186 79 F HN 0.145 nan 8.300 nan 0.000 0.456 80 R N 3.752 123.788 120.500 -0.774 0.000 2.728 80 R HA 0.517 4.857 4.340 0.000 0.000 0.274 80 R C -1.927 174.065 176.300 -0.512 0.000 1.032 80 R CA -1.204 54.632 56.100 -0.441 0.000 0.866 80 R CB 1.152 31.340 30.300 -0.187 0.000 1.263 80 R HN 0.715 nan 8.270 nan 0.000 0.475 81 R N 0.591 120.947 120.500 -0.239 0.000 2.410 81 R HA 0.690 5.030 4.340 0.000 0.000 0.288 81 R C -0.699 175.527 176.300 -0.124 0.000 1.051 81 R CA 0.102 56.109 56.100 -0.156 0.000 1.021 81 R CB 1.779 32.051 30.300 -0.047 0.000 1.032 81 R HN 0.712 nan 8.270 nan 0.000 0.481 82 A N 4.177 126.931 122.820 -0.110 0.000 2.527 82 A HA 0.645 4.965 4.320 0.000 0.000 0.293 82 A C -2.627 174.926 177.584 -0.050 0.000 1.117 82 A CA -2.062 49.926 52.037 -0.082 0.000 0.723 82 A CB 1.386 20.324 19.000 -0.103 0.000 1.313 82 A HN 0.433 nan 8.150 nan 0.000 0.411 83 P HA 0.391 nan 4.420 nan 0.000 0.266 83 P C 0.630 177.928 177.300 -0.003 0.000 1.193 83 P CA 2.019 65.115 63.100 -0.007 0.000 0.770 83 P CB 0.488 32.185 31.700 -0.005 0.000 0.836 84 G N 1.132 109.957 108.800 0.042 0.000 2.362 84 G HA2 0.168 4.128 3.960 0.000 0.000 0.517 84 G HA3 0.168 4.128 3.960 0.000 0.000 0.517 84 G C -1.270 173.720 174.900 0.151 0.000 1.256 84 G CA -0.472 44.679 45.100 0.085 0.000 1.027 84 G HN 0.541 nan 8.290 nan 0.000 0.491 85 F N -1.404 118.556 119.950 0.016 0.000 2.639 85 F HA 0.902 5.429 4.527 0.000 0.000 0.339 85 F C 0.161 175.987 175.800 0.042 0.000 1.071 85 F CA -0.726 57.291 58.000 0.028 0.000 0.994 85 F CB 1.522 40.543 39.000 0.035 0.000 1.341 85 F HN 0.539 nan 8.300 nan 0.000 0.498 86 T N 1.186 115.839 114.554 0.165 0.000 2.795 86 T HA 0.540 4.890 4.350 0.000 0.000 0.282 86 T C 0.332 175.145 174.700 0.189 0.000 0.980 86 T CA -0.342 61.800 62.100 0.071 0.000 1.012 86 T CB 1.097 70.039 68.868 0.123 0.000 0.936 86 T HN 1.024 nan 8.240 nan 0.000 0.457 87 G N 2.200 111.046 108.800 0.076 0.000 2.491 87 G HA2 0.516 4.476 3.960 0.000 0.000 0.242 87 G HA3 0.516 4.476 3.960 0.000 0.000 0.242 87 G C -0.585 174.487 174.900 0.287 0.000 1.266 87 G CA -0.341 44.897 45.100 0.231 0.000 0.844 87 G HN 0.734 nan 8.290 nan 0.000 0.571 88 L N -0.311 121.129 121.223 0.361 0.000 2.491 88 L HA 0.946 5.286 4.340 0.000 0.000 0.254 88 L C -0.999 176.134 176.870 0.439 0.000 1.048 88 L CA -1.735 53.295 54.840 0.316 0.000 0.855 88 L CB 1.734 43.898 42.059 0.174 0.000 1.466 88 L HN 0.818 nan 8.230 nan 0.000 0.409 89 Y N -0.465 119.935 120.300 0.167 0.000 2.609 89 Y HA 0.855 5.405 4.550 0.000 0.000 0.336 89 Y C -2.230 173.726 175.900 0.092 0.000 1.129 89 Y CA -1.524 56.657 58.100 0.135 0.000 1.040 89 Y CB 1.206 39.620 38.460 -0.077 0.000 1.310 89 Y HN 0.616 nan 8.280 nan 0.000 0.460 90 L N 3.604 124.937 121.223 0.184 0.000 2.329 90 L HA 0.691 5.031 4.340 0.000 0.000 0.279 90 L C -0.037 176.967 176.870 0.223 0.000 1.014 90 L CA -0.644 54.240 54.840 0.073 0.000 0.814 90 L CB 1.825 43.971 42.059 0.145 0.000 1.257 90 L HN 0.841 nan 8.230 nan 0.000 0.424 91 R N 1.459 122.005 120.500 0.077 0.000 2.919 91 R HA 0.765 5.105 4.340 0.000 0.000 0.260 91 R C -1.267 175.046 176.300 0.021 0.000 1.067 91 R CA -0.648 55.529 56.100 0.129 0.000 1.003 91 R CB 1.782 32.182 30.300 0.166 0.000 1.192 91 R HN 0.777 nan 8.270 nan 0.000 0.488 92 E N 2.003 122.193 120.200 -0.018 0.000 2.406 92 E HA 0.108 4.459 4.350 0.000 0.000 0.297 92 E C -2.016 174.515 176.600 -0.116 0.000 0.917 92 E CA -0.612 55.693 56.400 -0.158 0.000 0.795 92 E CB 0.944 30.637 29.700 -0.012 0.000 1.285 92 E HN 0.570 nan 8.360 nan 0.000 0.400 93 Y N 3.226 123.511 120.300 -0.026 0.000 2.334 93 Y HA 0.503 5.053 4.550 0.000 0.000 0.336 93 Y C -0.108 175.749 175.900 -0.072 0.000 0.960 93 Y CA -1.277 56.798 58.100 -0.042 0.000 1.164 93 Y CB 0.612 39.059 38.460 -0.021 0.000 1.155 93 Y HN 0.288 nan 8.280 nan 0.000 0.478 94 L N 5.489 126.741 121.223 0.049 0.000 2.452 94 L HA 0.190 4.530 4.340 0.000 0.000 0.267 94 L C -1.259 175.651 176.870 0.066 0.000 1.188 94 L CA -1.684 53.148 54.840 -0.014 0.000 0.821 94 L CB 0.904 42.925 42.059 -0.063 0.000 1.102 94 L HN 0.398 nan 8.230 nan 0.000 0.470 95 P HA -0.202 nan 4.420 nan 0.000 0.214 95 P C 1.406 178.737 177.300 0.051 0.000 1.169 95 P CA 1.519 64.660 63.100 0.069 0.000 0.908 95 P CB 0.169 31.912 31.700 0.072 0.000 0.791 96 L N -2.831 118.422 121.223 0.049 0.000 2.599 96 L HA 0.188 4.529 4.340 0.000 0.000 0.230 96 L C 1.630 178.518 176.870 0.030 0.000 1.141 96 L CA 0.722 55.584 54.840 0.037 0.000 0.877 96 L CB -0.853 41.230 42.059 0.041 0.000 1.009 96 L HN 0.231 nan 8.230 nan 0.000 0.447 97 G N -0.721 108.099 108.800 0.034 0.000 2.232 97 G HA2 -0.271 3.689 3.960 0.000 0.000 0.226 97 G HA3 -0.271 3.689 3.960 0.000 0.000 0.226 97 G C 0.280 175.198 174.900 0.029 0.000 0.996 97 G CA -0.476 44.641 45.100 0.027 0.000 0.626 97 G HN 0.403 nan 8.290 nan 0.000 0.509 98 Q N 1.665 121.482 119.800 0.029 0.000 2.388 98 Q HA 0.497 4.837 4.340 0.000 0.000 0.246 98 Q C 1.032 177.039 176.000 0.012 0.000 1.246 98 Q CA 0.659 56.476 55.803 0.024 0.000 0.895 98 Q CB 0.608 29.368 28.738 0.037 0.000 1.510 98 Q HN 0.584 nan 8.270 nan 0.000 0.503 99 G N 2.181 110.991 108.800 0.017 0.000 2.562 99 G HA2 0.542 4.502 3.960 0.000 0.000 0.275 99 G HA3 0.542 4.502 3.960 0.000 0.000 0.275 99 G C -0.592 174.292 174.900 -0.027 0.000 1.196 99 G CA -0.509 44.599 45.100 0.013 0.000 0.908 99 G HN 0.503 nan 8.290 nan 0.000 0.524 100 R N -0.943 119.519 120.500 -0.062 0.000 2.643 100 R HA 0.540 4.881 4.340 0.000 0.000 0.269 100 R C -1.844 174.253 176.300 -0.338 0.000 1.037 100 R CA -0.537 55.450 56.100 -0.189 0.000 0.894 100 R CB 2.462 32.665 30.300 -0.161 0.000 1.238 100 R HN 0.412 nan 8.270 nan 0.000 0.459 101 V N 3.293 122.863 119.914 -0.573 0.000 2.823 101 V HA 0.623 4.744 4.120 0.000 0.000 0.312 101 V C -1.297 174.236 176.094 -0.935 0.000 1.072 101 V CA -0.657 61.290 62.300 -0.588 0.000 0.937 101 V CB 2.088 33.664 31.823 -0.412 0.000 1.013 101 V HN 0.560 nan 8.190 nan 0.000 0.430 102 F N 2.812 122.692 119.950 -0.117 0.000 2.507 102 F HA 0.655 5.182 4.527 0.000 0.000 0.328 102 F C -0.500 175.256 175.800 -0.073 0.000 1.136 102 F CA -0.691 57.282 58.000 -0.046 0.000 0.930 102 F CB 1.201 40.252 39.000 0.084 0.000 1.166 102 F HN 0.317 nan 8.300 nan 0.000 0.436 103 Y N 1.445 121.816 120.300 0.119 0.000 2.403 103 Y HA 0.505 5.055 4.550 0.000 0.000 0.323 103 Y C -0.655 175.190 175.900 -0.091 0.000 1.226 103 Y CA -0.892 57.279 58.100 0.119 0.000 1.235 103 Y CB 1.148 39.624 38.460 0.026 0.000 1.248 103 Y HN 0.480 nan 8.280 nan 0.000 0.489 104 Y N 1.036 121.553 120.300 0.361 0.000 2.640 104 Y HA 0.269 4.820 4.550 0.000 0.000 0.295 104 Y C 0.363 176.473 175.900 0.351 0.000 1.023 104 Y CA -0.732 57.529 58.100 0.269 0.000 1.163 104 Y CB 0.568 39.142 38.460 0.190 0.000 1.145 104 Y HN 0.601 nan 8.280 nan 0.000 0.609 105 R N -1.022 119.726 120.500 0.413 0.000 2.544 105 R HA 0.246 4.586 4.340 0.000 0.000 0.303 105 R C 0.132 176.573 176.300 0.235 0.000 0.939 105 R CA -0.562 55.746 56.100 0.347 0.000 1.102 105 R CB 0.439 30.877 30.300 0.231 0.000 1.440 105 R HN 0.043 nan 8.270 nan 0.000 0.532 106 K N 1.801 122.332 120.400 0.219 0.000 2.436 106 K HA 0.085 4.406 4.320 0.000 0.000 0.282 106 K C 0.328 177.074 176.600 0.242 0.000 1.044 106 K CA 1.509 57.879 56.287 0.138 0.000 1.028 106 K CB 0.267 32.816 32.500 0.082 0.000 0.919 106 K HN 0.475 nan 8.250 nan 0.000 0.474 107 G N 2.600 111.453 108.800 0.090 0.000 2.141 107 G HA2 -0.296 3.664 3.960 0.000 0.000 0.242 107 G HA3 -0.296 3.664 3.960 0.000 0.000 0.242 107 G C -0.003 174.816 174.900 -0.135 0.000 0.982 107 G CA 0.371 45.523 45.100 0.087 0.000 0.662 107 G HN 0.836 nan 8.290 nan 0.000 0.527 108 S N -0.348 115.061 115.700 -0.484 0.000 2.593 108 S HA 0.676 5.147 4.470 0.000 0.000 0.269 108 S C 1.853 176.142 174.600 -0.520 0.000 1.334 108 S CA 0.520 58.065 58.200 -1.092 0.000 1.015 108 S CB 1.717 64.419 63.200 -0.829 0.000 0.912 108 S HN 1.734 nan 8.310 nan 0.000 0.541 109 A N 2.462 124.998 122.820 -0.472 0.000 1.948 109 A HA 0.050 4.371 4.320 0.000 0.000 0.220 109 A C 2.151 179.615 177.584 -0.200 0.000 1.177 109 A CA 1.798 53.690 52.037 -0.243 0.000 0.636 109 A CB -1.710 17.182 19.000 -0.180 0.000 0.815 109 A HN 1.193 nan 8.150 nan 0.000 0.449 110 G N -0.602 108.080 108.800 -0.196 0.000 2.484 110 G HA2 -0.027 3.933 3.960 0.000 0.000 0.218 110 G HA3 -0.027 3.933 3.960 0.000 0.000 0.218 110 G C 1.621 176.442 174.900 -0.131 0.000 1.130 110 G CA 1.294 46.322 45.100 -0.119 0.000 0.784 110 G HN 0.901 nan 8.290 nan 0.000 0.543 111 S N 0.083 115.687 115.700 -0.159 0.000 2.631 111 S HA 0.517 4.987 4.470 0.000 0.000 0.217 111 S C 2.160 176.674 174.600 -0.143 0.000 0.958 111 S CA 0.829 58.942 58.200 -0.144 0.000 0.920 111 S CB 0.306 63.424 63.200 -0.136 0.000 0.776 111 S HN 0.421 nan 8.310 nan 0.000 0.517 112 A N 2.398 125.128 122.820 -0.151 0.000 1.826 112 A HA 0.314 4.634 4.320 0.000 0.000 0.214 112 A C 1.084 178.572 177.584 -0.160 0.000 1.212 112 A CA 0.480 52.436 52.037 -0.135 0.000 0.605 112 A CB -1.063 17.860 19.000 -0.129 0.000 0.861 112 A HN 0.632 nan 8.150 nan 0.000 0.447 113 L N -0.873 120.209 121.223 -0.235 0.000 4.266 113 L HA -0.185 4.155 4.340 0.000 0.000 0.561 113 L C 0.290 177.011 176.870 -0.247 0.000 0.996 113 L CA 0.137 54.737 54.840 -0.400 0.000 0.786 113 L CB -1.196 40.482 42.059 -0.635 0.000 0.591 113 L HN 0.615 nan 8.230 nan 0.000 0.996 114 A N 5.435 128.186 122.820 -0.114 0.000 2.386 114 A HA 0.891 5.211 4.320 0.000 0.000 0.308 114 A C -2.480 175.217 177.584 0.187 0.000 1.128 114 A CA -1.758 50.309 52.037 0.051 0.000 0.789 114 A CB 1.357 20.333 19.000 -0.039 0.000 1.325 114 A HN 0.406 nan 8.150 nan 0.000 0.437 115 P HA 0.216 nan 4.420 nan 0.000 0.263 115 P C 0.949 177.653 177.300 -0.993 0.000 1.175 115 P CA 2.471 65.275 63.100 -0.494 0.000 0.761 115 P CB 0.465 31.855 31.700 -0.517 0.000 0.794 116 G N 2.714 110.225 108.800 -2.148 0.000 2.157 116 G HA2 -0.303 3.657 3.960 0.000 0.000 0.248 116 G HA3 -0.303 3.657 3.960 0.000 0.000 0.248 116 G C 1.158 175.787 174.900 -0.451 0.000 0.979 116 G CA 0.328 44.623 45.100 -1.342 0.000 0.650 116 G HN 0.678 nan 8.290 nan 0.000 0.529 117 A N -0.773 122.007 122.820 -0.067 0.000 2.148 117 A HA 0.382 4.703 4.320 0.000 0.000 0.222 117 A C 0.933 178.678 177.584 0.270 0.000 1.161 117 A CA 2.103 54.245 52.037 0.175 0.000 0.662 117 A CB -0.502 18.670 19.000 0.287 0.000 0.799 117 A HN 1.977 nan 8.150 nan 0.000 0.466 118 F N -3.623 116.432 119.950 0.175 0.000 2.745 118 F HA 0.583 5.111 4.527 0.001 0.000 0.316 118 F C -1.048 174.709 175.800 -0.072 0.000 1.155 118 F CA -1.799 56.142 58.000 -0.099 0.000 0.937 118 F CB 0.606 39.467 39.000 -0.232 0.000 1.361 118 F HN -0.140 nan 8.300 nan 0.000 0.472 119 D N 2.307 122.578 120.400 -0.213 0.000 2.325 119 D HA 0.290 4.930 4.640 0.000 0.000 0.251 119 D C -1.922 174.462 176.300 0.140 0.000 1.196 119 D CA -1.941 52.040 54.000 -0.031 0.000 0.866 119 D CB 1.728 42.611 40.800 0.139 0.000 1.101 119 D HN 0.251 nan 8.370 nan 0.000 0.476 120 P HA -0.151 nan 4.420 nan 0.000 0.217 120 P C 0.753 178.196 177.300 0.238 0.000 1.148 120 P CA 0.908 64.035 63.100 0.045 0.000 0.834 120 P CB 0.296 31.960 31.700 -0.061 0.000 0.783 121 D N -2.142 118.381 120.400 0.206 0.000 2.311 121 D HA -0.195 4.446 4.640 0.000 0.000 0.212 121 D C 1.722 178.197 176.300 0.292 0.000 0.972 121 D CA 0.793 54.911 54.000 0.196 0.000 0.887 121 D CB -0.472 40.424 40.800 0.159 0.000 0.915 121 D HN 0.359 nan 8.370 nan 0.000 0.497 122 Y N 1.432 121.877 120.300 0.241 0.000 2.128 122 Y HA -0.232 4.319 4.550 0.001 0.000 0.284 122 Y C 2.334 178.309 175.900 0.126 0.000 1.154 122 Y CA 0.809 59.039 58.100 0.216 0.000 1.149 122 Y CB -0.099 38.504 38.460 0.238 0.000 0.976 122 Y HN -0.099 nan 8.280 nan 0.000 0.505 123 L N 0.722 122.050 121.223 0.175 0.000 2.261 123 L HA -0.198 4.143 4.340 0.000 0.000 0.216 123 L C 0.951 177.816 176.870 -0.008 0.000 1.114 123 L CA 0.717 55.549 54.840 -0.012 0.000 0.777 123 L CB -0.663 41.420 42.059 0.040 0.000 0.910 123 L HN 0.263 nan 8.230 nan 0.000 0.440 124 E N 0.083 120.315 120.200 0.054 0.000 2.465 124 E HA 0.080 4.430 4.350 0.000 0.000 0.260 124 E C 1.171 177.780 176.600 0.016 0.000 0.980 124 E CA 0.676 57.096 56.400 0.033 0.000 0.927 124 E CB 0.362 30.097 29.700 0.058 0.000 0.934 124 E HN 0.311 nan 8.360 nan 0.000 0.459 125 G N 2.580 111.380 108.800 -0.001 0.000 2.205 125 G HA2 -0.290 3.670 3.960 0.000 0.000 0.261 125 G HA3 -0.290 3.670 3.960 0.000 0.000 0.261 125 G C 0.301 175.193 174.900 -0.014 0.000 0.980 125 G CA 0.222 45.321 45.100 -0.002 0.000 0.632 125 G HN 0.506 nan 8.290 nan 0.000 0.533 126 V N 2.149 122.042 119.914 -0.034 0.000 2.715 126 V HA 0.296 4.417 4.120 0.000 0.000 0.299 126 V C 1.915 177.982 176.094 -0.045 0.000 1.054 126 V CA -0.036 62.239 62.300 -0.041 0.000 1.077 126 V CB 1.334 33.106 31.823 -0.085 0.000 0.972 126 V HN 0.314 nan 8.190 nan 0.000 0.484 127 R N 2.342 122.850 120.500 0.014 0.000 2.057 127 R HA 0.107 4.447 4.340 0.000 0.000 0.229 127 R C -0.146 176.040 176.300 -0.190 0.000 1.136 127 R CA 1.311 57.413 56.100 0.003 0.000 0.952 127 R CB -0.158 30.320 30.300 0.297 0.000 0.848 127 R HN 0.555 nan 8.270 nan 0.000 0.430 128 F N -0.963 118.963 119.950 -0.040 0.000 2.599 128 F HA 0.413 4.940 4.527 0.000 0.000 0.311 128 F C -0.640 175.149 175.800 -0.018 0.000 1.076 128 F CA -1.379 56.612 58.000 -0.014 0.000 0.937 128 F CB 1.360 40.368 39.000 0.014 0.000 1.282 128 F HN -0.243 nan 8.300 nan 0.000 0.460 129 L N 2.388 123.734 121.223 0.205 0.000 2.343 129 L HA 0.521 4.861 4.340 0.000 0.000 0.278 129 L C -1.353 175.636 176.870 0.199 0.000 0.996 129 L CA -0.333 54.578 54.840 0.117 0.000 0.831 129 L CB 0.803 42.874 42.059 0.019 0.000 1.232 129 L HN 0.688 nan 8.230 nan 0.000 0.413 130 H N 4.685 123.822 119.070 0.112 0.000 2.472 130 H HA 0.827 5.383 4.556 0.000 0.000 0.338 130 H C -1.416 173.989 175.328 0.128 0.000 1.133 130 H CA -0.368 55.759 56.048 0.131 0.000 1.216 130 H CB 1.179 30.997 29.762 0.094 0.000 1.497 130 H HN 0.696 nan 8.280 nan 0.000 0.500 131 L N 2.513 123.318 121.223 -0.696 0.000 2.409 131 L HA 0.439 4.779 4.340 0.000 0.000 0.255 131 L C -0.619 175.997 176.870 -0.423 0.000 1.027 131 L CA -1.045 53.576 54.840 -0.366 0.000 0.834 131 L CB 2.267 44.290 42.059 -0.059 0.000 1.426 131 L HN 0.603 nan 8.230 nan 0.000 0.411 132 S N -0.850 114.782 115.700 -0.114 0.000 2.536 132 S HA 0.526 4.996 4.470 0.000 0.000 0.298 132 S C 0.748 175.351 174.600 0.005 0.000 1.083 132 S CA -0.007 58.186 58.200 -0.013 0.000 0.995 132 S CB 1.765 64.996 63.200 0.052 0.000 1.058 132 S HN 0.804 nan 8.310 nan 0.000 0.488 133 G N 2.487 111.316 108.800 0.048 0.000 2.708 133 G HA2 0.043 4.003 3.960 0.000 0.000 0.210 133 G HA3 0.043 4.003 3.960 0.000 0.000 0.210 133 G C 0.925 175.823 174.900 -0.002 0.000 1.141 133 G CA 0.341 45.468 45.100 0.045 0.000 0.788 133 G HN 0.740 nan 8.290 nan 0.000 0.531 134 I N 0.429 120.974 120.570 -0.042 0.000 2.333 134 I HA -0.095 4.075 4.170 0.000 0.000 0.246 134 I C 2.876 178.862 176.117 -0.218 0.000 1.106 134 I CA 1.025 62.249 61.300 -0.126 0.000 1.411 134 I CB -0.440 37.517 38.000 -0.072 0.000 1.082 134 I HN 0.029 nan 8.210 nan 0.000 0.420 135 T N 2.293 116.765 114.554 -0.137 0.000 2.622 135 T HA -0.103 4.248 4.350 0.000 0.000 0.266 135 T C -0.428 174.145 174.700 -0.211 0.000 1.047 135 T CA 1.688 63.715 62.100 -0.121 0.000 1.159 135 T CB -1.607 67.263 68.868 0.002 0.000 0.863 135 T HN 0.303 nan 8.240 nan 0.000 0.422 136 P HA 0.033 nan 4.420 nan 0.000 0.225 136 P C 1.008 177.895 177.300 -0.689 0.000 1.148 136 P CA 1.141 64.032 63.100 -0.348 0.000 0.779 136 P CB -0.122 31.204 31.700 -0.623 0.000 0.780 137 A N -0.483 121.729 122.820 -1.014 0.000 2.123 137 A HA 0.053 4.373 4.320 0.000 0.000 0.214 137 A C 2.321 179.390 177.584 -0.857 0.000 1.152 137 A CA 0.312 51.356 52.037 -1.654 0.000 0.728 137 A CB -1.107 16.688 19.000 -2.009 0.000 0.814 137 A HN 0.098 nan 8.150 nan 0.000 0.464 138 L N -0.049 120.860 121.223 -0.524 0.000 1.976 138 L HA -0.048 4.293 4.340 0.000 0.000 0.209 138 L C 1.364 178.082 176.870 -0.254 0.000 1.071 138 L CA 1.384 56.023 54.840 -0.335 0.000 0.746 138 L CB -0.673 41.245 42.059 -0.235 0.000 0.890 138 L HN 0.575 nan 8.230 nan 0.000 0.432 139 S N -3.571 112.006 115.700 -0.204 0.000 2.596 139 S HA 0.390 4.861 4.470 0.000 0.000 0.270 139 S C -2.464 172.096 174.600 -0.068 0.000 1.155 139 S CA -1.154 56.973 58.200 -0.121 0.000 0.827 139 S CB 1.710 64.857 63.200 -0.087 0.000 1.130 139 S HN -0.259 nan 8.310 nan 0.000 0.467 140 P HA -0.031 nan 4.420 nan 0.000 0.219 140 P C 0.852 178.186 177.300 0.056 0.000 1.146 140 P CA 1.240 64.362 63.100 0.036 0.000 0.808 140 P CB 0.074 31.797 31.700 0.037 0.000 0.779 141 E N -0.102 120.114 120.200 0.027 0.000 2.007 141 E HA -0.163 4.188 4.350 0.000 0.000 0.194 141 E C 2.167 178.831 176.600 0.106 0.000 0.999 141 E CA 1.682 58.106 56.400 0.041 0.000 0.811 141 E CB -1.497 28.198 29.700 -0.009 0.000 0.762 141 E HN 0.075 nan 8.360 nan 0.000 0.450 142 A N 1.150 124.002 122.820 0.054 0.000 1.869 142 A HA -0.335 3.985 4.320 0.000 0.000 0.218 142 A C 2.221 179.942 177.584 0.227 0.000 1.203 142 A CA 2.565 54.663 52.037 0.102 0.000 0.638 142 A CB -0.815 18.163 19.000 -0.036 0.000 0.831 142 A HN 0.220 nan 8.150 nan 0.000 0.450 143 R N -0.318 120.268 120.500 0.143 0.000 2.134 143 R HA -0.219 4.121 4.340 0.000 0.000 0.248 143 R C 2.200 178.704 176.300 0.341 0.000 1.143 143 R CA 2.341 58.602 56.100 0.268 0.000 0.957 143 R CB -0.606 29.840 30.300 0.243 0.000 0.867 143 R HN 0.462 nan 8.270 nan 0.000 0.441 144 A N 0.074 123.044 122.820 0.250 0.000 1.873 144 A HA -0.158 4.163 4.320 0.000 0.000 0.215 144 A C 2.092 179.847 177.584 0.285 0.000 1.186 144 A CA 1.347 53.516 52.037 0.219 0.000 0.616 144 A CB -0.930 18.156 19.000 0.144 0.000 0.823 144 A HN 0.576 nan 8.150 nan 0.000 0.442 145 F N 1.989 122.046 119.950 0.177 0.000 2.063 145 F HA -0.276 4.252 4.527 0.000 0.000 0.298 145 F C 2.518 178.533 175.800 0.359 0.000 1.109 145 F CA 2.169 60.330 58.000 0.268 0.000 1.212 145 F CB -0.550 38.557 39.000 0.179 0.000 0.973 145 F HN 0.235 nan 8.300 nan 0.000 0.480 146 S N 1.592 117.490 115.700 0.330 0.000 2.359 146 S HA -0.266 4.204 4.470 0.000 0.000 0.222 146 S C 2.072 176.736 174.600 0.106 0.000 1.038 146 S CA 1.991 60.330 58.200 0.231 0.000 1.051 146 S CB -1.032 62.425 63.200 0.428 0.000 0.944 146 S HN 0.471 nan 8.310 nan 0.000 0.433 147 L N -0.311 121.017 121.223 0.174 0.000 1.990 147 L HA -0.179 4.161 4.340 0.000 0.000 0.213 147 L C 2.434 179.306 176.870 0.003 0.000 1.072 147 L CA 1.896 56.774 54.840 0.064 0.000 0.755 147 L CB -0.768 41.329 42.059 0.062 0.000 0.889 147 L HN 0.442 nan 8.230 nan 0.000 0.432 148 W N 1.213 122.439 121.300 -0.122 0.000 2.317 148 W HA -0.320 4.340 4.660 0.000 0.000 0.318 148 W C 2.611 178.988 176.519 -0.236 0.000 1.227 148 W CA 2.184 59.423 57.345 -0.177 0.000 1.269 148 W CB -0.502 28.835 29.460 -0.206 0.000 1.155 148 W HN 0.157 nan 8.180 nan 0.000 0.484 149 A N 1.325 123.776 122.820 -0.615 0.000 1.873 149 A HA -0.297 4.023 4.320 0.000 0.000 0.218 149 A C 2.185 179.462 177.584 -0.512 0.000 1.193 149 A CA 3.150 54.703 52.037 -0.808 0.000 0.629 149 A CB -1.359 17.267 19.000 -0.624 0.000 0.826 149 A HN 0.624 nan 8.150 nan 0.000 0.447 150 M N -1.808 117.621 119.600 -0.285 0.000 2.319 150 M HA 0.019 4.499 4.480 0.000 0.000 0.265 150 M C 1.773 177.945 176.300 -0.213 0.000 1.068 150 M CA 2.115 57.305 55.300 -0.184 0.000 1.118 150 M CB -0.553 32.001 32.600 -0.078 0.000 1.395 150 M HN 0.485 nan 8.290 nan 0.000 0.435 151 E N 1.216 121.258 120.200 -0.262 0.000 2.038 151 E HA -0.257 4.094 4.350 0.000 0.000 0.195 151 E C 1.915 178.349 176.600 -0.277 0.000 1.000 151 E CA 1.869 58.133 56.400 -0.226 0.000 0.803 151 E CB 0.044 29.617 29.700 -0.210 0.000 0.750 151 E HN 0.580 nan 8.360 nan 0.000 0.448 152 E N -0.053 119.864 120.200 -0.472 0.000 2.110 152 E HA -0.136 4.214 4.350 0.000 0.000 0.193 152 E C 1.627 178.070 176.600 -0.261 0.000 0.988 152 E CA 1.224 57.361 56.400 -0.439 0.000 0.804 152 E CB -0.161 29.068 29.700 -0.785 0.000 0.745 152 E HN 0.343 nan 8.360 nan 0.000 0.458 153 A N 0.486 123.163 122.820 -0.238 0.000 1.898 153 A HA -0.170 4.150 4.320 0.000 0.000 0.216 153 A C 2.085 179.592 177.584 -0.128 0.000 1.181 153 A CA 1.819 53.767 52.037 -0.148 0.000 0.620 153 A CB -0.482 18.443 19.000 -0.125 0.000 0.819 153 A HN 0.186 nan 8.150 nan 0.000 0.442 154 K N 0.108 120.428 120.400 -0.132 0.000 2.009 154 K HA -0.178 4.142 4.320 0.000 0.000 0.210 154 K C 2.199 178.741 176.600 -0.096 0.000 1.049 154 K CA 1.888 58.112 56.287 -0.106 0.000 0.929 154 K CB -0.317 32.124 32.500 -0.098 0.000 0.714 154 K HN 0.353 nan 8.250 nan 0.000 0.440 155 R N 0.046 120.483 120.500 -0.104 0.000 2.261 155 R HA -0.103 4.237 4.340 0.000 0.000 0.236 155 R C 1.395 177.654 176.300 -0.069 0.000 1.141 155 R CA 1.510 57.560 56.100 -0.083 0.000 1.001 155 R CB 0.002 30.246 30.300 -0.094 0.000 0.866 155 R HN 0.130 nan 8.270 nan 0.000 0.468 156 R N -1.309 119.144 120.500 -0.078 0.000 2.509 156 R HA 0.122 4.462 4.340 0.000 0.000 0.300 156 R C 0.167 176.428 176.300 -0.065 0.000 0.985 156 R CA 0.557 56.621 56.100 -0.059 0.000 1.092 156 R CB 0.957 31.227 30.300 -0.051 0.000 1.237 156 R HN 0.399 nan 8.270 nan 0.000 0.546 157 G N 0.919 109.672 108.800 -0.078 0.000 2.221 157 G HA2 -0.235 3.725 3.960 0.000 0.000 0.265 157 G HA3 -0.235 3.725 3.960 0.000 0.000 0.265 157 G C -0.166 174.660 174.900 -0.123 0.000 1.041 157 G CA 0.289 45.335 45.100 -0.089 0.000 0.807 157 G HN 0.148 nan 8.290 nan 0.000 0.502 158 V N 1.456 121.291 119.914 -0.131 0.000 2.394 158 V HA 0.437 4.557 4.120 0.000 0.000 0.282 158 V C 1.061 177.028 176.094 -0.212 0.000 1.031 158 V CA -1.114 61.085 62.300 -0.168 0.000 0.881 158 V CB 1.446 33.197 31.823 -0.120 0.000 0.982 158 V HN 0.371 nan 8.190 nan 0.000 0.451 159 R N 2.966 123.236 120.500 -0.384 0.000 2.489 159 R HA 0.269 4.609 4.340 0.000 0.000 0.287 159 R C -0.707 175.519 176.300 -0.124 0.000 1.053 159 R CA -0.217 55.636 56.100 -0.410 0.000 1.036 159 R CB 0.973 30.628 30.300 -1.075 0.000 0.966 159 R HN 0.477 nan 8.270 nan 0.000 0.432 160 V N 2.673 122.580 119.914 -0.012 0.000 2.364 160 V HA 0.093 4.213 4.120 0.000 0.000 0.272 160 V C 0.452 176.660 176.094 0.189 0.000 1.036 160 V CA -0.174 62.174 62.300 0.081 0.000 0.880 160 V CB 1.414 33.255 31.823 0.029 0.000 0.991 160 V HN 0.736 nan 8.190 nan 0.000 0.460 161 S N 5.930 121.807 115.700 0.295 0.000 2.451 161 S HA 0.793 5.263 4.470 0.000 0.000 0.301 161 S C -1.052 173.725 174.600 0.296 0.000 1.116 161 S CA -0.579 57.866 58.200 0.408 0.000 1.093 161 S CB 1.224 64.805 63.200 0.635 0.000 1.017 161 S HN 0.630 nan 8.310 nan 0.000 0.482 162 L N 4.229 125.642 121.223 0.316 0.000 2.438 162 L HA 0.654 4.994 4.340 0.000 0.000 0.270 162 L C -1.414 175.671 176.870 0.359 0.000 0.972 162 L CA -0.301 54.653 54.840 0.190 0.000 0.831 162 L CB 2.063 44.218 42.059 0.160 0.000 1.273 162 L HN 0.656 nan 8.230 nan 0.000 0.405 163 D N 4.036 124.606 120.400 0.285 0.000 2.412 163 D HA 0.228 4.868 4.640 0.000 0.000 0.224 163 D C 1.146 177.571 176.300 0.208 0.000 1.093 163 D CA -0.245 53.955 54.000 0.333 0.000 0.850 163 D CB 1.512 42.481 40.800 0.281 0.000 1.046 163 D HN 0.433 nan 8.370 nan 0.000 0.507 164 V N 3.992 124.035 119.914 0.214 0.000 2.226 164 V HA -0.350 3.771 4.120 0.000 0.000 0.254 164 V C 0.969 177.174 176.094 0.184 0.000 1.065 164 V CA 1.688 64.102 62.300 0.190 0.000 1.039 164 V CB -0.902 31.026 31.823 0.174 0.000 0.653 164 V HN 0.801 nan 8.190 nan 0.000 0.450 165 N N -0.177 118.623 118.700 0.167 0.000 2.642 165 N HA -0.242 4.498 4.740 0.000 0.000 0.269 165 N C -0.535 175.082 175.510 0.180 0.000 1.073 165 N CA 0.698 53.833 53.050 0.141 0.000 0.748 165 N CB -1.035 37.510 38.487 0.097 0.000 0.894 165 N HN 0.738 nan 8.380 nan 0.000 0.548 166 Y N 1.418 121.779 120.300 0.102 0.000 2.496 166 Y HA 0.168 4.718 4.550 0.000 0.000 0.334 166 Y C 0.390 176.364 175.900 0.124 0.000 1.080 166 Y CA -0.074 58.103 58.100 0.128 0.000 1.355 166 Y CB 0.520 39.012 38.460 0.053 0.000 1.193 166 Y HN 0.033 nan 8.280 nan 0.000 0.523 167 R N 6.566 126.746 120.500 -0.532 0.000 2.246 167 R HA 0.140 4.480 4.340 0.000 0.000 0.332 167 R C 0.698 176.476 176.300 -0.870 0.000 0.974 167 R CA -0.321 55.463 56.100 -0.527 0.000 0.837 167 R CB 1.282 31.411 30.300 -0.286 0.000 1.145 167 R HN 0.926 nan 8.270 nan 0.000 0.467 168 Q N 0.368 119.707 119.800 -0.768 0.000 2.170 168 Q HA -0.106 4.234 4.340 0.000 0.000 0.203 168 Q C 0.946 176.866 176.000 -0.133 0.000 0.976 168 Q CA 1.636 57.232 55.803 -0.344 0.000 0.858 168 Q CB 0.078 28.835 28.738 0.032 0.000 0.907 168 Q HN 0.492 nan 8.270 nan 0.000 0.433 169 T N 1.671 116.123 114.554 -0.170 0.000 2.759 169 T HA -0.098 4.252 4.350 0.000 0.000 0.269 169 T C 1.842 176.442 174.700 -0.168 0.000 1.042 169 T CA 0.964 62.974 62.100 -0.150 0.000 1.140 169 T CB -0.089 68.645 68.868 -0.224 0.000 0.864 169 T HN 0.209 nan 8.240 nan 0.000 0.455 170 L N -1.090 120.002 121.223 -0.218 0.000 2.162 170 L HA 0.172 4.512 4.340 0.000 0.000 0.205 170 L C 0.870 177.721 176.870 -0.032 0.000 1.086 170 L CA 0.346 55.032 54.840 -0.255 0.000 0.778 170 L CB -0.116 41.641 42.059 -0.504 0.000 0.928 170 L HN 0.467 nan 8.230 nan 0.000 0.446 171 W N -1.587 119.633 121.300 -0.134 0.000 2.895 171 W HA 0.478 5.138 4.660 0.000 0.000 0.377 171 W C -0.530 176.085 176.519 0.161 0.000 1.191 171 W CA -1.951 55.397 57.345 0.005 0.000 1.179 171 W CB -0.162 29.317 29.460 0.032 0.000 1.469 171 W HN -0.156 nan 8.180 nan 0.000 0.577 172 S N 0.041 115.926 115.700 0.308 0.000 2.632 172 S HA 0.488 4.959 4.470 0.000 0.000 0.271 172 S C -1.871 172.683 174.600 -0.077 0.000 1.260 172 S CA -0.797 57.486 58.200 0.140 0.000 1.010 172 S CB 2.205 65.439 63.200 0.057 0.000 0.965 172 S HN 0.241 nan 8.310 nan 0.000 0.534 173 P HA -0.044 nan 4.420 nan 0.000 0.220 173 P C 0.793 177.873 177.300 -0.366 0.000 1.148 173 P CA 1.086 63.897 63.100 -0.482 0.000 0.803 173 P CB 0.056 31.498 31.700 -0.431 0.000 0.782 174 E N -0.129 119.927 120.200 -0.240 0.000 2.028 174 E HA -0.160 4.190 4.350 0.000 0.000 0.190 174 E C 1.940 178.423 176.600 -0.194 0.000 0.984 174 E CA 1.174 57.460 56.400 -0.190 0.000 0.800 174 E CB -0.846 28.788 29.700 -0.110 0.000 0.758 174 E HN 0.354 nan 8.360 nan 0.000 0.448 175 E N 0.687 120.778 120.200 -0.181 0.000 2.058 175 E HA -0.225 4.125 4.350 0.000 0.000 0.194 175 E C 2.076 178.377 176.600 -0.499 0.000 0.997 175 E CA 1.111 57.411 56.400 -0.167 0.000 0.801 175 E CB -0.247 29.481 29.700 0.047 0.000 0.746 175 E HN 0.277 nan 8.360 nan 0.000 0.450 176 A N 1.442 123.700 122.820 -0.936 0.000 1.865 176 A HA -0.257 4.063 4.320 0.000 0.000 0.217 176 A C 2.099 179.480 177.584 -0.338 0.000 1.191 176 A CA 1.735 53.164 52.037 -1.013 0.000 0.623 176 A CB -0.546 18.003 19.000 -0.753 0.000 0.826 176 A HN 0.076 nan 8.150 nan 0.000 0.444 177 R N -1.123 119.209 120.500 -0.280 0.000 2.094 177 R HA -0.160 4.181 4.340 0.000 0.000 0.239 177 R C 2.425 178.690 176.300 -0.058 0.000 1.137 177 R CA 1.522 57.530 56.100 -0.154 0.000 0.943 177 R CB -0.830 29.313 30.300 -0.262 0.000 0.850 177 R HN 0.562 nan 8.270 nan 0.000 0.433 178 G N 0.266 109.023 108.800 -0.072 0.000 2.476 178 G HA2 -0.337 3.624 3.960 0.000 0.000 0.218 178 G HA3 -0.337 3.624 3.960 0.000 0.000 0.218 178 G C 1.258 176.183 174.900 0.042 0.000 1.164 178 G CA 0.879 45.974 45.100 -0.009 0.000 0.768 178 G HN 0.338 nan 8.290 nan 0.000 0.560 179 F N 1.293 121.226 119.950 -0.028 0.000 2.046 179 F HA -0.089 4.438 4.527 0.000 0.000 0.297 179 F C 2.607 178.449 175.800 0.070 0.000 1.123 179 F CA 1.598 59.646 58.000 0.079 0.000 1.199 179 F CB -0.340 38.771 39.000 0.186 0.000 0.972 179 F HN 0.061 nan 8.300 nan 0.000 0.474 180 L N 0.169 121.555 121.223 0.271 0.000 1.990 180 L HA -0.289 4.051 4.340 0.000 0.000 0.213 180 L C 2.411 179.301 176.870 0.033 0.000 1.072 180 L CA 2.095 57.049 54.840 0.190 0.000 0.755 180 L CB -1.064 41.125 42.059 0.216 0.000 0.889 180 L HN 0.221 nan 8.230 nan 0.000 0.432 181 E N -0.476 119.742 120.200 0.031 0.000 2.171 181 E HA -0.268 4.082 4.350 0.000 0.000 0.197 181 E C 2.318 178.888 176.600 -0.052 0.000 0.997 181 E CA 1.066 57.470 56.400 0.006 0.000 0.810 181 E CB -0.113 29.595 29.700 0.012 0.000 0.738 181 E HN 0.333 nan 8.360 nan 0.000 0.467 182 R N -0.062 120.367 120.500 -0.119 0.000 2.127 182 R HA 0.032 4.372 4.340 0.000 0.000 0.217 182 R C 1.981 178.154 176.300 -0.211 0.000 1.074 182 R CA 0.921 56.923 56.100 -0.164 0.000 0.991 182 R CB 0.106 30.279 30.300 -0.212 0.000 0.895 182 R HN 0.117 nan 8.270 nan 0.000 0.450 183 A N 0.986 123.637 122.820 -0.281 0.000 1.911 183 A HA -0.038 4.283 4.320 0.000 0.000 0.212 183 A C 1.858 179.402 177.584 -0.067 0.000 1.189 183 A CA 0.229 52.132 52.037 -0.222 0.000 0.639 183 A CB -0.431 18.387 19.000 -0.302 0.000 0.839 183 A HN 0.298 nan 8.150 nan 0.000 0.449 184 L N 1.102 122.310 121.223 -0.025 0.000 2.054 184 L HA -0.159 4.181 4.340 0.000 0.000 0.220 184 L C -0.786 176.077 176.870 -0.011 0.000 1.081 184 L CA 2.815 57.656 54.840 0.002 0.000 0.780 184 L CB -1.951 40.111 42.059 0.005 0.000 0.893 184 L HN 0.152 nan 8.230 nan 0.000 0.438 185 P HA -0.139 nan 4.420 nan 0.000 0.218 185 P C 1.311 178.595 177.300 -0.027 0.000 1.152 185 P CA 2.022 65.106 63.100 -0.027 0.000 0.857 185 P CB -0.395 31.284 31.700 -0.036 0.000 0.787 186 G N -1.724 107.057 108.800 -0.030 0.000 3.141 186 G HA2 0.161 4.121 3.960 0.000 0.000 0.218 186 G HA3 0.161 4.121 3.960 0.000 0.000 0.218 186 G C 0.060 174.953 174.900 -0.012 0.000 1.170 186 G CA -0.021 45.060 45.100 -0.031 0.000 0.769 186 G HN 0.141 nan 8.290 nan 0.000 0.546 187 V N 1.071 120.988 119.914 0.006 0.000 2.439 187 V HA 0.280 4.400 4.120 0.000 0.000 0.282 187 V C 0.135 176.244 176.094 0.025 0.000 1.039 187 V CA -0.473 61.846 62.300 0.031 0.000 0.913 187 V CB 1.744 33.598 31.823 0.052 0.000 0.983 187 V HN 0.116 nan 8.190 nan 0.000 0.460 188 D N 2.550 122.975 120.400 0.040 0.000 2.379 188 D HA 0.205 4.846 4.640 0.000 0.000 0.218 188 D C -0.043 176.298 176.300 0.069 0.000 1.006 188 D CA 0.369 54.392 54.000 0.038 0.000 0.893 188 D CB 0.607 41.417 40.800 0.015 0.000 1.019 188 D HN 0.304 nan 8.370 nan 0.000 0.503 189 L N 1.167 122.451 121.223 0.103 0.000 2.406 189 L HA 0.483 4.823 4.340 0.000 0.000 0.272 189 L C -1.873 175.011 176.870 0.024 0.000 0.980 189 L CA -0.998 53.883 54.840 0.068 0.000 0.831 189 L CB 1.791 43.956 42.059 0.176 0.000 1.253 189 L HN -0.181 nan 8.230 nan 0.000 0.406 190 L N 5.092 126.258 121.223 -0.095 0.000 2.362 190 L HA 0.671 5.012 4.340 0.000 0.000 0.275 190 L C -1.493 175.276 176.870 -0.167 0.000 0.998 190 L CA -0.016 54.799 54.840 -0.040 0.000 0.820 190 L CB 1.529 43.586 42.059 -0.003 0.000 1.270 190 L HN 0.431 nan 8.230 nan 0.000 0.415 191 F N 6.050 126.062 119.950 0.104 0.000 2.420 191 F HA 0.705 5.232 4.527 0.000 0.000 0.342 191 F C -0.289 175.551 175.800 0.067 0.000 1.113 191 F CA -0.513 57.545 58.000 0.097 0.000 1.059 191 F CB 1.786 40.881 39.000 0.157 0.000 1.128 191 F HN 0.389 nan 8.300 nan 0.000 0.475 192 L N 2.708 124.044 121.223 0.189 0.000 2.465 192 L HA 0.684 5.024 4.340 0.000 0.000 0.257 192 L C -0.701 176.190 176.870 0.035 0.000 0.988 192 L CA -0.476 54.417 54.840 0.088 0.000 0.827 192 L CB 2.205 44.264 42.059 0.000 0.000 1.397 192 L HN 0.550 nan 8.230 nan 0.000 0.410 193 S N 1.709 117.418 115.700 0.017 0.000 2.638 193 S HA 0.510 4.980 4.470 0.000 0.000 0.298 193 S C 0.594 175.165 174.600 -0.048 0.000 1.111 193 S CA -0.325 57.857 58.200 -0.029 0.000 1.027 193 S CB 1.479 64.670 63.200 -0.014 0.000 1.064 193 S HN 0.770 nan 8.310 nan 0.000 0.525 194 E N 1.049 121.201 120.200 -0.080 0.000 2.038 194 E HA -0.206 4.144 4.350 0.000 0.000 0.195 194 E C 1.661 178.236 176.600 -0.043 0.000 1.000 194 E CA 1.914 58.265 56.400 -0.082 0.000 0.803 194 E CB -0.203 29.430 29.700 -0.111 0.000 0.750 194 E HN 0.809 nan 8.360 nan 0.000 0.448 195 E N 0.978 121.160 120.200 -0.029 0.000 2.070 195 E HA -0.216 4.134 4.350 0.000 0.000 0.197 195 E C 1.911 178.515 176.600 0.007 0.000 1.004 195 E CA 1.399 57.795 56.400 -0.007 0.000 0.805 195 E CB -0.157 29.547 29.700 0.007 0.000 0.744 195 E HN 0.318 nan 8.360 nan 0.000 0.451 196 E N 0.397 120.611 120.200 0.022 0.000 2.085 196 E HA -0.211 4.139 4.350 0.000 0.000 0.194 196 E C 2.140 178.760 176.600 0.033 0.000 0.994 196 E CA 1.051 57.473 56.400 0.037 0.000 0.801 196 E CB -0.238 29.507 29.700 0.075 0.000 0.743 196 E HN 0.310 nan 8.360 nan 0.000 0.453 197 A N 1.438 124.272 122.820 0.022 0.000 1.902 197 A HA -0.241 4.079 4.320 0.000 0.000 0.217 197 A C 2.008 179.648 177.584 0.093 0.000 1.181 197 A CA 1.469 53.532 52.037 0.042 0.000 0.623 197 A CB -0.406 18.562 19.000 -0.053 0.000 0.818 197 A HN 0.162 nan 8.150 nan 0.000 0.443 198 E N -0.605 119.613 120.200 0.030 0.000 2.031 198 E HA -0.149 4.201 4.350 0.000 0.000 0.193 198 E C 1.914 178.516 176.600 0.003 0.000 0.994 198 E CA 1.058 57.470 56.400 0.021 0.000 0.800 198 E CB -0.234 29.464 29.700 -0.004 0.000 0.752 198 E HN 0.573 nan 8.360 nan 0.000 0.447 199 L N 0.380 121.589 121.223 -0.024 0.000 2.353 199 L HA -0.157 4.183 4.340 0.000 0.000 0.220 199 L C 1.454 178.226 176.870 -0.164 0.000 1.133 199 L CA 0.699 55.487 54.840 -0.087 0.000 0.798 199 L CB 0.215 42.218 42.059 -0.094 0.000 0.922 199 L HN 0.141 nan 8.230 nan 0.000 0.445 200 L N -3.060 118.105 121.223 -0.098 0.000 2.920 200 L HA 0.154 4.494 4.340 0.000 0.000 0.257 200 L C 0.146 176.747 176.870 -0.448 0.000 1.150 200 L CA -0.035 54.667 54.840 -0.231 0.000 0.959 200 L CB 0.717 42.689 42.059 -0.145 0.000 1.321 200 L HN -0.028 nan 8.230 nan 0.000 0.555 201 F N -1.207 118.681 119.950 -0.104 0.000 2.936 201 F HA 0.445 4.972 4.527 0.000 0.000 0.334 201 F C 1.555 177.318 175.800 -0.061 0.000 1.170 201 F CA 0.143 58.097 58.000 -0.077 0.000 1.104 201 F CB 0.744 39.703 39.000 -0.068 0.000 1.216 201 F HN -0.036 nan 8.300 nan 0.000 0.518 202 G N 1.143 109.964 108.800 0.035 0.000 3.548 202 G HA2 -0.317 3.643 3.960 0.000 0.000 0.224 202 G HA3 -0.317 3.643 3.960 0.000 0.000 0.224 202 G C 0.686 175.608 174.900 0.037 0.000 1.351 202 G CA 0.269 45.379 45.100 0.017 0.000 0.905 202 G HN 0.319 nan 8.290 nan 0.000 0.561 203 R N -0.693 119.847 120.500 0.068 0.000 2.795 203 R HA 0.540 4.880 4.340 0.000 0.000 0.275 203 R C 1.322 177.645 176.300 0.039 0.000 0.981 203 R CA -0.294 55.832 56.100 0.044 0.000 0.917 203 R CB 2.061 32.383 30.300 0.037 0.000 1.202 203 R HN 0.130 nan 8.270 nan 0.000 0.469 204 V N 1.396 121.313 119.914 0.005 0.000 3.026 204 V HA -0.186 3.934 4.120 0.000 0.000 0.265 204 V C 1.434 177.508 176.094 -0.033 0.000 1.121 204 V CA 1.657 63.938 62.300 -0.031 0.000 1.142 204 V CB -0.653 31.143 31.823 -0.045 0.000 0.730 204 V HN 0.745 nan 8.190 nan 0.000 0.503 205 E N 0.259 120.462 120.200 0.005 0.000 2.030 205 E HA -0.139 4.212 4.350 0.000 0.000 0.189 205 E C 2.274 178.862 176.600 -0.019 0.000 0.974 205 E CA 0.895 57.303 56.400 0.014 0.000 0.807 205 E CB -0.187 29.538 29.700 0.041 0.000 0.771 205 E HN 0.489 nan 8.360 nan 0.000 0.451 206 E N 1.041 121.250 120.200 0.015 0.000 2.058 206 E HA -0.200 4.150 4.350 0.000 0.000 0.194 206 E C 1.828 178.365 176.600 -0.106 0.000 0.997 206 E CA 1.573 57.994 56.400 0.035 0.000 0.801 206 E CB -0.494 29.296 29.700 0.149 0.000 0.746 206 E HN 0.236 nan 8.360 nan 0.000 0.450 207 A N 0.768 123.442 122.820 -0.243 0.000 1.915 207 A HA -0.242 4.078 4.320 0.000 0.000 0.220 207 A C 2.440 179.645 177.584 -0.632 0.000 1.198 207 A CA 2.006 53.502 52.037 -0.902 0.000 0.647 207 A CB -1.026 17.632 19.000 -0.570 0.000 0.825 207 A HN 0.381 nan 8.150 nan 0.000 0.456 208 L N -1.592 119.420 121.223 -0.352 0.000 2.046 208 L HA -0.191 4.149 4.340 0.000 0.000 0.208 208 L C 2.808 179.557 176.870 -0.201 0.000 1.077 208 L CA 1.854 56.520 54.840 -0.290 0.000 0.747 208 L CB -0.481 41.441 42.059 -0.228 0.000 0.896 208 L HN 0.481 nan 8.230 nan 0.000 0.432 209 R N 0.188 120.603 120.500 -0.142 0.000 2.066 209 R HA -0.141 4.199 4.340 0.000 0.000 0.232 209 R C 2.356 178.607 176.300 -0.082 0.000 1.131 209 R CA 1.392 57.449 56.100 -0.072 0.000 0.955 209 R CB -0.207 30.078 30.300 -0.024 0.000 0.851 209 R HN 0.323 nan 8.270 nan 0.000 0.432 210 A N 1.113 123.857 122.820 -0.126 0.000 1.841 210 A HA -0.013 4.307 4.320 0.000 0.000 0.214 210 A C 1.276 178.786 177.584 -0.124 0.000 1.195 210 A CA 0.869 52.861 52.037 -0.076 0.000 0.611 210 A CB -0.380 18.633 19.000 0.022 0.000 0.835 210 A HN 0.303 nan 8.150 nan 0.000 0.443 211 L N 2.177 123.237 121.223 -0.270 0.000 2.466 211 L HA 0.176 4.516 4.340 0.000 0.000 0.248 211 L C -0.034 176.745 176.870 -0.151 0.000 1.240 211 L CA -0.256 54.469 54.840 -0.193 0.000 1.180 211 L CB -0.042 41.861 42.059 -0.260 0.000 1.413 211 L HN 0.361 nan 8.230 nan 0.000 0.406 212 S N 0.306 115.950 115.700 -0.093 0.000 3.170 212 S HA 0.608 5.078 4.470 0.000 0.000 0.257 212 S C 0.356 174.936 174.600 -0.035 0.000 1.284 212 S CA -0.764 57.398 58.200 -0.063 0.000 0.973 212 S CB 0.935 64.113 63.200 -0.037 0.000 1.330 212 S HN 0.446 nan 8.310 nan 0.000 0.493 213 A N 3.660 126.457 122.820 -0.037 0.000 2.286 213 A HA 0.689 5.010 4.320 0.000 0.000 0.286 213 A C -1.106 176.481 177.584 0.005 0.000 1.097 213 A CA -1.998 50.030 52.037 -0.014 0.000 0.821 213 A CB -0.126 18.867 19.000 -0.013 0.000 1.076 213 A HN 0.487 nan 8.150 nan 0.000 0.490 214 P HA -0.182 nan 4.420 nan 0.000 0.220 214 P C 0.211 177.539 177.300 0.046 0.000 1.155 214 P CA 1.858 64.974 63.100 0.027 0.000 0.880 214 P CB 0.288 32.001 31.700 0.022 0.000 0.790 215 E N -1.135 119.091 120.200 0.043 0.000 2.278 215 E HA 0.425 4.775 4.350 0.000 0.000 0.272 215 E C -1.820 174.777 176.600 -0.005 0.000 0.890 215 E CA -0.664 55.770 56.400 0.056 0.000 0.770 215 E CB 1.537 31.287 29.700 0.084 0.000 1.212 215 E HN -0.352 nan 8.360 nan 0.000 0.415 216 V N 4.049 123.968 119.914 0.009 0.000 2.638 216 V HA 0.470 4.590 4.120 0.000 0.000 0.306 216 V C -0.687 175.370 176.094 -0.061 0.000 1.052 216 V CA -0.857 61.388 62.300 -0.091 0.000 0.885 216 V CB 1.864 33.599 31.823 -0.147 0.000 0.999 216 V HN 0.512 nan 8.190 nan 0.000 0.424 217 V N 5.377 125.178 119.914 -0.188 0.000 2.448 217 V HA 0.519 4.639 4.120 0.000 0.000 0.295 217 V C -0.599 175.493 176.094 -0.004 0.000 1.025 217 V CA -0.616 61.624 62.300 -0.100 0.000 0.859 217 V CB 1.788 33.405 31.823 -0.345 0.000 0.988 217 V HN 0.679 nan 8.190 nan 0.000 0.431 218 L N 5.950 127.209 121.223 0.059 0.000 2.280 218 L HA 0.538 4.878 4.340 0.000 0.000 0.287 218 L C 0.063 176.905 176.870 -0.047 0.000 1.023 218 L CA -0.221 54.613 54.840 -0.010 0.000 0.819 218 L CB 0.986 43.006 42.059 -0.065 0.000 1.212 218 L HN 0.566 nan 8.230 nan 0.000 0.420 219 K N 5.610 125.958 120.400 -0.088 0.000 2.322 219 K HA 0.350 4.671 4.320 0.000 0.000 0.283 219 K C -0.364 176.108 176.600 -0.214 0.000 1.042 219 K CA -0.019 56.133 56.287 -0.224 0.000 0.958 219 K CB 0.616 32.968 32.500 -0.246 0.000 0.984 219 K HN 0.531 nan 8.250 nan 0.000 0.473 220 R N 2.429 122.778 120.500 -0.251 0.000 2.886 220 R HA 0.179 4.520 4.340 0.000 0.000 0.306 220 R C 0.488 176.673 176.300 -0.191 0.000 1.300 220 R CA -0.270 55.681 56.100 -0.248 0.000 1.441 220 R CB 0.848 30.925 30.300 -0.372 0.000 1.328 220 R HN 0.982 nan 8.270 nan 0.000 0.629 221 G N 1.512 110.215 108.800 -0.162 0.000 2.594 221 G HA2 -0.450 3.510 3.960 0.000 0.000 0.297 221 G HA3 -0.450 3.510 3.960 0.000 0.000 0.297 221 G C 0.793 175.633 174.900 -0.101 0.000 1.273 221 G CA 0.238 45.267 45.100 -0.118 0.000 0.974 221 G HN 0.486 nan 8.290 nan 0.000 0.552 222 A N -0.308 122.476 122.820 -0.061 0.000 2.238 222 A HA 0.308 4.628 4.320 0.000 0.000 0.208 222 A C 1.628 179.190 177.584 -0.037 0.000 1.177 222 A CA 1.629 53.654 52.037 -0.020 0.000 0.804 222 A CB -0.198 18.804 19.000 0.003 0.000 0.823 222 A HN 0.547 nan 8.150 nan 0.000 0.482 223 K N 0.672 121.025 120.400 -0.078 0.000 2.911 223 K HA 0.343 4.664 4.320 0.000 0.000 0.239 223 K C 1.174 177.715 176.600 -0.100 0.000 1.090 223 K CA 0.238 56.471 56.287 -0.089 0.000 1.225 223 K CB -0.478 31.949 32.500 -0.121 0.000 1.087 223 K HN 0.509 nan 8.250 nan 0.000 0.464 224 G N 1.424 110.185 108.800 -0.065 0.000 2.556 224 G HA2 -0.223 3.737 3.960 0.000 0.000 0.283 224 G HA3 -0.223 3.737 3.960 0.000 0.000 0.283 224 G C -0.257 174.602 174.900 -0.068 0.000 1.177 224 G CA -0.287 44.799 45.100 -0.022 0.000 0.978 224 G HN 0.713 nan 8.290 nan 0.000 0.554 225 A N -2.962 119.850 122.820 -0.014 0.000 2.489 225 A HA 0.566 4.886 4.320 0.000 0.000 0.293 225 A C -1.969 175.754 177.584 0.233 0.000 1.004 225 A CA 0.373 52.384 52.037 -0.044 0.000 0.626 225 A CB 0.337 19.348 19.000 0.017 0.000 1.345 225 A HN 1.734 nan 8.150 nan 0.000 0.447 226 W N -0.083 121.307 121.300 0.151 0.000 2.785 226 W HA 0.737 5.397 4.660 0.000 0.000 0.333 226 W C 0.101 176.796 176.519 0.293 0.000 1.062 226 W CA -0.853 56.617 57.345 0.207 0.000 1.233 226 W CB 1.922 31.590 29.460 0.347 0.000 1.413 226 W HN 1.306 nan 8.180 nan 0.000 0.489 227 A N 3.233 126.266 122.820 0.355 0.000 2.304 227 A HA 0.852 5.172 4.320 0.000 0.000 0.323 227 A C -1.589 176.101 177.584 0.177 0.000 1.195 227 A CA -0.521 51.683 52.037 0.277 0.000 0.826 227 A CB 0.352 19.457 19.000 0.175 0.000 1.184 227 A HN 0.454 nan 8.150 nan 0.000 0.496 228 F N 2.900 122.867 119.950 0.029 0.000 2.359 228 F HA 0.476 5.003 4.527 0.000 0.000 0.370 228 F C -0.206 175.599 175.800 0.010 0.000 1.077 228 F CA -0.575 57.433 58.000 0.013 0.000 1.136 228 F CB 1.744 40.750 39.000 0.009 0.000 1.387 228 F HN 0.379 nan 8.300 nan 0.000 0.468 229 V N -0.685 119.281 119.914 0.087 0.000 2.760 229 V HA 0.455 4.576 4.120 0.000 0.000 0.309 229 V C -0.903 175.205 176.094 0.023 0.000 1.077 229 V CA -1.496 60.847 62.300 0.071 0.000 0.910 229 V CB 1.690 33.560 31.823 0.078 0.000 1.008 229 V HN 0.596 nan 8.190 nan 0.000 0.424 230 D N 2.736 123.153 120.400 0.028 0.000 2.746 230 D HA -0.128 4.512 4.640 0.000 0.000 0.241 230 D C 1.417 177.712 176.300 -0.008 0.000 1.140 230 D CA 1.850 55.855 54.000 0.008 0.000 0.707 230 D CB -1.356 39.444 40.800 0.001 0.000 1.034 230 D HN 1.855 nan 8.370 nan 0.000 0.423 231 G N -0.420 108.383 108.800 0.006 0.000 2.230 231 G HA2 -0.439 3.522 3.960 0.000 0.000 0.270 231 G HA3 -0.439 3.522 3.960 0.000 0.000 0.270 231 G C 0.571 175.432 174.900 -0.066 0.000 0.987 231 G CA 1.094 46.189 45.100 -0.008 0.000 0.664 231 G HN 0.731 nan 8.290 nan 0.000 0.539 232 R N -0.168 120.277 120.500 -0.092 0.000 2.549 232 R HA 0.669 5.009 4.340 0.000 0.000 0.267 232 R C 0.087 176.189 176.300 -0.330 0.000 1.045 232 R CA -0.855 55.146 56.100 -0.166 0.000 1.115 232 R CB 0.442 30.675 30.300 -0.111 0.000 1.121 232 R HN 0.221 nan 8.270 nan 0.000 0.543 233 R N 2.119 122.350 120.500 -0.449 0.000 2.718 233 R HA 0.230 4.570 4.340 0.000 0.000 0.266 233 R C -1.028 174.955 176.300 -0.528 0.000 1.776 233 R CA -0.520 55.113 56.100 -0.778 0.000 1.567 233 R CB 1.511 31.158 30.300 -1.087 0.000 1.336 233 R HN 0.266 nan 8.270 nan 0.000 0.619 234 V N 1.559 121.301 119.914 -0.285 0.000 2.715 234 V HA 0.053 4.173 4.120 0.000 0.000 0.299 234 V C 0.746 176.807 176.094 -0.055 0.000 1.054 234 V CA 0.082 62.296 62.300 -0.143 0.000 1.077 234 V CB 1.338 33.146 31.823 -0.024 0.000 0.972 234 V HN 0.547 nan 8.190 nan 0.000 0.484 235 E N 2.258 122.453 120.200 -0.008 0.000 2.204 235 E HA 0.588 4.939 4.350 0.000 0.000 0.276 235 E C 0.083 176.809 176.600 0.211 0.000 0.974 235 E CA -0.450 56.086 56.400 0.225 0.000 0.815 235 E CB 1.633 31.449 29.700 0.193 0.000 1.119 235 E HN 0.820 nan 8.360 nan 0.000 0.393 236 G N 1.306 110.267 108.800 0.268 0.000 2.462 236 G HA2 0.203 4.163 3.960 0.000 0.000 0.319 236 G HA3 0.203 4.163 3.960 0.000 0.000 0.319 236 G C -0.596 174.369 174.900 0.108 0.000 1.171 236 G CA -0.630 44.590 45.100 0.200 0.000 0.920 236 G HN 0.446 nan 8.290 nan 0.000 0.499 237 S N -0.319 115.412 115.700 0.051 0.000 2.525 237 S HA 0.439 4.909 4.470 0.000 0.000 0.285 237 S C 0.829 175.261 174.600 -0.279 0.000 1.283 237 S CA -0.077 58.028 58.200 -0.159 0.000 1.072 237 S CB -0.258 62.775 63.200 -0.278 0.000 0.867 237 S HN 1.054 nan 8.310 nan 0.000 0.492 238 A N 4.787 127.435 122.820 -0.287 0.000 2.351 238 A HA 0.639 4.959 4.320 0.000 0.000 0.257 238 A C -0.593 176.723 177.584 -0.446 0.000 1.087 238 A CA -0.268 51.638 52.037 -0.218 0.000 0.798 238 A CB 0.086 19.015 19.000 -0.119 0.000 1.033 238 A HN 0.824 nan 8.150 nan 0.000 0.488 239 F N 0.485 120.439 119.950 0.008 0.000 2.507 239 F HA 0.500 5.027 4.527 0.000 0.000 0.328 239 F C 0.787 176.585 175.800 -0.003 0.000 1.136 239 F CA -0.233 57.773 58.000 0.009 0.000 0.930 239 F CB 2.238 41.247 39.000 0.016 0.000 1.166 239 F HN 0.625 nan 8.300 nan 0.000 0.436 240 A N 3.984 126.929 122.820 0.207 0.000 3.019 240 A HA 0.450 4.770 4.320 0.000 0.000 0.262 240 A C -0.458 177.193 177.584 0.112 0.000 1.509 240 A CA -0.131 51.975 52.037 0.115 0.000 1.159 240 A CB -0.483 18.559 19.000 0.070 0.000 1.042 240 A HN 0.480 nan 8.150 nan 0.000 0.641 241 V N 0.566 120.551 119.914 0.117 0.000 2.667 241 V HA 0.477 4.597 4.120 0.000 0.000 0.308 241 V C -0.189 175.918 176.094 0.021 0.000 1.048 241 V CA -0.866 61.466 62.300 0.055 0.000 0.928 241 V CB 1.842 33.678 31.823 0.022 0.000 1.004 241 V HN 0.759 nan 8.190 nan 0.000 0.444 242 E N 5.306 125.505 120.200 -0.002 0.000 2.227 242 E HA 0.682 5.032 4.350 0.000 0.000 0.282 242 E C -0.155 176.419 176.600 -0.043 0.000 1.015 242 E CA -0.534 55.854 56.400 -0.020 0.000 0.823 242 E CB 1.666 31.353 29.700 -0.022 0.000 1.081 242 E HN 0.916 nan 8.360 nan 0.000 0.396 243 A N 3.421 126.210 122.820 -0.053 0.000 2.477 243 A HA 0.175 4.496 4.320 0.000 0.000 0.246 243 A C 0.708 178.223 177.584 -0.115 0.000 1.078 243 A CA -0.533 51.457 52.037 -0.078 0.000 0.770 243 A CB 0.781 19.737 19.000 -0.074 0.000 1.011 243 A HN 0.620 nan 8.150 nan 0.000 0.494 244 V N 1.380 121.212 119.914 -0.138 0.000 2.521 244 V HA 0.096 4.216 4.120 0.000 0.000 0.239 244 V C 0.464 176.384 176.094 -0.290 0.000 1.053 244 V CA 1.883 64.067 62.300 -0.192 0.000 1.073 244 V CB -0.130 31.602 31.823 -0.152 0.000 0.746 244 V HN 0.957 nan 8.190 nan 0.000 0.476 245 D N -0.218 120.053 120.400 -0.215 0.000 2.381 245 D HA 0.223 4.863 4.640 0.000 0.000 0.245 245 D C -2.234 173.998 176.300 -0.113 0.000 1.297 245 D CA -1.356 52.528 54.000 -0.194 0.000 0.931 245 D CB 1.584 42.276 40.800 -0.180 0.000 1.334 245 D HN 0.132 nan 8.370 nan 0.000 0.535 246 P HA -0.025 nan 4.420 nan 0.000 0.244 246 P C 0.276 177.556 177.300 -0.033 0.000 1.211 246 P CA 0.068 63.134 63.100 -0.057 0.000 0.760 246 P CB 0.133 31.803 31.700 -0.051 0.000 0.961 247 V N 0.140 120.042 119.914 -0.020 0.000 2.248 247 V HA 0.397 4.518 4.120 0.000 0.000 0.309 247 V C 1.624 177.722 176.094 0.006 0.000 1.722 247 V CA 0.793 63.099 62.300 0.010 0.000 1.693 247 V CB -0.887 30.972 31.823 0.059 0.000 1.470 247 V HN 0.369 nan 8.190 nan 0.000 0.518 248 G N 0.560 109.356 108.800 -0.006 0.000 4.106 248 G HA2 0.059 4.020 3.960 0.000 0.000 0.220 248 G HA3 0.059 4.020 3.960 0.000 0.000 0.220 248 G C 0.838 175.733 174.900 -0.008 0.000 0.853 248 G CA 0.353 45.453 45.100 0.001 0.000 0.920 248 G HN 0.593 nan 8.290 nan 0.000 0.715 249 A N 0.808 123.619 122.820 -0.016 0.000 1.930 249 A HA 0.354 4.674 4.320 0.000 0.000 0.217 249 A C 2.658 180.257 177.584 0.025 0.000 1.175 249 A CA 2.539 54.573 52.037 -0.005 0.000 0.627 249 A CB -0.892 18.093 19.000 -0.024 0.000 0.815 249 A HN 1.277 nan 8.150 nan 0.000 0.443 250 G N 0.322 109.123 108.800 0.002 0.000 2.476 250 G HA2 -0.310 3.650 3.960 0.000 0.000 0.218 250 G HA3 -0.310 3.650 3.960 0.000 0.000 0.218 250 G C 1.105 176.014 174.900 0.016 0.000 1.164 250 G CA 1.385 46.491 45.100 0.010 0.000 0.768 250 G HN 0.516 nan 8.290 nan 0.000 0.560 251 D N 1.055 121.445 120.400 -0.016 0.000 2.103 251 D HA 0.029 4.669 4.640 0.000 0.000 0.199 251 D C 2.852 179.085 176.300 -0.111 0.000 0.978 251 D CA 1.133 55.088 54.000 -0.076 0.000 0.829 251 D CB -0.780 39.993 40.800 -0.045 0.000 0.981 251 D HN 0.308 nan 8.370 nan 0.000 0.464 252 A N 0.953 123.743 122.820 -0.049 0.000 1.892 252 A HA -0.225 4.095 4.320 0.000 0.000 0.218 252 A C 2.122 179.678 177.584 -0.047 0.000 1.188 252 A CA 1.347 53.351 52.037 -0.056 0.000 0.631 252 A CB -1.147 17.841 19.000 -0.021 0.000 0.822 252 A HN 0.219 nan 8.150 nan 0.000 0.447 253 F N 0.887 120.762 119.950 -0.125 0.000 2.046 253 F HA -0.146 4.381 4.527 0.000 0.000 0.297 253 F C 2.622 178.335 175.800 -0.144 0.000 1.123 253 F CA 1.505 59.455 58.000 -0.084 0.000 1.199 253 F CB -0.784 38.184 39.000 -0.053 0.000 0.972 253 F HN 0.273 nan 8.300 nan 0.000 0.474 254 A N 0.575 123.193 122.820 -0.338 0.000 1.873 254 A HA -0.203 4.117 4.320 0.000 0.000 0.218 254 A C 2.462 179.700 177.584 -0.577 0.000 1.193 254 A CA 2.648 54.127 52.037 -0.930 0.000 0.629 254 A CB -1.768 16.473 19.000 -1.264 0.000 0.826 254 A HN 0.624 nan 8.150 nan 0.000 0.447 255 A N -0.680 121.868 122.820 -0.452 0.000 1.884 255 A HA -0.006 4.314 4.320 0.000 0.000 0.219 255 A C 2.547 179.938 177.584 -0.322 0.000 1.197 255 A CA 2.455 54.270 52.037 -0.370 0.000 0.637 255 A CB -1.674 17.154 19.000 -0.287 0.000 0.827 255 A HN 0.975 nan 8.150 nan 0.000 0.450 256 G N -2.041 106.594 108.800 -0.275 0.000 2.476 256 G HA2 -0.329 3.632 3.960 0.000 0.000 0.218 256 G HA3 -0.329 3.632 3.960 0.000 0.000 0.218 256 G C 1.574 176.330 174.900 -0.239 0.000 1.164 256 G CA 1.413 46.371 45.100 -0.237 0.000 0.768 256 G HN 0.557 nan 8.290 nan 0.000 0.560 257 Y N 0.952 121.021 120.300 -0.386 0.000 2.224 257 Y HA 0.037 4.587 4.550 0.000 0.000 0.289 257 Y C 2.691 178.455 175.900 -0.226 0.000 1.146 257 Y CA 0.968 58.919 58.100 -0.248 0.000 1.182 257 Y CB -0.120 38.293 38.460 -0.078 0.000 0.983 257 Y HN 0.098 nan 8.280 nan 0.000 0.524 258 L N -1.159 119.931 121.223 -0.222 0.000 2.017 258 L HA -0.240 4.100 4.340 0.000 0.000 0.208 258 L C 2.713 179.222 176.870 -0.602 0.000 1.073 258 L CA 1.211 55.789 54.840 -0.438 0.000 0.745 258 L CB -1.082 40.721 42.059 -0.427 0.000 0.894 258 L HN 0.275 nan 8.230 nan 0.000 0.432 259 A N 0.451 122.905 122.820 -0.611 0.000 1.908 259 A HA -0.175 4.145 4.320 0.000 0.000 0.218 259 A C 2.387 179.403 177.584 -0.946 0.000 1.181 259 A CA 1.911 53.370 52.037 -0.963 0.000 0.627 259 A CB -1.320 17.117 19.000 -0.937 0.000 0.818 259 A HN 0.462 nan 8.150 nan 0.000 0.445 260 G N -0.509 107.980 108.800 -0.519 0.000 2.459 260 G HA2 -0.068 3.892 3.960 0.000 0.000 0.217 260 G HA3 -0.068 3.892 3.960 0.000 0.000 0.217 260 G C 1.810 176.557 174.900 -0.254 0.000 1.183 260 G CA 1.829 46.774 45.100 -0.258 0.000 0.776 260 G HN 0.880 nan 8.290 nan 0.000 0.552 261 A N 0.059 122.633 122.820 -0.409 0.000 1.883 261 A HA 0.022 4.342 4.320 0.000 0.000 0.217 261 A C 2.606 180.093 177.584 -0.162 0.000 1.186 261 A CA 2.038 53.908 52.037 -0.278 0.000 0.624 261 A CB -0.805 17.977 19.000 -0.363 0.000 0.822 261 A HN 0.338 nan 8.150 nan 0.000 0.444 262 V N -1.837 117.869 119.914 -0.346 0.000 2.469 262 V HA -0.242 3.878 4.120 0.000 0.000 0.251 262 V C 1.954 178.030 176.094 -0.030 0.000 1.064 262 V CA 1.447 63.618 62.300 -0.215 0.000 1.066 262 V CB -0.884 30.670 31.823 -0.450 0.000 0.667 262 V HN 0.798 nan 8.190 nan 0.000 0.461 263 W N -0.031 121.234 121.300 -0.057 0.000 3.353 263 W HA 0.470 5.130 4.660 0.000 0.000 0.304 263 W C 1.617 178.118 176.519 -0.031 0.000 1.273 263 W CA 0.166 57.487 57.345 -0.039 0.000 1.773 263 W CB -1.050 28.379 29.460 -0.053 0.000 1.095 263 W HN 0.431 nan 8.180 nan 0.000 0.676 264 G N 1.859 110.751 108.800 0.153 0.000 2.338 264 G HA2 -0.289 3.671 3.960 0.000 0.000 0.296 264 G HA3 -0.289 3.671 3.960 0.000 0.000 0.296 264 G C -0.147 174.795 174.900 0.071 0.000 1.040 264 G CA -0.062 45.093 45.100 0.093 0.000 1.004 264 G HN 0.180 nan 8.290 nan 0.000 0.509 265 L N -0.481 120.772 121.223 0.049 0.000 2.343 265 L HA 0.478 4.818 4.340 0.000 0.000 0.275 265 L C -1.827 175.039 176.870 -0.007 0.000 1.056 265 L CA -2.513 52.347 54.840 0.033 0.000 0.804 265 L CB 1.309 43.401 42.059 0.054 0.000 1.203 265 L HN -0.108 nan 8.230 nan 0.000 0.440 266 P HA -0.016 nan 4.420 nan 0.000 0.266 266 P C 1.012 178.316 177.300 0.007 0.000 1.195 266 P CA -0.170 62.936 63.100 0.010 0.000 0.768 266 P CB 0.736 32.448 31.700 0.019 0.000 0.838 267 V N 2.711 122.640 119.914 0.026 0.000 2.418 267 V HA -0.313 3.807 4.120 0.000 0.000 0.258 267 V C 1.905 178.076 176.094 0.128 0.000 1.088 267 V CA 2.049 64.399 62.300 0.084 0.000 1.091 267 V CB -1.066 30.832 31.823 0.124 0.000 0.669 267 V HN 0.597 nan 8.190 nan 0.000 0.461 268 E N 0.159 120.412 120.200 0.087 0.000 2.051 268 E HA -0.197 4.153 4.350 0.000 0.000 0.192 268 E C 2.218 178.880 176.600 0.104 0.000 0.991 268 E CA 1.490 57.948 56.400 0.097 0.000 0.799 268 E CB -0.326 29.411 29.700 0.062 0.000 0.748 268 E HN 0.707 nan 8.360 nan 0.000 0.449 269 E N 0.182 120.422 120.200 0.067 0.000 2.150 269 E HA -0.105 4.245 4.350 0.000 0.000 0.193 269 E C 2.061 178.688 176.600 0.046 0.000 0.985 269 E CA 0.676 57.113 56.400 0.063 0.000 0.814 269 E CB -0.018 29.711 29.700 0.047 0.000 0.752 269 E HN 0.158 nan 8.360 nan 0.000 0.466 270 R N 0.483 120.965 120.500 -0.030 0.000 2.073 270 R HA -0.112 4.228 4.340 0.000 0.000 0.234 270 R C 2.429 178.814 176.300 0.142 0.000 1.134 270 R CA 1.017 56.986 56.100 -0.220 0.000 0.952 270 R CB -0.479 29.301 30.300 -0.868 0.000 0.850 270 R HN 0.155 nan 8.270 nan 0.000 0.433 271 L N 0.432 121.891 121.223 0.392 0.000 1.961 271 L HA -0.193 4.148 4.340 0.000 0.000 0.210 271 L C 2.881 179.926 176.870 0.291 0.000 1.072 271 L CA 1.427 56.513 54.840 0.410 0.000 0.749 271 L CB -0.620 41.654 42.059 0.358 0.000 0.889 271 L HN 0.217 nan 8.230 nan 0.000 0.432 272 R N 0.130 120.774 120.500 0.240 0.000 2.159 272 R HA -0.294 4.047 4.340 0.000 0.000 0.249 272 R C 2.334 178.758 176.300 0.208 0.000 1.136 272 R CA 2.388 58.627 56.100 0.231 0.000 0.951 272 R CB -0.569 29.830 30.300 0.164 0.000 0.876 272 R HN 0.200 nan 8.270 nan 0.000 0.440 273 L N 0.532 121.834 121.223 0.132 0.000 1.989 273 L HA -0.127 4.213 4.340 0.000 0.000 0.211 273 L C 2.438 179.325 176.870 0.028 0.000 1.071 273 L CA 2.346 57.228 54.840 0.071 0.000 0.749 273 L CB -0.996 41.078 42.059 0.025 0.000 0.890 273 L HN 0.316 nan 8.230 nan 0.000 0.431 274 A N -0.133 122.664 122.820 -0.038 0.000 1.892 274 A HA -0.310 4.010 4.320 0.000 0.000 0.218 274 A C 1.995 179.666 177.584 0.144 0.000 1.188 274 A CA 2.378 54.231 52.037 -0.307 0.000 0.631 274 A CB -1.233 17.064 19.000 -1.172 0.000 0.822 274 A HN 0.769 nan 8.150 nan 0.000 0.447 275 N N -0.383 118.581 118.700 0.440 0.000 2.166 275 N HA -0.123 4.618 4.740 0.000 0.000 0.186 275 N C 1.576 177.160 175.510 0.123 0.000 1.019 275 N CA 1.108 54.450 53.050 0.487 0.000 0.856 275 N CB -0.276 38.606 38.487 0.658 0.000 0.993 275 N HN 0.340 nan 8.380 nan 0.000 0.426 276 L N 1.218 122.482 121.223 0.069 0.000 2.042 276 L HA -0.124 4.216 4.340 0.000 0.000 0.210 276 L C 1.995 178.825 176.870 -0.066 0.000 1.076 276 L CA 1.392 56.188 54.840 -0.074 0.000 0.749 276 L CB -0.433 41.626 42.059 0.000 0.000 0.893 276 L HN 0.226 nan 8.230 nan 0.000 0.432 277 L N -1.023 120.193 121.223 -0.012 0.000 1.988 277 L HA -0.098 4.242 4.340 0.000 0.000 0.207 277 L C 2.600 179.464 176.870 -0.011 0.000 1.071 277 L CA 1.991 56.813 54.840 -0.030 0.000 0.744 277 L CB -2.309 39.721 42.059 -0.050 0.000 0.893 277 L HN 0.410 nan 8.230 nan 0.000 0.433 278 G N -0.251 108.597 108.800 0.080 0.000 2.513 278 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 278 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 278 G C 1.761 176.649 174.900 -0.020 0.000 1.160 278 G CA 1.409 46.557 45.100 0.080 0.000 0.767 278 G HN 0.509 nan 8.290 nan 0.000 0.571 279 A N 0.433 123.205 122.820 -0.080 0.000 1.865 279 A HA -0.081 4.239 4.320 0.000 0.000 0.217 279 A C 2.671 180.177 177.584 -0.131 0.000 1.191 279 A CA 2.550 54.486 52.037 -0.167 0.000 0.623 279 A CB -1.063 17.705 19.000 -0.388 0.000 0.826 279 A HN 0.466 nan 8.150 nan 0.000 0.444 280 S N -0.848 114.781 115.700 -0.119 0.000 2.370 280 S HA -0.134 4.336 4.470 0.000 0.000 0.226 280 S C 1.847 176.399 174.600 -0.081 0.000 1.033 280 S CA 1.739 59.884 58.200 -0.092 0.000 1.011 280 S CB -0.447 62.707 63.200 -0.077 0.000 0.852 280 S HN 0.313 nan 8.310 nan 0.000 0.457 281 V N 1.648 121.517 119.914 -0.075 0.000 2.591 281 V HA 0.029 4.149 4.120 0.000 0.000 0.249 281 V C 2.699 178.740 176.094 -0.089 0.000 1.053 281 V CA 1.392 63.644 62.300 -0.080 0.000 1.068 281 V CB -1.106 30.680 31.823 -0.060 0.000 0.689 281 V HN 0.571 nan 8.190 nan 0.000 0.462 282 A N 0.200 122.972 122.820 -0.080 0.000 1.968 282 A HA 0.081 4.402 4.320 0.000 0.000 0.217 282 A C 2.191 179.717 177.584 -0.097 0.000 1.169 282 A CA 1.477 53.464 52.037 -0.084 0.000 0.638 282 A CB -0.447 18.510 19.000 -0.071 0.000 0.812 282 A HN 0.552 nan 8.150 nan 0.000 0.446 283 A N -1.152 121.613 122.820 -0.092 0.000 2.259 283 A HA 0.466 4.786 4.320 0.000 0.000 0.208 283 A C 0.831 178.362 177.584 -0.089 0.000 1.201 283 A CA 0.533 52.518 52.037 -0.087 0.000 0.824 283 A CB -0.206 18.747 19.000 -0.078 0.000 0.838 283 A HN 0.274 nan 8.150 nan 0.000 0.485 284 S N -0.613 115.024 115.700 -0.105 0.000 2.570 284 S HA 0.492 4.963 4.470 0.000 0.000 0.286 284 S C -0.281 174.223 174.600 -0.160 0.000 1.099 284 S CA -0.781 57.352 58.200 -0.113 0.000 0.913 284 S CB 1.289 64.427 63.200 -0.102 0.000 1.085 284 S HN 0.498 nan 8.310 nan 0.000 0.480 285 R N 1.059 121.464 120.500 -0.158 0.000 2.490 285 R HA 0.563 4.904 4.340 0.000 0.000 0.280 285 R C 0.519 176.515 176.300 -0.506 0.000 1.077 285 R CA 0.267 56.238 56.100 -0.215 0.000 1.065 285 R CB 0.507 30.774 30.300 -0.055 0.000 1.003 285 R HN 0.976 nan 8.270 nan 0.000 0.470 286 G N 2.241 110.597 108.800 -0.740 0.000 2.617 286 G HA2 -0.169 3.791 3.960 0.000 0.000 0.686 286 G HA3 -0.169 3.791 3.960 0.000 0.000 0.686 286 G C -0.259 174.334 174.900 -0.512 0.000 1.214 286 G CA -0.585 43.804 45.100 -1.184 0.000 0.796 286 G HN 0.559 nan 8.290 nan 0.000 0.654 287 D N -0.098 120.092 120.400 -0.349 0.000 2.092 287 D HA -0.048 4.593 4.640 0.000 0.000 0.193 287 D C 1.930 178.184 176.300 -0.077 0.000 0.994 287 D CA 2.277 56.224 54.000 -0.088 0.000 0.828 287 D CB -0.006 40.860 40.800 0.111 0.000 0.963 287 D HN 0.739 nan 8.370 nan 0.000 0.450 288 H N -1.744 117.264 119.070 -0.104 0.000 2.916 288 H HA 0.268 4.824 4.556 0.000 0.000 0.262 288 H C -0.505 174.758 175.328 -0.109 0.000 1.178 288 H CA -0.293 55.693 56.048 -0.103 0.000 1.090 288 H CB 0.025 29.730 29.762 -0.096 0.000 1.657 288 H HN -0.038 nan 8.280 nan 0.000 0.601 289 E N 1.482 121.417 120.200 -0.441 0.000 2.360 289 E HA 0.293 4.644 4.350 0.000 0.000 0.269 289 E C 0.951 177.457 176.600 -0.158 0.000 1.022 289 E CA 0.836 57.071 56.400 -0.275 0.000 0.887 289 E CB 1.281 30.805 29.700 -0.293 0.000 0.990 289 E HN 0.698 nan 8.360 nan 0.000 0.426 290 G N 1.756 110.507 108.800 -0.083 0.000 2.253 290 G HA2 -0.228 3.732 3.960 0.000 0.000 0.209 290 G HA3 -0.228 3.732 3.960 0.000 0.000 0.209 290 G C 0.443 175.301 174.900 -0.071 0.000 0.997 290 G CA -0.155 44.908 45.100 -0.063 0.000 0.640 290 G HN 0.777 nan 8.290 nan 0.000 0.496 291 A N 2.624 125.385 122.820 -0.098 0.000 2.522 291 A HA 0.584 4.904 4.320 0.000 0.000 0.256 291 A C -0.961 176.468 177.584 -0.258 0.000 1.086 291 A CA -0.020 51.926 52.037 -0.152 0.000 0.763 291 A CB 0.074 18.984 19.000 -0.150 0.000 1.024 291 A HN 0.329 nan 8.150 nan 0.000 0.502 292 P HA 0.258 nan 4.420 nan 0.000 0.274 292 P C -1.096 176.041 177.300 -0.272 0.000 1.246 292 P CA 0.087 63.113 63.100 -0.124 0.000 0.795 292 P CB 0.473 32.159 31.700 -0.023 0.000 1.006 293 Y N -0.594 119.719 120.300 0.021 0.000 2.457 293 Y HA 0.369 4.919 4.550 0.000 0.000 0.333 293 Y C 2.311 178.236 175.900 0.041 0.000 1.119 293 Y CA -0.590 57.528 58.100 0.030 0.000 1.143 293 Y CB 0.759 39.232 38.460 0.022 0.000 1.230 293 Y HN 0.347 nan 8.280 nan 0.000 0.469 294 R N 1.371 121.989 120.500 0.196 0.000 2.136 294 R HA -0.280 4.060 4.340 0.000 0.000 0.242 294 R C 1.743 178.101 176.300 0.097 0.000 1.131 294 R CA 2.597 58.783 56.100 0.143 0.000 0.937 294 R CB -0.244 30.135 30.300 0.132 0.000 0.863 294 R HN 1.011 nan 8.270 nan 0.000 0.435 295 E N -0.357 119.900 120.200 0.096 0.000 2.333 295 E HA -0.213 4.137 4.350 0.000 0.000 0.200 295 E C 0.891 177.522 176.600 0.052 0.000 1.010 295 E CA 1.467 57.898 56.400 0.052 0.000 0.841 295 E CB -0.152 29.569 29.700 0.035 0.000 0.757 295 E HN 0.432 nan 8.360 nan 0.000 0.508 296 D N 1.211 121.663 120.400 0.087 0.000 2.137 296 D HA -0.032 4.608 4.640 0.000 0.000 0.202 296 D C 2.189 178.519 176.300 0.049 0.000 0.970 296 D CA 0.732 54.776 54.000 0.074 0.000 0.837 296 D CB -0.145 40.720 40.800 0.108 0.000 0.981 296 D HN 0.253 nan 8.370 nan 0.000 0.475 297 L N 1.138 122.393 121.223 0.052 0.000 2.012 297 L HA -0.169 4.171 4.340 0.000 0.000 0.210 297 L C 2.322 179.199 176.870 0.012 0.000 1.073 297 L CA 1.211 56.073 54.840 0.037 0.000 0.748 297 L CB -0.560 41.526 42.059 0.046 0.000 0.891 297 L HN 0.011 nan 8.230 nan 0.000 0.431 298 E N 0.221 120.421 120.200 -0.000 0.000 2.049 298 E HA -0.232 4.119 4.350 0.000 0.000 0.198 298 E C 2.180 178.776 176.600 -0.007 0.000 1.007 298 E CA 1.950 58.340 56.400 -0.018 0.000 0.809 298 E CB -0.417 29.271 29.700 -0.020 0.000 0.749 298 E HN 0.450 nan 8.360 nan 0.000 0.450 299 V N 1.009 120.926 119.914 0.004 0.000 2.358 299 V HA -0.195 3.925 4.120 0.000 0.000 0.246 299 V C 2.316 178.416 176.094 0.009 0.000 1.047 299 V CA 1.278 63.581 62.300 0.006 0.000 1.035 299 V CB -0.680 31.149 31.823 0.010 0.000 0.658 299 V HN 0.152 nan 8.190 nan 0.000 0.452 300 L N -0.793 120.439 121.223 0.015 0.000 2.549 300 L HA 0.052 4.393 4.340 0.000 0.000 0.229 300 L C 1.803 178.684 176.870 0.018 0.000 1.158 300 L CA 1.447 56.299 54.840 0.020 0.000 0.842 300 L CB -0.551 41.523 42.059 0.026 0.000 0.952 300 L HN 0.278 nan 8.230 nan 0.000 0.452 301 L N -0.177 121.051 121.223 0.008 0.000 2.276 301 L HA 0.417 4.757 4.340 0.000 0.000 0.194 301 L C 1.140 178.010 176.870 -0.001 0.000 1.099 301 L CA 1.631 56.472 54.840 0.001 0.000 0.800 301 L CB -0.382 41.669 42.059 -0.015 0.000 0.994 301 L HN 0.168 nan 8.230 nan 0.000 0.475 302 K N 0.000 120.397 120.400 -0.005 0.000 2.780 302 K HA 0.000 4.320 4.320 0.000 0.000 0.191 302 K CA 0.000 nan 56.287 nan 0.000 0.838 302 K CB 0.000 nan 32.500 nan 0.000 1.064 302 K HN 0.000 nan 8.250 nan 0.000 0.543