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 2ux5_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HGM 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.609 177.584 0.042 0.000 1.274 1 A CA 0.000 52.053 52.037 0.027 0.000 0.836 1 A CB 0.000 19.014 19.000 0.024 0.000 0.831 2 E N 0.194 120.416 120.200 0.036 0.000 2.398 2 E HA 0.377 4.727 4.350 0.000 0.000 0.263 2 E C -0.457 176.196 176.600 0.088 0.000 1.046 2 E CA 0.010 56.443 56.400 0.054 0.000 0.908 2 E CB 0.286 30.000 29.700 0.022 0.000 0.963 2 E HN 0.708 nan 8.360 nan 0.000 0.431 3 Y N 3.008 123.300 120.300 -0.013 0.000 2.597 3 Y HA 0.002 4.552 4.550 0.000 0.000 0.336 3 Y C 0.473 176.359 175.900 -0.024 0.000 1.216 3 Y CA 0.459 58.554 58.100 -0.009 0.000 1.463 3 Y CB 0.864 39.320 38.460 -0.006 0.000 1.303 3 Y HN 0.557 nan 8.280 nan 0.000 0.576 4 Q N 3.381 122.763 119.800 -0.696 0.000 2.189 4 Q HA 0.033 4.373 4.340 0.000 0.000 0.223 4 Q C 0.302 175.869 176.000 -0.721 0.000 0.828 4 Q CA 0.336 55.810 55.803 -0.548 0.000 0.967 4 Q CB 0.056 28.625 28.738 -0.281 0.000 1.139 4 Q HN 0.905 nan 8.270 nan 0.000 0.497 5 N N 0.413 118.290 118.700 -1.372 0.000 2.741 5 N HA -0.173 4.567 4.740 0.000 0.000 0.251 5 N C 0.520 175.804 175.510 -0.378 0.000 1.112 5 N CA 0.393 52.995 53.050 -0.746 0.000 0.750 5 N CB -0.784 37.462 38.487 -0.403 0.000 1.119 5 N HN 0.174 nan 8.380 nan 0.000 0.561 6 I N -1.235 119.112 120.570 -0.372 0.000 2.233 6 I HA -0.020 4.150 4.170 0.000 0.000 0.243 6 I C 0.750 176.595 176.117 -0.454 0.000 1.093 6 I CA 1.335 62.390 61.300 -0.408 0.000 1.380 6 I CB -0.682 37.059 38.000 -0.431 0.000 1.067 6 I HN 0.040 nan 8.210 nan 0.000 0.413 7 F N 0.193 120.232 119.950 0.147 0.000 2.551 7 F HA 0.384 4.911 4.527 0.000 0.000 0.316 7 F C 0.846 176.865 175.800 0.364 0.000 1.089 7 F CA -1.038 57.128 58.000 0.277 0.000 0.915 7 F CB 1.112 40.265 39.000 0.254 0.000 1.186 7 F HN -0.296 nan 8.300 nan 0.000 0.456 8 S N 1.479 117.526 115.700 0.578 0.000 2.568 8 S HA 0.040 4.510 4.470 0.000 0.000 0.282 8 S C 0.871 175.771 174.600 0.499 0.000 1.338 8 S CA -0.480 57.998 58.200 0.463 0.000 1.045 8 S CB 0.859 64.240 63.200 0.303 0.000 0.873 8 S HN 0.715 nan 8.310 nan 0.000 0.516 9 Q N 0.134 120.083 119.800 0.248 0.000 2.250 9 Q HA 0.147 4.487 4.340 0.000 0.000 0.200 9 Q C -0.384 175.764 176.000 0.246 0.000 0.941 9 Q CA 0.601 56.509 55.803 0.175 0.000 0.872 9 Q CB 0.262 28.927 28.738 -0.121 0.000 0.965 9 Q HN 0.468 nan 8.270 nan 0.000 0.480 10 V N 1.291 121.286 119.914 0.135 0.000 2.668 10 V HA 0.229 4.349 4.120 0.000 0.000 0.304 10 V C -0.898 175.179 176.094 -0.028 0.000 1.071 10 V CA -0.894 61.438 62.300 0.053 0.000 0.894 10 V CB 1.868 33.696 31.823 0.008 0.000 1.008 10 V HN 0.098 nan 8.190 nan 0.000 0.425 11 Q N 2.356 122.073 119.800 -0.138 0.000 2.214 11 Q HA 0.827 5.167 4.340 0.000 0.000 0.251 11 Q C -0.653 175.276 176.000 -0.119 0.000 0.936 11 Q CA -0.748 54.949 55.803 -0.176 0.000 0.894 11 Q CB 2.701 31.235 28.738 -0.340 0.000 1.252 11 Q HN 0.781 nan 8.270 nan 0.000 0.448 12 V N -1.304 118.555 119.914 -0.091 0.000 3.040 12 V HA 0.804 4.924 4.120 0.000 0.000 0.312 12 V C -0.927 175.118 176.094 -0.080 0.000 1.115 12 V CA -1.054 61.200 62.300 -0.077 0.000 0.998 12 V CB 2.219 34.011 31.823 -0.052 0.000 1.042 12 V HN 0.839 nan 8.190 nan 0.000 0.433 13 R N 0.619 121.060 120.500 -0.099 0.000 2.740 13 R HA 0.815 5.155 4.340 0.000 0.000 0.273 13 R C -0.322 175.902 176.300 -0.125 0.000 0.998 13 R CA 0.159 56.183 56.100 -0.127 0.000 0.900 13 R CB 2.316 32.471 30.300 -0.242 0.000 1.223 13 R HN 1.305 nan 8.270 nan 0.000 0.466 14 G N 1.736 110.469 108.800 -0.113 0.000 3.021 14 G HA2 0.544 4.504 3.960 0.000 0.000 0.290 14 G HA3 0.544 4.504 3.960 0.000 0.000 0.290 14 G C -2.654 172.188 174.900 -0.097 0.000 1.291 14 G CA -0.994 44.052 45.100 -0.091 0.000 0.834 14 G HN 0.445 nan 8.290 nan 0.000 0.564 15 P HA 0.389 nan 4.420 nan 0.000 0.266 15 P C 0.133 177.468 177.300 0.060 0.000 1.193 15 P CA 0.041 63.130 63.100 -0.017 0.000 0.770 15 P CB 0.528 32.227 31.700 -0.003 0.000 0.836 16 A N 2.231 125.129 122.820 0.131 0.000 2.546 16 A HA 0.028 4.348 4.320 0.000 0.000 0.243 16 A C 0.453 178.119 177.584 0.137 0.000 1.063 16 A CA 0.170 52.369 52.037 0.270 0.000 0.757 16 A CB -0.334 18.831 19.000 0.274 0.000 0.991 16 A HN 0.529 nan 8.150 nan 0.000 0.503 17 D N 2.615 123.090 120.400 0.125 0.000 2.339 17 D HA 0.286 4.926 4.640 0.000 0.000 0.241 17 D C 0.661 176.980 176.300 0.032 0.000 1.183 17 D CA -0.068 53.967 54.000 0.060 0.000 0.859 17 D CB 0.711 41.540 40.800 0.048 0.000 1.067 17 D HN 0.484 nan 8.370 nan 0.000 0.484 18 L N 3.009 124.246 121.223 0.024 0.000 2.567 18 L HA 0.240 4.580 4.340 0.000 0.000 0.225 18 L C 1.448 178.320 176.870 0.004 0.000 1.119 18 L CA 0.221 55.069 54.840 0.014 0.000 0.871 18 L CB -0.456 41.613 42.059 0.017 0.000 1.036 18 L HN 0.631 nan 8.230 nan 0.000 0.459 19 G N 0.283 109.082 108.800 -0.001 0.000 2.728 19 G HA2 -0.192 3.768 3.960 0.000 0.000 0.294 19 G HA3 -0.192 3.768 3.960 0.000 0.000 0.294 19 G C -0.420 174.470 174.900 -0.017 0.000 1.342 19 G CA -0.841 44.251 45.100 -0.013 0.000 0.866 19 G HN -0.128 nan 8.290 nan 0.000 0.534 20 M N 0.322 119.905 119.600 -0.029 0.000 2.274 20 M HA 0.382 4.863 4.480 0.000 0.000 0.344 20 M C 1.624 177.903 176.300 -0.035 0.000 1.161 20 M CA 0.098 55.378 55.300 -0.034 0.000 1.126 20 M CB 0.608 33.180 32.600 -0.046 0.000 1.522 20 M HN 0.688 nan 8.290 nan 0.000 0.461 21 T N 0.128 114.663 114.554 -0.031 0.000 2.904 21 T HA 0.014 4.365 4.350 0.000 0.000 0.243 21 T C 0.676 175.351 174.700 -0.042 0.000 1.024 21 T CA 0.249 62.333 62.100 -0.027 0.000 1.158 21 T CB 0.184 69.042 68.868 -0.017 0.000 0.867 21 T HN 0.608 nan 8.240 nan 0.000 0.429 22 E N 1.035 121.210 120.200 -0.043 0.000 3.439 22 E HA -0.218 4.132 4.350 0.000 0.000 0.385 22 E C 0.170 176.741 176.600 -0.048 0.000 1.557 22 E CA 1.763 58.132 56.400 -0.051 0.000 1.684 22 E CB -1.221 28.437 29.700 -0.071 0.000 1.677 22 E HN 0.377 nan 8.360 nan 0.000 0.455 23 D N 0.693 121.055 120.400 -0.062 0.000 2.358 23 D HA 0.200 4.840 4.640 0.000 0.000 0.224 23 D C -0.343 175.923 176.300 -0.057 0.000 1.123 23 D CA 0.061 54.029 54.000 -0.054 0.000 0.833 23 D CB 0.187 40.951 40.800 -0.059 0.000 0.946 23 D HN -0.019 nan 8.370 nan 0.000 0.505 24 V N 1.955 121.830 119.914 -0.066 0.000 2.521 24 V HA -0.032 4.088 4.120 0.000 0.000 0.286 24 V C 0.912 177.026 176.094 0.033 0.000 1.034 24 V CA -0.654 61.608 62.300 -0.063 0.000 1.045 24 V CB 0.561 32.335 31.823 -0.082 0.000 0.974 24 V HN 0.136 nan 8.190 nan 0.000 0.480 25 N N 4.995 123.756 118.700 0.102 0.000 2.399 25 N HA 0.031 4.772 4.740 0.000 0.000 0.284 25 N C 0.847 176.460 175.510 0.172 0.000 1.283 25 N CA 0.307 53.440 53.050 0.138 0.000 0.972 25 N CB 0.330 38.913 38.487 0.159 0.000 1.328 25 N HN 0.685 nan 8.380 nan 0.000 0.486 26 L N 2.265 123.539 121.223 0.086 0.000 2.362 26 L HA -0.119 4.221 4.340 0.000 0.000 0.219 26 L C 2.046 178.928 176.870 0.021 0.000 1.134 26 L CA 0.858 55.736 54.840 0.063 0.000 0.807 26 L CB -0.420 41.657 42.059 0.032 0.000 0.927 26 L HN 0.552 nan 8.230 nan 0.000 0.447 27 A N 0.071 122.892 122.820 0.003 0.000 2.015 27 A HA -0.148 4.172 4.320 0.000 0.000 0.219 27 A C 1.732 179.259 177.584 -0.095 0.000 1.163 27 A CA 1.310 53.326 52.037 -0.035 0.000 0.646 27 A CB -0.335 18.648 19.000 -0.028 0.000 0.806 27 A HN 0.397 nan 8.150 nan 0.000 0.448 28 N N -0.433 118.172 118.700 -0.158 0.000 2.383 28 N HA 0.064 4.804 4.740 0.000 0.000 0.192 28 N C 0.280 175.502 175.510 -0.480 0.000 1.141 28 N CA 0.223 53.013 53.050 -0.434 0.000 0.851 28 N CB -0.022 37.964 38.487 -0.835 0.000 0.976 28 N HN 0.427 nan 8.380 nan 0.000 0.465 29 R N 0.631 121.031 120.500 -0.167 0.000 2.407 29 R HA 0.227 4.567 4.340 0.000 0.000 0.303 29 R C 0.659 176.925 176.300 -0.057 0.000 0.981 29 R CA -0.275 55.791 56.100 -0.057 0.000 0.905 29 R CB 1.014 31.347 30.300 0.054 0.000 1.099 29 R HN 0.107 nan 8.270 nan 0.000 0.459 30 S N 1.863 117.535 115.700 -0.046 0.000 2.634 30 S HA 0.291 4.762 4.470 0.000 0.000 0.254 30 S C 0.640 175.230 174.600 -0.017 0.000 1.299 30 S CA -0.284 57.896 58.200 -0.034 0.000 0.974 30 S CB 0.859 64.043 63.200 -0.027 0.000 1.001 30 S HN 0.651 nan 8.310 nan 0.000 0.584 31 G N -0.879 107.913 108.800 -0.013 0.000 2.532 31 G HA2 0.536 4.496 3.960 0.000 0.000 0.291 31 G HA3 0.536 4.496 3.960 0.000 0.000 0.291 31 G C -0.121 174.772 174.900 -0.012 0.000 1.349 31 G CA -0.431 44.666 45.100 -0.004 0.000 1.038 31 G HN 1.483 nan 8.290 nan 0.000 0.518 32 V N -0.841 119.069 119.914 -0.006 0.000 2.583 32 V HA 0.670 4.790 4.120 0.000 0.000 0.287 32 V C 1.084 177.148 176.094 -0.050 0.000 1.051 32 V CA -0.307 61.969 62.300 -0.040 0.000 1.010 32 V CB 0.388 32.197 31.823 -0.023 0.000 0.988 32 V HN 0.928 nan 8.190 nan 0.000 0.478 33 G N 4.413 113.154 108.800 -0.099 0.000 2.583 33 G HA2 0.454 4.415 3.960 0.000 0.000 0.275 33 G HA3 0.454 4.415 3.960 0.000 0.000 0.275 33 G C -1.988 172.843 174.900 -0.115 0.000 1.342 33 G CA -0.790 44.258 45.100 -0.088 0.000 1.030 33 G HN 0.804 nan 8.290 nan 0.000 0.520 34 P HA 0.259 nan 4.420 nan 0.000 0.275 34 P C -1.181 176.031 177.300 -0.147 0.000 1.270 34 P CA -0.187 62.908 63.100 -0.007 0.000 0.791 34 P CB 0.610 32.325 31.700 0.024 0.000 1.089 35 F N -0.711 119.232 119.950 -0.011 0.000 2.426 35 F HA 0.283 4.811 4.527 0.000 0.000 0.348 35 F C 0.895 176.682 175.800 -0.022 0.000 1.124 35 F CA -0.297 57.691 58.000 -0.021 0.000 1.008 35 F CB 1.633 40.614 39.000 -0.031 0.000 1.139 35 F HN 0.075 nan 8.300 nan 0.000 0.452 36 S N 2.569 118.323 115.700 0.091 0.000 2.488 36 S HA 0.168 4.638 4.470 0.000 0.000 0.310 36 S C 1.028 175.649 174.600 0.034 0.000 1.093 36 S CA -0.469 57.765 58.200 0.057 0.000 1.129 36 S CB 0.544 63.762 63.200 0.030 0.000 0.989 36 S HN 0.756 nan 8.310 nan 0.000 0.479 37 T N 5.196 119.756 114.554 0.010 0.000 2.737 37 T HA -0.155 4.195 4.350 0.000 0.000 0.269 37 T C 1.682 176.307 174.700 -0.126 0.000 1.040 37 T CA 1.825 63.858 62.100 -0.112 0.000 1.142 37 T CB -0.356 68.471 68.868 -0.068 0.000 0.861 37 T HN 0.595 nan 8.240 nan 0.000 0.456 38 L N 0.664 121.930 121.223 0.072 0.000 1.976 38 L HA -0.023 4.317 4.340 0.000 0.000 0.209 38 L C 2.125 179.128 176.870 0.222 0.000 1.071 38 L CA 1.571 56.544 54.840 0.222 0.000 0.746 38 L CB -0.800 41.355 42.059 0.159 0.000 0.890 38 L HN 0.118 nan 8.230 nan 0.000 0.432 39 L N 0.337 121.638 121.223 0.131 0.000 2.043 39 L HA -0.133 4.207 4.340 0.000 0.000 0.212 39 L C 2.448 179.418 176.870 0.166 0.000 1.075 39 L CA 2.071 57.000 54.840 0.149 0.000 0.752 39 L CB -1.913 40.197 42.059 0.086 0.000 0.891 39 L HN 0.464 nan 8.230 nan 0.000 0.432 40 G N -2.762 106.055 108.800 0.028 0.000 2.625 40 G HA2 -0.261 3.699 3.960 0.000 0.000 0.214 40 G HA3 -0.261 3.699 3.960 0.000 0.000 0.214 40 G C 1.255 176.120 174.900 -0.059 0.000 1.132 40 G CA 0.170 45.238 45.100 -0.053 0.000 0.782 40 G HN 0.486 nan 8.290 nan 0.000 0.538 41 W N -1.421 119.992 121.300 0.187 0.000 2.519 41 W HA 0.280 4.940 4.660 0.000 0.000 0.266 41 W C 1.796 178.578 176.519 0.439 0.000 1.253 41 W CA -0.308 57.184 57.345 0.246 0.000 1.274 41 W CB -0.009 29.536 29.460 0.141 0.000 1.114 41 W HN 0.188 nan 8.180 nan 0.000 0.596 42 F N -1.273 118.924 119.950 0.411 0.000 2.549 42 F HA 0.444 4.971 4.527 0.000 0.000 0.275 42 F C 1.485 177.375 175.800 0.149 0.000 0.990 42 F CA 1.157 59.349 58.000 0.320 0.000 1.274 42 F CB -0.329 38.857 39.000 0.310 0.000 1.064 42 F HN -0.259 nan 8.300 nan 0.000 0.715 43 G N -0.423 108.512 108.800 0.226 0.000 3.247 43 G HA2 0.206 4.166 3.960 0.000 0.000 0.199 43 G HA3 0.206 4.166 3.960 0.000 0.000 0.199 43 G C -1.224 173.717 174.900 0.068 0.000 1.172 43 G CA -0.704 44.444 45.100 0.080 0.000 0.844 43 G HN -0.058 nan 8.290 nan 0.000 0.619 44 N N 0.631 119.359 118.700 0.046 0.000 2.520 44 N HA 0.378 5.119 4.740 0.000 0.000 0.273 44 N C 1.156 176.682 175.510 0.027 0.000 1.155 44 N CA 0.391 53.458 53.050 0.028 0.000 0.967 44 N CB 1.694 40.186 38.487 0.008 0.000 1.092 44 N HN 0.517 nan 8.380 nan 0.000 0.457 45 A N 2.533 125.376 122.820 0.038 0.000 2.014 45 A HA -0.112 4.208 4.320 0.000 0.000 0.218 45 A C 1.014 178.566 177.584 -0.052 0.000 1.163 45 A CA 0.758 52.829 52.037 0.056 0.000 0.652 45 A CB -0.218 18.877 19.000 0.159 0.000 0.808 45 A HN 0.761 nan 8.150 nan 0.000 0.449 46 Q N 0.509 120.217 119.800 -0.153 0.000 2.314 46 Q HA 0.391 4.731 4.340 0.000 0.000 0.258 46 Q C -1.189 174.595 176.000 -0.359 0.000 0.954 46 Q CA -0.277 55.198 55.803 -0.546 0.000 0.890 46 Q CB 0.433 28.922 28.738 -0.415 0.000 1.210 46 Q HN 0.273 nan 8.270 nan 0.000 0.410 47 L N 3.275 124.241 121.223 -0.428 0.000 2.334 47 L HA 0.585 4.925 4.340 0.000 0.000 0.276 47 L C 0.778 177.522 176.870 -0.211 0.000 1.014 47 L CA 0.770 55.471 54.840 -0.232 0.000 0.815 47 L CB 0.654 42.610 42.059 -0.172 0.000 1.268 47 L HN 1.032 nan 8.230 nan 0.000 0.428 48 G N 4.210 112.938 108.800 -0.121 0.000 2.801 48 G HA2 -0.169 3.791 3.960 0.000 0.000 0.244 48 G HA3 -0.169 3.791 3.960 0.000 0.000 0.244 48 G C -2.726 172.123 174.900 -0.084 0.000 1.385 48 G CA -0.765 44.285 45.100 -0.083 0.000 0.894 48 G HN 0.443 nan 8.290 nan 0.000 0.562 49 P HA 0.563 nan 4.420 nan 0.000 0.275 49 P C 0.048 177.346 177.300 -0.003 0.000 1.266 49 P CA -0.450 62.637 63.100 -0.023 0.000 0.793 49 P CB 0.855 32.552 31.700 -0.005 0.000 1.074 50 I N -0.555 120.021 120.570 0.010 0.000 2.846 50 I HA 0.403 4.573 4.170 0.000 0.000 0.307 50 I C -1.125 175.031 176.117 0.065 0.000 1.053 50 I CA -1.437 59.886 61.300 0.039 0.000 1.050 50 I CB 1.830 39.851 38.000 0.035 0.000 1.239 50 I HN 0.198 nan 8.210 nan 0.000 0.439 51 Y N 6.328 126.600 120.300 -0.047 0.000 2.328 51 Y HA 0.343 4.893 4.550 0.000 0.000 0.337 51 Y C -0.531 175.339 175.900 -0.050 0.000 1.008 51 Y CA -0.410 57.656 58.100 -0.057 0.000 1.129 51 Y CB 0.964 39.373 38.460 -0.086 0.000 1.185 51 Y HN 0.452 nan 8.280 nan 0.000 0.476 52 L N 4.034 124.979 121.223 -0.462 0.000 2.415 52 L HA 0.565 4.905 4.340 0.000 0.000 0.194 52 L C 1.170 177.839 176.870 -0.336 0.000 1.256 52 L CA 1.143 55.813 54.840 -0.282 0.000 1.974 52 L CB -1.500 40.418 42.059 -0.235 0.000 1.753 52 L HN 0.924 nan 8.230 nan 0.000 0.948 53 G N -1.042 107.528 108.800 -0.384 0.000 2.829 53 G HA2 -0.223 3.738 3.960 0.000 0.000 0.628 53 G HA3 -0.223 3.738 3.960 0.000 0.000 0.628 53 G C 0.624 175.490 174.900 -0.056 0.000 1.412 53 G CA 0.034 45.007 45.100 -0.213 0.000 0.864 53 G HN 0.301 nan 8.290 nan 0.000 0.544 54 S N -0.529 115.167 115.700 -0.007 0.000 2.338 54 S HA 0.004 4.475 4.470 0.000 0.000 0.218 54 S C 2.600 177.225 174.600 0.041 0.000 1.032 54 S CA 1.412 59.620 58.200 0.013 0.000 0.999 54 S CB -0.347 62.864 63.200 0.017 0.000 0.905 54 S HN 0.537 nan 8.310 nan 0.000 0.439 55 L N 1.073 122.327 121.223 0.052 0.000 2.043 55 L HA -0.181 4.159 4.340 0.000 0.000 0.212 55 L C 2.571 179.487 176.870 0.078 0.000 1.075 55 L CA 1.603 56.482 54.840 0.065 0.000 0.752 55 L CB -1.266 40.817 42.059 0.041 0.000 0.891 55 L HN 0.467 nan 8.230 nan 0.000 0.432 56 G N -0.794 108.039 108.800 0.055 0.000 2.459 56 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 56 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 56 G C 1.577 176.557 174.900 0.133 0.000 1.183 56 G CA 1.003 46.148 45.100 0.076 0.000 0.776 56 G HN 0.252 nan 8.290 nan 0.000 0.552 57 V N 0.844 120.812 119.914 0.091 0.000 2.332 57 V HA -0.161 3.959 4.120 0.000 0.000 0.248 57 V C 2.717 178.908 176.094 0.163 0.000 1.055 57 V CA 1.772 64.133 62.300 0.103 0.000 1.038 57 V CB -0.517 31.332 31.823 0.043 0.000 0.651 57 V HN 0.380 nan 8.190 nan 0.000 0.450 58 L N -0.029 121.284 121.223 0.150 0.000 2.012 58 L HA -0.161 4.179 4.340 0.000 0.000 0.210 58 L C 2.562 179.587 176.870 0.258 0.000 1.073 58 L CA 2.571 57.532 54.840 0.202 0.000 0.748 58 L CB -0.957 41.199 42.059 0.163 0.000 0.891 58 L HN 0.287 nan 8.230 nan 0.000 0.431 59 S N -0.976 114.863 115.700 0.232 0.000 2.356 59 S HA -0.181 4.289 4.470 0.000 0.000 0.223 59 S C 2.008 176.726 174.600 0.196 0.000 1.032 59 S CA 1.566 59.916 58.200 0.250 0.000 1.005 59 S CB -0.599 62.831 63.200 0.384 0.000 0.867 59 S HN 0.538 nan 8.310 nan 0.000 0.449 60 L N 0.492 121.840 121.223 0.210 0.000 2.046 60 L HA 0.011 4.351 4.340 0.000 0.000 0.208 60 L C 2.018 178.949 176.870 0.102 0.000 1.077 60 L CA 2.077 56.990 54.840 0.123 0.000 0.747 60 L CB -0.714 41.430 42.059 0.141 0.000 0.896 60 L HN 0.434 nan 8.230 nan 0.000 0.432 61 F N -0.313 119.660 119.950 0.039 0.000 2.146 61 F HA -0.149 4.378 4.527 0.000 0.000 0.298 61 F C 2.639 178.425 175.800 -0.024 0.000 1.096 61 F CA 1.673 59.686 58.000 0.021 0.000 1.275 61 F CB -0.686 38.338 39.000 0.040 0.000 1.008 61 F HN 0.195 nan 8.300 nan 0.000 0.480 62 S N -0.031 115.672 115.700 0.005 0.000 2.382 62 S HA -0.097 4.373 4.470 0.000 0.000 0.228 62 S C 2.293 176.820 174.600 -0.122 0.000 1.027 62 S CA 1.398 59.557 58.200 -0.067 0.000 0.991 62 S CB -1.176 62.139 63.200 0.191 0.000 0.823 62 S HN 0.599 nan 8.310 nan 0.000 0.469 63 G N 1.230 109.982 108.800 -0.081 0.000 2.408 63 G HA2 -0.045 3.915 3.960 0.000 0.000 0.217 63 G HA3 -0.045 3.915 3.960 0.000 0.000 0.217 63 G C 1.412 176.275 174.900 -0.062 0.000 1.150 63 G CA 0.585 45.650 45.100 -0.059 0.000 0.776 63 G HN 0.490 nan 8.290 nan 0.000 0.542 64 L N -0.050 121.026 121.223 -0.246 0.000 2.017 64 L HA -0.094 4.246 4.340 0.000 0.000 0.208 64 L C 3.081 179.663 176.870 -0.481 0.000 1.073 64 L CA 0.797 55.362 54.840 -0.459 0.000 0.745 64 L CB -0.377 41.484 42.059 -0.331 0.000 0.894 64 L HN 0.138 nan 8.230 nan 0.000 0.432 65 M N -1.071 118.205 119.600 -0.539 0.000 2.106 65 M HA -0.280 4.200 4.480 0.000 0.000 0.259 65 M C 2.100 178.221 176.300 -0.298 0.000 1.068 65 M CA 1.852 56.745 55.300 -0.678 0.000 1.100 65 M CB -1.366 30.203 32.600 -1.719 0.000 1.351 65 M HN 0.471 nan 8.290 nan 0.000 0.404 66 W N 0.218 121.344 121.300 -0.289 0.000 2.379 66 W HA -0.244 4.416 4.660 0.000 0.000 0.307 66 W C 2.225 178.633 176.519 -0.185 0.000 1.200 66 W CA 1.250 58.523 57.345 -0.120 0.000 1.297 66 W CB -0.844 28.545 29.460 -0.118 0.000 1.140 66 W HN 0.166 nan 8.180 nan 0.000 0.507 67 F N -0.020 119.647 119.950 -0.472 0.000 2.134 67 F HA -0.125 4.403 4.527 0.000 0.000 0.299 67 F C 2.046 177.533 175.800 -0.522 0.000 1.097 67 F CA 2.050 59.603 58.000 -0.744 0.000 1.264 67 F CB -0.879 37.748 39.000 -0.621 0.000 1.001 67 F HN -0.115 nan 8.300 nan 0.000 0.479 68 F N -0.786 119.049 119.950 -0.192 0.000 2.293 68 F HA -0.144 4.383 4.527 0.000 0.000 0.297 68 F C 2.360 178.047 175.800 -0.189 0.000 1.089 68 F CA 1.035 58.924 58.000 -0.185 0.000 1.377 68 F CB -0.817 38.134 39.000 -0.082 0.000 1.051 68 F HN -0.196 nan 8.300 nan 0.000 0.511 69 T N 0.958 115.500 114.554 -0.020 0.000 2.720 69 T HA -0.188 4.163 4.350 0.000 0.000 0.268 69 T C 1.906 176.536 174.700 -0.116 0.000 1.037 69 T CA 1.440 63.535 62.100 -0.008 0.000 1.144 69 T CB -0.383 68.514 68.868 0.049 0.000 0.864 69 T HN 0.174 nan 8.240 nan 0.000 0.444 70 I N 0.946 121.268 120.570 -0.415 0.000 2.286 70 I HA -0.018 4.152 4.170 0.000 0.000 0.245 70 I C 2.870 178.643 176.117 -0.574 0.000 1.104 70 I CA 1.180 62.153 61.300 -0.545 0.000 1.397 70 I CB -0.552 36.881 38.000 -0.946 0.000 1.072 70 I HN 0.291 nan 8.210 nan 0.000 0.417 71 G N 0.722 109.198 108.800 -0.540 0.000 2.408 71 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 71 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 71 G C 1.606 176.618 174.900 0.187 0.000 1.150 71 G CA 0.413 45.355 45.100 -0.262 0.000 0.776 71 G HN 0.166 nan 8.290 nan 0.000 0.542 72 I N -0.149 120.537 120.570 0.193 0.000 2.127 72 I HA -0.136 4.034 4.170 0.000 0.000 0.241 72 I C 2.415 178.690 176.117 0.263 0.000 1.075 72 I CA 0.949 62.420 61.300 0.286 0.000 1.334 72 I CB -0.383 37.758 38.000 0.236 0.000 1.040 72 I HN 0.444 nan 8.210 nan 0.000 0.405 73 W N 0.294 121.638 121.300 0.075 0.000 2.325 73 W HA -0.314 4.346 4.660 0.000 0.000 0.299 73 W C 2.115 178.737 176.519 0.173 0.000 1.215 73 W CA 1.334 58.746 57.345 0.112 0.000 1.244 73 W CB -0.344 29.190 29.460 0.123 0.000 1.140 73 W HN 0.099 nan 8.180 nan 0.000 0.523 74 F N -0.610 119.219 119.950 -0.201 0.000 2.146 74 F HA -0.087 4.440 4.527 0.000 0.000 0.298 74 F C 2.127 177.420 175.800 -0.844 0.000 1.096 74 F CA 1.024 58.635 58.000 -0.648 0.000 1.275 74 F CB -1.673 37.073 39.000 -0.424 0.000 1.008 74 F HN -0.125 nan 8.300 nan 0.000 0.480 75 W N -1.045 120.132 121.300 -0.205 0.000 2.335 75 W HA -0.277 4.384 4.660 0.000 0.000 0.311 75 W C 2.652 178.543 176.519 -1.048 0.000 1.213 75 W CA 1.927 59.007 57.345 -0.442 0.000 1.274 75 W CB -1.197 28.056 29.460 -0.345 0.000 1.148 75 W HN 0.083 nan 8.180 nan 0.000 0.498 76 Y N 1.303 120.941 120.300 -1.103 0.000 2.081 76 Y HA -0.387 4.164 4.550 0.000 0.000 0.280 76 Y C 2.427 177.776 175.900 -0.919 0.000 1.163 76 Y CA 2.467 59.818 58.100 -1.249 0.000 1.135 76 Y CB -0.763 37.224 38.460 -0.788 0.000 0.970 76 Y HN 0.022 nan 8.280 nan 0.000 0.498 77 Q N -0.442 118.851 119.800 -0.845 0.000 2.226 77 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 77 Q C 2.203 177.881 176.000 -0.537 0.000 0.975 77 Q CA 1.084 56.465 55.803 -0.703 0.000 0.866 77 Q CB -0.293 28.063 28.738 -0.637 0.000 0.915 77 Q HN 0.631 nan 8.270 nan 0.000 0.440 78 A N 0.172 122.599 122.820 -0.655 0.000 2.238 78 A HA 0.241 4.561 4.320 0.000 0.000 0.208 78 A C 1.494 178.949 177.584 -0.215 0.000 1.177 78 A CA 0.713 52.582 52.037 -0.279 0.000 0.804 78 A CB -0.371 18.509 19.000 -0.200 0.000 0.823 78 A HN 0.443 nan 8.150 nan 0.000 0.482 79 G N -2.410 106.123 108.800 -0.444 0.000 2.225 79 G HA2 -0.314 3.646 3.960 0.000 0.000 0.267 79 G HA3 -0.314 3.646 3.960 0.000 0.000 0.267 79 G C 0.291 175.174 174.900 -0.029 0.000 1.024 79 G CA 0.340 45.252 45.100 -0.314 0.000 0.784 79 G HN 1.185 nan 8.290 nan 0.000 0.507 80 W N -2.418 118.938 121.300 0.094 0.000 3.160 80 W HA -0.191 4.470 4.660 0.000 0.000 0.299 80 W C 0.528 177.199 176.519 0.252 0.000 1.141 80 W CA 0.169 57.640 57.345 0.210 0.000 0.612 80 W CB -2.054 27.427 29.460 0.035 0.000 2.186 80 W HN 0.580 nan 8.180 nan 0.000 1.364 81 N N 1.627 120.546 118.700 0.366 0.000 2.462 81 N HA 0.190 4.930 4.740 0.000 0.000 0.242 81 N C -0.669 175.053 175.510 0.353 0.000 1.010 81 N CA -1.874 51.350 53.050 0.290 0.000 0.939 81 N CB 1.286 39.868 38.487 0.159 0.000 1.127 81 N HN -0.204 nan 8.380 nan 0.000 0.509 82 P HA -0.197 nan 4.420 nan 0.000 0.217 82 P C 0.837 178.284 177.300 0.245 0.000 1.151 82 P CA 1.345 64.701 63.100 0.427 0.000 0.849 82 P CB 0.239 32.150 31.700 0.350 0.000 0.787 83 A N -0.668 122.255 122.820 0.172 0.000 1.969 83 A HA -0.070 4.250 4.320 0.000 0.000 0.218 83 A C 2.416 180.043 177.584 0.072 0.000 1.169 83 A CA 1.503 53.602 52.037 0.104 0.000 0.635 83 A CB -1.394 17.649 19.000 0.071 0.000 0.810 83 A HN 0.093 nan 8.150 nan 0.000 0.445 84 V N -1.496 118.473 119.914 0.092 0.000 2.407 84 V HA -0.149 3.971 4.120 0.000 0.000 0.245 84 V C 2.150 178.313 176.094 0.114 0.000 1.041 84 V CA 1.596 63.933 62.300 0.062 0.000 1.040 84 V CB -1.000 30.863 31.823 0.066 0.000 0.671 84 V HN 0.580 nan 8.190 nan 0.000 0.455 85 F N 0.761 120.683 119.950 -0.047 0.000 2.045 85 F HA -0.294 4.234 4.527 0.000 0.000 0.297 85 F C 2.106 177.868 175.800 -0.063 0.000 1.114 85 F CA 2.043 59.950 58.000 -0.155 0.000 1.207 85 F CB -0.243 38.285 39.000 -0.786 0.000 0.964 85 F HN 0.011 nan 8.300 nan 0.000 0.486 86 L N -0.505 120.734 121.223 0.026 0.000 2.109 86 L HA -0.158 4.182 4.340 0.000 0.000 0.207 86 L C 2.623 179.373 176.870 -0.200 0.000 1.086 86 L CA 1.416 56.205 54.840 -0.086 0.000 0.760 86 L CB -0.833 41.238 42.059 0.021 0.000 0.910 86 L HN 0.172 nan 8.230 nan 0.000 0.437 87 R N 0.461 120.868 120.500 -0.154 0.000 2.081 87 R HA -0.165 4.175 4.340 0.000 0.000 0.235 87 R C 0.748 176.867 176.300 -0.301 0.000 1.131 87 R CA 1.811 57.795 56.100 -0.192 0.000 0.960 87 R CB 0.099 30.308 30.300 -0.151 0.000 0.856 87 R HN 0.253 nan 8.270 nan 0.000 0.436 88 D N 0.049 120.185 120.400 -0.440 0.000 2.402 88 D HA 0.005 4.645 4.640 0.000 0.000 0.216 88 D C 1.154 176.799 176.300 -1.092 0.000 1.128 88 D CA -0.120 53.443 54.000 -0.728 0.000 0.833 88 D CB 0.521 40.743 40.800 -0.963 0.000 0.971 88 D HN 0.097 nan 8.370 nan 0.000 0.503 89 L N 0.190 120.971 121.223 -0.737 0.000 2.013 89 L HA -0.173 4.167 4.340 0.000 0.000 0.212 89 L C 1.359 178.010 176.870 -0.364 0.000 1.073 89 L CA 1.778 56.271 54.840 -0.578 0.000 0.753 89 L CB -0.482 41.265 42.059 -0.521 0.000 0.890 89 L HN -0.018 nan 8.230 nan 0.000 0.432 90 F N -1.735 117.845 119.950 -0.618 0.000 2.802 90 F HA 0.027 4.554 4.527 0.000 0.000 0.300 90 F C 1.774 176.944 175.800 -1.050 0.000 1.168 90 F CA 0.156 57.556 58.000 -1.000 0.000 1.433 90 F CB -1.109 36.825 39.000 -1.776 0.000 1.115 90 F HN 0.077 nan 8.300 nan 0.000 0.582 91 F N -2.071 117.548 119.950 -0.552 0.000 2.622 91 F HA 0.166 4.694 4.527 0.000 0.000 0.288 91 F C 0.882 176.459 175.800 -0.371 0.000 1.120 91 F CA -0.420 57.371 58.000 -0.348 0.000 1.423 91 F CB -0.322 38.439 39.000 -0.400 0.000 1.127 91 F HN -0.358 nan 8.300 nan 0.000 0.588 92 F N 0.626 120.369 119.950 -0.345 0.000 2.539 92 F HA 0.330 4.857 4.527 0.000 0.000 0.340 92 F C 0.736 176.268 175.800 -0.447 0.000 1.185 92 F CA -0.473 57.116 58.000 -0.686 0.000 1.333 92 F CB 0.217 38.156 39.000 -1.769 0.000 1.152 92 F HN -0.330 nan 8.300 nan 0.000 0.602 93 S N 1.847 117.668 115.700 0.201 0.000 2.584 93 S HA 0.458 4.928 4.470 0.000 0.000 0.280 93 S C -1.848 173.182 174.600 0.718 0.000 1.162 93 S CA -0.741 57.754 58.200 0.493 0.000 0.951 93 S CB 0.689 64.091 63.200 0.337 0.000 1.108 93 S HN 0.562 nan 8.310 nan 0.000 0.464 94 L N 5.115 126.766 121.223 0.713 0.000 2.261 94 L HA 0.614 4.954 4.340 0.000 0.000 0.289 94 L C -0.279 176.789 176.870 0.331 0.000 1.059 94 L CA 0.394 55.441 54.840 0.346 0.000 0.816 94 L CB 0.598 42.823 42.059 0.278 0.000 1.191 94 L HN 0.636 nan 8.230 nan 0.000 0.431 95 E N 6.792 127.063 120.200 0.118 0.000 2.202 95 E HA 0.493 4.843 4.350 0.000 0.000 0.272 95 E C -2.514 173.909 176.600 -0.295 0.000 0.951 95 E CA -1.870 54.512 56.400 -0.029 0.000 0.813 95 E CB 1.289 31.006 29.700 0.028 0.000 1.151 95 E HN 0.443 nan 8.360 nan 0.000 0.398 96 P HA 0.210 nan 4.420 nan 0.000 0.274 96 P C -2.546 174.502 177.300 -0.419 0.000 1.256 96 P CA -1.459 60.942 63.100 -1.165 0.000 0.795 96 P CB -0.564 30.132 31.700 -1.674 0.000 1.038 97 P HA 0.033 nan 4.420 nan 0.000 0.269 97 P C -0.140 177.188 177.300 0.047 0.000 1.217 97 P CA 0.334 63.409 63.100 -0.042 0.000 0.783 97 P CB -0.003 31.719 31.700 0.036 0.000 0.898 98 A N 4.146 127.084 122.820 0.196 0.000 2.386 98 A HA 0.254 4.574 4.320 0.000 0.000 0.246 98 A C -1.271 176.376 177.584 0.105 0.000 1.089 98 A CA -0.767 51.352 52.037 0.137 0.000 0.790 98 A CB -1.137 17.947 19.000 0.140 0.000 1.042 98 A HN 0.419 nan 8.150 nan 0.000 0.497 99 P HA -0.161 nan 4.420 nan 0.000 0.216 99 P C 0.743 178.010 177.300 -0.054 0.000 1.150 99 P CA 1.648 64.734 63.100 -0.024 0.000 0.843 99 P CB 0.077 31.750 31.700 -0.044 0.000 0.787 100 E N -1.682 118.447 120.200 -0.118 0.000 2.209 100 E HA -0.189 4.162 4.350 0.000 0.000 0.196 100 E C 1.391 177.833 176.600 -0.264 0.000 0.993 100 E CA 1.073 57.336 56.400 -0.228 0.000 0.819 100 E CB -0.940 28.557 29.700 -0.339 0.000 0.745 100 E HN 0.488 nan 8.360 nan 0.000 0.477 101 Y N 0.076 120.366 120.300 -0.016 0.000 2.546 101 Y HA 0.094 4.644 4.550 0.000 0.000 0.287 101 Y C 1.869 177.749 175.900 -0.033 0.000 1.158 101 Y CA 0.118 58.217 58.100 -0.002 0.000 1.307 101 Y CB -0.239 38.240 38.460 0.031 0.000 1.036 101 Y HN 0.107 nan 8.280 nan 0.000 0.532 102 G N 1.180 109.994 108.800 0.024 0.000 2.672 102 G HA2 -0.379 3.581 3.960 0.000 0.000 0.324 102 G HA3 -0.379 3.581 3.960 0.000 0.000 0.324 102 G C 0.658 175.416 174.900 -0.237 0.000 1.286 102 G CA 0.908 45.946 45.100 -0.104 0.000 1.004 102 G HN 0.310 nan 8.290 nan 0.000 0.548 103 L N 2.077 123.091 121.223 -0.348 0.000 2.653 103 L HA 0.328 4.669 4.340 0.000 0.000 0.231 103 L C 1.749 178.542 176.870 -0.128 0.000 1.153 103 L CA 0.496 54.949 54.840 -0.645 0.000 0.933 103 L CB -0.035 41.621 42.059 -0.672 0.000 1.175 103 L HN 0.638 nan 8.230 nan 0.000 0.473 104 S N -1.062 114.657 115.700 0.031 0.000 2.593 104 S HA 0.184 4.654 4.470 0.000 0.000 0.269 104 S C 0.185 174.814 174.600 0.048 0.000 1.334 104 S CA -0.309 57.963 58.200 0.120 0.000 1.015 104 S CB 0.480 63.781 63.200 0.168 0.000 0.912 104 S HN 0.142 nan 8.310 nan 0.000 0.541 105 F N 0.471 120.531 119.950 0.184 0.000 2.713 105 F HA 0.441 4.968 4.527 0.000 0.000 0.294 105 F C 1.679 177.491 175.800 0.019 0.000 1.152 105 F CA -0.147 57.904 58.000 0.086 0.000 1.385 105 F CB -0.397 38.627 39.000 0.041 0.000 0.981 105 F HN 0.792 nan 8.300 nan 0.000 0.514 106 A N -0.102 122.797 122.820 0.132 0.000 2.267 106 A HA 0.575 4.895 4.320 0.000 0.000 0.213 106 A C 1.449 178.977 177.584 -0.093 0.000 1.192 106 A CA 0.217 52.304 52.037 0.083 0.000 0.851 106 A CB -0.403 18.697 19.000 0.167 0.000 0.881 106 A HN 0.179 nan 8.150 nan 0.000 0.494 107 A N 1.298 123.897 122.820 -0.368 0.000 2.498 107 A HA 0.497 4.817 4.320 0.000 0.000 0.239 107 A C -2.345 175.033 177.584 -0.343 0.000 1.068 107 A CA -0.818 50.728 52.037 -0.818 0.000 0.766 107 A CB -0.463 17.996 19.000 -0.902 0.000 1.003 107 A HN 0.248 nan 8.150 nan 0.000 0.497 108 P HA 0.159 nan 4.420 nan 0.000 0.271 108 P C 0.956 178.199 177.300 -0.096 0.000 1.218 108 P CA -0.381 62.660 63.100 -0.098 0.000 0.780 108 P CB 0.424 32.111 31.700 -0.023 0.000 0.901 109 L N 1.518 122.711 121.223 -0.050 0.000 2.034 109 L HA -0.280 4.060 4.340 0.000 0.000 0.217 109 L C 2.016 178.826 176.870 -0.100 0.000 1.077 109 L CA 1.976 56.785 54.840 -0.051 0.000 0.769 109 L CB -0.602 41.456 42.059 -0.002 0.000 0.890 109 L HN 0.485 nan 8.230 nan 0.000 0.435 110 K N -0.616 119.759 120.400 -0.041 0.000 2.418 110 K HA -0.030 4.290 4.320 0.000 0.000 0.195 110 K C 0.676 177.234 176.600 -0.070 0.000 1.035 110 K CA 0.584 56.870 56.287 -0.002 0.000 1.003 110 K CB 0.270 32.865 32.500 0.158 0.000 0.793 110 K HN 0.345 nan 8.250 nan 0.000 0.494 111 E N -1.042 119.112 120.200 -0.077 0.000 2.869 111 E HA 0.163 4.513 4.350 0.000 0.000 0.207 111 E C 0.302 176.828 176.600 -0.124 0.000 0.986 111 E CA -0.081 56.289 56.400 -0.049 0.000 1.131 111 E CB 1.473 31.195 29.700 0.038 0.000 1.098 111 E HN 0.357 nan 8.360 nan 0.000 0.459 112 G N 0.097 108.797 108.800 -0.166 0.000 3.006 112 G HA2 -0.210 3.750 3.960 0.000 0.000 0.195 112 G HA3 -0.210 3.750 3.960 0.000 0.000 0.195 112 G C 1.152 176.016 174.900 -0.061 0.000 1.034 112 G CA -0.190 44.836 45.100 -0.123 0.000 0.807 112 G HN 0.362 nan 8.290 nan 0.000 0.469 113 G N 0.823 109.556 108.800 -0.111 0.000 2.432 113 G HA2 0.084 4.044 3.960 0.000 0.000 0.219 113 G HA3 0.084 4.044 3.960 0.000 0.000 0.219 113 G C 1.705 176.586 174.900 -0.031 0.000 1.135 113 G CA 1.590 46.652 45.100 -0.063 0.000 0.767 113 G HN 0.654 nan 8.290 nan 0.000 0.550 114 L N -0.772 120.412 121.223 -0.066 0.000 2.156 114 L HA 0.185 4.525 4.340 0.000 0.000 0.208 114 L C 2.297 179.159 176.870 -0.013 0.000 1.095 114 L CA 0.978 55.780 54.840 -0.063 0.000 0.770 114 L CB -0.585 41.374 42.059 -0.168 0.000 0.914 114 L HN 0.486 nan 8.230 nan 0.000 0.439 115 W N -0.256 120.952 121.300 -0.153 0.000 2.358 115 W HA -0.206 4.454 4.660 0.000 0.000 0.303 115 W C 2.119 178.651 176.519 0.021 0.000 1.208 115 W CA 1.685 59.016 57.345 -0.023 0.000 1.274 115 W CB -0.126 29.285 29.460 -0.083 0.000 1.138 115 W HN 0.083 nan 8.180 nan 0.000 0.515 116 L N 0.173 121.454 121.223 0.097 0.000 2.141 116 L HA -0.215 4.125 4.340 0.000 0.000 0.209 116 L C 2.338 179.123 176.870 -0.141 0.000 1.094 116 L CA 1.172 55.944 54.840 -0.113 0.000 0.763 116 L CB -0.674 41.344 42.059 -0.069 0.000 0.908 116 L HN 0.052 nan 8.230 nan 0.000 0.437 117 I N -0.405 120.106 120.570 -0.098 0.000 2.233 117 I HA -0.218 3.952 4.170 0.000 0.000 0.243 117 I C 2.820 178.889 176.117 -0.080 0.000 1.093 117 I CA 0.987 62.203 61.300 -0.141 0.000 1.380 117 I CB -0.504 37.454 38.000 -0.071 0.000 1.067 117 I HN 0.169 nan 8.210 nan 0.000 0.413 118 A N 0.492 123.316 122.820 0.007 0.000 1.908 118 A HA -0.220 4.100 4.320 0.000 0.000 0.218 118 A C 2.493 180.167 177.584 0.150 0.000 1.181 118 A CA 2.392 54.487 52.037 0.096 0.000 0.627 118 A CB -0.791 18.080 19.000 -0.216 0.000 0.818 118 A HN 0.401 nan 8.150 nan 0.000 0.445 119 S N -1.242 114.374 115.700 -0.139 0.000 2.368 119 S HA -0.120 4.350 4.470 0.000 0.000 0.225 119 S C 1.650 176.246 174.600 -0.006 0.000 1.030 119 S CA 1.378 59.477 58.200 -0.169 0.000 0.999 119 S CB -0.523 62.264 63.200 -0.689 0.000 0.844 119 S HN 0.642 nan 8.310 nan 0.000 0.459 120 F N 1.812 121.654 119.950 -0.179 0.000 2.102 120 F HA -0.123 4.404 4.527 0.000 0.000 0.298 120 F C 1.666 177.461 175.800 -0.009 0.000 1.105 120 F CA 1.347 59.250 58.000 -0.162 0.000 1.239 120 F CB -0.406 38.393 39.000 -0.334 0.000 0.991 120 F HN 0.104 nan 8.300 nan 0.000 0.474 121 F N -0.053 119.987 119.950 0.151 0.000 2.216 121 F HA -0.192 4.335 4.527 0.000 0.000 0.300 121 F C 2.586 178.356 175.800 -0.049 0.000 1.085 121 F CA 1.406 59.441 58.000 0.058 0.000 1.326 121 F CB -1.019 38.072 39.000 0.152 0.000 1.027 121 F HN 0.067 nan 8.300 nan 0.000 0.497 122 M N -1.384 118.260 119.600 0.072 0.000 2.132 122 M HA -0.218 4.262 4.480 0.000 0.000 0.263 122 M C 2.319 178.630 176.300 0.019 0.000 1.065 122 M CA 1.643 56.787 55.300 -0.259 0.000 1.122 122 M CB -0.427 31.859 32.600 -0.524 0.000 1.365 122 M HN 0.197 nan 8.290 nan 0.000 0.411 123 F N 0.244 120.222 119.950 0.048 0.000 2.095 123 F HA -0.236 4.292 4.527 0.000 0.000 0.298 123 F C 2.193 178.078 175.800 0.142 0.000 1.104 123 F CA 2.067 60.196 58.000 0.214 0.000 1.232 123 F CB -0.371 38.620 39.000 -0.015 0.000 0.987 123 F HN 0.091 nan 8.300 nan 0.000 0.475 124 V N -0.066 119.940 119.914 0.154 0.000 2.719 124 V HA 0.004 4.125 4.120 0.000 0.000 0.252 124 V C 2.175 178.329 176.094 0.100 0.000 1.065 124 V CA 1.517 63.883 62.300 0.111 0.000 1.086 124 V CB -1.052 30.779 31.823 0.014 0.000 0.700 124 V HN 0.349 nan 8.190 nan 0.000 0.467 125 A N 0.243 123.084 122.820 0.034 0.000 1.902 125 A HA -0.068 4.252 4.320 0.000 0.000 0.217 125 A C 2.357 179.925 177.584 -0.027 0.000 1.181 125 A CA 2.300 54.336 52.037 -0.001 0.000 0.623 125 A CB -0.831 18.097 19.000 -0.121 0.000 0.818 125 A HN 0.499 nan 8.150 nan 0.000 0.443 126 V N -2.315 117.456 119.914 -0.239 0.000 2.283 126 V HA -0.245 3.876 4.120 0.000 0.000 0.243 126 V C 2.258 178.219 176.094 -0.223 0.000 1.039 126 V CA 1.661 63.702 62.300 -0.432 0.000 1.016 126 V CB -1.024 30.041 31.823 -1.264 0.000 0.650 126 V HN 0.792 nan 8.190 nan 0.000 0.449 127 W N 0.923 122.107 121.300 -0.194 0.000 2.358 127 W HA -0.213 4.447 4.660 0.000 0.000 0.303 127 W C 2.927 179.526 176.519 0.133 0.000 1.208 127 W CA 1.606 58.899 57.345 -0.087 0.000 1.274 127 W CB -0.427 28.863 29.460 -0.283 0.000 1.138 127 W HN 0.371 nan 8.180 nan 0.000 0.515 128 S N -1.293 114.603 115.700 0.326 0.000 2.428 128 S HA -0.206 4.264 4.470 0.000 0.000 0.230 128 S C 1.636 176.385 174.600 0.248 0.000 1.014 128 S CA 0.705 59.063 58.200 0.263 0.000 0.957 128 S CB -1.083 62.242 63.200 0.209 0.000 0.784 128 S HN 0.470 nan 8.310 nan 0.000 0.499 129 W N 0.991 122.370 121.300 0.132 0.000 2.381 129 W HA -0.075 4.585 4.660 0.000 0.000 0.301 129 W C 1.925 178.620 176.519 0.293 0.000 1.205 129 W CA 0.956 58.388 57.345 0.144 0.000 1.285 129 W CB -0.533 28.984 29.460 0.095 0.000 1.133 129 W HN 0.487 nan 8.180 nan 0.000 0.521 130 W N 1.645 123.179 121.300 0.389 0.000 2.318 130 W HA -0.188 4.473 4.660 0.000 0.000 0.313 130 W C 2.486 179.120 176.519 0.192 0.000 1.221 130 W CA 3.556 61.082 57.345 0.301 0.000 1.266 130 W CB -0.965 28.463 29.460 -0.053 0.000 1.150 130 W HN -0.087 nan 8.180 nan 0.000 0.496 131 G N 0.227 109.101 108.800 0.122 0.000 2.476 131 G HA2 -0.378 3.582 3.960 0.000 0.000 0.218 131 G HA3 -0.378 3.582 3.960 0.000 0.000 0.218 131 G C 1.609 176.369 174.900 -0.234 0.000 1.164 131 G CA 1.269 46.299 45.100 -0.116 0.000 0.768 131 G HN 0.366 nan 8.290 nan 0.000 0.560 132 R N 0.391 120.744 120.500 -0.246 0.000 2.103 132 R HA -0.153 4.187 4.340 0.000 0.000 0.242 132 R C 2.844 178.879 176.300 -0.442 0.000 1.142 132 R CA 2.329 58.193 56.100 -0.393 0.000 0.960 132 R CB -0.643 29.254 30.300 -0.670 0.000 0.858 132 R HN 0.507 nan 8.270 nan 0.000 0.439 133 T N -2.232 112.053 114.554 -0.447 0.000 2.821 133 T HA -0.182 4.168 4.350 0.000 0.000 0.267 133 T C 1.802 176.263 174.700 -0.399 0.000 1.046 133 T CA 1.097 62.967 62.100 -0.382 0.000 1.139 133 T CB -0.585 68.147 68.868 -0.226 0.000 0.871 133 T HN 0.387 nan 8.240 nan 0.000 0.454 134 Y N 2.024 121.954 120.300 -0.616 0.000 2.114 134 Y HA 0.084 4.634 4.550 0.000 0.000 0.284 134 Y C 2.195 177.844 175.900 -0.418 0.000 1.143 134 Y CA 1.184 58.933 58.100 -0.586 0.000 1.135 134 Y CB -0.466 37.546 38.460 -0.746 0.000 0.980 134 Y HN 0.129 nan 8.280 nan 0.000 0.499 135 L N -0.360 120.790 121.223 -0.122 0.000 2.083 135 L HA -0.219 4.121 4.340 0.000 0.000 0.209 135 L C 2.497 179.201 176.870 -0.277 0.000 1.083 135 L CA 1.001 55.759 54.840 -0.136 0.000 0.752 135 L CB -0.457 41.532 42.059 -0.117 0.000 0.899 135 L HN 0.146 nan 8.230 nan 0.000 0.433 136 R N 0.106 120.399 120.500 -0.345 0.000 2.090 136 R HA -0.022 4.318 4.340 0.000 0.000 0.228 136 R C 2.288 178.387 176.300 -0.336 0.000 1.110 136 R CA 1.306 57.174 56.100 -0.387 0.000 0.973 136 R CB -0.870 29.202 30.300 -0.380 0.000 0.869 136 R HN 0.336 nan 8.270 nan 0.000 0.440 137 A N 1.216 123.822 122.820 -0.356 0.000 1.873 137 A HA -0.209 4.111 4.320 0.000 0.000 0.215 137 A C 2.229 179.606 177.584 -0.344 0.000 1.186 137 A CA 1.426 53.250 52.037 -0.354 0.000 0.616 137 A CB -0.556 18.179 19.000 -0.442 0.000 0.823 137 A HN 0.362 nan 8.150 nan 0.000 0.442 138 Q N -0.527 119.036 119.800 -0.395 0.000 2.077 138 Q HA -0.209 4.132 4.340 0.000 0.000 0.206 138 Q C 2.160 178.038 176.000 -0.203 0.000 0.989 138 Q CA 1.914 57.541 55.803 -0.294 0.000 0.853 138 Q CB -0.359 28.250 28.738 -0.216 0.000 0.907 138 Q HN 0.615 nan 8.270 nan 0.000 0.418 139 A N 0.150 122.842 122.820 -0.213 0.000 2.019 139 A HA -0.097 4.223 4.320 0.000 0.000 0.219 139 A C 1.800 179.285 177.584 -0.166 0.000 1.164 139 A CA 0.974 52.900 52.037 -0.184 0.000 0.644 139 A CB -0.284 18.570 19.000 -0.244 0.000 0.805 139 A HN 0.446 nan 8.150 nan 0.000 0.449 140 L N -1.586 119.525 121.223 -0.187 0.000 2.607 140 L HA 0.243 4.583 4.340 0.000 0.000 0.228 140 L C 1.611 178.399 176.870 -0.137 0.000 1.123 140 L CA 0.514 55.261 54.840 -0.154 0.000 0.890 140 L CB 0.100 42.061 42.059 -0.164 0.000 1.103 140 L HN 0.540 nan 8.230 nan 0.000 0.468 141 G N 0.191 108.902 108.800 -0.148 0.000 2.148 141 G HA2 -0.307 3.653 3.960 0.000 0.000 0.254 141 G HA3 -0.307 3.653 3.960 0.000 0.000 0.254 141 G C 0.272 175.089 174.900 -0.138 0.000 0.981 141 G CA 0.116 45.139 45.100 -0.128 0.000 0.670 141 G HN 0.250 nan 8.290 nan 0.000 0.528 142 M N 0.637 120.134 119.600 -0.172 0.000 2.291 142 M HA 0.519 4.999 4.480 0.000 0.000 0.324 142 M C 1.467 177.650 176.300 -0.195 0.000 1.148 142 M CA 0.187 55.388 55.300 -0.166 0.000 1.104 142 M CB 0.733 33.227 32.600 -0.177 0.000 1.483 142 M HN 0.227 nan 8.290 nan 0.000 0.467 143 G N 0.852 109.581 108.800 -0.117 0.000 2.716 143 G HA2 0.096 4.056 3.960 0.000 0.000 0.251 143 G HA3 0.096 4.056 3.960 0.000 0.000 0.251 143 G C 0.246 174.999 174.900 -0.245 0.000 1.224 143 G CA -0.503 44.540 45.100 -0.095 0.000 0.891 143 G HN 0.642 nan 8.290 nan 0.000 0.561 144 K N -0.312 119.775 120.400 -0.522 0.000 2.493 144 K HA 0.126 4.446 4.320 0.000 0.000 0.207 144 K C 1.329 177.484 176.600 -0.742 0.000 1.033 144 K CA -0.138 55.638 56.287 -0.852 0.000 1.161 144 K CB 0.076 31.745 32.500 -1.386 0.000 0.873 144 K HN 0.591 nan 8.250 nan 0.000 0.491 145 H N 0.206 119.050 119.070 -0.378 0.000 2.387 145 H HA -0.073 4.483 4.556 0.000 0.000 0.299 145 H C 1.738 177.017 175.328 -0.083 0.000 1.090 145 H CA 1.933 57.877 56.048 -0.172 0.000 1.332 145 H CB -0.207 29.481 29.762 -0.123 0.000 1.386 145 H HN 0.065 nan 8.280 nan 0.000 0.516 146 T N 0.251 114.797 114.554 -0.012 0.000 2.652 146 T HA -0.203 4.148 4.350 0.000 0.000 0.267 146 T C 2.378 177.143 174.700 0.109 0.000 1.039 146 T CA 1.558 63.659 62.100 0.002 0.000 1.153 146 T CB -0.563 68.254 68.868 -0.084 0.000 0.863 146 T HN 0.537 nan 8.240 nan 0.000 0.428 147 A N 0.069 122.906 122.820 0.028 0.000 1.969 147 A HA -0.027 4.293 4.320 0.000 0.000 0.218 147 A C 2.202 180.255 177.584 0.782 0.000 1.169 147 A CA 0.917 53.107 52.037 0.255 0.000 0.635 147 A CB -1.014 17.881 19.000 -0.175 0.000 0.810 147 A HN 0.727 nan 8.150 nan 0.000 0.445 148 W N -0.420 121.008 121.300 0.213 0.000 2.379 148 W HA -0.107 4.553 4.660 0.000 0.000 0.307 148 W C 2.803 179.369 176.519 0.079 0.000 1.200 148 W CA 0.537 57.964 57.345 0.136 0.000 1.297 148 W CB -0.102 29.340 29.460 -0.031 0.000 1.140 148 W HN 0.435 nan 8.180 nan 0.000 0.507 149 A N 0.496 123.488 122.820 0.286 0.000 1.892 149 A HA -0.297 4.023 4.320 0.000 0.000 0.218 149 A C 1.731 179.477 177.584 0.270 0.000 1.188 149 A CA 1.708 53.841 52.037 0.160 0.000 0.631 149 A CB -1.375 17.682 19.000 0.094 0.000 0.822 149 A HN 0.356 nan 8.150 nan 0.000 0.447 150 F N 0.070 120.130 119.950 0.183 0.000 2.202 150 F HA -0.114 4.414 4.527 0.000 0.000 0.301 150 F C 1.763 177.649 175.800 0.144 0.000 1.082 150 F CA 1.197 59.305 58.000 0.180 0.000 1.313 150 F CB -0.672 38.504 39.000 0.293 0.000 1.024 150 F HN 0.179 nan 8.300 nan 0.000 0.495 151 L N -0.424 120.933 121.223 0.225 0.000 2.191 151 L HA -0.134 4.206 4.340 0.000 0.000 0.212 151 L C 2.675 179.527 176.870 -0.030 0.000 1.103 151 L CA 1.860 56.648 54.840 -0.087 0.000 0.769 151 L CB -1.188 40.880 42.059 0.015 0.000 0.908 151 L HN 0.220 nan 8.230 nan 0.000 0.438 152 S N -1.331 114.407 115.700 0.062 0.000 2.387 152 S HA -0.073 4.397 4.470 0.000 0.000 0.226 152 S C 2.153 176.860 174.600 0.178 0.000 1.026 152 S CA 0.942 59.204 58.200 0.103 0.000 0.972 152 S CB -0.168 63.063 63.200 0.052 0.000 0.814 152 S HN 0.553 nan 8.310 nan 0.000 0.477 153 A N 1.442 124.351 122.820 0.149 0.000 1.898 153 A HA 0.033 4.353 4.320 0.000 0.000 0.216 153 A C 2.055 179.684 177.584 0.074 0.000 1.181 153 A CA 1.383 53.505 52.037 0.142 0.000 0.620 153 A CB -0.787 18.338 19.000 0.207 0.000 0.819 153 A HN 0.601 nan 8.150 nan 0.000 0.442 154 I N -1.145 119.363 120.570 -0.103 0.000 2.264 154 I HA -0.298 3.872 4.170 0.000 0.000 0.248 154 I C 2.480 178.670 176.117 0.122 0.000 1.111 154 I CA 1.485 62.663 61.300 -0.204 0.000 1.382 154 I CB -0.283 37.250 38.000 -0.778 0.000 1.060 154 I HN 0.779 nan 8.210 nan 0.000 0.418 155 W N 1.554 122.822 121.300 -0.054 0.000 2.355 155 W HA -0.272 4.389 4.660 0.000 0.000 0.309 155 W C 2.268 178.814 176.519 0.046 0.000 1.206 155 W CA 1.105 58.449 57.345 -0.001 0.000 1.284 155 W CB -0.269 29.175 29.460 -0.026 0.000 1.145 155 W HN 0.154 nan 8.180 nan 0.000 0.502 156 L N 1.085 122.249 121.223 -0.098 0.000 2.017 156 L HA -0.129 4.211 4.340 0.000 0.000 0.208 156 L C 2.337 179.155 176.870 -0.086 0.000 1.073 156 L CA 2.697 57.410 54.840 -0.212 0.000 0.745 156 L CB -1.729 40.313 42.059 -0.028 0.000 0.894 156 L HN 0.212 nan 8.230 nan 0.000 0.432 157 W N -0.039 121.171 121.300 -0.150 0.000 2.318 157 W HA -0.292 4.368 4.660 0.000 0.000 0.313 157 W C 2.278 178.746 176.519 -0.086 0.000 1.221 157 W CA 2.318 59.589 57.345 -0.124 0.000 1.266 157 W CB -0.265 29.096 29.460 -0.164 0.000 1.150 157 W HN 0.121 nan 8.180 nan 0.000 0.496 158 M N -0.214 119.248 119.600 -0.229 0.000 2.175 158 M HA -0.145 4.335 4.480 0.000 0.000 0.264 158 M C 1.926 178.115 176.300 -0.186 0.000 1.063 158 M CA 1.253 56.354 55.300 -0.331 0.000 1.119 158 M CB -1.494 31.109 32.600 0.006 0.000 1.377 158 M HN -0.029 nan 8.290 nan 0.000 0.415 159 V N 0.775 120.506 119.914 -0.305 0.000 2.295 159 V HA -0.271 3.850 4.120 0.000 0.000 0.246 159 V C 2.470 178.467 176.094 -0.162 0.000 1.049 159 V CA 1.519 63.617 62.300 -0.336 0.000 1.024 159 V CB -0.638 30.797 31.823 -0.648 0.000 0.648 159 V HN 0.386 nan 8.190 nan 0.000 0.447 160 L N 0.130 121.252 121.223 -0.168 0.000 2.027 160 L HA -0.049 4.291 4.340 0.000 0.000 0.206 160 L C 2.415 179.248 176.870 -0.062 0.000 1.074 160 L CA 1.874 56.654 54.840 -0.101 0.000 0.745 160 L CB -0.816 41.155 42.059 -0.145 0.000 0.898 160 L HN 0.465 nan 8.230 nan 0.000 0.433 161 G N -2.525 106.208 108.800 -0.112 0.000 2.796 161 G HA2 -0.069 3.891 3.960 0.000 0.000 0.210 161 G HA3 -0.069 3.891 3.960 0.000 0.000 0.210 161 G C 0.984 176.051 174.900 0.278 0.000 1.146 161 G CA 0.080 45.204 45.100 0.041 0.000 0.779 161 G HN 0.271 nan 8.290 nan 0.000 0.535 162 F N -0.372 119.583 119.950 0.009 0.000 2.102 162 F HA 0.356 4.883 4.527 0.000 0.000 0.254 162 F C 2.083 177.949 175.800 0.110 0.000 0.975 162 F CA -0.068 58.022 58.000 0.150 0.000 1.176 162 F CB -0.019 39.027 39.000 0.077 0.000 1.358 162 F HN -0.045 nan 8.300 nan 0.000 0.728 163 I N 0.941 121.618 120.570 0.178 0.000 2.252 163 I HA -0.208 3.962 4.170 0.000 0.000 0.245 163 I C 2.536 178.626 176.117 -0.044 0.000 1.102 163 I CA 1.495 62.819 61.300 0.041 0.000 1.385 163 I CB -0.500 37.556 38.000 0.093 0.000 1.064 163 I HN 0.167 nan 8.210 nan 0.000 0.414 164 R N 0.963 121.451 120.500 -0.020 0.000 2.066 164 R HA -0.103 4.237 4.340 0.000 0.000 0.232 164 R C -0.370 175.922 176.300 -0.014 0.000 1.131 164 R CA 1.436 57.539 56.100 0.005 0.000 0.955 164 R CB -1.082 29.258 30.300 0.068 0.000 0.851 164 R HN 0.185 nan 8.270 nan 0.000 0.432 165 P HA -0.183 nan 4.420 nan 0.000 0.215 165 P C 1.171 178.285 177.300 -0.310 0.000 1.157 165 P CA 1.485 64.529 63.100 -0.094 0.000 0.874 165 P CB -0.041 31.685 31.700 0.044 0.000 0.790 166 I N -1.591 118.745 120.570 -0.390 0.000 2.179 166 I HA -0.224 3.946 4.170 0.000 0.000 0.242 166 I C 2.229 178.177 176.117 -0.281 0.000 1.088 166 I CA 1.344 62.363 61.300 -0.468 0.000 1.357 166 I CB -0.562 37.140 38.000 -0.498 0.000 1.051 166 I HN -0.102 nan 8.210 nan 0.000 0.409 167 L N -0.375 120.742 121.223 -0.177 0.000 2.141 167 L HA -0.187 4.153 4.340 0.000 0.000 0.209 167 L C 2.365 179.173 176.870 -0.103 0.000 1.094 167 L CA 0.860 55.635 54.840 -0.109 0.000 0.763 167 L CB -0.353 41.673 42.059 -0.054 0.000 0.908 167 L HN 0.303 nan 8.230 nan 0.000 0.437 168 M N -0.861 118.673 119.600 -0.110 0.000 2.558 168 M HA 0.134 4.614 4.480 0.000 0.000 0.255 168 M C 1.612 177.829 176.300 -0.139 0.000 1.113 168 M CA 0.993 56.238 55.300 -0.092 0.000 1.097 168 M CB -0.726 31.845 32.600 -0.048 0.000 1.426 168 M HN 0.410 nan 8.290 nan 0.000 0.488 169 G N 1.669 110.343 108.800 -0.210 0.000 2.143 169 G HA2 -0.215 3.745 3.960 0.000 0.000 0.249 169 G HA3 -0.215 3.745 3.960 0.000 0.000 0.249 169 G C 0.138 174.855 174.900 -0.306 0.000 0.981 169 G CA 0.490 45.444 45.100 -0.243 0.000 0.665 169 G HN 0.680 nan 8.290 nan 0.000 0.528 170 S N -2.312 113.176 115.700 -0.352 0.000 2.537 170 S HA 0.512 4.983 4.470 0.000 0.000 0.271 170 S C 0.291 174.687 174.600 -0.339 0.000 1.148 170 S CA -0.154 57.829 58.200 -0.362 0.000 0.868 170 S CB 0.494 63.593 63.200 -0.168 0.000 1.115 170 S HN 0.434 nan 8.310 nan 0.000 0.461 171 W N 1.581 122.798 121.300 -0.138 0.000 2.525 171 W HA -0.019 4.641 4.660 0.000 0.000 0.259 171 W C 2.582 178.914 176.519 -0.313 0.000 1.253 171 W CA 0.615 57.833 57.345 -0.212 0.000 1.262 171 W CB -0.101 29.223 29.460 -0.227 0.000 1.122 171 W HN 0.926 nan 8.180 nan 0.000 0.607 172 S N 0.017 115.706 115.700 -0.019 0.000 2.419 172 S HA -0.187 4.283 4.470 0.000 0.000 0.233 172 S C 1.482 176.089 174.600 0.012 0.000 1.016 172 S CA 1.129 59.296 58.200 -0.055 0.000 0.974 172 S CB -0.324 62.866 63.200 -0.017 0.000 0.786 172 S HN 0.238 nan 8.310 nan 0.000 0.492 173 E N 2.009 122.245 120.200 0.059 0.000 2.268 173 E HA 0.199 4.549 4.350 0.000 0.000 0.195 173 E C 1.233 178.036 176.600 0.338 0.000 0.995 173 E CA 0.675 57.197 56.400 0.203 0.000 0.836 173 E CB -0.569 29.223 29.700 0.153 0.000 0.763 173 E HN 0.730 nan 8.360 nan 0.000 0.491 174 A N 1.035 123.926 122.820 0.118 0.000 2.310 174 A HA 0.244 4.565 4.320 0.000 0.000 0.260 174 A C 0.392 177.819 177.584 -0.261 0.000 1.112 174 A CA -0.379 51.678 52.037 0.032 0.000 0.804 174 A CB 0.516 19.590 19.000 0.124 0.000 1.081 174 A HN -0.032 nan 8.150 nan 0.000 0.499 175 V N 2.445 122.065 119.914 -0.491 0.000 2.546 175 V HA 0.326 4.446 4.120 0.000 0.000 0.284 175 V C -1.891 173.972 176.094 -0.384 0.000 1.050 175 V CA -1.135 60.621 62.300 -0.906 0.000 0.981 175 V CB 1.033 32.315 31.823 -0.903 0.000 0.990 175 V HN 0.838 nan 8.190 nan 0.000 0.474 176 P HA 0.197 nan 4.420 nan 0.000 0.277 176 P C -1.277 175.999 177.300 -0.040 0.000 1.240 176 P CA -0.327 62.737 63.100 -0.061 0.000 0.798 176 P CB 0.440 32.189 31.700 0.081 0.000 0.979 177 Y N 0.960 121.474 120.300 0.357 0.000 2.600 177 Y HA 0.556 5.106 4.550 0.000 0.000 0.351 177 Y C 1.377 177.474 175.900 0.329 0.000 1.042 177 Y CA 0.117 58.367 58.100 0.250 0.000 1.333 177 Y CB 0.386 38.912 38.460 0.109 0.000 1.172 177 Y HN 0.516 nan 8.280 nan 0.000 0.517 178 G N 1.789 110.828 108.800 0.398 0.000 2.616 178 G HA2 0.306 4.266 3.960 0.000 0.000 0.294 178 G HA3 0.306 4.266 3.960 0.000 0.000 0.294 178 G C -0.136 174.917 174.900 0.255 0.000 1.489 178 G CA -0.739 44.605 45.100 0.407 0.000 0.836 178 G HN 0.259 nan 8.290 nan 0.000 0.527 179 I N 0.770 121.418 120.570 0.131 0.000 2.072 179 I HA -0.009 4.161 4.170 0.000 0.000 0.235 179 I C 2.577 178.832 176.117 0.230 0.000 1.058 179 I CA 1.329 62.636 61.300 0.012 0.000 1.320 179 I CB -1.034 36.697 38.000 -0.449 0.000 1.047 179 I HN 0.461 nan 8.210 nan 0.000 0.397 180 F N 1.794 121.725 119.950 -0.033 0.000 2.186 180 F HA -0.137 4.390 4.527 0.000 0.000 0.299 180 F C 2.971 178.795 175.800 0.041 0.000 1.090 180 F CA 1.217 59.174 58.000 -0.072 0.000 1.307 180 F CB -1.680 37.159 39.000 -0.268 0.000 1.019 180 F HN 0.192 nan 8.300 nan 0.000 0.489 181 S N -0.343 115.534 115.700 0.294 0.000 2.402 181 S HA -0.226 4.244 4.470 0.000 0.000 0.229 181 S C 2.097 176.887 174.600 0.316 0.000 1.021 181 S CA 1.261 59.624 58.200 0.272 0.000 0.974 181 S CB -1.220 62.137 63.200 0.262 0.000 0.800 181 S HN 0.629 nan 8.310 nan 0.000 0.484 182 H N 2.765 121.958 119.070 0.204 0.000 2.387 182 H HA 0.057 4.613 4.556 0.000 0.000 0.299 182 H C 1.898 177.382 175.328 0.260 0.000 1.090 182 H CA 1.520 57.688 56.048 0.200 0.000 1.332 182 H CB -0.695 29.146 29.762 0.132 0.000 1.386 182 H HN 0.447 nan 8.280 nan 0.000 0.516 183 L N 0.748 121.921 121.223 -0.084 0.000 2.046 183 L HA -0.148 4.192 4.340 0.000 0.000 0.208 183 L C 2.401 179.294 176.870 0.040 0.000 1.077 183 L CA 1.397 56.179 54.840 -0.096 0.000 0.747 183 L CB -0.413 41.611 42.059 -0.058 0.000 0.896 183 L HN 0.175 nan 8.230 nan 0.000 0.432 184 D N -0.565 119.898 120.400 0.104 0.000 2.117 184 D HA -0.231 4.409 4.640 0.000 0.000 0.197 184 D C 1.768 178.157 176.300 0.148 0.000 0.987 184 D CA 1.115 55.173 54.000 0.097 0.000 0.829 184 D CB -0.326 40.541 40.800 0.111 0.000 0.961 184 D HN 0.411 nan 8.370 nan 0.000 0.460 185 W N 1.871 123.205 121.300 0.056 0.000 2.321 185 W HA -0.257 4.403 4.660 0.000 0.000 0.306 185 W C 2.195 178.775 176.519 0.102 0.000 1.217 185 W CA 2.371 59.768 57.345 0.088 0.000 1.257 185 W CB -0.348 29.176 29.460 0.106 0.000 1.145 185 W HN -0.128 nan 8.180 nan 0.000 0.509 186 T N -0.031 114.698 114.554 0.291 0.000 2.812 186 T HA -0.251 4.099 4.350 0.000 0.000 0.264 186 T C 1.720 176.413 174.700 -0.013 0.000 1.042 186 T CA 1.484 63.664 62.100 0.134 0.000 1.140 186 T CB -0.711 68.237 68.868 0.133 0.000 0.870 186 T HN 0.395 nan 8.240 nan 0.000 0.445 187 N N 1.268 119.959 118.700 -0.015 0.000 2.084 187 N HA -0.189 4.551 4.740 0.000 0.000 0.190 187 N C 1.926 177.391 175.510 -0.075 0.000 1.030 187 N CA 1.570 54.590 53.050 -0.051 0.000 0.849 187 N CB -0.233 38.228 38.487 -0.044 0.000 1.012 187 N HN 0.256 nan 8.380 nan 0.000 0.423 188 N N 0.139 118.783 118.700 -0.093 0.000 2.069 188 N HA -0.184 4.556 4.740 0.000 0.000 0.191 188 N C 1.701 177.093 175.510 -0.195 0.000 1.031 188 N CA 1.160 54.124 53.050 -0.144 0.000 0.852 188 N CB -0.558 37.839 38.487 -0.152 0.000 1.018 188 N HN 0.250 nan 8.380 nan 0.000 0.423 189 F N 0.677 120.360 119.950 -0.445 0.000 2.091 189 F HA -0.209 4.318 4.527 0.000 0.000 0.299 189 F C 2.754 178.523 175.800 -0.053 0.000 1.103 189 F CA 1.893 59.660 58.000 -0.388 0.000 1.228 189 F CB -0.982 37.546 39.000 -0.786 0.000 0.984 189 F HN 0.107 nan 8.300 nan 0.000 0.477 190 S N -0.096 115.681 115.700 0.129 0.000 2.355 190 S HA -0.142 4.329 4.470 0.000 0.000 0.222 190 S C 2.053 176.649 174.600 -0.007 0.000 1.031 190 S CA 1.241 59.482 58.200 0.068 0.000 0.993 190 S CB -0.580 62.572 63.200 -0.080 0.000 0.859 190 S HN 0.259 nan 8.310 nan 0.000 0.453 191 L N 1.702 122.881 121.223 -0.073 0.000 2.013 191 L HA -0.016 4.324 4.340 0.000 0.000 0.212 191 L C 2.503 179.295 176.870 -0.131 0.000 1.073 191 L CA 1.434 56.220 54.840 -0.091 0.000 0.753 191 L CB -1.395 40.603 42.059 -0.102 0.000 0.890 191 L HN 0.242 nan 8.230 nan 0.000 0.432 192 V N -0.911 118.864 119.914 -0.232 0.000 3.141 192 V HA -0.169 3.951 4.120 0.000 0.000 0.265 192 V C 1.489 177.248 176.094 -0.558 0.000 1.126 192 V CA 0.961 63.022 62.300 -0.399 0.000 1.141 192 V CB -0.702 30.808 31.823 -0.521 0.000 0.743 192 V HN 0.523 nan 8.190 nan 0.000 0.492 193 H N -0.743 118.213 119.070 -0.190 0.000 2.512 193 H HA 0.344 4.900 4.556 0.000 0.000 0.276 193 H C 1.637 177.013 175.328 0.080 0.000 1.126 193 H CA 0.679 56.666 56.048 -0.101 0.000 1.060 193 H CB 0.599 30.307 29.762 -0.091 0.000 1.646 193 H HN 0.405 nan 8.280 nan 0.000 0.571 194 G N 2.206 111.080 108.800 0.124 0.000 2.137 194 G HA2 -0.311 3.650 3.960 0.000 0.000 0.237 194 G HA3 -0.311 3.650 3.960 0.000 0.000 0.237 194 G C -0.174 174.921 174.900 0.326 0.000 1.002 194 G CA 0.224 45.433 45.100 0.181 0.000 0.702 194 G HN 0.560 nan 8.290 nan 0.000 0.515 195 N N -1.648 117.192 118.700 0.233 0.000 2.923 195 N HA -0.131 4.609 4.740 0.000 0.000 0.266 195 N C 0.938 176.546 175.510 0.163 0.000 1.595 195 N CA 0.748 53.894 53.050 0.161 0.000 1.455 195 N CB -1.206 37.444 38.487 0.272 0.000 0.816 195 N HN 0.438 nan 8.380 nan 0.000 0.485 196 L N 2.424 123.581 121.223 -0.111 0.000 2.349 196 L HA -0.120 4.220 4.340 0.000 0.000 0.220 196 L C 1.576 178.305 176.870 -0.236 0.000 1.130 196 L CA 0.850 55.518 54.840 -0.286 0.000 0.791 196 L CB -0.389 41.289 42.059 -0.635 0.000 0.918 196 L HN 0.450 nan 8.230 nan 0.000 0.444 197 F N -1.076 118.727 119.950 -0.245 0.000 2.494 197 F HA -0.194 4.334 4.527 0.000 0.000 0.298 197 F C 1.729 177.386 175.800 -0.237 0.000 1.106 197 F CA 0.715 58.580 58.000 -0.225 0.000 1.452 197 F CB -0.805 38.003 39.000 -0.320 0.000 1.085 197 F HN 0.112 nan 8.300 nan 0.000 0.569 198 Y N -1.268 119.193 120.300 0.268 0.000 2.458 198 Y HA 0.130 4.680 4.550 0.000 0.000 0.256 198 Y C 0.888 176.904 175.900 0.193 0.000 1.159 198 Y CA -0.600 57.683 58.100 0.305 0.000 1.261 198 Y CB -0.520 38.207 38.460 0.445 0.000 1.119 198 Y HN -0.053 nan 8.280 nan 0.000 0.524 199 N N 2.833 121.478 118.700 -0.090 0.000 2.406 199 N HA 0.054 4.794 4.740 0.000 0.000 0.251 199 N C -1.863 173.418 175.510 -0.382 0.000 1.069 199 N CA -1.573 50.963 53.050 -0.856 0.000 0.947 199 N CB 1.159 38.737 38.487 -1.515 0.000 1.111 199 N HN -0.092 nan 8.380 nan 0.000 0.497 200 P HA -0.138 nan 4.420 nan 0.000 0.218 200 P C 0.764 177.897 177.300 -0.278 0.000 1.149 200 P CA 1.143 64.122 63.100 -0.202 0.000 0.817 200 P CB 0.000 31.595 31.700 -0.176 0.000 0.785 201 F N -0.706 119.131 119.950 -0.189 0.000 2.269 201 F HA -0.137 4.391 4.527 0.000 0.000 0.301 201 F C 2.793 178.562 175.800 -0.052 0.000 1.082 201 F CA 1.137 59.085 58.000 -0.087 0.000 1.360 201 F CB -1.252 37.696 39.000 -0.088 0.000 1.041 201 F HN 0.130 nan 8.300 nan 0.000 0.512 202 H N -0.311 118.731 119.070 -0.047 0.000 2.372 202 H HA -0.014 4.543 4.556 0.000 0.000 0.301 202 H C 2.393 177.707 175.328 -0.024 0.000 1.065 202 H CA 1.338 57.365 56.048 -0.034 0.000 1.364 202 H CB -0.341 29.374 29.762 -0.079 0.000 1.406 202 H HN 0.308 nan 8.280 nan 0.000 0.521 203 G N 1.013 109.817 108.800 0.006 0.000 2.408 203 G HA2 -0.163 3.797 3.960 0.000 0.000 0.217 203 G HA3 -0.163 3.797 3.960 0.000 0.000 0.217 203 G C 1.980 176.787 174.900 -0.154 0.000 1.150 203 G CA 0.442 45.494 45.100 -0.081 0.000 0.776 203 G HN 0.322 nan 8.290 nan 0.000 0.542 204 L N 0.423 121.591 121.223 -0.092 0.000 2.056 204 L HA -0.058 4.282 4.340 0.000 0.000 0.207 204 L C 3.096 179.976 176.870 0.017 0.000 1.078 204 L CA 1.204 55.997 54.840 -0.079 0.000 0.749 204 L CB -0.374 41.757 42.059 0.120 0.000 0.901 204 L HN 0.309 nan 8.230 nan 0.000 0.433 205 S N 0.025 115.771 115.700 0.076 0.000 2.383 205 S HA -0.163 4.307 4.470 0.000 0.000 0.229 205 S C 1.941 176.487 174.600 -0.090 0.000 1.030 205 S CA 1.206 59.461 58.200 0.091 0.000 1.002 205 S CB -0.212 63.001 63.200 0.022 0.000 0.829 205 S HN 0.272 nan 8.310 nan 0.000 0.467 206 I N 1.320 121.711 120.570 -0.299 0.000 2.202 206 I HA -0.153 4.017 4.170 0.000 0.000 0.242 206 I C 2.759 178.541 176.117 -0.558 0.000 1.091 206 I CA 1.040 62.026 61.300 -0.522 0.000 1.368 206 I CB -0.572 37.054 38.000 -0.623 0.000 1.058 206 I HN 0.344 nan 8.210 nan 0.000 0.410 207 A N 0.965 123.532 122.820 -0.421 0.000 1.892 207 A HA -0.251 4.069 4.320 0.000 0.000 0.218 207 A C 2.055 179.471 177.584 -0.281 0.000 1.188 207 A CA 1.919 53.730 52.037 -0.376 0.000 0.631 207 A CB -1.058 17.633 19.000 -0.516 0.000 0.822 207 A HN 0.365 nan 8.150 nan 0.000 0.447 208 F N -1.091 118.847 119.950 -0.020 0.000 2.259 208 F HA -0.016 4.511 4.527 0.000 0.000 0.298 208 F C 1.990 177.824 175.800 0.058 0.000 1.088 208 F CA 0.985 59.014 58.000 0.048 0.000 1.358 208 F CB -0.659 38.386 39.000 0.075 0.000 1.040 208 F HN 0.240 nan 8.300 nan 0.000 0.505 209 L N -1.052 120.258 121.223 0.145 0.000 2.027 209 L HA -0.207 4.134 4.340 0.000 0.000 0.206 209 L C 2.214 179.221 176.870 0.227 0.000 1.074 209 L CA 1.829 56.751 54.840 0.136 0.000 0.745 209 L CB -0.954 41.131 42.059 0.043 0.000 0.898 209 L HN 0.035 nan 8.230 nan 0.000 0.433 210 Y N 0.058 120.396 120.300 0.064 0.000 2.242 210 Y HA 0.003 4.553 4.550 0.000 0.000 0.291 210 Y C 2.553 178.490 175.900 0.061 0.000 1.137 210 Y CA 0.656 58.784 58.100 0.047 0.000 1.181 210 Y CB -1.579 36.886 38.460 0.008 0.000 0.989 210 Y HN 0.255 nan 8.280 nan 0.000 0.527 211 G N -1.125 107.813 108.800 0.231 0.000 2.432 211 G HA2 -0.215 3.745 3.960 0.000 0.000 0.219 211 G HA3 -0.215 3.745 3.960 0.000 0.000 0.219 211 G C 1.929 176.936 174.900 0.179 0.000 1.135 211 G CA 1.184 46.390 45.100 0.176 0.000 0.767 211 G HN 0.376 nan 8.290 nan 0.000 0.550 212 S N 0.724 116.549 115.700 0.209 0.000 2.402 212 S HA 0.063 4.534 4.470 0.000 0.000 0.229 212 S C 2.655 177.381 174.600 0.210 0.000 1.021 212 S CA 1.096 59.412 58.200 0.193 0.000 0.974 212 S CB -0.145 63.174 63.200 0.199 0.000 0.800 212 S HN 0.581 nan 8.310 nan 0.000 0.484 213 A N 1.169 124.108 122.820 0.198 0.000 1.903 213 A HA 0.162 4.482 4.320 0.000 0.000 0.213 213 A C 2.010 179.682 177.584 0.147 0.000 1.185 213 A CA 0.665 52.810 52.037 0.180 0.000 0.628 213 A CB -0.632 18.454 19.000 0.142 0.000 0.830 213 A HN 0.392 nan 8.150 nan 0.000 0.446 214 L N -0.343 120.950 121.223 0.117 0.000 1.990 214 L HA -0.182 4.158 4.340 0.000 0.000 0.213 214 L C 2.196 179.105 176.870 0.065 0.000 1.072 214 L CA 2.316 57.201 54.840 0.075 0.000 0.755 214 L CB -0.765 41.326 42.059 0.054 0.000 0.889 214 L HN 0.320 nan 8.230 nan 0.000 0.432 215 L N -1.559 119.702 121.223 0.063 0.000 2.027 215 L HA -0.155 4.185 4.340 0.000 0.000 0.206 215 L C 2.308 179.251 176.870 0.123 0.000 1.074 215 L CA 1.707 56.552 54.840 0.009 0.000 0.745 215 L CB -1.083 40.969 42.059 -0.011 0.000 0.898 215 L HN 0.292 nan 8.230 nan 0.000 0.433 216 F N 0.275 120.256 119.950 0.053 0.000 2.186 216 F HA -0.093 4.434 4.527 0.000 0.000 0.299 216 F C 2.436 178.275 175.800 0.065 0.000 1.090 216 F CA 0.819 58.869 58.000 0.084 0.000 1.307 216 F CB -1.079 37.974 39.000 0.088 0.000 1.019 216 F HN 0.201 nan 8.300 nan 0.000 0.489 217 A N -0.025 122.940 122.820 0.242 0.000 1.883 217 A HA -0.251 4.069 4.320 0.000 0.000 0.217 217 A C 2.357 180.026 177.584 0.141 0.000 1.186 217 A CA 1.958 54.073 52.037 0.130 0.000 0.624 217 A CB -0.803 18.251 19.000 0.090 0.000 0.822 217 A HN 0.384 nan 8.150 nan 0.000 0.444 218 M N -1.904 117.780 119.600 0.141 0.000 2.082 218 M HA -0.236 4.244 4.480 0.000 0.000 0.258 218 M C 2.322 178.737 176.300 0.191 0.000 1.071 218 M CA 2.355 57.750 55.300 0.159 0.000 1.103 218 M CB -0.562 31.961 32.600 -0.129 0.000 1.307 218 M HN 0.739 nan 8.290 nan 0.000 0.409 219 H N -0.385 118.723 119.070 0.064 0.000 2.299 219 H HA -0.016 4.540 4.556 0.000 0.000 0.302 219 H C 1.949 177.362 175.328 0.140 0.000 1.078 219 H CA 2.175 58.259 56.048 0.061 0.000 1.323 219 H CB -0.717 29.025 29.762 -0.033 0.000 1.381 219 H HN 0.322 nan 8.280 nan 0.000 0.498 220 G N 0.058 108.952 108.800 0.157 0.000 2.469 220 G HA2 -0.303 3.657 3.960 0.000 0.000 0.219 220 G HA3 -0.303 3.657 3.960 0.000 0.000 0.219 220 G C 1.890 176.745 174.900 -0.075 0.000 1.150 220 G CA 1.163 46.260 45.100 -0.006 0.000 0.763 220 G HN 0.632 nan 8.290 nan 0.000 0.561 221 A N -0.137 122.670 122.820 -0.022 0.000 1.969 221 A HA 0.053 4.373 4.320 0.000 0.000 0.218 221 A C 2.514 180.039 177.584 -0.098 0.000 1.169 221 A CA 2.318 54.317 52.037 -0.064 0.000 0.635 221 A CB -0.687 18.295 19.000 -0.031 0.000 0.810 221 A HN 0.304 nan 8.150 nan 0.000 0.445 222 T N 0.435 114.967 114.554 -0.037 0.000 2.732 222 T HA -0.060 4.290 4.350 0.000 0.000 0.261 222 T C 1.820 176.478 174.700 -0.070 0.000 1.040 222 T CA 1.317 63.401 62.100 -0.026 0.000 1.145 222 T CB -0.251 68.745 68.868 0.213 0.000 0.866 222 T HN 0.301 nan 8.240 nan 0.000 0.427 223 I N 1.381 121.874 120.570 -0.127 0.000 2.208 223 I HA -0.108 4.062 4.170 0.000 0.000 0.245 223 I C 2.379 178.436 176.117 -0.101 0.000 1.097 223 I CA 1.359 62.586 61.300 -0.122 0.000 1.363 223 I CB -1.288 36.582 38.000 -0.217 0.000 1.051 223 I HN 0.277 nan 8.210 nan 0.000 0.413 224 L N 0.645 121.789 121.223 -0.132 0.000 2.046 224 L HA -0.183 4.158 4.340 0.000 0.000 0.208 224 L C 2.824 179.612 176.870 -0.136 0.000 1.077 224 L CA 1.415 56.168 54.840 -0.145 0.000 0.747 224 L CB -0.781 41.174 42.059 -0.173 0.000 0.896 224 L HN 0.193 nan 8.230 nan 0.000 0.432 225 A N 0.066 122.806 122.820 -0.132 0.000 1.972 225 A HA -0.137 4.184 4.320 0.000 0.000 0.219 225 A C 1.945 179.497 177.584 -0.054 0.000 1.169 225 A CA 1.857 53.819 52.037 -0.125 0.000 0.635 225 A CB -0.655 18.234 19.000 -0.184 0.000 0.810 225 A HN 0.376 nan 8.150 nan 0.000 0.446 226 V N -1.746 118.173 119.914 0.009 0.000 3.444 226 V HA 0.124 4.244 4.120 0.000 0.000 0.308 226 V C 1.605 177.741 176.094 0.069 0.000 1.371 226 V CA 0.911 63.315 62.300 0.173 0.000 1.141 226 V CB -0.765 31.214 31.823 0.259 0.000 1.037 226 V HN 0.556 nan 8.190 nan 0.000 0.433 227 S N 2.329 117.996 115.700 -0.055 0.000 2.447 227 S HA -0.219 4.251 4.470 0.000 0.000 0.233 227 S C 1.917 176.442 174.600 -0.126 0.000 1.006 227 S CA 1.192 59.353 58.200 -0.065 0.000 0.957 227 S CB -0.726 62.425 63.200 -0.082 0.000 0.773 227 S HN 0.874 nan 8.310 nan 0.000 0.507 228 R N 0.321 120.652 120.500 -0.282 0.000 2.357 228 R HA 0.101 4.442 4.340 0.000 0.000 0.202 228 R C 0.115 176.031 176.300 -0.641 0.000 1.047 228 R CA 0.832 56.657 56.100 -0.458 0.000 1.034 228 R CB -0.708 29.225 30.300 -0.612 0.000 0.875 228 R HN 0.560 nan 8.270 nan 0.000 0.473 229 F N -0.395 119.553 119.950 -0.003 0.000 2.775 229 F HA 0.431 4.958 4.527 0.000 0.000 0.313 229 F C 1.121 176.921 175.800 0.001 0.000 1.121 229 F CA -0.219 57.780 58.000 -0.000 0.000 1.206 229 F CB 1.512 40.509 39.000 -0.004 0.000 1.052 229 F HN 0.160 nan 8.300 nan 0.000 0.524 230 G N 0.704 109.557 108.800 0.088 0.000 2.143 230 G HA2 -0.297 3.663 3.960 0.000 0.000 0.248 230 G HA3 -0.297 3.663 3.960 0.000 0.000 0.248 230 G C 1.428 176.375 174.900 0.078 0.000 0.991 230 G CA 0.216 45.357 45.100 0.068 0.000 0.689 230 G HN 0.664 nan 8.290 nan 0.000 0.522 231 G N 1.160 110.021 108.800 0.102 0.000 2.507 231 G HA2 -0.190 3.770 3.960 0.000 0.000 0.221 231 G HA3 -0.190 3.770 3.960 0.000 0.000 0.221 231 G C 1.477 176.415 174.900 0.062 0.000 1.119 231 G CA 1.677 46.832 45.100 0.092 0.000 0.751 231 G HN 0.935 nan 8.290 nan 0.000 0.574 232 E N 0.979 121.198 120.200 0.032 0.000 2.482 232 E HA -0.060 4.290 4.350 0.000 0.000 0.196 232 E C 0.939 177.559 176.600 0.032 0.000 1.047 232 E CA -0.018 56.397 56.400 0.025 0.000 0.869 232 E CB -0.214 29.481 29.700 -0.008 0.000 0.836 232 E HN 0.324 nan 8.360 nan 0.000 0.520 233 R N 1.720 122.239 120.500 0.033 0.000 3.268 233 R HA 0.136 4.476 4.340 0.000 0.000 0.217 233 R C 0.819 177.137 176.300 0.030 0.000 1.568 233 R CA 0.005 56.119 56.100 0.023 0.000 1.322 233 R CB 0.125 30.437 30.300 0.020 0.000 1.280 233 R HN 0.258 nan 8.270 nan 0.000 0.667 234 E N 1.025 121.243 120.200 0.030 0.000 2.072 234 E HA -0.164 4.187 4.350 0.000 0.000 0.190 234 E C 1.379 177.985 176.600 0.010 0.000 0.982 234 E CA 0.926 57.356 56.400 0.049 0.000 0.803 234 E CB 0.064 29.809 29.700 0.075 0.000 0.755 234 E HN 0.469 nan 8.360 nan 0.000 0.453 235 L N 0.928 122.133 121.223 -0.030 0.000 2.042 235 L HA -0.212 4.128 4.340 0.000 0.000 0.210 235 L C 2.550 179.412 176.870 -0.013 0.000 1.076 235 L CA 1.123 55.940 54.840 -0.038 0.000 0.749 235 L CB -0.215 41.812 42.059 -0.055 0.000 0.893 235 L HN 0.092 nan 8.230 nan 0.000 0.432 236 E N -0.375 119.823 120.200 -0.003 0.000 2.152 236 E HA -0.175 4.176 4.350 0.000 0.000 0.192 236 E C 2.223 178.832 176.600 0.016 0.000 0.983 236 E CA 0.885 57.288 56.400 0.005 0.000 0.818 236 E CB 0.082 29.786 29.700 0.007 0.000 0.758 236 E HN 0.334 nan 8.360 nan 0.000 0.467 237 Q N -0.242 119.574 119.800 0.028 0.000 2.230 237 Q HA -0.063 4.277 4.340 0.000 0.000 0.202 237 Q C 2.278 178.300 176.000 0.037 0.000 0.963 237 Q CA 0.828 56.654 55.803 0.038 0.000 0.866 237 Q CB 0.035 28.808 28.738 0.058 0.000 0.931 237 Q HN 0.432 nan 8.270 nan 0.000 0.452 238 I N 0.537 121.127 120.570 0.033 0.000 2.202 238 I HA -0.244 3.926 4.170 0.000 0.000 0.242 238 I C 2.277 178.405 176.117 0.018 0.000 1.091 238 I CA 1.154 62.471 61.300 0.028 0.000 1.368 238 I CB -0.273 37.736 38.000 0.014 0.000 1.058 238 I HN 0.061 nan 8.210 nan 0.000 0.410 239 A N -0.992 121.834 122.820 0.009 0.000 2.016 239 A HA -0.130 4.190 4.320 0.000 0.000 0.217 239 A C 0.799 178.388 177.584 0.009 0.000 1.162 239 A CA 1.336 53.376 52.037 0.005 0.000 0.662 239 A CB -0.018 18.981 19.000 -0.001 0.000 0.812 239 A HN 0.406 nan 8.150 nan 0.000 0.450 240 D N -1.212 119.196 120.400 0.013 0.000 2.752 240 D HA 0.111 4.751 4.640 0.000 0.000 0.242 240 D C -0.424 175.886 176.300 0.016 0.000 1.295 240 D CA -0.430 53.578 54.000 0.013 0.000 0.846 240 D CB -0.113 40.694 40.800 0.011 0.000 1.454 240 D HN 0.242 nan 8.370 nan 0.000 0.535 241 R N 0.896 121.406 120.500 0.017 0.000 2.474 241 R HA 0.271 4.611 4.340 0.000 0.000 0.290 241 R C 0.356 176.661 176.300 0.008 0.000 0.918 241 R CA 0.841 56.951 56.100 0.016 0.000 1.130 241 R CB 0.244 30.553 30.300 0.015 0.000 0.881 241 R HN 0.369 nan 8.270 nan 0.000 0.416 242 G N 0.845 109.649 108.800 0.007 0.000 2.667 242 G HA2 0.096 4.056 3.960 0.000 0.000 0.310 242 G HA3 0.096 4.056 3.960 0.000 0.000 0.310 242 G C 0.497 175.368 174.900 -0.048 0.000 1.259 242 G CA -0.289 44.807 45.100 -0.005 0.000 1.019 242 G HN 0.585 nan 8.290 nan 0.000 0.496 243 T N -0.371 114.127 114.554 -0.094 0.000 2.897 243 T HA -0.087 4.264 4.350 0.000 0.000 0.271 243 T C 2.543 177.060 174.700 -0.306 0.000 1.084 243 T CA 2.409 64.374 62.100 -0.225 0.000 1.123 243 T CB -0.518 68.162 68.868 -0.313 0.000 0.865 243 T HN 0.665 nan 8.240 nan 0.000 0.496 244 A N 1.135 123.870 122.820 -0.142 0.000 1.865 244 A HA 0.137 4.457 4.320 0.000 0.000 0.217 244 A C 2.739 180.317 177.584 -0.010 0.000 1.191 244 A CA 2.113 54.148 52.037 -0.003 0.000 0.623 244 A CB -1.419 17.680 19.000 0.164 0.000 0.826 244 A HN 0.654 nan 8.150 nan 0.000 0.444 245 A N -0.624 122.200 122.820 0.006 0.000 1.972 245 A HA -0.134 4.186 4.320 0.000 0.000 0.219 245 A C 1.921 179.499 177.584 -0.010 0.000 1.169 245 A CA 1.621 53.673 52.037 0.026 0.000 0.635 245 A CB -0.445 18.579 19.000 0.040 0.000 0.810 245 A HN 0.675 nan 8.150 nan 0.000 0.446 246 E N -0.491 119.672 120.200 -0.062 0.000 2.051 246 E HA -0.117 4.233 4.350 0.000 0.000 0.189 246 E C 2.282 178.790 176.600 -0.152 0.000 0.979 246 E CA 0.811 57.155 56.400 -0.093 0.000 0.803 246 E CB -0.140 29.497 29.700 -0.104 0.000 0.761 246 E HN 0.550 nan 8.360 nan 0.000 0.451 247 R N 0.692 121.075 120.500 -0.195 0.000 2.115 247 R HA -0.057 4.283 4.340 0.000 0.000 0.230 247 R C 2.292 178.506 176.300 -0.144 0.000 1.111 247 R CA 1.007 56.971 56.100 -0.227 0.000 0.976 247 R CB -0.225 29.913 30.300 -0.269 0.000 0.870 247 R HN 0.084 nan 8.270 nan 0.000 0.445 248 A N 1.468 124.257 122.820 -0.050 0.000 1.855 248 A HA -0.045 4.275 4.320 0.000 0.000 0.215 248 A C 2.416 180.076 177.584 0.127 0.000 1.191 248 A CA 1.449 53.521 52.037 0.059 0.000 0.613 248 A CB -0.732 18.332 19.000 0.107 0.000 0.829 248 A HN 0.351 nan 8.150 nan 0.000 0.442 249 A N -0.434 122.420 122.820 0.058 0.000 1.940 249 A HA -0.080 4.240 4.320 0.000 0.000 0.219 249 A C 2.145 179.685 177.584 -0.074 0.000 1.176 249 A CA 1.655 53.720 52.037 0.047 0.000 0.631 249 A CB -0.568 18.442 19.000 0.016 0.000 0.814 249 A HN 0.475 nan 8.150 nan 0.000 0.446 250 L N -2.422 118.637 121.223 -0.274 0.000 2.270 250 L HA -0.008 4.333 4.340 0.000 0.000 0.210 250 L C 2.325 178.689 176.870 -0.844 0.000 1.104 250 L CA 0.719 55.147 54.840 -0.688 0.000 0.804 250 L CB -0.405 41.044 42.059 -1.017 0.000 0.937 250 L HN 0.499 nan 8.230 nan 0.000 0.450 251 F N 0.224 119.805 119.950 -0.615 0.000 2.091 251 F HA -0.291 4.236 4.527 0.000 0.000 0.299 251 F C 1.935 177.428 175.800 -0.513 0.000 1.103 251 F CA 1.875 59.528 58.000 -0.578 0.000 1.228 251 F CB -0.354 38.242 39.000 -0.674 0.000 0.984 251 F HN -0.003 nan 8.300 nan 0.000 0.477 252 W N 0.225 121.464 121.300 -0.102 0.000 2.476 252 W HA 0.019 4.679 4.660 0.000 0.000 0.281 252 W C 2.776 179.165 176.519 -0.217 0.000 1.230 252 W CA 0.954 58.209 57.345 -0.150 0.000 1.287 252 W CB -0.401 28.993 29.460 -0.109 0.000 1.108 252 W HN -0.106 nan 8.180 nan 0.000 0.567 253 R N -0.163 120.337 120.500 0.001 0.000 2.066 253 R HA -0.176 4.164 4.340 0.000 0.000 0.232 253 R C 1.937 178.348 176.300 0.185 0.000 1.131 253 R CA 2.097 58.243 56.100 0.077 0.000 0.955 253 R CB -0.759 29.581 30.300 0.067 0.000 0.851 253 R HN 0.082 nan 8.270 nan 0.000 0.432 254 W N 0.597 121.825 121.300 -0.121 0.000 2.374 254 W HA -0.044 4.616 4.660 0.000 0.000 0.288 254 W C 2.156 178.541 176.519 -0.223 0.000 1.218 254 W CA 1.147 58.391 57.345 -0.169 0.000 1.245 254 W CB -1.206 28.125 29.460 -0.215 0.000 1.126 254 W HN 0.152 nan 8.180 nan 0.000 0.545 255 T N 0.716 115.190 114.554 -0.134 0.000 2.698 255 T HA -0.125 4.225 4.350 0.000 0.000 0.260 255 T C 1.697 176.402 174.700 0.009 0.000 1.044 255 T CA 2.047 64.036 62.100 -0.184 0.000 1.149 255 T CB -0.288 68.299 68.868 -0.469 0.000 0.864 255 T HN 0.241 nan 8.240 nan 0.000 0.419 256 M N -1.075 118.574 119.600 0.081 0.000 2.289 256 M HA 0.588 5.068 4.480 0.000 0.000 0.335 256 M C 1.210 177.646 176.300 0.226 0.000 0.961 256 M CA 0.287 55.673 55.300 0.144 0.000 1.018 256 M CB 1.132 33.822 32.600 0.151 0.000 1.678 256 M HN 0.288 nan 8.290 nan 0.000 0.589 257 G N 2.097 111.016 108.800 0.197 0.000 2.176 257 G HA2 -0.253 3.707 3.960 0.000 0.000 0.253 257 G HA3 -0.253 3.707 3.960 0.000 0.000 0.253 257 G C -0.248 174.876 174.900 0.373 0.000 0.979 257 G CA 0.454 45.707 45.100 0.254 0.000 0.641 257 G HN 0.865 nan 8.290 nan 0.000 0.530 258 F N -0.515 119.493 119.950 0.097 0.000 2.779 258 F HA 0.784 5.311 4.527 0.000 0.000 0.316 258 F C -0.810 175.049 175.800 0.097 0.000 1.164 258 F CA -1.128 56.924 58.000 0.087 0.000 0.924 258 F CB 0.762 39.802 39.000 0.067 0.000 1.348 258 F HN 0.455 nan 8.300 nan 0.000 0.467 259 N N 0.954 119.653 118.700 -0.003 0.000 3.179 259 N HA 0.712 5.452 4.740 0.000 0.000 0.250 259 N C -1.904 173.639 175.510 0.055 0.000 1.507 259 N CA -0.547 52.463 53.050 -0.067 0.000 0.883 259 N CB 1.742 40.259 38.487 0.049 0.000 1.435 259 N HN 1.146 nan 8.380 nan 0.000 0.532 260 A N -0.139 122.707 122.820 0.043 0.000 2.464 260 A HA 0.848 5.169 4.320 0.000 0.000 0.268 260 A C -0.143 177.513 177.584 0.119 0.000 1.244 260 A CA -0.197 51.925 52.037 0.141 0.000 0.871 260 A CB 0.668 19.742 19.000 0.123 0.000 1.400 260 A HN 0.870 nan 8.150 nan 0.000 0.455 261 T N -3.219 111.413 114.554 0.129 0.000 2.949 261 T HA 0.442 4.792 4.350 0.000 0.000 0.287 261 T C 1.006 175.772 174.700 0.110 0.000 1.034 261 T CA -0.074 62.088 62.100 0.104 0.000 1.018 261 T CB 0.913 69.838 68.868 0.094 0.000 1.135 261 T HN 0.493 nan 8.240 nan 0.000 0.532 262 M N 0.524 120.194 119.600 0.116 0.000 2.103 262 M HA -0.140 4.340 4.480 0.000 0.000 0.255 262 M C 2.134 178.563 176.300 0.215 0.000 1.074 262 M CA 1.974 57.371 55.300 0.162 0.000 1.090 262 M CB -0.813 31.869 32.600 0.137 0.000 1.325 262 M HN 0.914 nan 8.290 nan 0.000 0.403 263 E N -1.661 118.626 120.200 0.146 0.000 2.076 263 E HA -0.072 4.278 4.350 0.000 0.000 0.190 263 E C 1.949 178.632 176.600 0.138 0.000 0.979 263 E CA 1.002 57.484 56.400 0.137 0.000 0.807 263 E CB -0.418 29.320 29.700 0.064 0.000 0.761 263 E HN 0.626 nan 8.360 nan 0.000 0.454 264 G N 1.423 110.289 108.800 0.110 0.000 2.422 264 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 264 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 264 G C 1.520 176.510 174.900 0.150 0.000 1.140 264 G CA 0.552 45.714 45.100 0.102 0.000 0.775 264 G HN 0.283 nan 8.290 nan 0.000 0.545 265 I N 1.011 121.639 120.570 0.096 0.000 2.248 265 I HA -0.200 3.970 4.170 0.000 0.000 0.248 265 I C 2.367 178.329 176.117 -0.259 0.000 1.107 265 I CA 1.321 62.574 61.300 -0.079 0.000 1.373 265 I CB -0.452 37.364 38.000 -0.307 0.000 1.055 265 I HN 0.326 nan 8.210 nan 0.000 0.418 266 H N -0.436 118.575 119.070 -0.098 0.000 2.457 266 H HA 0.027 4.583 4.556 0.000 0.000 0.294 266 H C 2.275 177.575 175.328 -0.046 0.000 1.064 266 H CA 1.196 57.165 56.048 -0.131 0.000 1.330 266 H CB -0.067 29.617 29.762 -0.130 0.000 1.395 266 H HN 0.307 nan 8.280 nan 0.000 0.541 267 R N -0.499 120.058 120.500 0.095 0.000 2.075 267 R HA -0.112 4.228 4.340 0.000 0.000 0.226 267 R C 1.644 178.055 176.300 0.185 0.000 1.114 267 R CA 1.207 57.383 56.100 0.128 0.000 0.972 267 R CB -0.367 29.977 30.300 0.075 0.000 0.869 267 R HN 0.379 nan 8.270 nan 0.000 0.437 268 W N 1.379 122.722 121.300 0.072 0.000 2.338 268 W HA -0.196 4.464 4.660 0.000 0.000 0.304 268 W C 2.631 179.163 176.519 0.022 0.000 1.212 268 W CA 1.296 58.674 57.345 0.056 0.000 1.264 268 W CB -0.319 29.121 29.460 -0.034 0.000 1.142 268 W HN 0.191 nan 8.180 nan 0.000 0.512 269 A N 0.174 123.068 122.820 0.124 0.000 1.865 269 A HA -0.246 4.074 4.320 0.000 0.000 0.217 269 A C 1.936 179.519 177.584 -0.003 0.000 1.191 269 A CA 1.896 53.906 52.037 -0.044 0.000 0.623 269 A CB -1.091 17.755 19.000 -0.257 0.000 0.826 269 A HN 0.365 nan 8.150 nan 0.000 0.444 270 I N -2.367 118.199 120.570 -0.007 0.000 2.394 270 I HA -0.228 3.942 4.170 0.000 0.000 0.251 270 I C 2.216 178.247 176.117 -0.144 0.000 1.136 270 I CA 1.242 62.484 61.300 -0.097 0.000 1.425 270 I CB -0.078 37.837 38.000 -0.142 0.000 1.079 270 I HN 0.610 nan 8.210 nan 0.000 0.425 271 W N -0.170 121.129 121.300 -0.002 0.000 2.443 271 W HA -0.148 4.512 4.660 0.000 0.000 0.296 271 W C 2.418 178.897 176.519 -0.066 0.000 1.202 271 W CA 0.684 58.002 57.345 -0.045 0.000 1.312 271 W CB -0.347 29.070 29.460 -0.072 0.000 1.120 271 W HN 0.100 nan 8.180 nan 0.000 0.536 272 M N 1.153 120.910 119.600 0.263 0.000 2.082 272 M HA -0.193 4.288 4.480 0.000 0.000 0.258 272 M C 2.074 178.462 176.300 0.147 0.000 1.069 272 M CA 2.505 57.954 55.300 0.248 0.000 1.102 272 M CB -0.895 31.871 32.600 0.276 0.000 1.336 272 M HN -0.028 nan 8.290 nan 0.000 0.404 273 A N -0.776 122.099 122.820 0.090 0.000 1.855 273 A HA -0.091 4.229 4.320 0.000 0.000 0.215 273 A C 2.166 179.769 177.584 0.031 0.000 1.191 273 A CA 2.229 54.306 52.037 0.067 0.000 0.613 273 A CB -1.654 17.371 19.000 0.041 0.000 0.829 273 A HN 0.718 nan 8.150 nan 0.000 0.442 274 V N -1.908 117.985 119.914 -0.036 0.000 2.759 274 V HA -0.059 4.062 4.120 0.000 0.000 0.256 274 V C 2.008 178.079 176.094 -0.038 0.000 1.080 274 V CA 1.782 64.050 62.300 -0.054 0.000 1.101 274 V CB -0.710 31.006 31.823 -0.179 0.000 0.698 274 V HN 0.428 nan 8.190 nan 0.000 0.477 275 L N -0.461 120.697 121.223 -0.108 0.000 2.395 275 L HA -0.005 4.335 4.340 0.000 0.000 0.218 275 L C 2.560 179.374 176.870 -0.093 0.000 1.130 275 L CA 0.684 55.365 54.840 -0.264 0.000 0.826 275 L CB -0.261 41.241 42.059 -0.928 0.000 0.941 275 L HN 0.253 nan 8.230 nan 0.000 0.451 276 V N 0.251 120.197 119.914 0.054 0.000 2.219 276 V HA -0.363 3.757 4.120 0.000 0.000 0.248 276 V C 2.617 178.800 176.094 0.149 0.000 1.053 276 V CA 2.746 65.144 62.300 0.165 0.000 1.009 276 V CB -1.096 30.815 31.823 0.147 0.000 0.636 276 V HN 0.648 nan 8.190 nan 0.000 0.445 277 T N -2.172 112.465 114.554 0.139 0.000 3.023 277 T HA 0.103 4.453 4.350 0.000 0.000 0.266 277 T C 0.786 175.655 174.700 0.282 0.000 1.093 277 T CA 0.330 62.535 62.100 0.174 0.000 1.129 277 T CB -0.085 68.884 68.868 0.168 0.000 0.899 277 T HN 0.221 nan 8.240 nan 0.000 0.491 278 L N 2.311 123.676 121.223 0.236 0.000 2.399 278 L HA 0.373 4.713 4.340 0.000 0.000 0.266 278 L C 1.453 178.459 176.870 0.226 0.000 1.114 278 L CA 0.946 55.944 54.840 0.263 0.000 0.804 278 L CB 1.112 43.218 42.059 0.078 0.000 1.146 278 L HN 0.715 nan 8.230 nan 0.000 0.451 279 T N -0.259 114.450 114.554 0.259 0.000 13.396 279 T HA -0.244 4.107 4.350 0.000 0.000 0.416 279 T C 1.293 176.137 174.700 0.240 0.000 1.466 279 T CA 0.955 63.266 62.100 0.352 0.000 2.394 279 T CB -2.114 67.040 68.868 0.477 0.000 2.763 279 T HN 0.862 nan 8.240 nan 0.000 0.539 280 G N 1.767 110.689 108.800 0.203 0.000 2.514 280 G HA2 0.167 4.127 3.960 0.000 0.000 0.217 280 G HA3 0.167 4.127 3.960 0.000 0.000 0.217 280 G C 1.825 176.744 174.900 0.032 0.000 1.198 280 G CA 1.559 46.727 45.100 0.113 0.000 0.780 280 G HN 1.624 nan 8.290 nan 0.000 0.565 281 G N 0.526 109.337 108.800 0.018 0.000 2.448 281 G HA2 -0.113 3.847 3.960 0.000 0.000 0.219 281 G HA3 -0.113 3.847 3.960 0.000 0.000 0.219 281 G C 1.776 176.566 174.900 -0.184 0.000 1.127 281 G CA 0.778 45.671 45.100 -0.345 0.000 0.766 281 G HN 0.466 nan 8.290 nan 0.000 0.552 282 I N 1.003 121.636 120.570 0.105 0.000 2.233 282 I HA -0.026 4.144 4.170 0.000 0.000 0.243 282 I C 3.074 179.053 176.117 -0.230 0.000 1.093 282 I CA 1.012 62.257 61.300 -0.091 0.000 1.380 282 I CB -0.367 37.323 38.000 -0.516 0.000 1.067 282 I HN 0.221 nan 8.210 nan 0.000 0.413 283 G N 1.299 109.992 108.800 -0.178 0.000 2.418 283 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 283 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 283 G C 1.571 176.496 174.900 0.041 0.000 1.158 283 G CA 0.495 45.573 45.100 -0.036 0.000 0.771 283 G HN 0.162 nan 8.290 nan 0.000 0.545 284 I N 0.622 121.184 120.570 -0.012 0.000 2.252 284 I HA -0.056 4.115 4.170 0.000 0.000 0.245 284 I C 2.628 178.781 176.117 0.060 0.000 1.102 284 I CA 0.617 61.916 61.300 -0.002 0.000 1.385 284 I CB -1.195 36.709 38.000 -0.160 0.000 1.064 284 I HN 0.165 nan 8.210 nan 0.000 0.414 285 L N 0.603 121.803 121.223 -0.038 0.000 2.131 285 L HA -0.126 4.214 4.340 0.000 0.000 0.210 285 L C 2.218 179.124 176.870 0.060 0.000 1.092 285 L CA 1.672 56.498 54.840 -0.022 0.000 0.759 285 L CB -0.450 41.561 42.059 -0.080 0.000 0.903 285 L HN 0.123 nan 8.230 nan 0.000 0.435 286 L N -1.126 120.162 121.223 0.109 0.000 2.395 286 L HA 0.020 4.360 4.340 0.000 0.000 0.218 286 L C 0.838 177.805 176.870 0.162 0.000 1.130 286 L CA -0.061 54.872 54.840 0.154 0.000 0.826 286 L CB -0.304 41.916 42.059 0.268 0.000 0.941 286 L HN 0.070 nan 8.230 nan 0.000 0.451 287 S N 0.093 115.929 115.700 0.226 0.000 2.448 287 S HA 0.399 4.870 4.470 0.000 0.000 0.279 287 S C 1.045 175.621 174.600 -0.040 0.000 1.195 287 S CA 0.422 58.691 58.200 0.114 0.000 1.051 287 S CB 0.979 64.270 63.200 0.152 0.000 0.948 287 S HN 0.553 nan 8.310 nan 0.000 0.493 288 G N 3.160 111.961 108.800 0.001 0.000 2.299 288 G HA2 -0.356 3.605 3.960 0.000 0.000 0.237 288 G HA3 -0.356 3.605 3.960 0.000 0.000 0.237 288 G C 1.074 175.976 174.900 0.004 0.000 1.027 288 G CA 0.769 45.913 45.100 0.073 0.000 0.619 288 G HN 0.794 nan 8.290 nan 0.000 0.513 289 T N -2.068 112.486 114.554 0.000 0.000 2.939 289 T HA 0.387 4.737 4.350 0.000 0.000 0.254 289 T C 2.088 176.774 174.700 -0.023 0.000 1.041 289 T CA 2.110 64.205 62.100 -0.007 0.000 1.142 289 T CB 0.149 69.023 68.868 0.009 0.000 0.874 289 T HN 0.650 nan 8.240 nan 0.000 0.452 290 V N 0.144 120.034 119.914 -0.040 0.000 3.090 290 V HA 0.365 4.485 4.120 0.000 0.000 0.237 290 V C 0.368 176.385 176.094 -0.128 0.000 1.209 290 V CA -0.088 62.183 62.300 -0.049 0.000 1.209 290 V CB 1.057 32.873 31.823 -0.011 0.000 0.971 290 V HN 0.311 nan 8.190 nan 0.000 0.477 291 V N 1.205 120.958 119.914 -0.268 0.000 2.409 291 V HA 0.408 4.528 4.120 0.000 0.000 0.291 291 V C 0.401 176.260 176.094 -0.391 0.000 1.020 291 V CA -0.348 61.655 62.300 -0.496 0.000 0.848 291 V CB 1.596 32.645 31.823 -1.290 0.000 0.990 291 V HN 0.282 nan 8.190 nan 0.000 0.430 292 D N 2.479 122.727 120.400 -0.253 0.000 2.249 292 D HA 0.030 4.670 4.640 0.000 0.000 0.205 292 D C 0.554 176.762 176.300 -0.153 0.000 0.962 292 D CA 1.000 54.909 54.000 -0.152 0.000 0.860 292 D CB 0.434 41.162 40.800 -0.120 0.000 0.955 292 D HN 0.517 nan 8.370 nan 0.000 0.505 293 N N -0.540 118.032 118.700 -0.214 0.000 2.599 293 N HA -0.010 4.730 4.740 0.000 0.000 0.283 293 N C -0.091 175.384 175.510 -0.059 0.000 1.160 293 N CA -0.381 52.622 53.050 -0.078 0.000 0.869 293 N CB 0.263 38.742 38.487 -0.012 0.000 1.448 293 N HN -0.131 nan 8.380 nan 0.000 0.535 294 W N 1.791 123.213 121.300 0.202 0.000 2.363 294 W HA -0.153 4.507 4.660 0.000 0.000 0.296 294 W C 1.845 178.536 176.519 0.286 0.000 1.212 294 W CA 0.740 58.246 57.345 0.268 0.000 1.260 294 W CB -0.307 29.313 29.460 0.267 0.000 1.131 294 W HN 0.681 nan 8.180 nan 0.000 0.530 295 Y N 0.500 120.912 120.300 0.187 0.000 2.224 295 Y HA -0.263 4.287 4.550 0.000 0.000 0.289 295 Y C 2.167 177.973 175.900 -0.156 0.000 1.146 295 Y CA 1.926 59.828 58.100 -0.331 0.000 1.182 295 Y CB -0.770 37.429 38.460 -0.435 0.000 0.983 295 Y HN -0.212 nan 8.280 nan 0.000 0.524 296 V N -0.676 119.220 119.914 -0.029 0.000 2.270 296 V HA -0.286 3.834 4.120 0.000 0.000 0.245 296 V C 2.113 178.130 176.094 -0.128 0.000 1.043 296 V CA 1.964 64.189 62.300 -0.124 0.000 1.014 296 V CB -1.112 30.704 31.823 -0.011 0.000 0.645 296 V HN 0.717 nan 8.190 nan 0.000 0.447 297 W N 1.491 122.686 121.300 -0.174 0.000 2.304 297 W HA -0.218 4.442 4.660 0.000 0.000 0.315 297 W C 2.278 178.715 176.519 -0.136 0.000 1.233 297 W CA 2.213 59.480 57.345 -0.129 0.000 1.261 297 W CB -0.766 28.618 29.460 -0.127 0.000 1.150 297 W HN 0.261 nan 8.180 nan 0.000 0.494 298 G N -0.486 108.390 108.800 0.127 0.000 2.498 298 G HA2 -0.250 3.711 3.960 0.000 0.000 0.219 298 G HA3 -0.250 3.711 3.960 0.000 0.000 0.219 298 G C 1.395 175.927 174.900 -0.613 0.000 1.119 298 G CA 0.850 45.845 45.100 -0.174 0.000 0.766 298 G HN 0.313 nan 8.290 nan 0.000 0.552 299 Q N 0.158 119.609 119.800 -0.582 0.000 2.269 299 Q HA 0.059 4.399 4.340 0.000 0.000 0.201 299 Q C 1.938 177.634 176.000 -0.507 0.000 0.946 299 Q CA 0.538 56.013 55.803 -0.547 0.000 0.877 299 Q CB -0.019 28.412 28.738 -0.512 0.000 0.963 299 Q HN 0.499 nan 8.270 nan 0.000 0.472 300 N N -0.013 118.362 118.700 -0.542 0.000 2.415 300 N HA -0.036 4.704 4.740 0.000 0.000 0.174 300 N C -0.452 174.779 175.510 -0.465 0.000 1.048 300 N CA 0.123 52.921 53.050 -0.419 0.000 0.895 300 N CB 0.218 38.516 38.487 -0.316 0.000 1.036 300 N HN 0.351 nan 8.380 nan 0.000 0.449 301 H N -0.152 118.499 119.070 -0.697 0.000 2.496 301 H HA -0.147 4.410 4.556 0.000 0.000 0.323 301 H C 0.771 175.624 175.328 -0.792 0.000 1.054 301 H CA 0.854 56.251 56.048 -1.086 0.000 1.095 301 H CB -1.718 27.672 29.762 -0.619 0.000 1.595 301 H HN 0.518 nan 8.280 nan 0.000 0.388 302 G N -1.986 106.338 108.800 -0.794 0.000 4.681 302 G HA2 0.458 4.418 3.960 0.000 0.000 0.220 302 G HA3 0.458 4.418 3.960 0.000 0.000 0.220 302 G C 0.011 174.858 174.900 -0.089 0.000 0.713 302 G CA 0.238 45.194 45.100 -0.242 0.000 1.021 302 G HN 0.892 nan 8.290 nan 0.000 0.751 303 M N 0.000 119.545 119.600 -0.091 0.000 2.572 303 M HA 0.000 4.480 4.480 0.000 0.000 0.227 303 M CA 0.000 nan 55.300 nan 0.000 0.988 303 M CB 0.000 nan 32.600 nan 0.000 1.302 303 M HN 0.000 nan 8.290 nan 0.000 0.411