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 3iuk_1_B DATA FIRST_RESID 8 DATA SEQUENCE VRPKSAIDAV ADAYTEKLIE LNPSFATTLG LPGHETEYQD YSPAGAAAHA DATA SEQUENCE EATRLALEAL AGLEPSDDVD AVTLDAXRER LGLELEIHQS GWDAADLNNI DATA SEQUENCE ASPAQDIRAI FDLXPTDTVE HWEHIAGRAA NVPGAIEGYI ASLRAAKDDR DATA SEQUENCE KVAAARQIRI VIEQTGRYAA EDGFFAKXAA DASLGDAPLP AEVQDKLDAG DATA SEQUENCE TSAARSAYSA LGAFLRDELL PVAPEKDAVG RERYSLASRS FIGAEVDLEE DATA SEQUENCE TYAWGVQELE RLISEQEKVA GQIKPGASIE EAKSILNNDP ARQIKGTDAL DATA SEQUENCE KAWXQELSDR AVSELADVHF DIPDVXKTLE CXIAPTDXXG IYYTGPSDDF DATA SEQUENCE SRPGRXWWSV PAGEDTFTTW SETTTVFHEG VPGHHLQVAT ATYRRELLNN DATA SEQUENCE WRRNVCWVSG HGEGWALYAE QLXLELGYLK DPGDHXGXLD GQRXRAARVV DATA SEQUENCE FDIGVHLELP VPERWGTGTW TPEKGFDFLK ANLDISEGQL QFEFTRYLGW DATA SEQUENCE PGQAPSYKVG QRLWEQIRAE LESREGFDLK SFHSKALNIG SVGLDVLRRA DATA SEQUENCE LL 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 8 V HA 0.000 nan 4.120 nan 0.000 0.244 8 V C 0.000 176.089 176.094 -0.008 0.000 1.182 8 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 8 V CB 0.000 31.813 31.823 -0.017 0.000 1.184 9 R N 2.354 122.850 120.500 -0.006 0.000 2.422 9 R HA 0.621 4.956 4.340 -0.009 0.000 0.307 9 R C -2.936 173.364 176.300 0.001 0.000 1.004 9 R CA -1.387 54.712 56.100 -0.002 0.000 0.882 9 R CB 1.853 32.154 30.300 0.001 0.000 1.164 9 R HN 0.367 nan 8.270 nan 0.000 0.489 10 P HA 0.088 nan 4.420 nan 0.000 0.271 10 P C -0.896 176.406 177.300 0.004 0.000 1.218 10 P CA -0.325 62.776 63.100 0.002 0.000 0.780 10 P CB 0.576 32.276 31.700 0.000 0.000 0.901 11 K N 1.287 121.691 120.400 0.006 0.000 2.401 11 K HA 0.196 4.511 4.320 -0.009 0.000 0.278 11 K C 0.748 177.351 176.600 0.006 0.000 1.018 11 K CA 0.099 56.392 56.287 0.010 0.000 0.981 11 K CB 0.380 32.888 32.500 0.013 0.000 0.933 11 K HN 0.663 nan 8.250 nan 0.000 0.477 12 S N 0.493 116.196 115.700 0.005 0.000 2.738 12 S HA 0.448 4.912 4.470 -0.009 0.000 0.284 12 S C 1.261 175.858 174.600 -0.004 0.000 1.146 12 S CA -0.224 57.975 58.200 -0.000 0.000 0.997 12 S CB 1.355 64.554 63.200 -0.002 0.000 1.081 12 S HN 0.517 nan 8.310 nan 0.000 0.553 13 A N 0.361 123.175 122.820 -0.010 0.000 1.933 13 A HA 0.050 4.365 4.320 -0.009 0.000 0.218 13 A C 2.030 179.600 177.584 -0.022 0.000 1.175 13 A CA 1.282 53.310 52.037 -0.016 0.000 0.628 13 A CB -1.148 17.840 19.000 -0.020 0.000 0.814 13 A HN 0.792 nan 8.150 nan 0.000 0.444 14 I N -0.128 120.427 120.570 -0.026 0.000 2.315 14 I HA -0.207 3.957 4.170 -0.009 0.000 0.248 14 I C 1.722 177.822 176.117 -0.029 0.000 1.117 14 I CA 1.246 62.522 61.300 -0.039 0.000 1.404 14 I CB -0.356 37.619 38.000 -0.043 0.000 1.071 14 I HN 0.238 nan 8.210 nan 0.000 0.419 15 D N 1.138 121.536 120.400 -0.004 0.000 2.149 15 D HA -0.174 4.460 4.640 -0.009 0.000 0.198 15 D C 2.259 178.572 176.300 0.021 0.000 0.990 15 D CA 1.575 55.587 54.000 0.020 0.000 0.839 15 D CB -0.137 40.679 40.800 0.027 0.000 0.948 15 D HN 0.371 nan 8.370 nan 0.000 0.460 16 A N 0.650 123.474 122.820 0.007 0.000 1.933 16 A HA -0.120 4.194 4.320 -0.009 0.000 0.218 16 A C 2.554 180.142 177.584 0.007 0.000 1.175 16 A CA 1.076 53.118 52.037 0.009 0.000 0.628 16 A CB -0.655 18.346 19.000 0.001 0.000 0.814 16 A HN 0.144 nan 8.150 nan 0.000 0.444 17 V N -0.092 119.813 119.914 -0.016 0.000 2.295 17 V HA -0.257 3.858 4.120 -0.009 0.000 0.246 17 V C 3.053 179.136 176.094 -0.018 0.000 1.049 17 V CA 1.985 64.264 62.300 -0.036 0.000 1.024 17 V CB -1.301 30.471 31.823 -0.085 0.000 0.648 17 V HN 0.611 nan 8.190 nan 0.000 0.447 18 A N -0.096 122.709 122.820 -0.024 0.000 1.877 18 A HA -0.246 4.069 4.320 -0.009 0.000 0.216 18 A C 2.006 179.677 177.584 0.145 0.000 1.186 18 A CA 2.048 54.095 52.037 0.016 0.000 0.620 18 A CB -0.652 18.376 19.000 0.048 0.000 0.822 18 A HN 0.528 nan 8.150 nan 0.000 0.443 19 D N -0.015 120.450 120.400 0.109 0.000 2.117 19 D HA -0.026 4.608 4.640 -0.009 0.000 0.197 19 D C 2.228 178.583 176.300 0.091 0.000 0.987 19 D CA 1.509 55.573 54.000 0.107 0.000 0.829 19 D CB -0.403 40.438 40.800 0.069 0.000 0.961 19 D HN 0.415 nan 8.370 nan 0.000 0.460 20 A N 0.055 122.920 122.820 0.075 0.000 1.898 20 A HA -0.207 4.108 4.320 -0.009 0.000 0.216 20 A C 2.188 179.829 177.584 0.095 0.000 1.181 20 A CA 1.110 53.185 52.037 0.062 0.000 0.620 20 A CB -1.030 17.994 19.000 0.041 0.000 0.819 20 A HN 0.288 nan 8.150 nan 0.000 0.442 21 Y N 1.557 121.847 120.300 -0.016 0.000 2.165 21 Y HA -0.207 4.338 4.550 -0.010 0.000 0.286 21 Y C 2.650 178.592 175.900 0.071 0.000 1.155 21 Y CA 2.171 60.261 58.100 -0.017 0.000 1.164 21 Y CB -0.903 37.502 38.460 -0.090 0.000 0.978 21 Y HN 0.326 nan 8.280 nan 0.000 0.513 22 T N 0.534 115.140 114.554 0.087 0.000 2.684 22 T HA -0.188 4.156 4.350 -0.009 0.000 0.267 22 T C 1.669 176.381 174.700 0.020 0.000 1.036 22 T CA 1.663 63.817 62.100 0.089 0.000 1.148 22 T CB -0.210 68.788 68.868 0.217 0.000 0.863 22 T HN 0.333 nan 8.240 nan 0.000 0.436 23 E N 0.920 121.129 120.200 0.015 0.000 2.118 23 E HA -0.121 4.224 4.350 -0.009 0.000 0.195 23 E C 2.225 178.801 176.600 -0.040 0.000 0.992 23 E CA 1.082 57.477 56.400 -0.008 0.000 0.804 23 E CB -0.255 29.445 29.700 -0.000 0.000 0.741 23 E HN 0.294 nan 8.360 nan 0.000 0.458 24 K N 1.148 121.505 120.400 -0.071 0.000 2.057 24 K HA -0.046 4.268 4.320 -0.009 0.000 0.206 24 K C 2.196 178.712 176.600 -0.140 0.000 1.050 24 K CA 0.817 57.044 56.287 -0.100 0.000 0.935 24 K CB -0.507 31.937 32.500 -0.093 0.000 0.715 24 K HN 0.076 nan 8.250 nan 0.000 0.439 25 L N 0.137 121.226 121.223 -0.224 0.000 2.083 25 L HA -0.150 4.184 4.340 -0.009 0.000 0.209 25 L C 2.343 179.244 176.870 0.051 0.000 1.083 25 L CA 1.201 55.950 54.840 -0.151 0.000 0.752 25 L CB -0.358 41.584 42.059 -0.195 0.000 0.899 25 L HN 0.174 nan 8.230 nan 0.000 0.433 26 I N -0.256 120.364 120.570 0.083 0.000 2.179 26 I HA -0.308 3.857 4.170 -0.009 0.000 0.242 26 I C 2.635 178.723 176.117 -0.047 0.000 1.088 26 I CA 1.424 62.756 61.300 0.053 0.000 1.357 26 I CB -0.225 37.749 38.000 -0.042 0.000 1.051 26 I HN 0.317 nan 8.210 nan 0.000 0.409 27 E N 1.269 121.423 120.200 -0.077 0.000 2.077 27 E HA -0.219 4.125 4.350 -0.009 0.000 0.193 27 E C 2.300 178.823 176.600 -0.128 0.000 0.989 27 E CA 1.204 57.526 56.400 -0.131 0.000 0.800 27 E CB -0.018 29.624 29.700 -0.097 0.000 0.746 27 E HN 0.461 nan 8.360 nan 0.000 0.452 28 L N 0.207 121.383 121.223 -0.078 0.000 2.156 28 L HA -0.032 4.302 4.340 -0.009 0.000 0.208 28 L C 1.110 177.943 176.870 -0.062 0.000 1.095 28 L CA 0.374 55.177 54.840 -0.061 0.000 0.770 28 L CB -0.046 41.996 42.059 -0.029 0.000 0.914 28 L HN 0.095 nan 8.230 nan 0.000 0.439 29 N N -0.538 118.141 118.700 -0.035 0.000 2.746 29 N HA 0.189 4.924 4.740 -0.009 0.000 0.250 29 N C -2.104 173.405 175.510 -0.002 0.000 1.146 29 N CA -1.985 51.053 53.050 -0.021 0.000 0.828 29 N CB 1.321 39.811 38.487 0.006 0.000 1.158 29 N HN -0.222 nan 8.380 nan 0.000 0.519 30 P HA -0.065 nan 4.420 nan 0.000 0.218 30 P C 1.025 178.276 177.300 -0.082 0.000 1.148 30 P CA 1.059 64.100 63.100 -0.098 0.000 0.822 30 P CB 0.435 32.067 31.700 -0.112 0.000 0.784 31 S N -1.312 114.349 115.700 -0.064 0.000 2.399 31 S HA -0.158 4.307 4.470 -0.009 0.000 0.231 31 S C 1.567 176.176 174.600 0.015 0.000 1.022 31 S CA 0.873 59.032 58.200 -0.069 0.000 0.983 31 S CB -1.066 62.133 63.200 -0.002 0.000 0.803 31 S HN 0.120 nan 8.310 nan 0.000 0.480 32 F N 2.837 122.725 119.950 -0.102 0.000 2.113 32 F HA -0.000 4.521 4.527 -0.009 0.000 0.297 32 F C 2.355 178.097 175.800 -0.097 0.000 1.103 32 F CA 0.650 58.593 58.000 -0.094 0.000 1.248 32 F CB -1.112 37.838 39.000 -0.084 0.000 0.999 32 F HN 0.168 nan 8.300 nan 0.000 0.475 33 A N -0.441 122.247 122.820 -0.220 0.000 1.927 33 A HA -0.286 4.028 4.320 -0.009 0.000 0.220 33 A C 2.267 179.705 177.584 -0.243 0.000 1.185 33 A CA 2.661 54.534 52.037 -0.274 0.000 0.639 33 A CB -1.551 17.367 19.000 -0.136 0.000 0.820 33 A HN 0.462 nan 8.150 nan 0.000 0.451 34 T N -0.439 114.001 114.554 -0.189 0.000 2.737 34 T HA -0.128 4.216 4.350 -0.009 0.000 0.265 34 T C 2.250 176.838 174.700 -0.186 0.000 1.038 34 T CA 2.353 64.341 62.100 -0.186 0.000 1.144 34 T CB -0.620 68.129 68.868 -0.198 0.000 0.866 34 T HN 0.868 nan 8.240 nan 0.000 0.434 35 T N 1.127 115.581 114.554 -0.167 0.000 2.849 35 T HA -0.003 4.341 4.350 -0.009 0.000 0.270 35 T C 1.807 176.392 174.700 -0.191 0.000 1.066 35 T CA 0.896 62.910 62.100 -0.142 0.000 1.130 35 T CB -0.629 68.209 68.868 -0.050 0.000 0.864 35 T HN 0.329 nan 8.240 nan 0.000 0.481 36 L N 0.561 121.609 121.223 -0.292 0.000 2.610 36 L HA 0.287 4.621 4.340 -0.009 0.000 0.232 36 L C 2.147 178.895 176.870 -0.203 0.000 1.149 36 L CA 0.525 55.190 54.840 -0.292 0.000 0.872 36 L CB -0.729 41.065 42.059 -0.442 0.000 0.992 36 L HN 0.656 nan 8.230 nan 0.000 0.447 37 G N 0.323 109.016 108.800 -0.179 0.000 2.148 37 G HA2 -0.273 3.682 3.960 -0.009 0.000 0.254 37 G HA3 -0.273 3.682 3.960 -0.009 0.000 0.254 37 G C -0.083 174.740 174.900 -0.128 0.000 0.981 37 G CA -0.254 44.762 45.100 -0.141 0.000 0.670 37 G HN 0.132 nan 8.290 nan 0.000 0.528 38 L N 2.549 123.684 121.223 -0.147 0.000 2.319 38 L HA 0.478 4.813 4.340 -0.009 0.000 0.280 38 L C -0.899 175.909 176.870 -0.103 0.000 1.099 38 L CA -1.862 52.907 54.840 -0.119 0.000 0.828 38 L CB 0.574 42.554 42.059 -0.132 0.000 1.150 38 L HN 0.035 nan 8.230 nan 0.000 0.442 39 P HA 0.397 nan 4.420 nan 0.000 0.274 39 P C 0.571 177.802 177.300 -0.117 0.000 1.256 39 P CA 0.038 63.081 63.100 -0.095 0.000 0.795 39 P CB 1.277 32.939 31.700 -0.063 0.000 1.038 40 G N 0.189 108.874 108.800 -0.193 0.000 2.391 40 G HA2 -0.161 3.794 3.960 -0.009 0.000 0.204 40 G HA3 -0.161 3.794 3.960 -0.009 0.000 0.204 40 G C 0.201 174.753 174.900 -0.580 0.000 1.012 40 G CA -0.197 44.695 45.100 -0.347 0.000 0.651 40 G HN 0.642 nan 8.290 nan 0.000 0.494 41 H N 0.641 119.608 119.070 -0.173 0.000 2.676 41 H HA 0.461 5.011 4.556 -0.009 0.000 0.238 41 H C 1.145 176.325 175.328 -0.246 0.000 1.276 41 H CA -0.040 55.903 56.048 -0.174 0.000 0.983 41 H CB 0.802 30.488 29.762 -0.128 0.000 2.000 41 H HN 0.334 nan 8.280 nan 0.000 0.584 42 E N -0.149 119.866 120.200 -0.309 0.000 2.333 42 E HA -0.118 4.226 4.350 -0.009 0.000 0.198 42 E C 1.860 178.258 176.600 -0.337 0.000 1.007 42 E CA 1.624 57.785 56.400 -0.398 0.000 0.845 42 E CB 0.213 29.467 29.700 -0.743 0.000 0.766 42 E HN 0.534 nan 8.360 nan 0.000 0.507 43 T N -2.780 111.620 114.554 -0.256 0.000 3.069 43 T HA 0.180 4.524 4.350 -0.009 0.000 0.252 43 T C 0.449 175.042 174.700 -0.177 0.000 1.053 43 T CA -0.315 61.683 62.100 -0.169 0.000 0.964 43 T CB 0.166 69.011 68.868 -0.039 0.000 1.005 43 T HN -0.098 nan 8.240 nan 0.000 0.532 44 E N 0.149 120.239 120.200 -0.184 0.000 2.227 44 E HA 0.575 4.919 4.350 -0.009 0.000 0.268 44 E C -1.471 174.986 176.600 -0.238 0.000 0.990 44 E CA -0.929 55.405 56.400 -0.109 0.000 0.856 44 E CB 1.217 30.918 29.700 0.002 0.000 1.159 44 E HN 0.312 nan 8.360 nan 0.000 0.401 45 Y N 0.474 120.780 120.300 0.010 0.000 2.549 45 Y HA 0.126 4.671 4.550 -0.009 0.000 0.339 45 Y C 0.371 176.243 175.900 -0.047 0.000 1.053 45 Y CA -0.932 57.182 58.100 0.023 0.000 1.105 45 Y CB 1.507 40.045 38.460 0.131 0.000 1.258 45 Y HN 0.453 nan 8.280 nan 0.000 0.478 46 Q N 0.475 120.296 119.800 0.035 0.000 2.524 46 Q HA 0.045 4.380 4.340 -0.009 0.000 0.246 46 Q C -0.762 175.132 176.000 -0.176 0.000 1.063 46 Q CA -0.518 55.185 55.803 -0.166 0.000 0.945 46 Q CB 0.501 29.023 28.738 -0.362 0.000 1.292 46 Q HN 0.528 nan 8.270 nan 0.000 0.518 47 D N 0.753 121.067 120.400 -0.143 0.000 2.374 47 D HA 0.039 4.674 4.640 -0.009 0.000 0.240 47 D C -0.568 175.671 176.300 -0.102 0.000 1.229 47 D CA -0.039 53.927 54.000 -0.057 0.000 0.895 47 D CB -0.040 40.746 40.800 -0.024 0.000 1.046 47 D HN 0.551 nan 8.370 nan 0.000 0.498 48 Y N 1.457 121.772 120.300 0.026 0.000 2.583 48 Y HA -0.031 4.513 4.550 -0.009 0.000 0.293 48 Y C 1.740 177.676 175.900 0.060 0.000 1.157 48 Y CA 0.032 58.158 58.100 0.043 0.000 1.315 48 Y CB -0.052 38.438 38.460 0.050 0.000 1.021 48 Y HN 0.276 nan 8.280 nan 0.000 0.536 49 S N -0.186 115.600 115.700 0.143 0.000 2.608 49 S HA 0.102 4.566 4.470 -0.009 0.000 0.261 49 S C -1.671 172.974 174.600 0.075 0.000 1.314 49 S CA -1.135 57.118 58.200 0.087 0.000 0.992 49 S CB 1.044 64.273 63.200 0.048 0.000 0.935 49 S HN -0.096 nan 8.310 nan 0.000 0.564 50 P HA -0.028 nan 4.420 nan 0.000 0.218 50 P C 1.484 178.826 177.300 0.070 0.000 1.148 50 P CA 1.832 64.975 63.100 0.073 0.000 0.822 50 P CB -0.268 31.460 31.700 0.047 0.000 0.784 51 A N -0.207 122.640 122.820 0.045 0.000 1.898 51 A HA -0.058 4.257 4.320 -0.009 0.000 0.216 51 A C 2.490 180.091 177.584 0.028 0.000 1.181 51 A CA 1.964 54.022 52.037 0.035 0.000 0.620 51 A CB -1.851 17.162 19.000 0.022 0.000 0.819 51 A HN 0.265 nan 8.150 nan 0.000 0.442 52 G N -0.324 108.490 108.800 0.023 0.000 2.446 52 G HA2 -0.050 3.904 3.960 -0.009 0.000 0.217 52 G HA3 -0.050 3.904 3.960 -0.009 0.000 0.217 52 G C 1.763 176.665 174.900 0.004 0.000 1.168 52 G CA 1.602 46.703 45.100 0.002 0.000 0.771 52 G HN 0.816 nan 8.290 nan 0.000 0.551 53 A N 1.057 123.889 122.820 0.020 0.000 1.902 53 A HA 0.261 4.575 4.320 -0.009 0.000 0.217 53 A C 2.796 180.319 177.584 -0.102 0.000 1.181 53 A CA 2.327 54.357 52.037 -0.011 0.000 0.623 53 A CB -0.724 18.348 19.000 0.120 0.000 0.818 53 A HN 0.820 nan 8.150 nan 0.000 0.443 54 A N -0.368 122.451 122.820 -0.001 0.000 1.929 54 A HA 0.265 4.579 4.320 -0.009 0.000 0.216 54 A C 2.455 180.022 177.584 -0.028 0.000 1.176 54 A CA 1.742 53.773 52.037 -0.009 0.000 0.628 54 A CB -0.855 18.193 19.000 0.080 0.000 0.816 54 A HN 0.980 nan 8.150 nan 0.000 0.444 55 A N -0.755 122.064 122.820 -0.003 0.000 1.902 55 A HA -0.174 4.140 4.320 -0.009 0.000 0.217 55 A C 1.994 179.577 177.584 -0.002 0.000 1.181 55 A CA 1.995 54.031 52.037 -0.002 0.000 0.623 55 A CB -0.893 18.108 19.000 0.002 0.000 0.818 55 A HN 0.790 nan 8.150 nan 0.000 0.443 56 H N -0.308 118.708 119.070 -0.089 0.000 2.353 56 H HA 0.042 4.593 4.556 -0.009 0.000 0.300 56 H C 2.143 177.423 175.328 -0.079 0.000 1.090 56 H CA 1.854 57.855 56.048 -0.078 0.000 1.327 56 H CB -0.141 29.563 29.762 -0.097 0.000 1.383 56 H HN 0.400 nan 8.280 nan 0.000 0.508 57 A N 0.271 123.066 122.820 -0.042 0.000 1.933 57 A HA -0.187 4.127 4.320 -0.009 0.000 0.218 57 A C 2.282 179.822 177.584 -0.073 0.000 1.175 57 A CA 1.838 53.806 52.037 -0.115 0.000 0.628 57 A CB -0.494 18.257 19.000 -0.415 0.000 0.814 57 A HN 0.605 nan 8.150 nan 0.000 0.444 58 E N 0.321 120.486 120.200 -0.058 0.000 2.072 58 E HA 0.007 4.351 4.350 -0.009 0.000 0.190 58 E C 1.978 178.551 176.600 -0.045 0.000 0.982 58 E CA 1.501 57.880 56.400 -0.036 0.000 0.803 58 E CB -0.501 29.188 29.700 -0.019 0.000 0.755 58 E HN 0.423 nan 8.360 nan 0.000 0.453 59 A N -0.225 122.564 122.820 -0.053 0.000 1.940 59 A HA -0.198 4.116 4.320 -0.009 0.000 0.219 59 A C 2.433 180.021 177.584 0.007 0.000 1.176 59 A CA 2.204 54.235 52.037 -0.009 0.000 0.631 59 A CB -1.108 17.877 19.000 -0.024 0.000 0.814 59 A HN 0.391 nan 8.150 nan 0.000 0.446 60 T N -0.831 113.682 114.554 -0.068 0.000 2.770 60 T HA -0.114 4.230 4.350 -0.009 0.000 0.263 60 T C 2.060 176.640 174.700 -0.200 0.000 1.039 60 T CA 1.313 63.314 62.100 -0.166 0.000 1.142 60 T CB -0.250 68.554 68.868 -0.108 0.000 0.868 60 T HN 0.637 nan 8.240 nan 0.000 0.435 61 R N 0.968 121.401 120.500 -0.111 0.000 2.096 61 R HA -0.075 4.260 4.340 -0.009 0.000 0.240 61 R C 2.314 178.550 176.300 -0.107 0.000 1.139 61 R CA 1.449 57.495 56.100 -0.090 0.000 0.952 61 R CB -0.594 29.679 30.300 -0.045 0.000 0.854 61 R HN 0.358 nan 8.270 nan 0.000 0.436 62 L N 0.428 121.595 121.223 -0.092 0.000 2.083 62 L HA -0.116 4.218 4.340 -0.009 0.000 0.209 62 L C 2.818 179.613 176.870 -0.125 0.000 1.083 62 L CA 1.244 56.033 54.840 -0.083 0.000 0.752 62 L CB -0.544 41.485 42.059 -0.049 0.000 0.899 62 L HN 0.385 nan 8.230 nan 0.000 0.433 63 A N 0.107 122.807 122.820 -0.200 0.000 1.898 63 A HA -0.143 4.172 4.320 -0.009 0.000 0.216 63 A C 2.246 179.650 177.584 -0.300 0.000 1.181 63 A CA 1.262 53.117 52.037 -0.304 0.000 0.620 63 A CB -0.615 17.975 19.000 -0.684 0.000 0.819 63 A HN 0.337 nan 8.150 nan 0.000 0.442 64 L N -0.666 120.384 121.223 -0.288 0.000 2.046 64 L HA -0.212 4.123 4.340 -0.009 0.000 0.208 64 L C 2.576 179.352 176.870 -0.156 0.000 1.077 64 L CA 1.683 56.388 54.840 -0.225 0.000 0.747 64 L CB -0.591 41.356 42.059 -0.187 0.000 0.896 64 L HN 0.480 nan 8.230 nan 0.000 0.432 65 E N 0.081 120.205 120.200 -0.126 0.000 2.150 65 E HA -0.190 4.154 4.350 -0.009 0.000 0.193 65 E C 2.247 178.794 176.600 -0.089 0.000 0.985 65 E CA 1.006 57.351 56.400 -0.091 0.000 0.814 65 E CB -0.157 29.501 29.700 -0.070 0.000 0.752 65 E HN 0.494 nan 8.360 nan 0.000 0.466 66 A N 0.900 123.659 122.820 -0.103 0.000 2.067 66 A HA -0.106 4.208 4.320 -0.009 0.000 0.219 66 A C 2.052 179.578 177.584 -0.097 0.000 1.158 66 A CA 0.868 52.851 52.037 -0.091 0.000 0.661 66 A CB -0.336 18.610 19.000 -0.089 0.000 0.801 66 A HN 0.144 nan 8.150 nan 0.000 0.452 67 L N -0.801 120.348 121.223 -0.124 0.000 2.446 67 L HA 0.137 4.471 4.340 -0.009 0.000 0.219 67 L C 1.515 178.329 176.870 -0.093 0.000 1.116 67 L CA 0.028 54.796 54.840 -0.121 0.000 0.844 67 L CB -0.482 41.480 42.059 -0.162 0.000 0.970 67 L HN 0.362 nan 8.230 nan 0.000 0.457 68 A N 0.392 123.161 122.820 -0.085 0.000 2.546 68 A HA 0.338 4.652 4.320 -0.009 0.000 0.243 68 A C 1.524 179.075 177.584 -0.054 0.000 1.063 68 A CA 0.654 52.651 52.037 -0.067 0.000 0.757 68 A CB -0.312 18.652 19.000 -0.060 0.000 0.991 68 A HN 0.574 nan 8.150 nan 0.000 0.503 69 G N 1.261 110.033 108.800 -0.048 0.000 2.205 69 G HA2 -0.249 3.705 3.960 -0.009 0.000 0.269 69 G HA3 -0.249 3.705 3.960 -0.009 0.000 0.269 69 G C 0.246 175.122 174.900 -0.038 0.000 0.977 69 G CA 0.647 45.724 45.100 -0.039 0.000 0.652 69 G HN 0.829 nan 8.290 nan 0.000 0.539 70 L N 0.918 122.113 121.223 -0.046 0.000 2.410 70 L HA 0.297 4.631 4.340 -0.009 0.000 0.273 70 L C 0.426 177.273 176.870 -0.038 0.000 1.152 70 L CA -0.350 54.465 54.840 -0.042 0.000 0.855 70 L CB 0.584 42.613 42.059 -0.050 0.000 1.129 70 L HN 0.098 nan 8.230 nan 0.000 0.463 71 E N 4.843 125.025 120.200 -0.030 0.000 2.283 71 E HA 0.288 4.633 4.350 -0.009 0.000 0.278 71 E C -2.101 174.485 176.600 -0.024 0.000 1.027 71 E CA -1.833 54.552 56.400 -0.025 0.000 0.843 71 E CB 0.877 30.565 29.700 -0.020 0.000 1.062 71 E HN 0.335 nan 8.360 nan 0.000 0.401 72 P HA 0.004 nan 4.420 nan 0.000 0.271 72 P C 0.614 177.907 177.300 -0.012 0.000 1.216 72 P CA 0.024 63.113 63.100 -0.018 0.000 0.771 72 P CB 0.851 32.542 31.700 -0.016 0.000 0.864 73 S N 1.250 116.944 115.700 -0.010 0.000 2.461 73 S HA -0.033 4.431 4.470 -0.009 0.000 0.228 73 S C 0.492 175.090 174.600 -0.003 0.000 1.005 73 S CA 0.626 58.822 58.200 -0.007 0.000 0.942 73 S CB -0.547 62.649 63.200 -0.006 0.000 0.776 73 S HN 0.662 nan 8.310 nan 0.000 0.514 74 D N -1.072 119.326 120.400 -0.002 0.000 2.865 74 D HA 0.242 4.877 4.640 -0.009 0.000 0.343 74 D C -0.691 175.611 176.300 0.003 0.000 1.372 74 D CA -0.543 53.457 54.000 0.001 0.000 0.862 74 D CB -0.323 40.479 40.800 0.004 0.000 1.425 74 D HN -0.173 nan 8.370 nan 0.000 0.501 75 D N -0.683 119.720 120.400 0.006 0.000 2.224 75 D HA -0.010 4.625 4.640 -0.009 0.000 0.205 75 D C 1.992 178.299 176.300 0.010 0.000 0.965 75 D CA 0.729 54.734 54.000 0.008 0.000 0.852 75 D CB 0.110 40.917 40.800 0.011 0.000 0.947 75 D HN 0.229 nan 8.370 nan 0.000 0.494 76 V N 1.178 121.099 119.914 0.013 0.000 2.307 76 V HA -0.204 3.910 4.120 -0.009 0.000 0.245 76 V C 1.898 178.003 176.094 0.019 0.000 1.045 76 V CA 1.590 63.902 62.300 0.020 0.000 1.024 76 V CB -0.362 31.474 31.823 0.022 0.000 0.651 76 V HN 0.055 nan 8.190 nan 0.000 0.449 77 D N 0.484 120.890 120.400 0.009 0.000 2.123 77 D HA -0.157 4.477 4.640 -0.009 0.000 0.196 77 D C 2.235 178.531 176.300 -0.008 0.000 0.992 77 D CA 1.724 55.724 54.000 -0.001 0.000 0.833 77 D CB -0.409 40.387 40.800 -0.008 0.000 0.954 77 D HN 0.416 nan 8.370 nan 0.000 0.455 78 A N 0.444 123.260 122.820 -0.006 0.000 1.908 78 A HA -0.184 4.131 4.320 -0.009 0.000 0.218 78 A C 2.548 180.128 177.584 -0.007 0.000 1.181 78 A CA 1.600 53.631 52.037 -0.010 0.000 0.627 78 A CB -0.823 18.173 19.000 -0.006 0.000 0.818 78 A HN 0.171 nan 8.150 nan 0.000 0.445 79 V N -0.406 119.511 119.914 0.006 0.000 2.343 79 V HA -0.225 3.889 4.120 -0.009 0.000 0.247 79 V C 2.734 178.847 176.094 0.033 0.000 1.051 79 V CA 2.446 64.756 62.300 0.017 0.000 1.036 79 V CB -1.292 30.545 31.823 0.023 0.000 0.654 79 V HN 0.617 nan 8.190 nan 0.000 0.451 80 T N 0.500 115.075 114.554 0.034 0.000 2.708 80 T HA -0.155 4.189 4.350 -0.009 0.000 0.266 80 T C 1.905 176.565 174.700 -0.066 0.000 1.037 80 T CA 1.609 63.727 62.100 0.030 0.000 1.146 80 T CB -0.329 68.553 68.868 0.023 0.000 0.865 80 T HN 0.293 nan 8.240 nan 0.000 0.435 81 L N 0.759 121.940 121.223 -0.069 0.000 2.042 81 L HA -0.147 4.188 4.340 -0.009 0.000 0.210 81 L C 2.612 179.425 176.870 -0.094 0.000 1.076 81 L CA 1.381 56.160 54.840 -0.102 0.000 0.749 81 L CB -0.477 41.537 42.059 -0.074 0.000 0.893 81 L HN 0.209 nan 8.230 nan 0.000 0.432 82 D N -0.028 120.342 120.400 -0.049 0.000 2.103 82 D HA -0.023 4.611 4.640 -0.009 0.000 0.199 82 D C 1.266 177.556 176.300 -0.017 0.000 0.978 82 D CA 0.931 54.910 54.000 -0.034 0.000 0.829 82 D CB 0.040 40.828 40.800 -0.019 0.000 0.981 82 D HN 0.243 nan 8.370 nan 0.000 0.464 86 E N 1.566 121.748 120.200 -0.031 0.000 2.046 86 E HA -0.046 4.298 4.350 -0.009 0.000 0.190 86 E C 1.485 178.098 176.600 0.021 0.000 0.982 86 E CA 1.106 57.503 56.400 -0.005 0.000 0.800 86 E CB 0.319 30.020 29.700 0.002 0.000 0.756 86 E HN 0.078 nan 8.360 nan 0.000 0.449 87 R N 0.199 120.747 120.500 0.080 0.000 2.062 87 R HA -0.075 4.259 4.340 -0.009 0.000 0.231 87 R C 2.555 178.914 176.300 0.099 0.000 1.136 87 R CA 0.677 56.857 56.100 0.133 0.000 0.948 87 R CB -0.917 29.582 30.300 0.331 0.000 0.845 87 R HN 0.188 nan 8.270 nan 0.000 0.430 88 L N -0.070 121.183 121.223 0.050 0.000 2.056 88 L HA -0.022 4.312 4.340 -0.009 0.000 0.207 88 L C 2.476 179.340 176.870 -0.010 0.000 1.078 88 L CA 2.003 56.840 54.840 -0.004 0.000 0.749 88 L CB -1.283 40.666 42.059 -0.183 0.000 0.901 88 L HN 0.299 nan 8.230 nan 0.000 0.433 89 G N -0.609 108.173 108.800 -0.029 0.000 2.418 89 G HA2 -0.273 3.681 3.960 -0.009 0.000 0.217 89 G HA3 -0.273 3.681 3.960 -0.009 0.000 0.217 89 G C 1.653 176.558 174.900 0.009 0.000 1.158 89 G CA 0.940 46.029 45.100 -0.018 0.000 0.771 89 G HN 0.333 nan 8.290 nan 0.000 0.545 90 L N 0.463 121.694 121.223 0.012 0.000 2.093 90 L HA 0.099 4.434 4.340 -0.009 0.000 0.208 90 L C 2.512 179.404 176.870 0.036 0.000 1.085 90 L CA 1.925 56.773 54.840 0.013 0.000 0.755 90 L CB -0.519 41.534 42.059 -0.009 0.000 0.904 90 L HN 0.322 nan 8.230 nan 0.000 0.435 91 E N -0.523 119.713 120.200 0.060 0.000 2.110 91 E HA -0.218 4.126 4.350 -0.009 0.000 0.193 91 E C 2.227 178.901 176.600 0.122 0.000 0.988 91 E CA 1.534 57.991 56.400 0.096 0.000 0.804 91 E CB -0.195 29.597 29.700 0.154 0.000 0.745 91 E HN 0.541 nan 8.360 nan 0.000 0.458 92 L N 0.600 121.884 121.223 0.101 0.000 2.131 92 L HA -0.134 4.200 4.340 -0.009 0.000 0.206 92 L C 2.274 179.219 176.870 0.126 0.000 1.087 92 L CA 0.903 55.818 54.840 0.124 0.000 0.767 92 L CB -0.275 41.827 42.059 0.071 0.000 0.917 92 L HN 0.103 nan 8.230 nan 0.000 0.441 93 E N 0.465 120.713 120.200 0.079 0.000 2.085 93 E HA -0.247 4.098 4.350 -0.009 0.000 0.194 93 E C 2.239 178.889 176.600 0.083 0.000 0.994 93 E CA 1.369 57.808 56.400 0.066 0.000 0.801 93 E CB -0.121 29.603 29.700 0.040 0.000 0.743 93 E HN 0.483 nan 8.360 nan 0.000 0.453 94 I N 0.340 120.966 120.570 0.094 0.000 2.252 94 I HA -0.261 3.903 4.170 -0.009 0.000 0.245 94 I C 2.546 178.753 176.117 0.150 0.000 1.102 94 I CA 1.196 62.563 61.300 0.112 0.000 1.385 94 I CB -0.275 37.779 38.000 0.089 0.000 1.064 94 I HN 0.145 nan 8.210 nan 0.000 0.414 95 H N 1.260 120.370 119.070 0.068 0.000 2.319 95 H HA -0.217 4.333 4.556 -0.009 0.000 0.299 95 H C 2.216 177.577 175.328 0.056 0.000 1.092 95 H CA 1.982 58.068 56.048 0.064 0.000 1.302 95 H CB -0.076 29.727 29.762 0.068 0.000 1.373 95 H HN 0.311 nan 8.280 nan 0.000 0.497 96 Q N -0.420 119.368 119.800 -0.018 0.000 2.226 96 Q HA -0.123 4.211 4.340 -0.009 0.000 0.204 96 Q C 2.496 178.466 176.000 -0.050 0.000 0.975 96 Q CA 1.452 57.210 55.803 -0.075 0.000 0.866 96 Q CB 0.006 28.754 28.738 0.016 0.000 0.915 96 Q HN 0.618 nan 8.270 nan 0.000 0.440 97 S N -1.098 114.617 115.700 0.025 0.000 2.423 97 S HA -0.031 4.433 4.470 -0.009 0.000 0.231 97 S C 1.703 176.331 174.600 0.046 0.000 1.014 97 S CA 0.968 59.232 58.200 0.106 0.000 0.965 97 S CB -0.097 63.238 63.200 0.225 0.000 0.785 97 S HN 0.561 nan 8.310 nan 0.000 0.495 98 G N -0.181 108.579 108.800 -0.066 0.000 2.241 98 G HA2 -0.287 3.667 3.960 -0.009 0.000 0.244 98 G HA3 -0.287 3.667 3.960 -0.009 0.000 0.244 98 G C 0.545 175.321 174.900 -0.208 0.000 0.998 98 G CA 0.229 45.214 45.100 -0.193 0.000 0.621 98 G HN 0.571 nan 8.290 nan 0.000 0.519 99 W N 2.439 123.749 121.300 0.017 0.000 2.584 99 W HA 0.146 4.801 4.660 -0.009 0.000 0.264 99 W C 2.431 178.992 176.519 0.071 0.000 1.264 99 W CA 0.971 58.343 57.345 0.045 0.000 1.306 99 W CB 0.071 29.557 29.460 0.044 0.000 1.110 99 W HN 0.495 nan 8.180 nan 0.000 0.606 100 D N 0.301 120.844 120.400 0.238 0.000 2.133 100 D HA -0.259 4.375 4.640 -0.009 0.000 0.195 100 D C 2.026 178.436 176.300 0.183 0.000 0.997 100 D CA 1.956 56.076 54.000 0.200 0.000 0.840 100 D CB -1.214 39.698 40.800 0.187 0.000 0.947 100 D HN 0.162 nan 8.370 nan 0.000 0.452 101 A N 0.788 123.678 122.820 0.116 0.000 2.067 101 A HA 0.224 4.538 4.320 -0.009 0.000 0.219 101 A C 2.322 179.963 177.584 0.095 0.000 1.158 101 A CA 1.677 53.770 52.037 0.094 0.000 0.661 101 A CB -0.505 18.503 19.000 0.012 0.000 0.801 101 A HN 0.415 nan 8.150 nan 0.000 0.452 102 A N -0.515 122.366 122.820 0.103 0.000 2.275 102 A HA 0.207 4.521 4.320 -0.009 0.000 0.212 102 A C 0.628 178.369 177.584 0.262 0.000 1.201 102 A CA 0.319 52.441 52.037 0.142 0.000 0.843 102 A CB -0.393 18.677 19.000 0.117 0.000 0.873 102 A HN 0.391 nan 8.150 nan 0.000 0.492 103 D N 0.523 121.101 120.400 0.297 0.000 2.502 103 D HA 0.218 4.852 4.640 -0.009 0.000 0.249 103 D C -0.530 175.969 176.300 0.331 0.000 1.188 103 D CA 1.080 55.264 54.000 0.305 0.000 0.890 103 D CB -0.041 40.923 40.800 0.274 0.000 1.140 103 D HN 0.274 nan 8.370 nan 0.000 0.505 104 L N 3.859 125.243 121.223 0.268 0.000 2.795 104 L HA 0.344 4.678 4.340 -0.009 0.000 0.260 104 L C -1.704 175.257 176.870 0.152 0.000 0.935 104 L CA -0.529 54.454 54.840 0.237 0.000 0.985 104 L CB 1.022 43.231 42.059 0.250 0.000 1.433 104 L HN 0.666 nan 8.230 nan 0.000 0.447 105 N N 1.354 120.105 118.700 0.085 0.000 3.106 105 N HA 0.330 5.064 4.740 -0.009 0.000 0.253 105 N C -0.494 174.987 175.510 -0.048 0.000 1.506 105 N CA -0.522 52.539 53.050 0.019 0.000 0.876 105 N CB 0.315 38.813 38.487 0.018 0.000 1.452 105 N HN 0.404 nan 8.380 nan 0.000 0.542 106 N N -0.445 118.188 118.700 -0.112 0.000 2.461 106 N HA 0.083 4.818 4.740 -0.009 0.000 0.188 106 N C 0.341 175.790 175.510 -0.102 0.000 1.134 106 N CA 0.442 53.423 53.050 -0.116 0.000 0.878 106 N CB 0.174 38.540 38.487 -0.202 0.000 0.972 106 N HN 0.734 nan 8.380 nan 0.000 0.456 107 I N -2.356 118.087 120.570 -0.212 0.000 5.007 107 I HA 0.344 4.508 4.170 -0.009 0.000 0.323 107 I C -0.699 175.211 176.117 -0.345 0.000 1.195 107 I CA 0.027 61.174 61.300 -0.256 0.000 1.407 107 I CB 0.518 38.282 38.000 -0.394 0.000 1.544 107 I HN 0.040 nan 8.210 nan 0.000 0.505 108 A N 1.321 123.865 122.820 -0.461 0.000 3.409 108 A HA 0.679 4.993 4.320 -0.009 0.000 0.282 108 A C -0.332 177.184 177.584 -0.114 0.000 1.064 108 A CA 0.152 52.011 52.037 -0.296 0.000 0.889 108 A CB -0.048 18.712 19.000 -0.400 0.000 1.251 108 A HN 0.257 nan 8.150 nan 0.000 0.538 109 S N -0.622 115.034 115.700 -0.073 0.000 2.697 109 S HA 0.783 5.248 4.470 -0.009 0.000 0.289 109 S C -2.606 171.911 174.600 -0.137 0.000 1.149 109 S CA -1.357 56.821 58.200 -0.037 0.000 0.850 109 S CB 1.524 64.734 63.200 0.015 0.000 1.151 109 S HN -0.052 nan 8.310 nan 0.000 0.491 110 P HA -0.008 nan 4.420 nan 0.000 0.218 110 P C 1.513 178.514 177.300 -0.498 0.000 1.148 110 P CA 1.989 64.709 63.100 -0.634 0.000 0.822 110 P CB -0.229 30.626 31.700 -1.409 0.000 0.784 111 A N -0.586 122.041 122.820 -0.322 0.000 1.902 111 A HA -0.266 4.049 4.320 -0.009 0.000 0.217 111 A C 2.181 179.918 177.584 0.254 0.000 1.181 111 A CA 1.813 53.910 52.037 0.100 0.000 0.623 111 A CB -1.235 17.898 19.000 0.221 0.000 0.818 111 A HN 0.158 nan 8.150 nan 0.000 0.443 112 Q N -0.066 119.805 119.800 0.118 0.000 2.083 112 Q HA -0.095 4.240 4.340 -0.009 0.000 0.198 112 Q C 1.598 177.632 176.000 0.057 0.000 0.969 112 Q CA 1.560 57.434 55.803 0.118 0.000 0.838 112 Q CB -0.201 28.561 28.738 0.040 0.000 0.900 112 Q HN 0.598 nan 8.270 nan 0.000 0.436 113 D N 0.323 120.741 120.400 0.030 0.000 2.117 113 D HA -0.137 4.498 4.640 -0.009 0.000 0.197 113 D C 1.744 178.132 176.300 0.148 0.000 0.987 113 D CA 0.973 55.012 54.000 0.065 0.000 0.829 113 D CB -0.130 40.722 40.800 0.087 0.000 0.961 113 D HN 0.249 nan 8.370 nan 0.000 0.460 114 I N 0.372 121.025 120.570 0.138 0.000 2.286 114 I HA -0.215 3.949 4.170 -0.009 0.000 0.248 114 I C 2.593 178.998 176.117 0.481 0.000 1.115 114 I CA 0.835 62.277 61.300 0.236 0.000 1.392 114 I CB -0.098 37.852 38.000 -0.082 0.000 1.065 114 I HN -0.045 nan 8.210 nan 0.000 0.418 115 R N 1.230 121.936 120.500 0.344 0.000 2.080 115 R HA -0.055 4.280 4.340 -0.009 0.000 0.222 115 R C 2.374 178.694 176.300 0.034 0.000 1.107 115 R CA 1.237 57.435 56.100 0.164 0.000 0.980 115 R CB -0.176 29.755 30.300 -0.616 0.000 0.879 115 R HN 0.286 nan 8.270 nan 0.000 0.439 116 A N 1.332 124.116 122.820 -0.060 0.000 1.986 116 A HA -0.194 4.121 4.320 -0.009 0.000 0.220 116 A C 2.023 179.596 177.584 -0.020 0.000 1.171 116 A CA 1.337 53.314 52.037 -0.100 0.000 0.640 116 A CB -0.547 18.404 19.000 -0.082 0.000 0.811 116 A HN 0.421 nan 8.150 nan 0.000 0.451 117 I N -1.472 119.117 120.570 0.032 0.000 2.454 117 I HA -0.180 3.984 4.170 -0.009 0.000 0.254 117 I C 1.852 177.880 176.117 -0.148 0.000 1.156 117 I CA 1.166 62.417 61.300 -0.082 0.000 1.433 117 I CB -0.339 37.578 38.000 -0.138 0.000 1.082 117 I HN 0.329 nan 8.210 nan 0.000 0.432 118 F N 0.750 120.723 119.950 0.039 0.000 2.269 118 F HA -0.220 4.302 4.527 -0.010 0.000 0.301 118 F C 2.160 177.965 175.800 0.008 0.000 1.082 118 F CA 1.358 59.401 58.000 0.073 0.000 1.360 118 F CB -0.704 38.455 39.000 0.266 0.000 1.041 118 F HN 0.148 nan 8.300 nan 0.000 0.512 119 D N 0.465 120.938 120.400 0.120 0.000 2.219 119 D HA -0.057 4.577 4.640 -0.009 0.000 0.205 119 D C 1.142 177.417 176.300 -0.043 0.000 0.970 119 D CA 0.819 54.837 54.000 0.030 0.000 0.851 119 D CB -0.256 40.517 40.800 -0.046 0.000 0.943 119 D HN 0.180 nan 8.370 nan 0.000 0.488 123 T N -3.836 110.588 114.554 -0.218 0.000 3.516 123 T HA 0.249 4.593 4.350 -0.009 0.000 0.300 123 T C -0.260 174.545 174.700 0.176 0.000 0.995 123 T CA -0.276 61.652 62.100 -0.287 0.000 0.982 123 T CB -0.286 68.451 68.868 -0.219 0.000 1.199 123 T HN 0.202 nan 8.240 nan 0.000 0.481 124 D N 2.080 122.677 120.400 0.329 0.000 2.392 124 D HA 0.129 4.763 4.640 -0.009 0.000 0.206 124 D C 1.090 177.401 176.300 0.019 0.000 1.046 124 D CA 0.616 54.724 54.000 0.179 0.000 0.865 124 D CB 1.030 41.916 40.800 0.143 0.000 0.969 124 D HN 0.679 nan 8.370 nan 0.000 0.509 125 T N -3.130 111.319 114.554 -0.176 0.000 2.901 125 T HA 0.358 4.702 4.350 -0.009 0.000 0.293 125 T C 1.380 176.079 174.700 -0.001 0.000 1.084 125 T CA -0.695 61.280 62.100 -0.208 0.000 1.008 125 T CB 2.053 70.621 68.868 -0.502 0.000 1.170 125 T HN -0.279 nan 8.240 nan 0.000 0.509 126 V N 0.983 120.904 119.914 0.012 0.000 2.282 126 V HA -0.183 3.931 4.120 -0.009 0.000 0.249 126 V C 2.796 178.904 176.094 0.025 0.000 1.057 126 V CA 2.524 64.864 62.300 0.066 0.000 1.032 126 V CB -0.927 30.904 31.823 0.012 0.000 0.645 126 V HN 1.075 nan 8.190 nan 0.000 0.447 127 E N -0.697 119.432 120.200 -0.117 0.000 2.085 127 E HA -0.261 4.083 4.350 -0.009 0.000 0.194 127 E C 2.135 178.542 176.600 -0.322 0.000 0.994 127 E CA 1.745 58.001 56.400 -0.240 0.000 0.801 127 E CB -0.196 29.332 29.700 -0.285 0.000 0.743 127 E HN 0.795 nan 8.360 nan 0.000 0.453 128 H N -1.690 117.219 119.070 -0.269 0.000 2.352 128 H HA -0.172 4.379 4.556 -0.009 0.000 0.299 128 H C 1.707 176.885 175.328 -0.252 0.000 1.097 128 H CA 1.294 57.172 56.048 -0.284 0.000 1.311 128 H CB -0.128 29.456 29.762 -0.297 0.000 1.377 128 H HN 0.345 nan 8.280 nan 0.000 0.504 129 W N 1.341 122.690 121.300 0.082 0.000 2.436 129 W HA -0.061 4.593 4.660 -0.009 0.000 0.284 129 W C 2.276 178.830 176.519 0.058 0.000 1.225 129 W CA 0.535 57.921 57.345 0.069 0.000 1.271 129 W CB 0.090 29.573 29.460 0.038 0.000 1.114 129 W HN 0.252 nan 8.180 nan 0.000 0.559 130 E N -0.754 119.562 120.200 0.192 0.000 2.077 130 E HA -0.240 4.104 4.350 -0.009 0.000 0.193 130 E C 1.605 178.318 176.600 0.188 0.000 0.989 130 E CA 1.650 58.131 56.400 0.135 0.000 0.800 130 E CB -0.487 29.238 29.700 0.041 0.000 0.746 130 E HN 0.546 nan 8.360 nan 0.000 0.452 131 H N 0.208 119.332 119.070 0.092 0.000 2.353 131 H HA -0.085 4.465 4.556 -0.009 0.000 0.300 131 H C 2.278 177.641 175.328 0.059 0.000 1.090 131 H CA 0.899 56.969 56.048 0.037 0.000 1.327 131 H CB 0.018 29.768 29.762 -0.021 0.000 1.383 131 H HN 0.103 nan 8.280 nan 0.000 0.508 132 I N 0.789 121.487 120.570 0.214 0.000 2.163 132 I HA -0.290 3.875 4.170 -0.009 0.000 0.243 132 I C 2.840 179.196 176.117 0.399 0.000 1.085 132 I CA 0.966 62.441 61.300 0.291 0.000 1.347 132 I CB -0.333 37.773 38.000 0.176 0.000 1.044 132 I HN 0.297 nan 8.210 nan 0.000 0.408 133 A N 0.916 123.934 122.820 0.331 0.000 1.908 133 A HA -0.149 4.165 4.320 -0.009 0.000 0.218 133 A C 2.439 180.163 177.584 0.234 0.000 1.181 133 A CA 2.010 54.209 52.037 0.270 0.000 0.627 133 A CB -1.485 17.645 19.000 0.217 0.000 0.818 133 A HN 0.483 nan 8.150 nan 0.000 0.445 134 G N -0.767 108.161 108.800 0.212 0.000 2.418 134 G HA2 -0.249 3.705 3.960 -0.009 0.000 0.217 134 G HA3 -0.249 3.705 3.960 -0.009 0.000 0.217 134 G C 1.751 176.759 174.900 0.179 0.000 1.158 134 G CA 1.041 46.243 45.100 0.169 0.000 0.771 134 G HN 0.570 nan 8.290 nan 0.000 0.545 135 R N 0.509 121.126 120.500 0.195 0.000 2.075 135 R HA 0.076 4.411 4.340 -0.009 0.000 0.232 135 R C 2.867 179.460 176.300 0.489 0.000 1.126 135 R CA 1.355 57.566 56.100 0.185 0.000 0.963 135 R CB -0.407 29.816 30.300 -0.128 0.000 0.858 135 R HN 0.257 nan 8.270 nan 0.000 0.435 136 A N 0.799 123.981 122.820 0.602 0.000 1.948 136 A HA -0.159 4.155 4.320 -0.009 0.000 0.220 136 A C 2.277 179.999 177.584 0.231 0.000 1.177 136 A CA 1.860 54.163 52.037 0.443 0.000 0.636 136 A CB -0.707 18.445 19.000 0.254 0.000 0.815 136 A HN 0.547 nan 8.150 nan 0.000 0.449 137 A N -0.609 122.332 122.820 0.203 0.000 2.119 137 A HA -0.054 4.260 4.320 -0.009 0.000 0.216 137 A C 1.674 179.338 177.584 0.133 0.000 1.152 137 A CA 1.270 53.383 52.037 0.127 0.000 0.708 137 A CB -0.592 18.474 19.000 0.110 0.000 0.805 137 A HN 0.708 nan 8.150 nan 0.000 0.460 138 N N -0.683 118.144 118.700 0.213 0.000 2.353 138 N HA 0.052 4.786 4.740 -0.009 0.000 0.185 138 N C 1.242 176.893 175.510 0.235 0.000 1.098 138 N CA 0.347 53.545 53.050 0.246 0.000 0.872 138 N CB 0.214 38.886 38.487 0.308 0.000 0.970 138 N HN 0.207 nan 8.380 nan 0.000 0.467 139 V N 2.017 122.057 119.914 0.210 0.000 2.282 139 V HA -0.186 3.928 4.120 -0.009 0.000 0.249 139 V C -0.737 175.266 176.094 -0.151 0.000 1.057 139 V CA 1.952 64.235 62.300 -0.027 0.000 1.032 139 V CB -1.179 30.645 31.823 0.003 0.000 0.645 139 V HN 0.221 nan 8.190 nan 0.000 0.447 140 P HA -0.135 nan 4.420 nan 0.000 0.215 140 P C 1.711 178.961 177.300 -0.084 0.000 1.153 140 P CA 1.916 64.957 63.100 -0.100 0.000 0.853 140 P CB -0.341 31.328 31.700 -0.051 0.000 0.788 141 G N -0.199 108.582 108.800 -0.031 0.000 2.422 141 G HA2 -0.235 3.720 3.960 -0.009 0.000 0.218 141 G HA3 -0.235 3.720 3.960 -0.009 0.000 0.218 141 G C 1.619 176.511 174.900 -0.013 0.000 1.146 141 G CA 0.922 46.021 45.100 -0.002 0.000 0.769 141 G HN 0.321 nan 8.290 nan 0.000 0.547 142 A N 0.916 123.688 122.820 -0.080 0.000 1.873 142 A HA 0.090 4.404 4.320 -0.009 0.000 0.215 142 A C 2.343 179.820 177.584 -0.179 0.000 1.186 142 A CA 1.206 53.173 52.037 -0.117 0.000 0.616 142 A CB -0.262 18.395 19.000 -0.571 0.000 0.823 142 A HN 0.265 nan 8.150 nan 0.000 0.442 143 I N -0.019 120.396 120.570 -0.258 0.000 2.226 143 I HA -0.189 3.976 4.170 -0.009 0.000 0.245 143 I C 2.482 178.516 176.117 -0.137 0.000 1.100 143 I CA 1.935 63.098 61.300 -0.228 0.000 1.374 143 I CB -1.226 36.577 38.000 -0.327 0.000 1.057 143 I HN 0.417 nan 8.210 nan 0.000 0.413 144 E N 1.504 121.630 120.200 -0.122 0.000 2.058 144 E HA -0.168 4.176 4.350 -0.009 0.000 0.194 144 E C 2.244 178.790 176.600 -0.090 0.000 0.997 144 E CA 1.810 58.141 56.400 -0.116 0.000 0.801 144 E CB -0.718 28.934 29.700 -0.079 0.000 0.746 144 E HN 0.408 nan 8.360 nan 0.000 0.450 145 G N -0.778 108.014 108.800 -0.012 0.000 2.422 145 G HA2 -0.303 3.652 3.960 -0.009 0.000 0.218 145 G HA3 -0.303 3.652 3.960 -0.009 0.000 0.218 145 G C 1.586 176.541 174.900 0.092 0.000 1.146 145 G CA 0.959 46.091 45.100 0.053 0.000 0.769 145 G HN 0.411 nan 8.290 nan 0.000 0.547 146 Y N 1.346 121.598 120.300 -0.081 0.000 2.200 146 Y HA 0.012 4.556 4.550 -0.010 0.000 0.290 146 Y C 2.501 178.308 175.900 -0.154 0.000 1.137 146 Y CA 0.810 58.844 58.100 -0.109 0.000 1.163 146 Y CB -0.293 38.005 38.460 -0.271 0.000 0.988 146 Y HN 0.196 nan 8.280 nan 0.000 0.518 147 I N 0.138 120.466 120.570 -0.403 0.000 2.226 147 I HA -0.333 3.831 4.170 -0.009 0.000 0.245 147 I C 2.676 178.475 176.117 -0.529 0.000 1.100 147 I CA 1.271 62.140 61.300 -0.719 0.000 1.374 147 I CB -0.805 36.708 38.000 -0.811 0.000 1.057 147 I HN 0.302 nan 8.210 nan 0.000 0.413 148 A N 0.100 122.746 122.820 -0.291 0.000 1.908 148 A HA -0.226 4.089 4.320 -0.009 0.000 0.218 148 A C 2.483 179.997 177.584 -0.117 0.000 1.181 148 A CA 2.376 54.311 52.037 -0.170 0.000 0.627 148 A CB -0.718 18.231 19.000 -0.086 0.000 0.818 148 A HN 0.408 nan 8.150 nan 0.000 0.445 149 S N -0.232 115.418 115.700 -0.083 0.000 2.368 149 S HA -0.052 4.412 4.470 -0.009 0.000 0.224 149 S C 1.820 176.379 174.600 -0.069 0.000 1.029 149 S CA 1.371 59.556 58.200 -0.025 0.000 0.988 149 S CB -0.447 62.803 63.200 0.083 0.000 0.838 149 S HN 0.519 nan 8.310 nan 0.000 0.462 150 L N 1.004 122.128 121.223 -0.165 0.000 2.046 150 L HA -0.094 4.240 4.340 -0.009 0.000 0.208 150 L C 2.735 179.622 176.870 0.029 0.000 1.077 150 L CA 1.297 56.083 54.840 -0.090 0.000 0.747 150 L CB -0.451 41.530 42.059 -0.130 0.000 0.896 150 L HN 0.238 nan 8.230 nan 0.000 0.432 151 R N 0.293 120.791 120.500 -0.003 0.000 2.075 151 R HA -0.151 4.183 4.340 -0.009 0.000 0.232 151 R C 2.386 178.689 176.300 0.005 0.000 1.126 151 R CA 1.363 57.504 56.100 0.068 0.000 0.963 151 R CB -0.228 30.063 30.300 -0.015 0.000 0.858 151 R HN 0.337 nan 8.270 nan 0.000 0.435 152 A N 0.705 123.504 122.820 -0.034 0.000 1.902 152 A HA -0.128 4.186 4.320 -0.009 0.000 0.217 152 A C 2.320 179.863 177.584 -0.069 0.000 1.181 152 A CA 1.755 53.766 52.037 -0.043 0.000 0.623 152 A CB -0.718 18.258 19.000 -0.039 0.000 0.818 152 A HN 0.536 nan 8.150 nan 0.000 0.443 153 A N -0.041 122.730 122.820 -0.083 0.000 1.898 153 A HA -0.154 4.160 4.320 -0.009 0.000 0.216 153 A C 2.125 179.621 177.584 -0.147 0.000 1.181 153 A CA 1.998 53.942 52.037 -0.155 0.000 0.620 153 A CB -0.498 18.400 19.000 -0.170 0.000 0.819 153 A HN 0.592 nan 8.150 nan 0.000 0.442 154 K N -0.327 120.030 120.400 -0.072 0.000 2.074 154 K HA -0.249 4.065 4.320 -0.009 0.000 0.209 154 K C 1.215 177.785 176.600 -0.049 0.000 1.048 154 K CA 1.955 58.214 56.287 -0.046 0.000 0.926 154 K CB -0.309 32.196 32.500 0.008 0.000 0.713 154 K HN 0.346 nan 8.250 nan 0.000 0.444 155 D N 0.721 121.097 120.400 -0.040 0.000 2.218 155 D HA -0.141 4.493 4.640 -0.009 0.000 0.204 155 D C 0.932 177.200 176.300 -0.054 0.000 0.976 155 D CA 1.119 55.096 54.000 -0.037 0.000 0.853 155 D CB -0.196 40.587 40.800 -0.029 0.000 0.939 155 D HN 0.312 nan 8.370 nan 0.000 0.481 156 D N -0.413 119.934 120.400 -0.088 0.000 2.395 156 D HA 0.082 4.717 4.640 -0.009 0.000 0.226 156 D C -0.174 176.049 176.300 -0.127 0.000 1.146 156 D CA -0.186 53.749 54.000 -0.107 0.000 0.830 156 D CB -0.111 40.604 40.800 -0.141 0.000 0.958 156 D HN -0.062 nan 8.370 nan 0.000 0.501 157 R N -0.293 120.147 120.500 -0.099 0.000 3.525 157 R HA -0.193 4.141 4.340 -0.009 0.000 0.276 157 R C -0.581 175.646 176.300 -0.122 0.000 1.116 157 R CA 0.689 56.748 56.100 -0.068 0.000 0.745 157 R CB -1.719 28.570 30.300 -0.018 0.000 1.185 157 R HN 0.197 nan 8.270 nan 0.000 0.454 158 K N 0.782 121.010 120.400 -0.286 0.000 2.521 158 K HA 0.454 4.768 4.320 -0.009 0.000 0.248 158 K C -0.799 175.600 176.600 -0.336 0.000 0.978 158 K CA -0.532 55.339 56.287 -0.693 0.000 0.947 158 K CB 2.115 33.785 32.500 -1.383 0.000 1.165 158 K HN -0.118 nan 8.250 nan 0.000 0.445 159 V N 1.612 121.547 119.914 0.035 0.000 2.709 159 V HA 0.491 4.606 4.120 -0.009 0.000 0.308 159 V C 0.069 176.351 176.094 0.313 0.000 1.062 159 V CA -1.310 61.074 62.300 0.140 0.000 0.901 159 V CB 1.735 33.603 31.823 0.076 0.000 1.003 159 V HN 0.845 nan 8.190 nan 0.000 0.425 160 A N 3.038 126.018 122.820 0.267 0.000 2.507 160 A HA 0.636 4.950 4.320 -0.009 0.000 0.235 160 A C 0.928 178.605 177.584 0.155 0.000 1.070 160 A CA 0.529 52.709 52.037 0.238 0.000 0.768 160 A CB 0.104 19.221 19.000 0.193 0.000 1.011 160 A HN 1.774 nan 8.150 nan 0.000 0.502 161 A N 0.879 123.776 122.820 0.128 0.000 2.561 161 A HA 0.411 4.725 4.320 -0.009 0.000 0.234 161 A C 1.647 179.267 177.584 0.060 0.000 1.055 161 A CA 0.496 52.584 52.037 0.085 0.000 0.756 161 A CB -0.486 18.555 19.000 0.069 0.000 0.986 161 A HN 2.150 nan 8.150 nan 0.000 0.505 162 A N 1.917 124.763 122.820 0.042 0.000 1.917 162 A HA -0.213 4.101 4.320 -0.009 0.000 0.219 162 A C 2.217 179.811 177.584 0.017 0.000 1.182 162 A CA 2.002 54.053 52.037 0.024 0.000 0.633 162 A CB -0.529 18.481 19.000 0.017 0.000 0.819 162 A HN 0.976 nan 8.150 nan 0.000 0.448 163 R N -0.921 119.588 120.500 0.015 0.000 2.096 163 R HA -0.213 4.122 4.340 -0.009 0.000 0.240 163 R C 2.214 178.513 176.300 -0.001 0.000 1.139 163 R CA 1.915 58.016 56.100 0.002 0.000 0.952 163 R CB -0.276 30.016 30.300 -0.014 0.000 0.854 163 R HN 0.544 nan 8.270 nan 0.000 0.436 164 Q N 0.341 120.147 119.800 0.011 0.000 2.079 164 Q HA -0.105 4.229 4.340 -0.009 0.000 0.200 164 Q C 2.273 178.289 176.000 0.028 0.000 0.974 164 Q CA 1.313 57.126 55.803 0.017 0.000 0.840 164 Q CB -0.176 28.591 28.738 0.047 0.000 0.898 164 Q HN 0.481 nan 8.270 nan 0.000 0.430 165 I N 0.472 121.062 120.570 0.033 0.000 2.226 165 I HA -0.293 3.871 4.170 -0.009 0.000 0.245 165 I C 2.501 178.625 176.117 0.012 0.000 1.100 165 I CA 1.178 62.494 61.300 0.028 0.000 1.374 165 I CB -0.235 37.772 38.000 0.012 0.000 1.057 165 I HN 0.148 nan 8.210 nan 0.000 0.413 166 R N 0.428 120.930 120.500 0.003 0.000 2.081 166 R HA -0.135 4.199 4.340 -0.009 0.000 0.235 166 R C 2.310 178.607 176.300 -0.005 0.000 1.131 166 R CA 1.228 57.326 56.100 -0.003 0.000 0.960 166 R CB -0.236 30.063 30.300 -0.002 0.000 0.856 166 R HN 0.306 nan 8.270 nan 0.000 0.436 167 I N 0.434 121.000 120.570 -0.006 0.000 2.226 167 I HA -0.208 3.957 4.170 -0.009 0.000 0.245 167 I C 2.278 178.382 176.117 -0.023 0.000 1.100 167 I CA 1.389 62.681 61.300 -0.013 0.000 1.374 167 I CB -0.609 37.378 38.000 -0.023 0.000 1.057 167 I HN 0.007 nan 8.210 nan 0.000 0.413 168 V N 1.043 120.953 119.914 -0.007 0.000 2.548 168 V HA -0.195 3.919 4.120 -0.009 0.000 0.249 168 V C 2.435 178.518 176.094 -0.017 0.000 1.055 168 V CA 1.148 63.444 62.300 -0.007 0.000 1.065 168 V CB -0.263 31.596 31.823 0.060 0.000 0.681 168 V HN 0.255 nan 8.190 nan 0.000 0.462 169 I N -0.004 120.566 120.570 0.000 0.000 2.163 169 I HA -0.248 3.916 4.170 -0.009 0.000 0.243 169 I C 2.727 178.822 176.117 -0.037 0.000 1.085 169 I CA 1.821 63.119 61.300 -0.003 0.000 1.347 169 I CB -0.429 37.572 38.000 0.001 0.000 1.044 169 I HN 0.339 nan 8.210 nan 0.000 0.408 170 E N 0.970 121.143 120.200 -0.044 0.000 2.051 170 E HA -0.261 4.083 4.350 -0.009 0.000 0.192 170 E C 2.138 178.665 176.600 -0.122 0.000 0.991 170 E CA 1.673 58.039 56.400 -0.057 0.000 0.799 170 E CB -0.067 29.612 29.700 -0.034 0.000 0.748 170 E HN 0.572 nan 8.360 nan 0.000 0.449 171 Q N -0.503 119.188 119.800 -0.182 0.000 2.079 171 Q HA -0.105 4.229 4.340 -0.009 0.000 0.200 171 Q C 2.249 177.814 176.000 -0.724 0.000 0.974 171 Q CA 2.148 57.735 55.803 -0.360 0.000 0.840 171 Q CB -0.106 28.436 28.738 -0.327 0.000 0.898 171 Q HN 0.424 nan 8.270 nan 0.000 0.430 172 T N -2.817 111.408 114.554 -0.549 0.000 2.985 172 T HA 0.000 4.345 4.350 -0.009 0.000 0.266 172 T C 1.900 176.486 174.700 -0.190 0.000 1.076 172 T CA 0.861 62.648 62.100 -0.522 0.000 1.135 172 T CB -0.410 68.447 68.868 -0.018 0.000 0.890 172 T HN 0.313 nan 8.240 nan 0.000 0.480 173 G N 1.952 110.687 108.800 -0.108 0.000 2.442 173 G HA2 -0.192 3.763 3.960 -0.009 0.000 0.219 173 G HA3 -0.192 3.763 3.960 -0.009 0.000 0.219 173 G C 1.915 176.811 174.900 -0.007 0.000 1.141 173 G CA 0.196 45.285 45.100 -0.019 0.000 0.763 173 G HN 0.367 nan 8.290 nan 0.000 0.554 174 R N -0.186 120.277 120.500 -0.061 0.000 2.075 174 R HA -0.034 4.300 4.340 -0.009 0.000 0.232 174 R C 2.256 178.638 176.300 0.137 0.000 1.126 174 R CA 0.851 56.962 56.100 0.019 0.000 0.963 174 R CB -1.138 29.165 30.300 0.005 0.000 0.858 174 R HN 0.431 nan 8.270 nan 0.000 0.435 175 Y N 0.885 121.156 120.300 -0.048 0.000 2.241 175 Y HA -0.096 4.448 4.550 -0.009 0.000 0.286 175 Y C 2.265 178.252 175.900 0.145 0.000 1.166 175 Y CA 0.654 58.726 58.100 -0.046 0.000 1.203 175 Y CB -0.868 37.394 38.460 -0.331 0.000 0.977 175 Y HN 0.094 nan 8.280 nan 0.000 0.529 176 A N -0.625 122.360 122.820 0.275 0.000 2.308 176 A HA 0.511 4.826 4.320 -0.009 0.000 0.217 176 A C 1.516 179.197 177.584 0.161 0.000 1.216 176 A CA 0.331 52.517 52.037 0.248 0.000 0.864 176 A CB -0.694 18.441 19.000 0.225 0.000 0.902 176 A HN 0.200 nan 8.150 nan 0.000 0.499 177 A N -0.159 122.739 122.820 0.130 0.000 2.386 177 A HA 0.385 4.699 4.320 -0.009 0.000 0.246 177 A C 1.089 178.719 177.584 0.076 0.000 1.089 177 A CA -0.123 51.965 52.037 0.085 0.000 0.790 177 A CB 0.246 19.284 19.000 0.064 0.000 1.042 177 A HN 0.261 nan 8.150 nan 0.000 0.497 178 E N 0.093 120.324 120.200 0.052 0.000 2.160 178 E HA -0.149 4.195 4.350 -0.009 0.000 0.195 178 E C -0.080 176.537 176.600 0.030 0.000 0.991 178 E CA 1.433 57.856 56.400 0.038 0.000 0.810 178 E CB 0.016 29.731 29.700 0.026 0.000 0.742 178 E HN 0.609 nan 8.360 nan 0.000 0.466 179 D N -0.339 120.079 120.400 0.030 0.000 2.696 179 D HA 0.202 4.836 4.640 -0.009 0.000 0.269 179 D C 0.276 176.595 176.300 0.031 0.000 1.319 179 D CA -0.009 54.002 54.000 0.019 0.000 0.826 179 D CB 0.289 41.097 40.800 0.012 0.000 1.086 179 D HN 0.016 nan 8.370 nan 0.000 0.481 180 G N -0.584 108.249 108.800 0.056 0.000 2.543 180 G HA2 0.126 4.081 3.960 -0.009 0.000 0.290 180 G HA3 0.126 4.081 3.960 -0.009 0.000 0.290 180 G C 0.797 175.734 174.900 0.062 0.000 1.310 180 G CA -0.573 44.582 45.100 0.091 0.000 1.025 180 G HN 0.104 nan 8.290 nan 0.000 0.502 181 F N -0.228 119.650 119.950 -0.121 0.000 2.043 181 F HA -0.155 4.366 4.527 -0.009 0.000 0.297 181 F C 2.309 177.898 175.800 -0.352 0.000 1.118 181 F CA 1.959 59.760 58.000 -0.330 0.000 1.202 181 F CB -0.396 38.216 39.000 -0.646 0.000 0.965 181 F HN 0.316 nan 8.300 nan 0.000 0.482 182 F N 0.062 119.899 119.950 -0.189 0.000 2.186 182 F HA -0.062 4.459 4.527 -0.010 0.000 0.299 182 F C 2.568 178.240 175.800 -0.213 0.000 1.090 182 F CA 0.952 58.774 58.000 -0.297 0.000 1.307 182 F CB -1.180 37.767 39.000 -0.088 0.000 1.019 182 F HN 0.093 nan 8.300 nan 0.000 0.489 183 A N 0.108 122.959 122.820 0.052 0.000 1.883 183 A HA -0.149 4.166 4.320 -0.009 0.000 0.217 183 A C 1.500 179.049 177.584 -0.059 0.000 1.186 183 A CA 1.120 53.163 52.037 0.010 0.000 0.624 183 A CB -0.618 18.399 19.000 0.028 0.000 0.822 183 A HN 0.227 nan 8.150 nan 0.000 0.444 187 A N 0.310 123.079 122.820 -0.086 0.000 1.933 187 A HA -0.054 4.260 4.320 -0.009 0.000 0.218 187 A C 1.264 178.791 177.584 -0.094 0.000 1.175 187 A CA 2.202 54.191 52.037 -0.080 0.000 0.628 187 A CB -0.387 18.579 19.000 -0.057 0.000 0.814 187 A HN 0.411 nan 8.150 nan 0.000 0.444 188 D N -0.538 119.805 120.400 -0.096 0.000 2.369 188 D HA 0.354 4.988 4.640 -0.009 0.000 0.211 188 D C 0.705 176.942 176.300 -0.105 0.000 1.077 188 D CA 0.583 54.535 54.000 -0.081 0.000 0.842 188 D CB -0.130 40.640 40.800 -0.050 0.000 0.947 188 D HN 0.418 nan 8.370 nan 0.000 0.509 189 A N 1.234 123.935 122.820 -0.199 0.000 2.587 189 A HA 0.331 4.645 4.320 -0.009 0.000 0.235 189 A C 0.703 178.047 177.584 -0.401 0.000 1.044 189 A CA 0.347 52.118 52.037 -0.442 0.000 0.754 189 A CB 0.072 18.526 19.000 -0.909 0.000 0.968 189 A HN 0.176 nan 8.150 nan 0.000 0.509 190 S N 1.141 116.657 115.700 -0.306 0.000 2.550 190 S HA 0.651 5.115 4.470 -0.009 0.000 0.270 190 S C -1.199 173.400 174.600 -0.003 0.000 1.145 190 S CA -0.745 57.354 58.200 -0.168 0.000 0.852 190 S CB 1.317 64.494 63.200 -0.039 0.000 1.119 190 S HN 1.430 nan 8.310 nan 0.000 0.465 191 L N 2.466 123.673 121.223 -0.027 0.000 2.349 191 L HA 0.790 5.124 4.340 -0.009 0.000 0.278 191 L C 0.830 177.737 176.870 0.062 0.000 0.996 191 L CA 1.486 56.386 54.840 0.101 0.000 0.825 191 L CB 0.817 42.888 42.059 0.020 0.000 1.243 191 L HN 1.484 nan 8.230 nan 0.000 0.412 192 G N 3.736 112.592 108.800 0.093 0.000 2.950 192 G HA2 -0.264 3.690 3.960 -0.009 0.000 0.299 192 G HA3 -0.264 3.690 3.960 -0.009 0.000 0.299 192 G C 0.159 175.089 174.900 0.050 0.000 1.310 192 G CA 0.420 45.553 45.100 0.055 0.000 0.994 192 G HN 0.625 nan 8.290 nan 0.000 0.575 193 D N 1.535 121.951 120.400 0.025 0.000 3.256 193 D HA 0.584 5.218 4.640 -0.009 0.000 0.332 193 D C 0.102 176.398 176.300 -0.007 0.000 1.327 193 D CA 0.757 54.767 54.000 0.016 0.000 0.735 193 D CB 0.373 41.183 40.800 0.017 0.000 1.280 193 D HN 0.934 nan 8.370 nan 0.000 0.572 194 A N 0.815 123.621 122.820 -0.023 0.000 2.469 194 A HA 0.814 5.129 4.320 -0.009 0.000 0.299 194 A C -2.751 174.783 177.584 -0.084 0.000 1.098 194 A CA -1.443 50.568 52.037 -0.044 0.000 0.737 194 A CB 1.660 20.637 19.000 -0.038 0.000 1.312 194 A HN -0.134 nan 8.150 nan 0.000 0.414 195 P HA 0.235 nan 4.420 nan 0.000 0.269 195 P C -0.348 176.850 177.300 -0.169 0.000 1.217 195 P CA -0.047 62.969 63.100 -0.140 0.000 0.783 195 P CB 0.296 31.931 31.700 -0.109 0.000 0.898 196 L N 2.660 123.730 121.223 -0.254 0.000 2.476 196 L HA 0.184 4.519 4.340 -0.009 0.000 0.264 196 L C -1.691 175.087 176.870 -0.153 0.000 1.224 196 L CA -1.688 52.993 54.840 -0.265 0.000 0.821 196 L CB -0.716 41.112 42.059 -0.385 0.000 1.101 196 L HN 0.294 nan 8.230 nan 0.000 0.488 197 P HA -0.032 nan 4.420 nan 0.000 0.267 197 P C 0.034 177.292 177.300 -0.070 0.000 1.201 197 P CA 0.019 63.077 63.100 -0.071 0.000 0.775 197 P CB 0.617 32.288 31.700 -0.048 0.000 0.854 198 A N 2.193 124.981 122.820 -0.052 0.000 1.908 198 A HA -0.254 4.060 4.320 -0.009 0.000 0.218 198 A C 2.145 179.708 177.584 -0.035 0.000 1.181 198 A CA 2.014 54.023 52.037 -0.045 0.000 0.627 198 A CB -1.162 17.818 19.000 -0.033 0.000 0.818 198 A HN 0.712 nan 8.150 nan 0.000 0.445 199 E N -0.680 119.505 120.200 -0.025 0.000 2.072 199 E HA -0.119 4.226 4.350 -0.009 0.000 0.191 199 E C 1.880 178.478 176.600 -0.004 0.000 0.985 199 E CA 1.303 57.696 56.400 -0.011 0.000 0.801 199 E CB -0.141 29.556 29.700 -0.005 0.000 0.750 199 E HN 0.304 nan 8.360 nan 0.000 0.452 200 V N 0.671 120.581 119.914 -0.007 0.000 2.548 200 V HA -0.196 3.919 4.120 -0.009 0.000 0.249 200 V C 2.340 178.428 176.094 -0.009 0.000 1.055 200 V CA 2.111 64.420 62.300 0.015 0.000 1.065 200 V CB -0.105 31.742 31.823 0.039 0.000 0.681 200 V HN 0.315 nan 8.190 nan 0.000 0.462 201 Q N 0.374 120.138 119.800 -0.061 0.000 2.061 201 Q HA -0.234 4.101 4.340 -0.009 0.000 0.204 201 Q C 1.790 177.768 176.000 -0.037 0.000 0.984 201 Q CA 2.605 58.357 55.803 -0.086 0.000 0.846 201 Q CB -0.402 28.269 28.738 -0.111 0.000 0.902 201 Q HN 0.681 nan 8.270 nan 0.000 0.421 202 D N -0.044 120.344 120.400 -0.021 0.000 2.144 202 D HA -0.147 4.487 4.640 -0.009 0.000 0.199 202 D C 1.630 177.940 176.300 0.016 0.000 0.984 202 D CA 1.295 55.292 54.000 -0.005 0.000 0.834 202 D CB -0.067 40.731 40.800 -0.003 0.000 0.955 202 D HN 0.379 nan 8.370 nan 0.000 0.465 203 K N 0.080 120.499 120.400 0.031 0.000 2.097 203 K HA -0.098 4.216 4.320 -0.009 0.000 0.205 203 K C 2.062 178.707 176.600 0.075 0.000 1.050 203 K CA 0.365 56.686 56.287 0.056 0.000 0.938 203 K CB -0.114 32.430 32.500 0.074 0.000 0.718 203 K HN 0.030 nan 8.250 nan 0.000 0.442 204 L N 1.694 122.963 121.223 0.076 0.000 2.056 204 L HA -0.155 4.179 4.340 -0.009 0.000 0.207 204 L C 1.297 178.203 176.870 0.060 0.000 1.078 204 L CA 1.892 56.793 54.840 0.101 0.000 0.749 204 L CB -0.326 41.791 42.059 0.097 0.000 0.901 204 L HN 0.083 nan 8.230 nan 0.000 0.433 205 D N 0.009 120.423 120.400 0.023 0.000 2.097 205 D HA -0.173 4.462 4.640 -0.009 0.000 0.195 205 D C 2.211 178.524 176.300 0.022 0.000 0.989 205 D CA 1.606 55.613 54.000 0.012 0.000 0.827 205 D CB -0.303 40.495 40.800 -0.004 0.000 0.966 205 D HN 0.486 nan 8.370 nan 0.000 0.456 206 A N 0.669 123.506 122.820 0.028 0.000 1.898 206 A HA 0.006 4.321 4.320 -0.009 0.000 0.216 206 A C 2.367 179.970 177.584 0.033 0.000 1.181 206 A CA 2.095 54.148 52.037 0.027 0.000 0.620 206 A CB -1.059 17.959 19.000 0.031 0.000 0.819 206 A HN 0.307 nan 8.150 nan 0.000 0.442 207 G N -0.423 108.410 108.800 0.055 0.000 2.404 207 G HA2 -0.182 3.773 3.960 -0.009 0.000 0.215 207 G HA3 -0.182 3.773 3.960 -0.009 0.000 0.215 207 G C 1.789 176.703 174.900 0.023 0.000 1.174 207 G CA 2.115 47.256 45.100 0.069 0.000 0.780 207 G HN 0.676 nan 8.290 nan 0.000 0.537 208 T N -1.094 113.480 114.554 0.033 0.000 2.788 208 T HA -0.098 4.246 4.350 -0.009 0.000 0.268 208 T C 2.481 177.155 174.700 -0.044 0.000 1.044 208 T CA 1.939 64.038 62.100 -0.002 0.000 1.139 208 T CB -0.418 68.495 68.868 0.074 0.000 0.867 208 T HN 0.136 nan 8.240 nan 0.000 0.454 209 S N 1.711 117.405 115.700 -0.010 0.000 2.368 209 S HA 0.153 4.617 4.470 -0.009 0.000 0.224 209 S C 2.650 177.233 174.600 -0.027 0.000 1.029 209 S CA 0.898 59.094 58.200 -0.006 0.000 0.988 209 S CB -0.834 62.370 63.200 0.005 0.000 0.838 209 S HN 0.776 nan 8.310 nan 0.000 0.462 210 A N 1.560 124.360 122.820 -0.033 0.000 1.908 210 A HA 0.047 4.361 4.320 -0.009 0.000 0.218 210 A C 2.330 179.855 177.584 -0.098 0.000 1.181 210 A CA 1.784 53.795 52.037 -0.043 0.000 0.627 210 A CB -1.035 17.954 19.000 -0.018 0.000 0.818 210 A HN 0.520 nan 8.150 nan 0.000 0.445 211 A N -0.359 122.343 122.820 -0.196 0.000 1.930 211 A HA -0.123 4.191 4.320 -0.009 0.000 0.217 211 A C 2.233 179.653 177.584 -0.274 0.000 1.175 211 A CA 1.369 53.164 52.037 -0.404 0.000 0.627 211 A CB -0.427 17.980 19.000 -0.989 0.000 0.815 211 A HN 0.557 nan 8.150 nan 0.000 0.443 212 R N -0.193 120.214 120.500 -0.155 0.000 2.073 212 R HA -0.081 4.253 4.340 -0.009 0.000 0.234 212 R C 2.461 178.807 176.300 0.076 0.000 1.134 212 R CA 1.636 57.769 56.100 0.054 0.000 0.952 212 R CB -0.440 29.907 30.300 0.077 0.000 0.850 212 R HN 0.493 nan 8.270 nan 0.000 0.433 213 S N 0.765 116.477 115.700 0.020 0.000 2.382 213 S HA -0.119 4.346 4.470 -0.009 0.000 0.228 213 S C 2.050 176.659 174.600 0.014 0.000 1.027 213 S CA 1.170 59.383 58.200 0.022 0.000 0.991 213 S CB -0.104 63.098 63.200 0.004 0.000 0.823 213 S HN 0.470 nan 8.310 nan 0.000 0.469 214 A N 0.322 123.125 122.820 -0.029 0.000 1.898 214 A HA -0.037 4.278 4.320 -0.009 0.000 0.216 214 A C 1.871 179.409 177.584 -0.076 0.000 1.181 214 A CA 1.141 53.122 52.037 -0.093 0.000 0.620 214 A CB -0.884 18.000 19.000 -0.194 0.000 0.819 214 A HN 0.551 nan 8.150 nan 0.000 0.442 215 Y N 0.459 120.772 120.300 0.021 0.000 2.293 215 Y HA -0.154 4.390 4.550 -0.010 0.000 0.291 215 Y C 3.014 178.958 175.900 0.073 0.000 1.137 215 Y CA 1.433 59.586 58.100 0.088 0.000 1.202 215 Y CB -0.023 38.553 38.460 0.193 0.000 0.990 215 Y HN 0.296 nan 8.280 nan 0.000 0.537 216 S N -0.257 115.562 115.700 0.198 0.000 2.382 216 S HA -0.254 4.210 4.470 -0.009 0.000 0.228 216 S C 2.261 176.916 174.600 0.091 0.000 1.027 216 S CA 1.037 59.312 58.200 0.124 0.000 0.991 216 S CB -0.529 62.727 63.200 0.093 0.000 0.823 216 S HN 0.541 nan 8.310 nan 0.000 0.469 217 A N 1.157 124.016 122.820 0.065 0.000 1.930 217 A HA 0.001 4.315 4.320 -0.009 0.000 0.217 217 A C 2.092 179.724 177.584 0.080 0.000 1.175 217 A CA 1.199 53.266 52.037 0.050 0.000 0.627 217 A CB -0.614 18.389 19.000 0.005 0.000 0.815 217 A HN 0.424 nan 8.150 nan 0.000 0.443 218 L N 0.256 121.521 121.223 0.070 0.000 1.994 218 L HA -0.004 4.331 4.340 -0.009 0.000 0.208 218 L C 2.398 179.369 176.870 0.168 0.000 1.071 218 L CA 2.478 57.385 54.840 0.113 0.000 0.745 218 L CB -1.239 40.872 42.059 0.088 0.000 0.892 218 L HN 0.287 nan 8.230 nan 0.000 0.431 219 G N -0.936 107.948 108.800 0.140 0.000 2.469 219 G HA2 -0.323 3.632 3.960 -0.009 0.000 0.220 219 G HA3 -0.323 3.632 3.960 -0.009 0.000 0.220 219 G C 1.574 176.518 174.900 0.073 0.000 1.136 219 G CA 1.057 46.216 45.100 0.099 0.000 0.759 219 G HN 0.692 nan 8.290 nan 0.000 0.562 220 A N 0.318 123.189 122.820 0.085 0.000 1.898 220 A HA 0.135 4.449 4.320 -0.009 0.000 0.216 220 A C 2.160 179.780 177.584 0.060 0.000 1.181 220 A CA 1.553 53.627 52.037 0.062 0.000 0.620 220 A CB -0.533 18.506 19.000 0.065 0.000 0.819 220 A HN 0.433 nan 8.150 nan 0.000 0.442 221 F N 0.844 120.784 119.950 -0.018 0.000 2.095 221 F HA -0.163 4.359 4.527 -0.009 0.000 0.298 221 F C 1.883 177.663 175.800 -0.033 0.000 1.104 221 F CA 1.785 59.765 58.000 -0.034 0.000 1.232 221 F CB -0.411 38.555 39.000 -0.057 0.000 0.987 221 F HN 0.139 nan 8.300 nan 0.000 0.475 222 L N 0.057 121.181 121.223 -0.165 0.000 2.017 222 L HA -0.216 4.119 4.340 -0.009 0.000 0.208 222 L C 2.769 179.511 176.870 -0.213 0.000 1.073 222 L CA 1.879 56.582 54.840 -0.228 0.000 0.745 222 L CB -0.750 41.304 42.059 -0.009 0.000 0.894 222 L HN 0.153 nan 8.230 nan 0.000 0.432 223 R N 0.069 120.499 120.500 -0.116 0.000 2.066 223 R HA -0.163 4.172 4.340 -0.009 0.000 0.232 223 R C 1.736 177.965 176.300 -0.118 0.000 1.131 223 R CA 1.975 58.021 56.100 -0.089 0.000 0.955 223 R CB -0.039 30.236 30.300 -0.041 0.000 0.851 223 R HN 0.303 nan 8.270 nan 0.000 0.432 224 D N -0.562 119.757 120.400 -0.134 0.000 2.240 224 D HA -0.039 4.596 4.640 -0.009 0.000 0.206 224 D C 1.338 177.543 176.300 -0.159 0.000 0.963 224 D CA 1.010 54.946 54.000 -0.108 0.000 0.863 224 D CB 0.295 41.061 40.800 -0.058 0.000 0.973 224 D HN 0.436 nan 8.370 nan 0.000 0.501 225 E N -0.558 119.456 120.200 -0.308 0.000 2.306 225 E HA 0.071 4.415 4.350 -0.009 0.000 0.201 225 E C 1.636 177.999 176.600 -0.396 0.000 0.874 225 E CA -0.130 56.059 56.400 -0.353 0.000 0.972 225 E CB 0.494 29.954 29.700 -0.400 0.000 0.957 225 E HN -0.024 nan 8.360 nan 0.000 0.492 226 L N 0.957 121.842 121.223 -0.564 0.000 2.130 226 L HA 0.029 4.364 4.340 -0.009 0.000 0.200 226 L C 2.131 178.888 176.870 -0.189 0.000 1.075 226 L CA 0.856 55.474 54.840 -0.370 0.000 0.768 226 L CB -0.290 41.531 42.059 -0.395 0.000 0.933 226 L HN 0.099 nan 8.230 nan 0.000 0.451 227 L N 0.652 121.773 121.223 -0.170 0.000 2.043 227 L HA -0.141 4.193 4.340 -0.009 0.000 0.212 227 L C -0.601 176.230 176.870 -0.065 0.000 1.075 227 L CA 2.169 56.955 54.840 -0.089 0.000 0.752 227 L CB -1.805 40.209 42.059 -0.076 0.000 0.891 227 L HN 0.176 nan 8.230 nan 0.000 0.432 228 P HA -0.128 nan 4.420 nan 0.000 0.219 228 P C 1.303 178.581 177.300 -0.036 0.000 1.146 228 P CA 1.761 64.830 63.100 -0.051 0.000 0.808 228 P CB -0.136 31.530 31.700 -0.058 0.000 0.779 229 V N -5.782 114.106 119.914 -0.043 0.000 3.427 229 V HA 0.563 4.678 4.120 -0.009 0.000 0.305 229 V C 0.699 176.793 176.094 -0.000 0.000 1.412 229 V CA -0.398 61.890 62.300 -0.021 0.000 1.086 229 V CB -0.841 30.965 31.823 -0.027 0.000 0.964 229 V HN -0.069 nan 8.190 nan 0.000 0.439 230 A N 2.559 125.378 122.820 -0.001 0.000 2.371 230 A HA 0.701 5.015 4.320 -0.009 0.000 0.257 230 A C -2.010 175.599 177.584 0.041 0.000 1.089 230 A CA -1.212 50.842 52.037 0.028 0.000 0.794 230 A CB -0.254 18.756 19.000 0.018 0.000 1.029 230 A HN 0.448 nan 8.150 nan 0.000 0.488 231 P HA 0.102 nan 4.420 nan 0.000 0.275 231 P C 0.357 177.686 177.300 0.048 0.000 1.227 231 P CA -0.157 62.980 63.100 0.062 0.000 0.781 231 P CB 1.024 32.775 31.700 0.086 0.000 0.906 232 E N 2.772 122.995 120.200 0.037 0.000 2.110 232 E HA -0.159 4.185 4.350 -0.009 0.000 0.193 232 E C 0.646 177.266 176.600 0.034 0.000 0.988 232 E CA 0.692 57.111 56.400 0.032 0.000 0.804 232 E CB 0.056 29.773 29.700 0.027 0.000 0.745 232 E HN 0.349 nan 8.360 nan 0.000 0.458 233 K N 1.174 121.595 120.400 0.036 0.000 2.412 233 K HA -0.049 4.266 4.320 -0.009 0.000 0.281 233 K C -0.001 176.618 176.600 0.033 0.000 1.027 233 K CA 0.164 56.469 56.287 0.031 0.000 0.989 233 K CB 0.718 33.236 32.500 0.031 0.000 0.935 233 K HN 0.049 nan 8.250 nan 0.000 0.475 234 D N 2.849 123.258 120.400 0.016 0.000 2.213 234 D HA -0.037 4.597 4.640 -0.009 0.000 0.205 234 D C 0.229 176.560 176.300 0.051 0.000 0.961 234 D CA 0.436 54.447 54.000 0.019 0.000 0.853 234 D CB 0.068 40.847 40.800 -0.035 0.000 0.967 234 D HN 0.655 nan 8.370 nan 0.000 0.496 235 A N 1.423 124.246 122.820 0.004 0.000 2.520 235 A HA 0.156 4.471 4.320 -0.009 0.000 0.245 235 A C 1.530 179.200 177.584 0.143 0.000 1.072 235 A CA -0.060 52.018 52.037 0.068 0.000 0.761 235 A CB 0.484 19.469 19.000 -0.024 0.000 1.004 235 A HN 0.098 nan 8.150 nan 0.000 0.499 236 V N 1.559 121.635 119.914 0.269 0.000 3.406 236 V HA 0.492 4.606 4.120 -0.009 0.000 0.263 236 V C 1.113 177.178 176.094 -0.048 0.000 1.172 236 V CA 0.685 62.984 62.300 -0.002 0.000 1.140 236 V CB -1.773 29.974 31.823 -0.128 0.000 0.784 236 V HN 2.535 nan 8.190 nan 0.000 0.467 237 G N 1.081 109.902 108.800 0.035 0.000 2.814 237 G HA2 -0.302 3.652 3.960 -0.009 0.000 0.677 237 G HA3 -0.302 3.652 3.960 -0.009 0.000 0.677 237 G C 0.440 175.356 174.900 0.027 0.000 1.429 237 G CA 0.398 45.502 45.100 0.007 0.000 0.868 237 G HN 0.708 nan 8.290 nan 0.000 0.553 238 R N 0.276 120.787 120.500 0.018 0.000 2.081 238 R HA -0.073 4.262 4.340 -0.009 0.000 0.235 238 R C 2.303 178.639 176.300 0.059 0.000 1.131 238 R CA 2.171 58.297 56.100 0.044 0.000 0.960 238 R CB -0.358 29.952 30.300 0.017 0.000 0.856 238 R HN 0.753 nan 8.270 nan 0.000 0.436 239 E N 0.185 120.398 120.200 0.021 0.000 2.051 239 E HA -0.194 4.151 4.350 -0.009 0.000 0.192 239 E C 2.192 178.784 176.600 -0.012 0.000 0.991 239 E CA 1.278 57.687 56.400 0.015 0.000 0.799 239 E CB 0.099 29.811 29.700 0.019 0.000 0.748 239 E HN 0.344 nan 8.360 nan 0.000 0.449 240 R N -0.842 119.610 120.500 -0.080 0.000 2.092 240 R HA -0.155 4.180 4.340 -0.009 0.000 0.231 240 R C 2.315 178.546 176.300 -0.115 0.000 1.119 240 R CA 1.438 57.437 56.100 -0.168 0.000 0.970 240 R CB -0.395 29.672 30.300 -0.388 0.000 0.864 240 R HN 0.310 nan 8.270 nan 0.000 0.440 241 Y N 0.741 120.961 120.300 -0.134 0.000 2.200 241 Y HA -0.211 4.335 4.550 -0.007 0.000 0.290 241 Y C 2.686 178.551 175.900 -0.059 0.000 1.137 241 Y CA 1.722 59.754 58.100 -0.113 0.000 1.163 241 Y CB -0.200 38.211 38.460 -0.083 0.000 0.988 241 Y HN -0.037 nan 8.280 nan 0.000 0.518 242 S N -0.333 115.417 115.700 0.083 0.000 2.383 242 S HA -0.148 4.316 4.470 -0.009 0.000 0.227 242 S C 1.970 176.540 174.600 -0.050 0.000 1.026 242 S CA 1.448 59.677 58.200 0.048 0.000 0.981 242 S CB -0.488 62.753 63.200 0.067 0.000 0.818 242 S HN 0.516 nan 8.310 nan 0.000 0.472 243 L N 0.859 122.042 121.223 -0.067 0.000 2.072 243 L HA 0.001 4.336 4.340 -0.009 0.000 0.205 243 L C 2.967 179.748 176.870 -0.149 0.000 1.079 243 L CA 1.144 55.937 54.840 -0.079 0.000 0.752 243 L CB -0.756 41.279 42.059 -0.041 0.000 0.906 243 L HN 0.380 nan 8.230 nan 0.000 0.436 244 A N -0.663 122.033 122.820 -0.207 0.000 1.877 244 A HA -0.249 4.065 4.320 -0.009 0.000 0.216 244 A C 2.552 179.986 177.584 -0.250 0.000 1.186 244 A CA 2.119 54.007 52.037 -0.248 0.000 0.620 244 A CB -0.809 18.033 19.000 -0.263 0.000 0.822 244 A HN 0.353 nan 8.150 nan 0.000 0.443 245 S N -0.571 114.932 115.700 -0.328 0.000 2.365 245 S HA -0.241 4.223 4.470 -0.009 0.000 0.225 245 S C 2.187 176.730 174.600 -0.095 0.000 1.039 245 S CA 1.758 59.843 58.200 -0.190 0.000 1.033 245 S CB -0.361 62.748 63.200 -0.151 0.000 0.887 245 S HN 0.611 nan 8.310 nan 0.000 0.447 246 R N 0.521 120.956 120.500 -0.109 0.000 2.117 246 R HA -0.044 4.290 4.340 -0.009 0.000 0.243 246 R C 2.687 178.890 176.300 -0.162 0.000 1.143 246 R CA 1.677 57.718 56.100 -0.099 0.000 0.968 246 R CB -0.576 29.679 30.300 -0.075 0.000 0.863 246 R HN 0.353 nan 8.270 nan 0.000 0.444 247 S N 0.230 115.763 115.700 -0.278 0.000 2.370 247 S HA -0.120 4.345 4.470 -0.009 0.000 0.226 247 S C 1.439 175.720 174.600 -0.531 0.000 1.033 247 S CA 1.343 59.270 58.200 -0.455 0.000 1.011 247 S CB -0.175 62.605 63.200 -0.699 0.000 0.852 247 S HN 0.211 nan 8.310 nan 0.000 0.457 248 F N 0.103 119.951 119.950 -0.171 0.000 2.569 248 F HA 0.369 4.890 4.527 -0.010 0.000 0.295 248 F C 1.689 177.377 175.800 -0.187 0.000 1.115 248 F CA 0.091 57.967 58.000 -0.207 0.000 1.450 248 F CB -0.130 38.701 39.000 -0.282 0.000 1.107 248 F HN 0.151 nan 8.300 nan 0.000 0.563 249 I N -1.773 118.784 120.570 -0.022 0.000 3.883 249 I HA 0.246 4.411 4.170 -0.009 0.000 0.305 249 I C 1.739 177.819 176.117 -0.061 0.000 1.247 249 I CA 0.591 61.873 61.300 -0.030 0.000 1.350 249 I CB -0.117 37.881 38.000 -0.002 0.000 1.194 249 I HN 0.087 nan 8.210 nan 0.000 0.441 250 G N 2.268 111.023 108.800 -0.074 0.000 2.198 250 G HA2 -0.138 3.817 3.960 -0.009 0.000 0.260 250 G HA3 -0.138 3.817 3.960 -0.009 0.000 0.260 250 G C 0.098 174.964 174.900 -0.057 0.000 1.025 250 G CA 0.359 45.417 45.100 -0.069 0.000 0.769 250 G HN 0.675 nan 8.290 nan 0.000 0.507 251 A N -0.920 121.872 122.820 -0.048 0.000 2.539 251 A HA 0.810 5.125 4.320 -0.009 0.000 0.296 251 A C -0.300 177.269 177.584 -0.025 0.000 1.073 251 A CA -0.002 52.011 52.037 -0.040 0.000 0.700 251 A CB 1.349 20.321 19.000 -0.047 0.000 1.296 251 A HN 0.597 nan 8.150 nan 0.000 0.405 252 E N 1.540 121.730 120.200 -0.017 0.000 2.079 252 E HA 0.445 4.790 4.350 -0.009 0.000 0.252 252 E C -0.108 176.497 176.600 0.009 0.000 0.992 252 E CA -0.526 55.873 56.400 -0.001 0.000 0.829 252 E CB 0.423 30.121 29.700 -0.003 0.000 1.158 252 E HN 0.736 nan 8.360 nan 0.000 0.435 253 V N 1.159 121.087 119.914 0.023 0.000 3.133 253 V HA 0.235 4.349 4.120 -0.009 0.000 0.305 253 V C 0.389 176.511 176.094 0.045 0.000 1.084 253 V CA -0.793 61.522 62.300 0.025 0.000 1.089 253 V CB 1.458 33.300 31.823 0.031 0.000 1.073 253 V HN 0.537 nan 8.190 nan 0.000 0.477 254 D N 1.818 122.242 120.400 0.040 0.000 2.338 254 D HA 0.196 4.831 4.640 -0.009 0.000 0.255 254 D C 0.899 177.248 176.300 0.082 0.000 1.237 254 D CA 0.148 54.180 54.000 0.053 0.000 0.883 254 D CB 1.096 41.922 40.800 0.045 0.000 1.087 254 D HN 0.637 nan 8.370 nan 0.000 0.485 255 L N 3.285 124.560 121.223 0.086 0.000 2.056 255 L HA -0.154 4.180 4.340 -0.009 0.000 0.207 255 L C 2.051 178.992 176.870 0.118 0.000 1.078 255 L CA 0.999 55.899 54.840 0.100 0.000 0.749 255 L CB -0.107 41.989 42.059 0.061 0.000 0.901 255 L HN 0.366 nan 8.230 nan 0.000 0.433 256 E N -0.313 119.946 120.200 0.098 0.000 2.072 256 E HA -0.216 4.129 4.350 -0.009 0.000 0.191 256 E C 2.131 178.853 176.600 0.203 0.000 0.985 256 E CA 0.761 57.246 56.400 0.141 0.000 0.801 256 E CB -0.100 29.656 29.700 0.093 0.000 0.750 256 E HN 0.255 nan 8.360 nan 0.000 0.452 257 E N 0.300 120.591 120.200 0.152 0.000 2.110 257 E HA -0.161 4.183 4.350 -0.009 0.000 0.193 257 E C 1.699 178.429 176.600 0.217 0.000 0.988 257 E CA 1.401 57.896 56.400 0.158 0.000 0.804 257 E CB -0.010 29.753 29.700 0.104 0.000 0.745 257 E HN 0.231 nan 8.360 nan 0.000 0.458 258 T N 0.311 114.995 114.554 0.216 0.000 2.777 258 T HA -0.147 4.198 4.350 -0.009 0.000 0.266 258 T C 1.566 176.501 174.700 0.392 0.000 1.040 258 T CA 1.252 63.525 62.100 0.288 0.000 1.141 258 T CB -0.540 68.452 68.868 0.207 0.000 0.868 258 T HN 0.298 nan 8.240 nan 0.000 0.444 259 Y N 2.437 122.847 120.300 0.184 0.000 2.097 259 Y HA -0.130 4.413 4.550 -0.012 0.000 0.282 259 Y C 2.564 178.562 175.900 0.164 0.000 1.152 259 Y CA 1.179 59.365 58.100 0.144 0.000 1.136 259 Y CB -0.884 37.622 38.460 0.076 0.000 0.975 259 Y HN 0.171 nan 8.280 nan 0.000 0.498 260 A N -0.177 122.725 122.820 0.137 0.000 1.908 260 A HA -0.279 4.036 4.320 -0.009 0.000 0.218 260 A C 2.136 179.757 177.584 0.062 0.000 1.181 260 A CA 1.786 53.846 52.037 0.039 0.000 0.627 260 A CB -1.844 17.238 19.000 0.137 0.000 0.818 260 A HN 0.859 nan 8.150 nan 0.000 0.445 261 W N 0.709 122.013 121.300 0.006 0.000 2.335 261 W HA -0.100 4.554 4.660 -0.009 0.000 0.311 261 W C 2.145 178.670 176.519 0.011 0.000 1.213 261 W CA 2.158 59.516 57.345 0.020 0.000 1.274 261 W CB -0.572 28.915 29.460 0.045 0.000 1.148 261 W HN 0.227 nan 8.180 nan 0.000 0.498 262 G N 0.074 108.797 108.800 -0.130 0.000 2.408 262 G HA2 -0.231 3.723 3.960 -0.009 0.000 0.217 262 G HA3 -0.231 3.723 3.960 -0.009 0.000 0.217 262 G C 1.397 176.114 174.900 -0.306 0.000 1.150 262 G CA 1.444 46.319 45.100 -0.376 0.000 0.776 262 G HN 0.259 nan 8.290 nan 0.000 0.542 263 V N 0.557 120.315 119.914 -0.260 0.000 2.295 263 V HA -0.213 3.902 4.120 -0.009 0.000 0.246 263 V C 2.792 178.830 176.094 -0.094 0.000 1.049 263 V CA 2.240 64.454 62.300 -0.144 0.000 1.024 263 V CB -0.355 31.339 31.823 -0.215 0.000 0.648 263 V HN 0.408 nan 8.190 nan 0.000 0.447 264 Q N 0.412 120.115 119.800 -0.162 0.000 2.119 264 Q HA -0.202 4.132 4.340 -0.009 0.000 0.201 264 Q C 2.045 177.928 176.000 -0.194 0.000 0.972 264 Q CA 2.054 57.776 55.803 -0.134 0.000 0.847 264 Q CB -0.340 28.341 28.738 -0.095 0.000 0.903 264 Q HN 0.682 nan 8.270 nan 0.000 0.433 265 E N -0.508 119.453 120.200 -0.399 0.000 2.072 265 E HA -0.134 4.211 4.350 -0.009 0.000 0.191 265 E C 1.708 178.181 176.600 -0.213 0.000 0.985 265 E CA 1.020 57.166 56.400 -0.422 0.000 0.801 265 E CB -0.526 28.634 29.700 -0.899 0.000 0.750 265 E HN 0.368 nan 8.360 nan 0.000 0.452 266 L N 1.074 122.206 121.223 -0.152 0.000 2.017 266 L HA -0.126 4.209 4.340 -0.009 0.000 0.208 266 L C 2.213 179.125 176.870 0.070 0.000 1.073 266 L CA 2.353 57.194 54.840 0.000 0.000 0.745 266 L CB -0.964 41.160 42.059 0.109 0.000 0.894 266 L HN 0.191 nan 8.230 nan 0.000 0.432 267 E N -0.138 120.105 120.200 0.071 0.000 2.085 267 E HA -0.270 4.075 4.350 -0.009 0.000 0.194 267 E C 2.470 179.080 176.600 0.017 0.000 0.994 267 E CA 1.572 58.009 56.400 0.061 0.000 0.801 267 E CB -0.320 29.397 29.700 0.028 0.000 0.743 267 E HN 0.457 nan 8.360 nan 0.000 0.453 268 R N -0.185 120.307 120.500 -0.013 0.000 2.083 268 R HA -0.133 4.201 4.340 -0.009 0.000 0.237 268 R C 2.416 178.716 176.300 0.001 0.000 1.137 268 R CA 1.657 57.749 56.100 -0.012 0.000 0.951 268 R CB -0.399 29.886 30.300 -0.026 0.000 0.851 268 R HN 0.284 nan 8.270 nan 0.000 0.434 269 L N 0.393 121.616 121.223 -0.000 0.000 2.093 269 L HA -0.168 4.166 4.340 -0.009 0.000 0.208 269 L C 2.425 179.306 176.870 0.019 0.000 1.085 269 L CA 1.105 55.952 54.840 0.013 0.000 0.755 269 L CB -0.293 41.771 42.059 0.008 0.000 0.904 269 L HN 0.253 nan 8.230 nan 0.000 0.435 270 I N -1.023 119.569 120.570 0.037 0.000 2.208 270 I HA -0.310 3.855 4.170 -0.009 0.000 0.245 270 I C 2.642 178.765 176.117 0.011 0.000 1.097 270 I CA 1.143 62.468 61.300 0.042 0.000 1.363 270 I CB -0.299 37.753 38.000 0.086 0.000 1.051 270 I HN 0.153 nan 8.210 nan 0.000 0.413 271 S N 0.086 115.789 115.700 0.005 0.000 2.368 271 S HA -0.167 4.297 4.470 -0.009 0.000 0.225 271 S C 1.955 176.543 174.600 -0.020 0.000 1.030 271 S CA 1.182 59.377 58.200 -0.009 0.000 0.999 271 S CB -0.184 63.012 63.200 -0.007 0.000 0.844 271 S HN 0.395 nan 8.310 nan 0.000 0.459 272 E N 1.287 121.477 120.200 -0.018 0.000 2.077 272 E HA -0.139 4.205 4.350 -0.009 0.000 0.193 272 E C 2.207 178.750 176.600 -0.095 0.000 0.989 272 E CA 0.929 57.304 56.400 -0.041 0.000 0.800 272 E CB -0.361 29.333 29.700 -0.010 0.000 0.746 272 E HN 0.613 nan 8.360 nan 0.000 0.452 273 Q N 0.409 120.169 119.800 -0.067 0.000 2.124 273 Q HA -0.162 4.172 4.340 -0.009 0.000 0.202 273 Q C 2.061 178.016 176.000 -0.076 0.000 0.977 273 Q CA 1.181 56.937 55.803 -0.078 0.000 0.850 273 Q CB -0.085 28.636 28.738 -0.029 0.000 0.901 273 Q HN 0.362 nan 8.270 nan 0.000 0.429 274 E N 0.640 120.809 120.200 -0.051 0.000 2.110 274 E HA -0.170 4.174 4.350 -0.009 0.000 0.193 274 E C 1.853 178.419 176.600 -0.056 0.000 0.988 274 E CA 0.917 57.290 56.400 -0.046 0.000 0.804 274 E CB 0.115 29.796 29.700 -0.031 0.000 0.745 274 E HN 0.231 nan 8.360 nan 0.000 0.458 275 K N 0.233 120.596 120.400 -0.062 0.000 2.057 275 K HA -0.099 4.215 4.320 -0.009 0.000 0.206 275 K C 2.130 178.679 176.600 -0.085 0.000 1.050 275 K CA 1.084 57.334 56.287 -0.062 0.000 0.935 275 K CB -0.027 32.443 32.500 -0.050 0.000 0.715 275 K HN -0.017 nan 8.250 nan 0.000 0.439 276 V N 1.438 121.268 119.914 -0.141 0.000 2.427 276 V HA -0.218 3.896 4.120 -0.009 0.000 0.248 276 V C 2.322 178.346 176.094 -0.118 0.000 1.051 276 V CA 1.838 64.036 62.300 -0.170 0.000 1.048 276 V CB -0.629 31.008 31.823 -0.309 0.000 0.666 276 V HN 0.342 nan 8.190 nan 0.000 0.456 277 A N 0.766 123.523 122.820 -0.106 0.000 1.917 277 A HA -0.175 4.139 4.320 -0.009 0.000 0.219 277 A C 2.399 179.938 177.584 -0.074 0.000 1.182 277 A CA 2.123 54.104 52.037 -0.093 0.000 0.633 277 A CB -1.172 17.782 19.000 -0.076 0.000 0.819 277 A HN 0.543 nan 8.150 nan 0.000 0.448 278 G N -1.294 107.470 108.800 -0.060 0.000 2.443 278 G HA2 -0.138 3.816 3.960 -0.009 0.000 0.219 278 G HA3 -0.138 3.816 3.960 -0.009 0.000 0.219 278 G C 1.523 176.399 174.900 -0.041 0.000 1.131 278 G CA 0.840 45.913 45.100 -0.045 0.000 0.775 278 G HN 0.661 nan 8.290 nan 0.000 0.547 279 Q N -0.529 119.244 119.800 -0.044 0.000 2.297 279 Q HA 0.154 4.488 4.340 -0.009 0.000 0.204 279 Q C 2.286 178.263 176.000 -0.039 0.000 0.962 279 Q CA 0.433 56.218 55.803 -0.030 0.000 0.879 279 Q CB 0.028 28.756 28.738 -0.017 0.000 0.947 279 Q HN 0.535 nan 8.270 nan 0.000 0.462 280 I N -0.221 120.312 120.570 -0.062 0.000 2.429 280 I HA -0.061 4.103 4.170 -0.009 0.000 0.247 280 I C 0.786 176.865 176.117 -0.064 0.000 1.099 280 I CA 0.738 61.991 61.300 -0.077 0.000 1.422 280 I CB 0.462 38.388 38.000 -0.125 0.000 1.112 280 I HN -0.102 nan 8.210 nan 0.000 0.430 281 K N 1.123 121.488 120.400 -0.059 0.000 2.553 281 K HA 0.358 4.672 4.320 -0.009 0.000 0.250 281 K C -2.774 173.803 176.600 -0.039 0.000 0.953 281 K CA -1.773 54.486 56.287 -0.045 0.000 0.800 281 K CB 2.112 34.584 32.500 -0.048 0.000 1.243 281 K HN -0.311 nan 8.250 nan 0.000 0.435 282 P HA 0.032 nan 4.420 nan 0.000 0.262 282 P C 0.424 177.709 177.300 -0.026 0.000 1.182 282 P CA 1.284 64.368 63.100 -0.026 0.000 0.761 282 P CB 0.752 32.440 31.700 -0.020 0.000 0.795 283 G N 2.016 110.800 108.800 -0.027 0.000 2.184 283 G HA2 -0.252 3.702 3.960 -0.009 0.000 0.264 283 G HA3 -0.252 3.702 3.960 -0.009 0.000 0.264 283 G C 0.498 175.380 174.900 -0.029 0.000 0.975 283 G CA 0.087 45.172 45.100 -0.025 0.000 0.642 283 G HN 0.861 nan 8.290 nan 0.000 0.536 284 A N 0.494 123.293 122.820 -0.035 0.000 2.462 284 A HA 0.658 4.972 4.320 -0.009 0.000 0.243 284 A C 1.151 178.712 177.584 -0.039 0.000 1.076 284 A CA 1.019 53.032 52.037 -0.039 0.000 0.773 284 A CB 0.270 19.239 19.000 -0.051 0.000 1.010 284 A HN 2.031 nan 8.150 nan 0.000 0.493 285 S N 1.803 117.482 115.700 -0.034 0.000 2.589 285 S HA 0.264 4.728 4.470 -0.009 0.000 0.265 285 S C 1.126 175.703 174.600 -0.039 0.000 1.342 285 S CA 0.025 58.207 58.200 -0.031 0.000 1.005 285 S CB 0.113 63.300 63.200 -0.021 0.000 0.909 285 S HN 0.504 nan 8.310 nan 0.000 0.555 286 I N 0.611 121.161 120.570 -0.033 0.000 2.208 286 I HA -0.178 3.986 4.170 -0.009 0.000 0.245 286 I C 2.869 178.964 176.117 -0.037 0.000 1.097 286 I CA 1.821 63.098 61.300 -0.038 0.000 1.363 286 I CB -0.451 37.539 38.000 -0.017 0.000 1.051 286 I HN 0.837 nan 8.210 nan 0.000 0.413 287 E N 0.901 121.089 120.200 -0.019 0.000 2.072 287 E HA -0.235 4.110 4.350 -0.009 0.000 0.191 287 E C 2.053 178.637 176.600 -0.027 0.000 0.985 287 E CA 1.200 57.593 56.400 -0.012 0.000 0.801 287 E CB 0.104 29.804 29.700 -0.000 0.000 0.750 287 E HN 0.500 nan 8.360 nan 0.000 0.452 288 E N 0.170 120.349 120.200 -0.034 0.000 2.051 288 E HA -0.197 4.147 4.350 -0.009 0.000 0.192 288 E C 2.006 178.566 176.600 -0.068 0.000 0.991 288 E CA 1.038 57.413 56.400 -0.042 0.000 0.799 288 E CB -0.138 29.539 29.700 -0.037 0.000 0.748 288 E HN 0.284 nan 8.360 nan 0.000 0.449 289 A N 1.497 124.264 122.820 -0.089 0.000 1.908 289 A HA -0.241 4.073 4.320 -0.009 0.000 0.218 289 A C 1.941 179.401 177.584 -0.207 0.000 1.181 289 A CA 1.552 53.505 52.037 -0.140 0.000 0.627 289 A CB -0.312 18.601 19.000 -0.146 0.000 0.818 289 A HN 0.050 nan 8.150 nan 0.000 0.445 290 K N -0.378 119.917 120.400 -0.175 0.000 2.148 290 K HA -0.101 4.213 4.320 -0.009 0.000 0.204 290 K C 2.412 178.955 176.600 -0.095 0.000 1.050 290 K CA 1.339 57.512 56.287 -0.189 0.000 0.942 290 K CB -0.163 32.320 32.500 -0.029 0.000 0.724 290 K HN 0.518 nan 8.250 nan 0.000 0.446 291 S N 1.064 116.732 115.700 -0.054 0.000 2.406 291 S HA -0.064 4.400 4.470 -0.009 0.000 0.228 291 S C 1.939 176.511 174.600 -0.046 0.000 1.020 291 S CA 0.590 58.777 58.200 -0.021 0.000 0.965 291 S CB -0.152 63.040 63.200 -0.013 0.000 0.798 291 S HN 0.179 nan 8.310 nan 0.000 0.488 292 I N 1.297 121.814 120.570 -0.087 0.000 2.179 292 I HA -0.192 3.973 4.170 -0.009 0.000 0.242 292 I C 2.331 178.371 176.117 -0.128 0.000 1.088 292 I CA 1.346 62.589 61.300 -0.096 0.000 1.357 292 I CB -0.549 37.386 38.000 -0.109 0.000 1.051 292 I HN 0.348 nan 8.210 nan 0.000 0.409 293 L N 0.478 121.550 121.223 -0.253 0.000 2.017 293 L HA -0.230 4.104 4.340 -0.009 0.000 0.208 293 L C 2.117 178.939 176.870 -0.081 0.000 1.073 293 L CA 1.353 55.951 54.840 -0.403 0.000 0.745 293 L CB -0.782 40.560 42.059 -1.195 0.000 0.894 293 L HN 0.319 nan 8.230 nan 0.000 0.432 294 N N -0.124 118.621 118.700 0.074 0.000 2.512 294 N HA -0.104 4.630 4.740 -0.009 0.000 0.183 294 N C 1.103 176.678 175.510 0.108 0.000 1.073 294 N CA 0.766 53.954 53.050 0.231 0.000 0.911 294 N CB -0.150 38.474 38.487 0.228 0.000 0.964 294 N HN 0.408 nan 8.380 nan 0.000 0.447 295 N N 0.220 118.946 118.700 0.044 0.000 2.171 295 N HA -0.034 4.701 4.740 -0.009 0.000 0.212 295 N C -0.568 174.948 175.510 0.010 0.000 1.184 295 N CA -0.070 52.993 53.050 0.021 0.000 0.888 295 N CB 0.765 39.256 38.487 0.007 0.000 1.038 295 N HN 0.122 nan 8.380 nan 0.000 0.517 296 D N 1.714 122.119 120.400 0.008 0.000 2.317 296 D HA 0.168 4.802 4.640 -0.009 0.000 0.252 296 D C -1.566 174.744 176.300 0.016 0.000 1.174 296 D CA -1.935 52.067 54.000 0.002 0.000 0.866 296 D CB 1.809 42.601 40.800 -0.013 0.000 1.127 296 D HN -0.053 nan 8.370 nan 0.000 0.467 297 P HA -0.153 nan 4.420 nan 0.000 0.216 297 P C 0.877 178.181 177.300 0.007 0.000 1.153 297 P CA 1.576 64.678 63.100 0.004 0.000 0.858 297 P CB 0.126 31.826 31.700 -0.000 0.000 0.789 298 A N -0.530 122.298 122.820 0.013 0.000 2.178 298 A HA -0.134 4.181 4.320 -0.009 0.000 0.218 298 A C 1.878 179.477 177.584 0.024 0.000 1.157 298 A CA 1.073 53.120 52.037 0.018 0.000 0.689 298 A CB -0.763 18.251 19.000 0.023 0.000 0.787 298 A HN 0.174 nan 8.150 nan 0.000 0.465 299 R N -0.866 119.656 120.500 0.037 0.000 2.432 299 R HA 0.178 4.512 4.340 -0.009 0.000 0.260 299 R C -0.374 175.936 176.300 0.017 0.000 0.935 299 R CA 0.013 56.151 56.100 0.063 0.000 1.080 299 R CB 0.317 30.714 30.300 0.162 0.000 1.155 299 R HN 0.547 nan 8.270 nan 0.000 0.531 300 Q N 0.748 120.541 119.800 -0.011 0.000 2.312 300 Q HA 0.506 4.840 4.340 -0.009 0.000 0.263 300 Q C -0.902 175.062 176.000 -0.061 0.000 0.995 300 Q CA -0.378 55.400 55.803 -0.041 0.000 0.853 300 Q CB 2.784 31.504 28.738 -0.030 0.000 1.300 300 Q HN 0.067 nan 8.270 nan 0.000 0.448 301 I N 1.639 122.166 120.570 -0.070 0.000 2.433 301 I HA 0.426 4.590 4.170 -0.009 0.000 0.292 301 I C -0.181 175.949 176.117 0.022 0.000 1.001 301 I CA -0.730 60.542 61.300 -0.047 0.000 1.119 301 I CB 1.653 39.578 38.000 -0.126 0.000 1.289 301 I HN 0.501 nan 8.210 nan 0.000 0.438 302 K N 4.793 125.197 120.400 0.006 0.000 2.267 302 K HA 0.717 5.031 4.320 -0.009 0.000 0.282 302 K C 0.230 176.857 176.600 0.046 0.000 1.078 302 K CA 0.099 56.386 56.287 -0.001 0.000 0.903 302 K CB 0.715 33.204 32.500 -0.019 0.000 1.111 302 K HN 1.170 nan 8.250 nan 0.000 0.475 303 G N 0.812 109.676 108.800 0.106 0.000 2.690 303 G HA2 -0.101 3.854 3.960 -0.009 0.000 0.686 303 G HA3 -0.101 3.854 3.960 -0.009 0.000 0.686 303 G C 0.844 175.847 174.900 0.171 0.000 1.277 303 G CA 0.658 45.843 45.100 0.142 0.000 0.799 303 G HN 1.714 nan 8.290 nan 0.000 0.613 304 T N -2.461 112.150 114.554 0.096 0.000 3.043 304 T HA 0.064 4.408 4.350 -0.009 0.000 0.263 304 T C 1.561 176.186 174.700 -0.126 0.000 1.094 304 T CA 1.865 63.904 62.100 -0.102 0.000 1.127 304 T CB 0.006 68.835 68.868 -0.065 0.000 0.905 304 T HN 0.433 nan 8.240 nan 0.000 0.490 305 D N 2.202 122.571 120.400 -0.052 0.000 2.104 305 D HA 0.028 4.662 4.640 -0.009 0.000 0.194 305 D C 2.418 178.685 176.300 -0.055 0.000 0.994 305 D CA 1.600 55.572 54.000 -0.048 0.000 0.830 305 D CB -0.606 40.181 40.800 -0.021 0.000 0.959 305 D HN 0.554 nan 8.370 nan 0.000 0.452 306 A N 0.333 123.127 122.820 -0.043 0.000 1.930 306 A HA -0.105 4.209 4.320 -0.009 0.000 0.217 306 A C 2.113 179.665 177.584 -0.053 0.000 1.175 306 A CA 0.805 52.827 52.037 -0.027 0.000 0.627 306 A CB -0.632 18.363 19.000 -0.009 0.000 0.815 306 A HN 0.240 nan 8.150 nan 0.000 0.443 307 L N -0.007 121.103 121.223 -0.189 0.000 2.012 307 L HA -0.168 4.167 4.340 -0.009 0.000 0.210 307 L C 2.224 178.997 176.870 -0.163 0.000 1.073 307 L CA 2.327 56.948 54.840 -0.364 0.000 0.748 307 L CB -0.596 40.873 42.059 -0.984 0.000 0.891 307 L HN 0.349 nan 8.230 nan 0.000 0.431 308 K N -0.886 119.408 120.400 -0.176 0.000 2.063 308 K HA -0.153 4.162 4.320 -0.009 0.000 0.208 308 K C 2.059 178.625 176.600 -0.056 0.000 1.048 308 K CA 1.477 57.696 56.287 -0.113 0.000 0.928 308 K CB -0.397 32.034 32.500 -0.114 0.000 0.713 308 K HN 0.500 nan 8.250 nan 0.000 0.442 309 A N 0.911 123.716 122.820 -0.025 0.000 1.930 309 A HA -0.148 4.166 4.320 -0.009 0.000 0.217 309 A C 1.029 178.632 177.584 0.031 0.000 1.175 309 A CA 0.654 52.688 52.037 -0.005 0.000 0.627 309 A CB -0.634 18.372 19.000 0.009 0.000 0.815 309 A HN 0.494 nan 8.150 nan 0.000 0.443 313 E N 0.877 120.982 120.200 -0.159 0.000 2.072 313 E HA -0.102 4.242 4.350 -0.009 0.000 0.191 313 E C 1.691 178.207 176.600 -0.141 0.000 0.985 313 E CA 1.178 57.508 56.400 -0.117 0.000 0.801 313 E CB -0.085 29.568 29.700 -0.079 0.000 0.750 313 E HN 0.515 nan 8.360 nan 0.000 0.452 314 L N 0.589 121.644 121.223 -0.280 0.000 1.989 314 L HA -0.215 4.119 4.340 -0.009 0.000 0.211 314 L C 2.701 179.499 176.870 -0.121 0.000 1.071 314 L CA 1.569 56.259 54.840 -0.251 0.000 0.749 314 L CB -0.352 41.365 42.059 -0.570 0.000 0.890 314 L HN 0.109 nan 8.230 nan 0.000 0.431 315 S N -0.449 115.145 115.700 -0.176 0.000 2.356 315 S HA -0.195 4.269 4.470 -0.009 0.000 0.223 315 S C 1.509 176.071 174.600 -0.063 0.000 1.032 315 S CA 1.466 59.602 58.200 -0.107 0.000 1.005 315 S CB -0.329 62.786 63.200 -0.141 0.000 0.867 315 S HN 0.452 nan 8.310 nan 0.000 0.449 316 D N 0.778 121.138 120.400 -0.068 0.000 2.144 316 D HA -0.089 4.545 4.640 -0.009 0.000 0.199 316 D C 2.031 178.327 176.300 -0.006 0.000 0.984 316 D CA 0.844 54.822 54.000 -0.036 0.000 0.834 316 D CB -0.252 40.525 40.800 -0.038 0.000 0.955 316 D HN 0.308 nan 8.370 nan 0.000 0.465 317 R N 0.720 121.223 120.500 0.006 0.000 2.066 317 R HA -0.063 4.271 4.340 -0.009 0.000 0.232 317 R C 2.154 178.492 176.300 0.063 0.000 1.131 317 R CA 1.430 57.563 56.100 0.055 0.000 0.955 317 R CB -0.176 30.179 30.300 0.091 0.000 0.851 317 R HN 0.080 nan 8.270 nan 0.000 0.432 318 A N 0.297 123.122 122.820 0.009 0.000 1.883 318 A HA -0.149 4.166 4.320 -0.009 0.000 0.217 318 A C 2.278 179.837 177.584 -0.043 0.000 1.186 318 A CA 1.845 53.820 52.037 -0.104 0.000 0.624 318 A CB -0.753 18.159 19.000 -0.147 0.000 0.822 318 A HN 0.244 nan 8.150 nan 0.000 0.444 319 V N 0.814 120.718 119.914 -0.017 0.000 2.261 319 V HA -0.254 3.860 4.120 -0.009 0.000 0.246 319 V C 3.061 179.172 176.094 0.028 0.000 1.047 319 V CA 2.536 64.836 62.300 -0.000 0.000 1.015 319 V CB -0.874 30.953 31.823 0.006 0.000 0.642 319 V HN 0.843 nan 8.190 nan 0.000 0.446 320 S N -0.190 115.529 115.700 0.033 0.000 2.402 320 S HA -0.209 4.256 4.470 -0.009 0.000 0.229 320 S C 1.736 176.375 174.600 0.065 0.000 1.021 320 S CA 1.633 59.858 58.200 0.042 0.000 0.974 320 S CB -0.427 62.794 63.200 0.035 0.000 0.800 320 S HN 0.744 nan 8.310 nan 0.000 0.484 321 E N 0.903 121.162 120.200 0.098 0.000 2.230 321 E HA 0.166 4.510 4.350 -0.009 0.000 0.192 321 E C 1.937 178.637 176.600 0.167 0.000 0.987 321 E CA 0.655 57.140 56.400 0.142 0.000 0.841 321 E CB -0.164 29.673 29.700 0.228 0.000 0.783 321 E HN 0.517 nan 8.360 nan 0.000 0.481 322 L N 0.788 122.114 121.223 0.171 0.000 2.202 322 L HA 0.135 4.469 4.340 -0.009 0.000 0.205 322 L C 1.246 178.241 176.870 0.207 0.000 1.083 322 L CA -0.273 54.724 54.840 0.261 0.000 0.790 322 L CB -0.221 42.009 42.059 0.285 0.000 0.942 322 L HN -0.051 nan 8.230 nan 0.000 0.452 323 A N 0.832 123.728 122.820 0.127 0.000 2.566 323 A HA -0.086 4.228 4.320 -0.009 0.000 0.245 323 A C 0.793 178.411 177.584 0.057 0.000 1.056 323 A CA 0.669 52.759 52.037 0.088 0.000 0.757 323 A CB -0.313 18.714 19.000 0.044 0.000 0.979 323 A HN 0.573 nan 8.150 nan 0.000 0.508 324 D N 0.504 120.935 120.400 0.052 0.000 3.059 324 D HA -0.170 4.464 4.640 -0.009 0.000 0.220 324 D C 0.450 176.731 176.300 -0.032 0.000 1.169 324 D CA 1.733 55.739 54.000 0.011 0.000 0.902 324 D CB -1.122 39.678 40.800 -0.001 0.000 1.116 324 D HN 0.304 nan 8.370 nan 0.000 0.417 325 V N -1.084 118.797 119.914 -0.055 0.000 3.001 325 V HA 0.135 4.249 4.120 -0.009 0.000 0.228 325 V C 1.758 177.645 176.094 -0.345 0.000 1.204 325 V CA 0.844 63.002 62.300 -0.237 0.000 1.247 325 V CB -0.088 31.554 31.823 -0.301 0.000 1.093 325 V HN 0.241 nan 8.190 nan 0.000 0.504 326 H N -1.742 117.384 119.070 0.093 0.000 2.750 326 H HA 0.412 4.962 4.556 -0.009 0.000 0.263 326 H C -0.432 174.756 175.328 -0.233 0.000 0.964 326 H CA 0.228 56.273 56.048 -0.005 0.000 1.205 326 H CB 0.998 30.810 29.762 0.082 0.000 1.454 326 H HN 0.331 nan 8.280 nan 0.000 0.503 327 F N 0.662 120.740 119.950 0.213 0.000 2.613 327 F HA 0.245 4.766 4.527 -0.010 0.000 0.310 327 F C -0.453 175.371 175.800 0.040 0.000 1.085 327 F CA -1.193 56.888 58.000 0.134 0.000 0.945 327 F CB 1.782 40.825 39.000 0.073 0.000 1.298 327 F HN -0.256 nan 8.300 nan 0.000 0.455 328 D N 3.155 123.673 120.400 0.197 0.000 2.316 328 D HA 0.393 5.027 4.640 -0.009 0.000 0.245 328 D C -0.315 175.993 176.300 0.014 0.000 1.171 328 D CA 0.383 54.424 54.000 0.069 0.000 0.856 328 D CB 1.080 41.894 40.800 0.023 0.000 1.090 328 D HN 0.314 nan 8.370 nan 0.000 0.476 329 I N 4.369 124.922 120.570 -0.029 0.000 2.464 329 I HA 0.186 4.351 4.170 -0.009 0.000 0.277 329 I C -2.218 173.803 176.117 -0.161 0.000 1.040 329 I CA -1.992 59.246 61.300 -0.103 0.000 1.153 329 I CB 1.510 39.481 38.000 -0.048 0.000 1.274 329 I HN -0.062 nan 8.210 nan 0.000 0.469 330 P HA 0.019 nan 4.420 nan 0.000 0.266 330 P C 0.386 177.556 177.300 -0.216 0.000 1.193 330 P CA -0.001 62.900 63.100 -0.332 0.000 0.770 330 P CB 0.849 32.108 31.700 -0.736 0.000 0.836 331 D N 0.141 120.464 120.400 -0.128 0.000 2.149 331 D HA -0.120 4.515 4.640 -0.009 0.000 0.194 331 D C 1.056 177.321 176.300 -0.058 0.000 1.001 331 D CA 1.260 55.219 54.000 -0.068 0.000 0.849 331 D CB -0.512 40.267 40.800 -0.035 0.000 0.939 331 D HN 0.280 nan 8.370 nan 0.000 0.449 335 T N 2.890 117.498 114.554 0.090 0.000 2.737 335 T HA 0.309 4.654 4.350 -0.009 0.000 0.296 335 T C -0.710 173.963 174.700 -0.046 0.000 0.922 335 T CA 0.002 62.119 62.100 0.028 0.000 1.079 335 T CB 0.661 69.554 68.868 0.041 0.000 0.892 335 T HN 0.013 nan 8.240 nan 0.000 0.514 336 L N 4.534 125.668 121.223 -0.149 0.000 2.353 336 L HA 0.412 4.746 4.340 -0.009 0.000 0.270 336 L C -0.260 176.485 176.870 -0.208 0.000 1.003 336 L CA -0.431 54.236 54.840 -0.289 0.000 0.862 336 L CB 0.909 42.736 42.059 -0.388 0.000 1.221 336 L HN 0.527 nan 8.230 nan 0.000 0.430 337 E N 4.305 124.376 120.200 -0.215 0.000 2.229 337 E HA 0.303 4.648 4.350 -0.009 0.000 0.283 337 E C -0.554 175.852 176.600 -0.322 0.000 1.030 337 E CA -0.490 55.771 56.400 -0.233 0.000 0.836 337 E CB 1.078 30.639 29.700 -0.232 0.000 1.068 337 E HN 0.597 nan 8.360 nan 0.000 0.401 341 A N 7.510 130.568 122.820 0.398 0.000 2.425 341 A HA 0.650 4.965 4.320 -0.009 0.000 0.249 341 A C -1.272 176.439 177.584 0.211 0.000 1.084 341 A CA -0.664 51.574 52.037 0.336 0.000 0.781 341 A CB -0.170 19.009 19.000 0.299 0.000 1.019 341 A HN 0.634 nan 8.150 nan 0.000 0.490 342 P HA -0.026 nan 4.420 nan 0.000 0.217 342 P C 0.538 177.878 177.300 0.067 0.000 1.150 342 P CA 1.299 64.443 63.100 0.073 0.000 0.832 342 P CB -0.006 31.697 31.700 0.004 0.000 0.787 343 T N -0.589 113.998 114.554 0.055 0.000 2.940 343 T HA 0.563 4.908 4.350 -0.009 0.000 0.288 343 T C -0.125 174.621 174.700 0.076 0.000 1.033 343 T CA -0.153 61.972 62.100 0.041 0.000 1.033 343 T CB 1.430 70.291 68.868 -0.011 0.000 1.079 343 T HN 0.058 nan 8.240 nan 0.000 0.496 348 I N 1.568 122.007 120.570 -0.218 0.000 2.359 348 I HA 0.507 4.672 4.170 -0.009 0.000 0.294 348 I C -0.455 175.751 176.117 0.148 0.000 0.987 348 I CA -0.769 60.468 61.300 -0.105 0.000 1.225 348 I CB 1.284 39.203 38.000 -0.136 0.000 1.366 348 I HN 0.636 nan 8.210 nan 0.000 0.466 349 Y N 5.381 125.790 120.300 0.182 0.000 2.605 349 Y HA 0.628 5.172 4.550 -0.010 0.000 0.343 349 Y C -1.496 174.651 175.900 0.413 0.000 1.036 349 Y CA -1.513 56.746 58.100 0.265 0.000 1.065 349 Y CB 0.948 39.506 38.460 0.164 0.000 1.288 349 Y HN 0.447 nan 8.280 nan 0.000 0.481 350 Y N 1.682 122.263 120.300 0.468 0.000 2.409 350 Y HA 0.650 5.195 4.550 -0.009 0.000 0.339 350 Y C -0.699 175.445 175.900 0.406 0.000 1.033 350 Y CA -0.804 57.520 58.100 0.375 0.000 1.094 350 Y CB 1.969 40.647 38.460 0.364 0.000 1.210 350 Y HN 0.871 nan 8.280 nan 0.000 0.456 351 T N 2.637 116.911 114.554 -0.467 0.000 2.809 351 T HA 0.673 5.017 4.350 -0.009 0.000 0.284 351 T C 0.237 174.430 174.700 -0.844 0.000 0.992 351 T CA -0.485 61.383 62.100 -0.388 0.000 0.957 351 T CB 0.877 69.807 68.868 0.103 0.000 0.942 351 T HN 1.010 nan 8.240 nan 0.000 0.439 352 G N 3.961 112.424 108.800 -0.561 0.000 2.636 352 G HA2 0.530 4.485 3.960 -0.009 0.000 0.246 352 G HA3 0.530 4.485 3.960 -0.009 0.000 0.246 352 G C -2.307 172.517 174.900 -0.127 0.000 1.216 352 G CA -1.311 43.668 45.100 -0.201 0.000 0.854 352 G HN 0.705 nan 8.290 nan 0.000 0.572 353 P HA 0.119 nan 4.420 nan 0.000 0.270 353 P C 0.508 177.640 177.300 -0.279 0.000 1.223 353 P CA -0.284 62.679 63.100 -0.228 0.000 0.785 353 P CB 0.774 32.149 31.700 -0.541 0.000 0.923 354 S N 0.269 115.830 115.700 -0.231 0.000 2.584 354 S HA 0.024 4.488 4.470 -0.009 0.000 0.270 354 S C 0.903 175.341 174.600 -0.270 0.000 1.346 354 S CA -0.141 57.951 58.200 -0.179 0.000 1.018 354 S CB -0.039 63.108 63.200 -0.088 0.000 0.899 354 S HN 0.345 nan 8.310 nan 0.000 0.542 355 D N 1.253 121.568 120.400 -0.143 0.000 2.182 355 D HA -0.102 4.533 4.640 -0.009 0.000 0.201 355 D C 1.241 177.551 176.300 0.016 0.000 0.986 355 D CA 1.781 55.732 54.000 -0.083 0.000 0.847 355 D CB -0.402 40.380 40.800 -0.029 0.000 0.942 355 D HN 0.896 nan 8.370 nan 0.000 0.467 356 D N -1.429 118.994 120.400 0.038 0.000 2.339 356 D HA -0.053 4.581 4.640 -0.009 0.000 0.217 356 D C 0.528 176.997 176.300 0.282 0.000 1.050 356 D CA -0.299 53.789 54.000 0.147 0.000 0.856 356 D CB -0.552 40.298 40.800 0.083 0.000 0.922 356 D HN 0.133 nan 8.370 nan 0.000 0.518 357 F N -0.058 119.933 119.950 0.068 0.000 2.914 357 F HA -0.332 4.189 4.527 -0.009 0.000 0.304 357 F C 1.866 177.705 175.800 0.065 0.000 0.712 357 F CA 0.752 58.804 58.000 0.086 0.000 1.211 357 F CB -2.119 36.955 39.000 0.123 0.000 1.515 357 F HN 0.160 nan 8.300 nan 0.000 0.350 358 S N -0.156 115.631 115.700 0.144 0.000 2.423 358 S HA -0.134 4.331 4.470 -0.009 0.000 0.231 358 S C 1.025 175.664 174.600 0.065 0.000 1.014 358 S CA 0.963 59.220 58.200 0.095 0.000 0.965 358 S CB -0.011 63.226 63.200 0.063 0.000 0.785 358 S HN 0.505 nan 8.310 nan 0.000 0.495 359 R N 2.877 123.398 120.500 0.034 0.000 2.265 359 R HA 0.427 4.761 4.340 -0.009 0.000 0.328 359 R C -2.920 173.389 176.300 0.014 0.000 0.969 359 R CA -2.380 53.731 56.100 0.018 0.000 0.832 359 R CB 1.222 31.522 30.300 0.000 0.000 1.139 359 R HN 0.196 nan 8.270 nan 0.000 0.457 360 P HA 0.124 nan 4.420 nan 0.000 0.274 360 P C -0.150 177.165 177.300 0.025 0.000 1.246 360 P CA -0.224 62.924 63.100 0.079 0.000 0.795 360 P CB 0.677 32.413 31.700 0.060 0.000 1.006 361 G N 1.529 110.390 108.800 0.102 0.000 2.559 361 G HA2 0.234 4.188 3.960 -0.009 0.000 0.235 361 G HA3 0.234 4.188 3.960 -0.009 0.000 0.235 361 G C -0.031 174.795 174.900 -0.124 0.000 1.266 361 G CA -0.359 44.765 45.100 0.040 0.000 0.847 361 G HN 0.476 nan 8.290 nan 0.000 0.583 365 W N 4.009 125.290 121.300 -0.032 0.000 2.335 365 W HA 0.640 5.295 4.660 -0.009 0.000 0.307 365 W C -0.636 175.904 176.519 0.035 0.000 1.117 365 W CA -0.693 56.637 57.345 -0.024 0.000 1.228 365 W CB 2.018 31.424 29.460 -0.091 0.000 1.240 365 W HN 0.216 nan 8.180 nan 0.000 0.468 366 S N 5.341 121.093 115.700 0.086 0.000 2.430 366 S HA 0.409 4.874 4.470 -0.009 0.000 0.289 366 S C -0.694 174.098 174.600 0.320 0.000 1.143 366 S CA -0.416 57.908 58.200 0.207 0.000 1.067 366 S CB 0.320 63.602 63.200 0.135 0.000 0.964 366 S HN 0.254 nan 8.310 nan 0.000 0.485 367 V N 8.768 128.935 119.914 0.422 0.000 2.406 367 V HA 0.350 4.464 4.120 -0.009 0.000 0.272 367 V C -1.997 174.262 176.094 0.276 0.000 1.043 367 V CA -1.770 60.811 62.300 0.468 0.000 0.915 367 V CB 0.810 32.883 31.823 0.417 0.000 0.988 367 V HN 0.712 nan 8.190 nan 0.000 0.466 368 P HA 0.241 nan 4.420 nan 0.000 0.272 368 P C -0.103 177.258 177.300 0.102 0.000 1.223 368 P CA -0.175 63.003 63.100 0.129 0.000 0.784 368 P CB 0.493 32.252 31.700 0.097 0.000 0.923 369 A N 2.570 125.431 122.820 0.067 0.000 2.598 369 A HA 0.298 4.613 4.320 -0.009 0.000 0.239 369 A C 1.576 179.181 177.584 0.035 0.000 1.032 369 A CA 0.734 52.800 52.037 0.049 0.000 0.760 369 A CB -1.483 17.536 19.000 0.031 0.000 0.946 369 A HN 0.934 nan 8.150 nan 0.000 0.512 370 G N 1.979 110.797 108.800 0.031 0.000 2.337 370 G HA2 -0.263 3.691 3.960 -0.009 0.000 0.290 370 G HA3 -0.263 3.691 3.960 -0.009 0.000 0.290 370 G C 0.061 174.949 174.900 -0.018 0.000 1.003 370 G CA 1.094 46.199 45.100 0.008 0.000 0.825 370 G HN 0.971 nan 8.290 nan 0.000 0.509 371 E N -1.323 118.867 120.200 -0.016 0.000 2.214 371 E HA 0.538 4.882 4.350 -0.009 0.000 0.274 371 E C 0.549 177.037 176.600 -0.187 0.000 0.977 371 E CA -0.303 56.034 56.400 -0.105 0.000 0.827 371 E CB 1.182 30.833 29.700 -0.083 0.000 1.130 371 E HN 0.168 nan 8.360 nan 0.000 0.394 372 D N 0.121 120.283 120.400 -0.396 0.000 2.292 372 D HA 0.066 4.700 4.640 -0.009 0.000 0.322 372 D C -0.783 175.150 176.300 -0.613 0.000 1.087 372 D CA 0.275 54.055 54.000 -0.366 0.000 0.857 372 D CB 0.901 41.599 40.800 -0.172 0.000 1.445 372 D HN 0.268 nan 8.370 nan 0.000 0.528 373 T N 0.062 114.125 114.554 -0.819 0.000 2.863 373 T HA 0.593 4.937 4.350 -0.009 0.000 0.285 373 T C -1.181 172.938 174.700 -0.967 0.000 1.009 373 T CA -0.373 61.328 62.100 -0.665 0.000 0.989 373 T CB 1.254 69.938 68.868 -0.308 0.000 1.004 373 T HN -0.095 nan 8.240 nan 0.000 0.455 374 F N 0.758 120.620 119.950 -0.147 0.000 2.556 374 F HA 0.498 5.019 4.527 -0.010 0.000 0.314 374 F C 0.523 176.210 175.800 -0.189 0.000 1.106 374 F CA -0.902 56.994 58.000 -0.173 0.000 0.911 374 F CB 2.064 40.833 39.000 -0.386 0.000 1.190 374 F HN 0.308 nan 8.300 nan 0.000 0.448 375 T N 1.243 115.826 114.554 0.048 0.000 2.749 375 T HA 0.240 4.584 4.350 -0.009 0.000 0.287 375 T C 0.688 175.292 174.700 -0.159 0.000 0.970 375 T CA -0.311 61.763 62.100 -0.043 0.000 0.980 375 T CB 1.630 70.490 68.868 -0.012 0.000 0.924 375 T HN 0.724 nan 8.240 nan 0.000 0.456 376 T N 2.700 117.115 114.554 -0.233 0.000 3.031 376 T HA 0.019 4.363 4.350 -0.009 0.000 0.254 376 T C 1.990 176.614 174.700 -0.127 0.000 1.060 376 T CA 0.183 62.031 62.100 -0.420 0.000 1.135 376 T CB -0.033 68.366 68.868 -0.782 0.000 0.896 376 T HN 0.825 nan 8.240 nan 0.000 0.472 377 W N 2.165 123.462 121.300 -0.005 0.000 2.342 377 W HA -0.112 4.542 4.660 -0.010 0.000 0.297 377 W C 1.866 178.438 176.519 0.089 0.000 1.213 377 W CA 1.406 58.792 57.345 0.068 0.000 1.251 377 W CB -1.390 28.100 29.460 0.050 0.000 1.136 377 W HN 0.380 nan 8.180 nan 0.000 0.526 378 S N 0.038 115.283 115.700 -0.757 0.000 2.527 378 S HA -0.058 4.407 4.470 -0.009 0.000 0.222 378 S C 1.315 175.766 174.600 -0.247 0.000 0.985 378 S CA 0.778 58.556 58.200 -0.704 0.000 0.921 378 S CB -0.220 62.249 63.200 -1.219 0.000 0.772 378 S HN 0.128 nan 8.310 nan 0.000 0.529 379 E N 1.012 121.152 120.200 -0.100 0.000 2.511 379 E HA 0.165 4.509 4.350 -0.009 0.000 0.209 379 E C 1.404 178.143 176.600 0.232 0.000 0.986 379 E CA 0.360 56.795 56.400 0.058 0.000 0.974 379 E CB -0.367 29.413 29.700 0.133 0.000 1.030 379 E HN 0.501 nan 8.360 nan 0.000 0.490 380 T N 0.869 115.590 114.554 0.278 0.000 2.665 380 T HA -0.195 4.149 4.350 -0.009 0.000 0.268 380 T C 1.979 176.527 174.700 -0.254 0.000 1.035 380 T CA 2.153 64.304 62.100 0.085 0.000 1.151 380 T CB -0.366 68.613 68.868 0.184 0.000 0.862 380 T HN 0.169 nan 8.240 nan 0.000 0.438 381 T N 1.142 115.676 114.554 -0.034 0.000 2.759 381 T HA -0.144 4.200 4.350 -0.009 0.000 0.269 381 T C 2.044 176.723 174.700 -0.035 0.000 1.042 381 T CA 1.843 63.958 62.100 0.025 0.000 1.140 381 T CB -0.735 68.199 68.868 0.110 0.000 0.864 381 T HN 0.465 nan 8.240 nan 0.000 0.455 382 T N 1.125 115.638 114.554 -0.069 0.000 2.867 382 T HA -0.032 4.312 4.350 -0.009 0.000 0.268 382 T C 1.966 176.629 174.700 -0.063 0.000 1.057 382 T CA 1.044 63.098 62.100 -0.076 0.000 1.136 382 T CB -0.363 68.437 68.868 -0.113 0.000 0.874 382 T HN 0.239 nan 8.240 nan 0.000 0.466 383 V N 0.956 120.761 119.914 -0.182 0.000 2.427 383 V HA -0.097 4.018 4.120 -0.009 0.000 0.248 383 V C 2.099 178.058 176.094 -0.225 0.000 1.051 383 V CA 1.458 63.598 62.300 -0.267 0.000 1.048 383 V CB -0.751 30.777 31.823 -0.492 0.000 0.666 383 V HN 0.387 nan 8.190 nan 0.000 0.456 384 F N -0.008 119.893 119.950 -0.081 0.000 2.163 384 F HA -0.026 4.496 4.527 -0.010 0.000 0.297 384 F C 2.348 178.071 175.800 -0.128 0.000 1.094 384 F CA 1.426 59.346 58.000 -0.133 0.000 1.290 384 F CB -1.356 37.551 39.000 -0.155 0.000 1.017 384 F HN 0.264 nan 8.300 nan 0.000 0.483 385 H N 0.102 119.156 119.070 -0.026 0.000 2.267 385 H HA -0.118 4.433 4.556 -0.010 0.000 0.297 385 H C 2.032 177.193 175.328 -0.279 0.000 1.080 385 H CA 2.217 58.172 56.048 -0.154 0.000 1.278 385 H CB 0.128 29.824 29.762 -0.111 0.000 1.365 385 H HN -0.010 nan 8.280 nan 0.000 0.489 386 E N -0.246 120.004 120.200 0.083 0.000 2.299 386 E HA 0.055 4.399 4.350 -0.009 0.000 0.193 386 E C 1.418 178.024 176.600 0.011 0.000 0.998 386 E CA 0.659 57.123 56.400 0.106 0.000 0.851 386 E CB 0.394 30.247 29.700 0.254 0.000 0.795 386 E HN 0.616 nan 8.360 nan 0.000 0.492 387 G N 0.464 109.248 108.800 -0.026 0.000 3.374 387 G HA2 0.292 4.246 3.960 -0.009 0.000 0.200 387 G HA3 0.292 4.246 3.960 -0.009 0.000 0.200 387 G C -0.214 174.667 174.900 -0.033 0.000 1.801 387 G CA -0.242 44.835 45.100 -0.038 0.000 0.842 387 G HN 0.001 nan 8.290 nan 0.000 0.688 388 V N 2.492 122.403 119.914 -0.005 0.000 2.398 388 V HA 0.401 4.515 4.120 -0.009 0.000 0.286 388 V C -1.669 174.381 176.094 -0.073 0.000 1.026 388 V CA -1.071 61.195 62.300 -0.057 0.000 0.868 388 V CB 2.303 34.097 31.823 -0.048 0.000 0.982 388 V HN 0.561 nan 8.190 nan 0.000 0.443 389 P HA 0.226 nan 4.420 nan 0.000 0.269 389 P C 0.763 178.003 177.300 -0.100 0.000 1.478 389 P CA 0.101 63.006 63.100 -0.325 0.000 1.045 389 P CB 0.844 32.244 31.700 -0.501 0.000 1.512 390 G N 0.803 109.540 108.800 -0.105 0.000 2.913 390 G HA2 -0.120 3.835 3.960 -0.009 0.000 0.145 390 G HA3 -0.120 3.835 3.960 -0.009 0.000 0.145 390 G C 1.106 176.057 174.900 0.085 0.000 1.801 390 G CA 0.256 45.295 45.100 -0.101 0.000 1.033 390 G HN 0.124 nan 8.290 nan 0.000 0.495 391 H N -0.543 118.475 119.070 -0.086 0.000 2.353 391 H HA -0.139 4.411 4.556 -0.010 0.000 0.298 391 H C 2.256 177.333 175.328 -0.417 0.000 1.103 391 H CA 1.944 57.880 56.048 -0.186 0.000 1.293 391 H CB -0.665 28.927 29.762 -0.285 0.000 1.372 391 H HN 0.624 nan 8.280 nan 0.000 0.501 392 H N 0.703 119.437 119.070 -0.560 0.000 2.319 392 H HA -0.061 4.489 4.556 -0.010 0.000 0.299 392 H C 2.401 177.642 175.328 -0.146 0.000 1.092 392 H CA 1.548 57.319 56.048 -0.461 0.000 1.302 392 H CB -0.433 29.187 29.762 -0.237 0.000 1.373 392 H HN 0.188 nan 8.280 nan 0.000 0.497 393 L N -0.031 121.024 121.223 -0.281 0.000 2.093 393 L HA -0.149 4.185 4.340 -0.009 0.000 0.208 393 L C 2.722 179.396 176.870 -0.326 0.000 1.085 393 L CA 1.400 56.020 54.840 -0.366 0.000 0.755 393 L CB -0.507 41.294 42.059 -0.430 0.000 0.904 393 L HN 0.413 nan 8.230 nan 0.000 0.435 394 Q N 0.480 120.084 119.800 -0.325 0.000 2.016 394 Q HA -0.152 4.182 4.340 -0.009 0.000 0.200 394 Q C 2.231 178.165 176.000 -0.109 0.000 0.978 394 Q CA 1.936 57.504 55.803 -0.391 0.000 0.833 394 Q CB -0.166 28.238 28.738 -0.556 0.000 0.895 394 Q HN 0.340 nan 8.270 nan 0.000 0.427 395 V N 1.430 121.349 119.914 0.008 0.000 2.358 395 V HA -0.198 3.917 4.120 -0.009 0.000 0.246 395 V C 2.524 178.689 176.094 0.119 0.000 1.047 395 V CA 1.731 64.113 62.300 0.136 0.000 1.035 395 V CB -1.045 30.964 31.823 0.311 0.000 0.658 395 V HN 0.460 nan 8.190 nan 0.000 0.452 396 A N -0.535 122.325 122.820 0.067 0.000 1.968 396 A HA -0.165 4.149 4.320 -0.009 0.000 0.217 396 A C 2.376 180.084 177.584 0.206 0.000 1.169 396 A CA 2.183 54.298 52.037 0.131 0.000 0.638 396 A CB -0.763 18.215 19.000 -0.037 0.000 0.812 396 A HN 0.491 nan 8.150 nan 0.000 0.446 397 T N 0.330 114.908 114.554 0.039 0.000 2.737 397 T HA 0.001 4.345 4.350 -0.009 0.000 0.265 397 T C 2.281 177.067 174.700 0.144 0.000 1.038 397 T CA 1.487 63.626 62.100 0.064 0.000 1.144 397 T CB -0.470 68.364 68.868 -0.056 0.000 0.866 397 T HN 0.583 nan 8.240 nan 0.000 0.434 398 A N 1.472 124.346 122.820 0.090 0.000 1.892 398 A HA -0.194 4.120 4.320 -0.009 0.000 0.218 398 A C 2.557 180.223 177.584 0.136 0.000 1.188 398 A CA 2.376 54.470 52.037 0.095 0.000 0.631 398 A CB -1.426 17.619 19.000 0.074 0.000 0.822 398 A HN 0.479 nan 8.150 nan 0.000 0.447 399 T N -1.831 112.823 114.554 0.167 0.000 2.746 399 T HA -0.176 4.168 4.350 -0.009 0.000 0.267 399 T C 1.776 176.668 174.700 0.321 0.000 1.039 399 T CA 1.661 63.863 62.100 0.171 0.000 1.142 399 T CB -0.429 68.475 68.868 0.059 0.000 0.866 399 T HN 0.529 nan 8.240 nan 0.000 0.444 400 Y N 2.014 122.513 120.300 0.331 0.000 2.256 400 Y HA -0.105 4.439 4.550 -0.009 0.000 0.288 400 Y C 1.889 177.860 175.900 0.117 0.000 1.155 400 Y CA 1.145 59.403 58.100 0.263 0.000 1.203 400 Y CB 0.064 38.572 38.460 0.081 0.000 0.980 400 Y HN -0.075 nan 8.280 nan 0.000 0.530 401 R N 0.895 121.481 120.500 0.143 0.000 2.391 401 R HA 0.083 4.417 4.340 -0.009 0.000 0.249 401 R C 1.878 178.192 176.300 0.024 0.000 0.957 401 R CA 0.387 56.514 56.100 0.045 0.000 1.093 401 R CB -0.534 29.815 30.300 0.081 0.000 1.156 401 R HN 0.594 nan 8.270 nan 0.000 0.526 402 R N 0.461 120.981 120.500 0.032 0.000 2.152 402 R HA -0.026 4.308 4.340 -0.009 0.000 0.232 402 R C 0.715 177.022 176.300 0.012 0.000 1.117 402 R CA 0.928 57.046 56.100 0.031 0.000 0.981 402 R CB -0.070 30.253 30.300 0.038 0.000 0.870 402 R HN -0.008 nan 8.270 nan 0.000 0.451 403 E N 0.946 121.139 120.200 -0.012 0.000 2.338 403 E HA -0.080 4.264 4.350 -0.009 0.000 0.197 403 E C 1.457 178.055 176.600 -0.003 0.000 1.007 403 E CA 0.583 56.975 56.400 -0.013 0.000 0.849 403 E CB 0.072 29.752 29.700 -0.033 0.000 0.774 403 E HN 0.289 nan 8.360 nan 0.000 0.506 404 L N -0.159 121.065 121.223 0.001 0.000 2.558 404 L HA 0.118 4.452 4.340 -0.009 0.000 0.225 404 L C 0.743 177.629 176.870 0.027 0.000 1.128 404 L CA 0.578 55.424 54.840 0.011 0.000 0.868 404 L CB -0.173 41.893 42.059 0.012 0.000 1.006 404 L HN -0.045 nan 8.230 nan 0.000 0.454 405 L N 0.241 121.484 121.223 0.034 0.000 2.333 405 L HA 0.340 4.674 4.340 -0.009 0.000 0.280 405 L C -0.013 176.896 176.870 0.065 0.000 1.004 405 L CA -0.905 53.967 54.840 0.054 0.000 0.820 405 L CB 1.560 43.650 42.059 0.051 0.000 1.247 405 L HN 0.155 nan 8.230 nan 0.000 0.416 406 N N 1.433 120.188 118.700 0.093 0.000 2.288 406 N HA 0.028 4.763 4.740 -0.009 0.000 0.237 406 N C 0.422 176.014 175.510 0.136 0.000 1.311 406 N CA -0.408 52.708 53.050 0.110 0.000 0.909 406 N CB 0.348 38.911 38.487 0.126 0.000 1.167 406 N HN 0.386 nan 8.380 nan 0.000 0.476 407 N N -1.329 117.458 118.700 0.144 0.000 2.331 407 N HA -0.089 4.646 4.740 -0.009 0.000 0.180 407 N C 1.040 176.664 175.510 0.190 0.000 1.019 407 N CA 0.556 53.684 53.050 0.131 0.000 0.881 407 N CB -0.507 38.041 38.487 0.102 0.000 0.972 407 N HN 0.704 nan 8.380 nan 0.000 0.435 408 W N 2.634 123.983 121.300 0.082 0.000 2.379 408 W HA -0.030 4.624 4.660 -0.010 0.000 0.307 408 W C 2.046 178.621 176.519 0.093 0.000 1.200 408 W CA 1.162 58.573 57.345 0.109 0.000 1.297 408 W CB 0.051 29.588 29.460 0.129 0.000 1.140 408 W HN -0.117 nan 8.180 nan 0.000 0.507 409 R N 0.316 120.981 120.500 0.275 0.000 2.091 409 R HA -0.135 4.200 4.340 -0.009 0.000 0.238 409 R C 2.137 178.409 176.300 -0.046 0.000 1.136 409 R CA 1.800 57.943 56.100 0.072 0.000 0.959 409 R CB -0.932 29.460 30.300 0.153 0.000 0.856 409 R HN 0.356 nan 8.270 nan 0.000 0.437 410 R N -0.087 120.420 120.500 0.012 0.000 2.062 410 R HA -0.006 4.328 4.340 -0.009 0.000 0.229 410 R C 1.247 177.539 176.300 -0.013 0.000 1.128 410 R CA 1.464 57.569 56.100 0.007 0.000 0.960 410 R CB -0.141 30.174 30.300 0.025 0.000 0.855 410 R HN 0.363 nan 8.270 nan 0.000 0.432 411 N N -1.079 117.612 118.700 -0.015 0.000 2.181 411 N HA 0.059 4.794 4.740 -0.009 0.000 0.207 411 N C 0.734 176.298 175.510 0.090 0.000 1.182 411 N CA -0.242 52.822 53.050 0.025 0.000 0.893 411 N CB 1.341 39.841 38.487 0.022 0.000 1.032 411 N HN -0.095 nan 8.380 nan 0.000 0.513 412 V N -0.728 119.120 119.914 -0.110 0.000 3.134 412 V HA 0.138 4.252 4.120 -0.009 0.000 0.222 412 V C 0.761 176.587 176.094 -0.447 0.000 1.247 412 V CA -0.122 62.022 62.300 -0.261 0.000 1.281 412 V CB 0.292 31.845 31.823 -0.450 0.000 1.169 412 V HN 0.204 nan 8.190 nan 0.000 0.512 413 C N 2.280 121.045 119.300 -0.891 0.000 2.648 413 C HA 0.310 4.764 4.460 -0.009 0.000 0.406 413 C C -0.487 174.374 174.990 -0.215 0.000 1.406 413 C CA -0.287 58.262 59.018 -0.781 0.000 1.610 413 C CB -1.845 25.168 27.740 -1.211 0.000 2.451 413 C HN 0.626 nan 8.230 nan 0.000 0.608 414 W N 5.522 126.664 121.300 -0.264 0.000 3.405 414 W HA 0.589 5.244 4.660 -0.010 0.000 0.329 414 W C -1.874 174.602 176.519 -0.073 0.000 1.142 414 W CA -0.655 56.606 57.345 -0.140 0.000 1.235 414 W CB 1.337 30.747 29.460 -0.083 0.000 1.341 414 W HN 0.472 nan 8.180 nan 0.000 0.481 415 V N 5.728 125.142 119.914 -0.833 0.000 2.483 415 V HA 0.172 4.287 4.120 -0.009 0.000 0.297 415 V C 0.818 176.293 176.094 -1.033 0.000 1.027 415 V CA -0.027 61.873 62.300 -0.666 0.000 0.855 415 V CB 1.137 32.770 31.823 -0.316 0.000 0.995 415 V HN 0.745 nan 8.190 nan 0.000 0.424 416 S N 4.838 119.986 115.700 -0.920 0.000 2.372 416 S HA -0.185 4.279 4.470 -0.009 0.000 0.227 416 S C 2.069 176.472 174.600 -0.328 0.000 1.044 416 S CA 2.687 60.506 58.200 -0.636 0.000 1.050 416 S CB -0.410 62.722 63.200 -0.114 0.000 0.901 416 S HN 1.111 nan 8.310 nan 0.000 0.447 417 G N 0.660 109.348 108.800 -0.188 0.000 2.448 417 G HA2 -0.225 3.729 3.960 -0.009 0.000 0.219 417 G HA3 -0.225 3.729 3.960 -0.009 0.000 0.219 417 G C 1.437 176.380 174.900 0.071 0.000 1.127 417 G CA 1.035 46.103 45.100 -0.054 0.000 0.766 417 G HN 0.735 nan 8.290 nan 0.000 0.552 418 H N 1.094 120.121 119.070 -0.071 0.000 2.276 418 H HA -0.053 4.497 4.556 -0.009 0.000 0.301 418 H C 2.696 178.209 175.328 0.309 0.000 1.073 418 H CA 1.946 58.066 56.048 0.121 0.000 1.311 418 H CB -0.556 29.166 29.762 -0.067 0.000 1.379 418 H HN 0.260 nan 8.280 nan 0.000 0.494 419 G N 0.392 109.301 108.800 0.183 0.000 2.408 419 G HA2 -0.127 3.828 3.960 -0.009 0.000 0.215 419 G HA3 -0.127 3.828 3.960 -0.009 0.000 0.215 419 G C 1.609 176.678 174.900 0.282 0.000 1.156 419 G CA 0.179 45.447 45.100 0.281 0.000 0.793 419 G HN 0.368 nan 8.290 nan 0.000 0.535 420 E N 0.923 121.228 120.200 0.176 0.000 2.158 420 E HA -0.026 4.319 4.350 -0.009 0.000 0.191 420 E C 2.719 179.406 176.600 0.145 0.000 0.982 420 E CA 0.867 57.376 56.400 0.181 0.000 0.823 420 E CB -0.623 29.037 29.700 -0.066 0.000 0.766 420 E HN 0.347 nan 8.360 nan 0.000 0.468 421 G N 1.055 109.955 108.800 0.166 0.000 2.408 421 G HA2 -0.242 3.712 3.960 -0.009 0.000 0.217 421 G HA3 -0.242 3.712 3.960 -0.009 0.000 0.217 421 G C 1.355 176.239 174.900 -0.027 0.000 1.150 421 G CA 0.488 45.724 45.100 0.227 0.000 0.776 421 G HN 0.315 nan 8.290 nan 0.000 0.542 422 W N 1.763 122.850 121.300 -0.355 0.000 2.354 422 W HA -0.096 4.559 4.660 -0.009 0.000 0.315 422 W C 2.487 178.755 176.519 -0.419 0.000 1.206 422 W CA 1.967 58.827 57.345 -0.807 0.000 1.290 422 W CB -0.456 28.535 29.460 -0.782 0.000 1.152 422 W HN 0.312 nan 8.180 nan 0.000 0.489 423 A N 0.713 123.269 122.820 -0.440 0.000 1.940 423 A HA -0.213 4.102 4.320 -0.009 0.000 0.219 423 A C 1.953 179.202 177.584 -0.558 0.000 1.176 423 A CA 1.891 53.504 52.037 -0.707 0.000 0.631 423 A CB -1.028 17.273 19.000 -1.165 0.000 0.814 423 A HN 0.317 nan 8.150 nan 0.000 0.446 424 L N -2.141 118.917 121.223 -0.276 0.000 2.109 424 L HA -0.083 4.252 4.340 -0.009 0.000 0.207 424 L C 2.365 179.139 176.870 -0.160 0.000 1.086 424 L CA 1.830 56.626 54.840 -0.074 0.000 0.760 424 L CB -1.029 41.092 42.059 0.102 0.000 0.910 424 L HN 0.609 nan 8.230 nan 0.000 0.437 425 Y N 0.250 120.296 120.300 -0.423 0.000 2.165 425 Y HA -0.321 4.223 4.550 -0.010 0.000 0.286 425 Y C 2.379 177.919 175.900 -0.599 0.000 1.155 425 Y CA 1.680 59.483 58.100 -0.495 0.000 1.164 425 Y CB -0.174 37.877 38.460 -0.681 0.000 0.978 425 Y HN 0.130 nan 8.280 nan 0.000 0.513 426 A N 0.421 122.804 122.820 -0.729 0.000 1.902 426 A HA -0.217 4.098 4.320 -0.009 0.000 0.217 426 A C 2.039 179.394 177.584 -0.383 0.000 1.181 426 A CA 1.978 53.639 52.037 -0.625 0.000 0.623 426 A CB -0.711 17.907 19.000 -0.636 0.000 0.818 426 A HN 0.679 nan 8.150 nan 0.000 0.443 427 E N -1.051 118.997 120.200 -0.252 0.000 2.072 427 E HA -0.239 4.105 4.350 -0.009 0.000 0.191 427 E C 2.237 178.756 176.600 -0.134 0.000 0.985 427 E CA 1.316 57.665 56.400 -0.085 0.000 0.801 427 E CB -0.143 29.577 29.700 0.034 0.000 0.750 427 E HN 0.705 nan 8.360 nan 0.000 0.452 428 Q N 1.084 120.766 119.800 -0.197 0.000 2.050 428 Q HA -0.116 4.218 4.340 -0.009 0.000 0.202 428 Q C 0.996 176.834 176.000 -0.269 0.000 0.980 428 Q CA 0.761 56.446 55.803 -0.196 0.000 0.840 428 Q CB -0.260 28.361 28.738 -0.194 0.000 0.898 428 Q HN 0.134 nan 8.270 nan 0.000 0.424 432 E N 0.680 120.819 120.200 -0.101 0.000 2.204 432 E HA -0.040 4.304 4.350 -0.009 0.000 0.195 432 E C 1.650 178.208 176.600 -0.070 0.000 0.990 432 E CA 1.592 57.941 56.400 -0.085 0.000 0.821 432 E CB -0.044 29.598 29.700 -0.096 0.000 0.750 432 E HN 0.484 nan 8.360 nan 0.000 0.477 433 L N -0.525 120.666 121.223 -0.053 0.000 2.599 433 L HA 0.131 4.465 4.340 -0.009 0.000 0.230 433 L C 1.215 178.023 176.870 -0.104 0.000 1.141 433 L CA 0.361 55.189 54.840 -0.020 0.000 0.877 433 L CB 0.076 42.190 42.059 0.091 0.000 1.009 433 L HN 0.283 nan 8.230 nan 0.000 0.447 434 G N -1.156 107.584 108.800 -0.101 0.000 2.130 434 G HA2 -0.319 3.635 3.960 -0.009 0.000 0.216 434 G HA3 -0.319 3.635 3.960 -0.009 0.000 0.216 434 G C 0.254 175.023 174.900 -0.219 0.000 0.999 434 G CA -0.173 44.828 45.100 -0.166 0.000 0.686 434 G HN 0.335 nan 8.290 nan 0.000 0.515 435 Y N -0.291 119.958 120.300 -0.086 0.000 2.511 435 Y HA 0.435 4.979 4.550 -0.010 0.000 0.279 435 Y C 2.045 177.999 175.900 0.090 0.000 1.157 435 Y CA 0.701 58.785 58.100 -0.026 0.000 1.300 435 Y CB 0.449 38.789 38.460 -0.201 0.000 1.052 435 Y HN 0.332 nan 8.280 nan 0.000 0.529 436 L N -0.235 121.070 121.223 0.136 0.000 3.168 436 L HA 0.218 4.552 4.340 -0.009 0.000 0.277 436 L C 1.203 178.090 176.870 0.029 0.000 1.308 436 L CA -0.010 54.897 54.840 0.113 0.000 0.976 436 L CB 0.298 42.381 42.059 0.041 0.000 1.383 436 L HN 0.027 nan 8.230 nan 0.000 0.572 437 K N 0.082 120.510 120.400 0.047 0.000 2.155 437 K HA -0.073 4.241 4.320 -0.009 0.000 0.203 437 K C 0.483 177.141 176.600 0.096 0.000 1.052 437 K CA 0.505 56.818 56.287 0.044 0.000 0.948 437 K CB 0.072 32.581 32.500 0.015 0.000 0.728 437 K HN 0.277 nan 8.250 nan 0.000 0.448 438 D N 1.424 121.895 120.400 0.118 0.000 2.487 438 D HA -0.034 4.601 4.640 -0.009 0.000 0.243 438 D C -1.659 174.734 176.300 0.155 0.000 1.154 438 D CA -1.383 52.694 54.000 0.127 0.000 0.876 438 D CB 1.129 42.020 40.800 0.152 0.000 1.161 438 D HN -0.104 nan 8.370 nan 0.000 0.478 439 P HA -0.060 nan 4.420 nan 0.000 0.218 439 P C 1.365 178.708 177.300 0.072 0.000 1.149 439 P CA 0.941 64.099 63.100 0.097 0.000 0.817 439 P CB 0.023 31.730 31.700 0.012 0.000 0.785 440 G N 0.741 109.566 108.800 0.043 0.000 2.459 440 G HA2 -0.254 3.700 3.960 -0.009 0.000 0.217 440 G HA3 -0.254 3.700 3.960 -0.009 0.000 0.217 440 G C 1.256 176.352 174.900 0.327 0.000 1.183 440 G CA 0.989 46.117 45.100 0.047 0.000 0.776 440 G HN 0.161 nan 8.290 nan 0.000 0.552 441 D N -0.186 120.407 120.400 0.322 0.000 2.123 441 D HA -0.055 4.580 4.640 -0.009 0.000 0.196 441 D C 1.381 177.889 176.300 0.345 0.000 0.992 441 D CA 0.569 54.776 54.000 0.345 0.000 0.833 441 D CB -0.360 40.617 40.800 0.295 0.000 0.954 441 D HN 0.253 nan 8.370 nan 0.000 0.455 447 D N 1.341 121.800 120.400 0.099 0.000 2.104 447 D HA -0.137 4.498 4.640 -0.009 0.000 0.194 447 D C 1.915 178.222 176.300 0.010 0.000 0.994 447 D CA 2.045 56.083 54.000 0.063 0.000 0.830 447 D CB -0.173 40.684 40.800 0.095 0.000 0.959 447 D HN 0.452 nan 8.370 nan 0.000 0.452 448 G N 0.342 109.146 108.800 0.007 0.000 2.408 448 G HA2 -0.228 3.726 3.960 -0.009 0.000 0.217 448 G HA3 -0.228 3.726 3.960 -0.009 0.000 0.217 448 G C 1.567 176.458 174.900 -0.016 0.000 1.150 448 G CA 0.300 45.380 45.100 -0.033 0.000 0.776 448 G HN 0.170 nan 8.290 nan 0.000 0.542 449 Q N 0.053 119.867 119.800 0.024 0.000 2.079 449 Q HA -0.021 4.314 4.340 -0.009 0.000 0.200 449 Q C 1.853 177.855 176.000 0.004 0.000 0.974 449 Q CA 0.419 56.243 55.803 0.034 0.000 0.840 449 Q CB -0.191 28.582 28.738 0.057 0.000 0.898 449 Q HN 0.502 nan 8.270 nan 0.000 0.430 453 A N 1.500 124.311 122.820 -0.016 0.000 1.898 453 A HA 0.084 4.398 4.320 -0.009 0.000 0.216 453 A C 2.221 179.802 177.584 -0.004 0.000 1.181 453 A CA 1.844 53.862 52.037 -0.032 0.000 0.620 453 A CB -0.510 18.442 19.000 -0.081 0.000 0.819 453 A HN 0.335 nan 8.150 nan 0.000 0.442 454 A N -0.173 122.625 122.820 -0.038 0.000 1.972 454 A HA -0.176 4.138 4.320 -0.009 0.000 0.219 454 A C 2.204 179.841 177.584 0.088 0.000 1.169 454 A CA 1.528 53.564 52.037 -0.001 0.000 0.635 454 A CB -0.471 18.319 19.000 -0.351 0.000 0.810 454 A HN 0.558 nan 8.150 nan 0.000 0.446 455 R N -0.730 119.739 120.500 -0.051 0.000 2.096 455 R HA -0.095 4.240 4.340 -0.009 0.000 0.235 455 R C 2.010 178.306 176.300 -0.006 0.000 1.127 455 R CA 1.466 57.464 56.100 -0.170 0.000 0.968 455 R CB -0.525 29.603 30.300 -0.288 0.000 0.861 455 R HN 0.419 nan 8.270 nan 0.000 0.440 456 V N 0.343 120.304 119.914 0.078 0.000 2.295 456 V HA -0.215 3.899 4.120 -0.009 0.000 0.246 456 V C 2.339 178.528 176.094 0.159 0.000 1.049 456 V CA 1.625 64.018 62.300 0.156 0.000 1.024 456 V CB -0.338 31.611 31.823 0.210 0.000 0.648 456 V HN 0.114 nan 8.190 nan 0.000 0.447 457 V N -0.429 119.560 119.914 0.124 0.000 2.261 457 V HA -0.291 3.823 4.120 -0.009 0.000 0.246 457 V C 2.156 178.198 176.094 -0.087 0.000 1.047 457 V CA 2.614 64.958 62.300 0.075 0.000 1.015 457 V CB -0.777 31.055 31.823 0.015 0.000 0.642 457 V HN 0.570 nan 8.190 nan 0.000 0.446 458 F N 1.289 121.094 119.950 -0.242 0.000 2.102 458 F HA -0.209 4.314 4.527 -0.007 0.000 0.298 458 F C 2.212 177.822 175.800 -0.317 0.000 1.105 458 F CA 2.315 60.052 58.000 -0.438 0.000 1.239 458 F CB -0.213 38.752 39.000 -0.058 0.000 0.991 458 F HN 0.225 nan 8.300 nan 0.000 0.474 459 D N 0.231 120.753 120.400 0.202 0.000 2.097 459 D HA -0.151 4.483 4.640 -0.009 0.000 0.197 459 D C 2.193 178.493 176.300 -0.001 0.000 0.984 459 D CA 1.818 55.989 54.000 0.285 0.000 0.826 459 D CB -0.182 40.808 40.800 0.316 0.000 0.973 459 D HN 0.396 nan 8.370 nan 0.000 0.460 460 I N -0.067 120.430 120.570 -0.122 0.000 2.233 460 I HA -0.047 4.117 4.170 -0.009 0.000 0.243 460 I C 2.525 178.359 176.117 -0.471 0.000 1.093 460 I CA 1.080 62.148 61.300 -0.387 0.000 1.380 460 I CB -0.670 37.251 38.000 -0.132 0.000 1.067 460 I HN 0.089 nan 8.210 nan 0.000 0.413 461 G N 0.903 109.403 108.800 -0.500 0.000 2.446 461 G HA2 -0.195 3.759 3.960 -0.009 0.000 0.217 461 G HA3 -0.195 3.759 3.960 -0.009 0.000 0.217 461 G C 1.712 176.240 174.900 -0.621 0.000 1.168 461 G CA 1.085 45.753 45.100 -0.720 0.000 0.771 461 G HN 0.231 nan 8.290 nan 0.000 0.551 462 V N 0.197 119.610 119.914 -0.835 0.000 2.270 462 V HA -0.146 3.969 4.120 -0.009 0.000 0.245 462 V C 2.410 178.234 176.094 -0.451 0.000 1.043 462 V CA 2.208 64.104 62.300 -0.673 0.000 1.014 462 V CB -0.832 30.338 31.823 -1.088 0.000 0.645 462 V HN 0.491 nan 8.190 nan 0.000 0.447 463 H N -0.969 117.910 119.070 -0.320 0.000 2.423 463 H HA -0.034 4.517 4.556 -0.008 0.000 0.297 463 H C 1.638 176.834 175.328 -0.220 0.000 1.075 463 H CA 1.091 57.016 56.048 -0.205 0.000 1.342 463 H CB 0.138 29.833 29.762 -0.112 0.000 1.395 463 H HN 0.230 nan 8.280 nan 0.000 0.530 464 L N 0.468 121.566 121.223 -0.210 0.000 2.607 464 L HA 0.046 4.381 4.340 -0.009 0.000 0.228 464 L C 0.305 177.094 176.870 -0.135 0.000 1.123 464 L CA 0.455 55.190 54.840 -0.175 0.000 0.890 464 L CB -0.095 41.823 42.059 -0.234 0.000 1.103 464 L HN 0.182 nan 8.230 nan 0.000 0.468 465 E N 0.460 120.585 120.200 -0.125 0.000 2.252 465 E HA -0.235 4.110 4.350 -0.009 0.000 0.218 465 E C -0.172 176.399 176.600 -0.048 0.000 1.253 465 E CA 0.196 56.565 56.400 -0.052 0.000 0.705 465 E CB -1.662 28.017 29.700 -0.036 0.000 1.172 465 E HN 0.415 nan 8.360 nan 0.000 0.369 466 L N -0.219 120.960 121.223 -0.072 0.000 2.468 466 L HA 0.390 4.725 4.340 -0.009 0.000 0.254 466 L C -1.900 174.960 176.870 -0.017 0.000 1.171 466 L CA -2.084 52.687 54.840 -0.115 0.000 0.809 466 L CB 0.082 41.874 42.059 -0.446 0.000 1.155 466 L HN -0.141 nan 8.230 nan 0.000 0.473 467 P HA 0.073 nan 4.420 nan 0.000 0.276 467 P C -0.683 176.544 177.300 -0.121 0.000 1.235 467 P CA -0.267 62.791 63.100 -0.071 0.000 0.772 467 P CB 0.750 32.447 31.700 -0.004 0.000 0.871 468 V N 6.771 126.402 119.914 -0.471 0.000 2.673 468 V HA 0.060 4.174 4.120 -0.009 0.000 0.303 468 V C -1.774 174.201 176.094 -0.197 0.000 1.046 468 V CA -0.966 60.897 62.300 -0.729 0.000 1.126 468 V CB -0.293 30.925 31.823 -1.008 0.000 0.934 468 V HN 0.575 nan 8.190 nan 0.000 0.487 469 P HA 0.149 nan 4.420 nan 0.000 0.272 469 P C 0.938 178.219 177.300 -0.032 0.000 1.223 469 P CA -0.332 62.809 63.100 0.068 0.000 0.784 469 P CB 0.557 32.396 31.700 0.232 0.000 0.923 470 E N 1.753 121.909 120.200 -0.074 0.000 2.108 470 E HA -0.305 4.040 4.350 -0.009 0.000 0.203 470 E C 1.826 178.305 176.600 -0.202 0.000 1.022 470 E CA 1.556 57.884 56.400 -0.120 0.000 0.823 470 E CB -0.216 29.418 29.700 -0.110 0.000 0.744 470 E HN 0.441 nan 8.360 nan 0.000 0.456 471 R N -0.345 119.930 120.500 -0.375 0.000 2.152 471 R HA -0.153 4.181 4.340 -0.009 0.000 0.232 471 R C 1.482 177.399 176.300 -0.638 0.000 1.117 471 R CA 1.544 57.219 56.100 -0.707 0.000 0.981 471 R CB -0.056 29.505 30.300 -1.232 0.000 0.870 471 R HN 0.245 nan 8.270 nan 0.000 0.451 472 W N -1.312 120.018 121.300 0.050 0.000 2.998 472 W HA 0.415 5.068 4.660 -0.011 0.000 0.336 472 W C 0.718 177.207 176.519 -0.050 0.000 1.112 472 W CA -0.040 57.365 57.345 0.100 0.000 1.682 472 W CB 1.097 30.696 29.460 0.231 0.000 1.065 472 W HN 0.265 nan 8.180 nan 0.000 0.570 473 G N 0.283 109.096 108.800 0.022 0.000 2.373 473 G HA2 0.324 4.278 3.960 -0.009 0.000 0.250 473 G HA3 0.324 4.278 3.960 -0.009 0.000 0.250 473 G C -0.778 174.043 174.900 -0.131 0.000 1.304 473 G CA -0.226 44.833 45.100 -0.067 0.000 0.948 473 G HN -0.028 nan 8.290 nan 0.000 0.474 474 T N -2.896 111.568 114.554 -0.149 0.000 2.865 474 T HA 0.866 5.211 4.350 -0.009 0.000 0.294 474 T C 1.100 175.702 174.700 -0.162 0.000 1.119 474 T CA 0.764 62.784 62.100 -0.133 0.000 1.007 474 T CB 1.394 70.214 68.868 -0.080 0.000 1.225 474 T HN 2.808 nan 8.240 nan 0.000 0.515 475 G N 0.948 109.671 108.800 -0.128 0.000 2.564 475 G HA2 -0.096 3.858 3.960 -0.009 0.000 0.273 475 G HA3 -0.096 3.858 3.960 -0.009 0.000 0.273 475 G C -0.149 174.645 174.900 -0.177 0.000 1.242 475 G CA 0.040 45.069 45.100 -0.119 0.000 0.951 475 G HN 1.314 nan 8.290 nan 0.000 0.564 476 T N 0.576 115.045 114.554 -0.143 0.000 2.867 476 T HA 0.481 4.826 4.350 -0.009 0.000 0.282 476 T C 0.005 174.626 174.700 -0.131 0.000 1.000 476 T CA -0.031 61.992 62.100 -0.128 0.000 1.042 476 T CB 1.131 69.970 68.868 -0.048 0.000 0.973 476 T HN 0.506 nan 8.240 nan 0.000 0.465 477 W N 2.663 123.905 121.300 -0.097 0.000 2.231 477 W HA 0.292 4.954 4.660 0.003 0.000 0.341 477 W C 1.208 177.664 176.519 -0.106 0.000 1.298 477 W CA -0.075 57.197 57.345 -0.121 0.000 1.266 477 W CB 0.334 29.662 29.460 -0.221 0.000 1.172 477 W HN 0.683 nan 8.180 nan 0.000 0.568 478 T N 0.099 114.809 114.554 0.261 0.000 2.901 478 T HA 0.383 4.727 4.350 -0.009 0.000 0.293 478 T C -2.213 172.606 174.700 0.199 0.000 1.084 478 T CA -2.084 60.110 62.100 0.157 0.000 1.008 478 T CB 2.102 71.046 68.868 0.126 0.000 1.170 478 T HN 0.008 nan 8.240 nan 0.000 0.509 479 P HA -0.051 nan 4.420 nan 0.000 0.216 479 P C 1.399 179.007 177.300 0.512 0.000 1.150 479 P CA 0.936 64.233 63.100 0.328 0.000 0.837 479 P CB 0.179 32.033 31.700 0.257 0.000 0.786 480 E N 0.168 120.570 120.200 0.337 0.000 2.058 480 E HA -0.229 4.115 4.350 -0.009 0.000 0.194 480 E C 1.789 178.573 176.600 0.308 0.000 0.997 480 E CA 1.337 57.896 56.400 0.266 0.000 0.801 480 E CB -0.141 29.657 29.700 0.164 0.000 0.746 480 E HN 0.163 nan 8.360 nan 0.000 0.450 481 K N -0.524 120.067 120.400 0.318 0.000 2.097 481 K HA -0.103 4.211 4.320 -0.009 0.000 0.206 481 K C 2.143 179.108 176.600 0.609 0.000 1.049 481 K CA 1.048 57.563 56.287 0.380 0.000 0.933 481 K CB -0.278 32.390 32.500 0.279 0.000 0.717 481 K HN 0.197 nan 8.250 nan 0.000 0.442 482 G N 0.895 110.078 108.800 0.638 0.000 2.442 482 G HA2 -0.281 3.673 3.960 -0.009 0.000 0.219 482 G HA3 -0.281 3.673 3.960 -0.009 0.000 0.219 482 G C 1.340 176.690 174.900 0.750 0.000 1.141 482 G CA 0.552 46.036 45.100 0.640 0.000 0.763 482 G HN 0.258 nan 8.290 nan 0.000 0.554 483 F N 1.901 122.043 119.950 0.320 0.000 2.102 483 F HA -0.038 4.483 4.527 -0.011 0.000 0.298 483 F C 2.225 178.016 175.800 -0.015 0.000 1.105 483 F CA 1.835 59.718 58.000 -0.195 0.000 1.239 483 F CB -0.077 38.459 39.000 -0.774 0.000 0.991 483 F HN 0.073 nan 8.300 nan 0.000 0.474 484 D N -0.054 120.454 120.400 0.181 0.000 2.144 484 D HA -0.224 4.410 4.640 -0.009 0.000 0.199 484 D C 2.056 178.428 176.300 0.120 0.000 0.984 484 D CA 1.370 55.440 54.000 0.116 0.000 0.834 484 D CB -0.751 40.188 40.800 0.232 0.000 0.955 484 D HN 0.377 nan 8.370 nan 0.000 0.465 485 F N 1.277 121.295 119.950 0.113 0.000 2.095 485 F HA -0.153 4.369 4.527 -0.008 0.000 0.298 485 F C 2.030 177.724 175.800 -0.177 0.000 1.104 485 F CA 1.242 59.252 58.000 0.016 0.000 1.232 485 F CB -0.310 38.817 39.000 0.213 0.000 0.987 485 F HN -0.098 nan 8.300 nan 0.000 0.475 486 L N 0.192 121.287 121.223 -0.213 0.000 2.093 486 L HA -0.201 4.134 4.340 -0.009 0.000 0.208 486 L C 2.541 179.130 176.870 -0.468 0.000 1.085 486 L CA 1.641 56.225 54.840 -0.428 0.000 0.755 486 L CB -0.794 41.068 42.059 -0.327 0.000 0.904 486 L HN 0.122 nan 8.230 nan 0.000 0.435 487 K N 0.593 120.691 120.400 -0.504 0.000 2.103 487 K HA -0.191 4.124 4.320 -0.009 0.000 0.207 487 K C 2.042 178.492 176.600 -0.251 0.000 1.048 487 K CA 1.401 57.441 56.287 -0.411 0.000 0.930 487 K CB -0.053 32.199 32.500 -0.414 0.000 0.716 487 K HN 0.290 nan 8.250 nan 0.000 0.444 488 A N 0.610 123.286 122.820 -0.239 0.000 2.067 488 A HA -0.033 4.281 4.320 -0.009 0.000 0.217 488 A C 1.499 178.956 177.584 -0.212 0.000 1.156 488 A CA 1.111 53.066 52.037 -0.137 0.000 0.683 488 A CB -0.113 18.890 19.000 0.005 0.000 0.808 488 A HN 0.353 nan 8.150 nan 0.000 0.455 489 N N -0.915 117.543 118.700 -0.403 0.000 2.273 489 N HA 0.220 4.954 4.740 -0.009 0.000 0.192 489 N C -0.394 174.953 175.510 -0.271 0.000 1.132 489 N CA 0.184 52.995 53.050 -0.398 0.000 0.887 489 N CB 0.613 38.661 38.487 -0.732 0.000 1.048 489 N HN 0.316 nan 8.380 nan 0.000 0.490 490 L N 1.109 122.182 121.223 -0.250 0.000 2.313 490 L HA 0.368 4.703 4.340 -0.009 0.000 0.283 490 L C -0.348 176.445 176.870 -0.128 0.000 1.013 490 L CA -0.481 54.255 54.840 -0.173 0.000 0.816 490 L CB 2.132 44.090 42.059 -0.168 0.000 1.236 490 L HN -0.214 nan 8.230 nan 0.000 0.419 491 D N 5.742 126.090 120.400 -0.087 0.000 2.524 491 D HA 0.413 5.047 4.640 -0.009 0.000 0.222 491 D C -0.463 175.804 176.300 -0.055 0.000 1.142 491 D CA 0.042 54.009 54.000 -0.056 0.000 0.973 491 D CB 0.534 41.322 40.800 -0.020 0.000 1.025 491 D HN 0.468 nan 8.370 nan 0.000 0.519 492 I N -1.781 118.753 120.570 -0.060 0.000 3.279 492 I HA 0.465 4.630 4.170 -0.009 0.000 0.315 492 I C 0.249 176.345 176.117 -0.034 0.000 1.187 492 I CA -1.045 60.226 61.300 -0.049 0.000 0.953 492 I CB 1.694 39.663 38.000 -0.051 0.000 1.279 492 I HN -0.025 nan 8.210 nan 0.000 0.465 493 S N 0.303 115.991 115.700 -0.021 0.000 2.580 493 S HA 0.033 4.497 4.470 -0.009 0.000 0.266 493 S C 0.909 175.516 174.600 0.012 0.000 1.354 493 S CA 0.453 58.651 58.200 -0.004 0.000 1.008 493 S CB 1.095 64.294 63.200 -0.002 0.000 0.898 493 S HN 0.926 nan 8.310 nan 0.000 0.555 494 E N 1.904 122.122 120.200 0.030 0.000 2.085 494 E HA -0.126 4.218 4.350 -0.009 0.000 0.194 494 E C 2.037 178.689 176.600 0.086 0.000 0.994 494 E CA 1.297 57.737 56.400 0.067 0.000 0.801 494 E CB -1.058 28.685 29.700 0.072 0.000 0.743 494 E HN 0.899 nan 8.360 nan 0.000 0.453 495 G N 0.644 109.480 108.800 0.059 0.000 2.459 495 G HA2 -0.294 3.660 3.960 -0.009 0.000 0.217 495 G HA3 -0.294 3.660 3.960 -0.009 0.000 0.217 495 G C 1.575 176.530 174.900 0.092 0.000 1.183 495 G CA 0.717 45.855 45.100 0.065 0.000 0.776 495 G HN 0.213 nan 8.290 nan 0.000 0.552 496 Q N -0.200 119.635 119.800 0.058 0.000 2.167 496 Q HA 0.110 4.445 4.340 -0.009 0.000 0.202 496 Q C 2.600 178.655 176.000 0.092 0.000 0.970 496 Q CA 0.367 56.211 55.803 0.069 0.000 0.855 496 Q CB -0.367 28.377 28.738 0.010 0.000 0.911 496 Q HN 0.488 nan 8.270 nan 0.000 0.438 497 L N 0.737 121.993 121.223 0.056 0.000 2.017 497 L HA -0.230 4.104 4.340 -0.009 0.000 0.208 497 L C 2.276 179.235 176.870 0.147 0.000 1.073 497 L CA 1.372 56.222 54.840 0.018 0.000 0.745 497 L CB -0.168 41.861 42.059 -0.049 0.000 0.894 497 L HN 0.259 nan 8.230 nan 0.000 0.432 498 Q N -0.833 119.118 119.800 0.251 0.000 2.124 498 Q HA -0.261 4.074 4.340 -0.009 0.000 0.202 498 Q C 2.006 178.144 176.000 0.231 0.000 0.977 498 Q CA 1.827 57.820 55.803 0.317 0.000 0.850 498 Q CB -0.532 28.334 28.738 0.213 0.000 0.901 498 Q HN 0.488 nan 8.270 nan 0.000 0.429 499 F N 2.184 122.163 119.950 0.048 0.000 2.113 499 F HA -0.164 4.358 4.527 -0.009 0.000 0.297 499 F C 2.161 177.896 175.800 -0.108 0.000 1.103 499 F CA 1.292 59.281 58.000 -0.018 0.000 1.248 499 F CB 0.131 39.112 39.000 -0.031 0.000 0.999 499 F HN 0.017 nan 8.300 nan 0.000 0.475 500 E N -0.005 120.149 120.200 -0.077 0.000 2.058 500 E HA -0.267 4.078 4.350 -0.009 0.000 0.194 500 E C 2.170 178.218 176.600 -0.920 0.000 0.997 500 E CA 1.543 57.648 56.400 -0.493 0.000 0.801 500 E CB -1.033 28.436 29.700 -0.385 0.000 0.746 500 E HN 0.507 nan 8.360 nan 0.000 0.450 501 F N 2.339 121.926 119.950 -0.606 0.000 2.091 501 F HA -0.227 4.294 4.527 -0.011 0.000 0.299 501 F C 2.321 177.974 175.800 -0.245 0.000 1.103 501 F CA 1.961 59.714 58.000 -0.411 0.000 1.228 501 F CB -0.618 38.406 39.000 0.041 0.000 0.984 501 F HN -0.098 nan 8.300 nan 0.000 0.477 502 T N 0.725 115.071 114.554 -0.347 0.000 2.821 502 T HA -0.155 4.189 4.350 -0.009 0.000 0.267 502 T C 2.063 176.548 174.700 -0.358 0.000 1.046 502 T CA 1.345 63.210 62.100 -0.393 0.000 1.139 502 T CB -0.337 68.361 68.868 -0.283 0.000 0.871 502 T HN 0.281 nan 8.240 nan 0.000 0.454 503 R N -0.039 120.169 120.500 -0.487 0.000 2.080 503 R HA -0.150 4.185 4.340 -0.009 0.000 0.236 503 R C 2.120 178.470 176.300 0.083 0.000 1.137 503 R CA 1.690 57.612 56.100 -0.296 0.000 0.943 503 R CB -0.362 29.728 30.300 -0.350 0.000 0.846 503 R HN 0.370 nan 8.270 nan 0.000 0.431 504 Y N 0.782 121.103 120.300 0.036 0.000 2.242 504 Y HA -0.113 4.431 4.550 -0.010 0.000 0.291 504 Y C 2.167 178.289 175.900 0.370 0.000 1.137 504 Y CA 0.627 58.846 58.100 0.198 0.000 1.181 504 Y CB -0.703 37.826 38.460 0.116 0.000 0.989 504 Y HN 0.073 nan 8.280 nan 0.000 0.527 505 L N -1.031 120.383 121.223 0.318 0.000 2.093 505 L HA -0.113 4.222 4.340 -0.009 0.000 0.208 505 L C 2.492 179.553 176.870 0.317 0.000 1.085 505 L CA 1.496 56.483 54.840 0.245 0.000 0.755 505 L CB -0.848 41.156 42.059 -0.092 0.000 0.904 505 L HN 0.289 nan 8.230 nan 0.000 0.435 506 G N -2.375 106.541 108.800 0.194 0.000 2.744 506 G HA2 -0.188 3.766 3.960 -0.009 0.000 0.211 506 G HA3 -0.188 3.766 3.960 -0.009 0.000 0.211 506 G C 0.226 175.300 174.900 0.289 0.000 1.146 506 G CA -0.276 44.930 45.100 0.177 0.000 0.787 506 G HN 0.312 nan 8.290 nan 0.000 0.534 507 W N 3.151 124.511 121.300 0.100 0.000 1.759 507 W HA 0.443 5.097 4.660 -0.010 0.000 0.291 507 W C -2.365 174.188 176.519 0.056 0.000 0.855 507 W CA -3.448 53.949 57.345 0.087 0.000 2.167 507 W CB 0.689 30.189 29.460 0.068 0.000 2.351 507 W HN -0.079 nan 8.180 nan 0.000 0.423 508 P HA 0.179 nan 4.420 nan 0.000 0.268 508 P C 0.935 178.075 177.300 -0.267 0.000 1.208 508 P CA 1.875 64.874 63.100 -0.169 0.000 0.777 508 P CB 1.268 32.621 31.700 -0.579 0.000 0.875 509 G N 1.100 109.697 108.800 -0.338 0.000 2.299 509 G HA2 -0.286 3.669 3.960 -0.009 0.000 0.237 509 G HA3 -0.286 3.669 3.960 -0.009 0.000 0.237 509 G C 1.141 175.889 174.900 -0.253 0.000 1.027 509 G CA 0.372 45.247 45.100 -0.374 0.000 0.619 509 G HN 0.590 nan 8.290 nan 0.000 0.513 510 Q N 0.779 120.125 119.800 -0.756 0.000 2.096 510 Q HA 0.226 4.561 4.340 -0.009 0.000 0.197 510 Q C 2.922 178.663 176.000 -0.433 0.000 0.964 510 Q CA 2.076 57.095 55.803 -1.306 0.000 0.838 510 Q CB -0.443 26.924 28.738 -2.284 0.000 0.906 510 Q HN 0.980 nan 8.270 nan 0.000 0.444 511 A N 1.584 124.290 122.820 -0.190 0.000 1.908 511 A HA -0.124 4.191 4.320 -0.009 0.000 0.218 511 A C -0.590 177.045 177.584 0.085 0.000 1.181 511 A CA 1.410 53.402 52.037 -0.076 0.000 0.627 511 A CB -1.491 17.209 19.000 -0.500 0.000 0.818 511 A HN 0.378 nan 8.150 nan 0.000 0.445 512 P HA -0.057 nan 4.420 nan 0.000 0.233 512 P C 1.585 179.004 177.300 0.199 0.000 1.167 512 P CA 1.366 64.575 63.100 0.180 0.000 0.770 512 P CB -0.069 31.759 31.700 0.213 0.000 0.837 513 S N -2.068 113.695 115.700 0.105 0.000 2.423 513 S HA -0.212 4.252 4.470 -0.009 0.000 0.231 513 S C 1.738 176.358 174.600 0.032 0.000 1.014 513 S CA 0.841 59.048 58.200 0.013 0.000 0.965 513 S CB -1.586 61.543 63.200 -0.118 0.000 0.785 513 S HN 0.144 nan 8.310 nan 0.000 0.495 514 Y N 1.984 122.345 120.300 0.101 0.000 2.060 514 Y HA 0.021 4.565 4.550 -0.010 0.000 0.276 514 Y C 2.918 178.921 175.900 0.173 0.000 1.127 514 Y CA 1.372 59.558 58.100 0.143 0.000 1.104 514 Y CB -0.336 38.208 38.460 0.139 0.000 0.983 514 Y HN 0.091 nan 8.280 nan 0.000 0.483 515 K N 0.037 120.668 120.400 0.385 0.000 2.097 515 K HA -0.077 4.237 4.320 -0.009 0.000 0.205 515 K C 2.085 178.918 176.600 0.389 0.000 1.050 515 K CA 0.964 57.483 56.287 0.387 0.000 0.938 515 K CB -0.677 32.060 32.500 0.395 0.000 0.718 515 K HN 0.204 nan 8.250 nan 0.000 0.442 516 V N 0.560 120.648 119.914 0.289 0.000 2.358 516 V HA -0.156 3.958 4.120 -0.009 0.000 0.246 516 V C 2.430 178.576 176.094 0.086 0.000 1.047 516 V CA 2.069 64.437 62.300 0.112 0.000 1.035 516 V CB -0.983 30.902 31.823 0.104 0.000 0.658 516 V HN 0.375 nan 8.190 nan 0.000 0.452 517 G N -0.994 107.893 108.800 0.146 0.000 2.476 517 G HA2 -0.369 3.585 3.960 -0.009 0.000 0.218 517 G HA3 -0.369 3.585 3.960 -0.009 0.000 0.218 517 G C 1.529 176.630 174.900 0.334 0.000 1.164 517 G CA 1.138 46.357 45.100 0.198 0.000 0.768 517 G HN 0.532 nan 8.290 nan 0.000 0.560 518 Q N -0.002 119.979 119.800 0.303 0.000 2.061 518 Q HA -0.160 4.174 4.340 -0.009 0.000 0.204 518 Q C 2.607 178.781 176.000 0.289 0.000 0.984 518 Q CA 1.574 57.566 55.803 0.315 0.000 0.846 518 Q CB -0.237 28.659 28.738 0.264 0.000 0.902 518 Q HN 0.512 nan 8.270 nan 0.000 0.421 519 R N -0.012 120.582 120.500 0.156 0.000 2.096 519 R HA -0.170 4.164 4.340 -0.009 0.000 0.240 519 R C 2.318 178.623 176.300 0.009 0.000 1.139 519 R CA 1.722 57.806 56.100 -0.027 0.000 0.952 519 R CB -0.272 29.706 30.300 -0.536 0.000 0.854 519 R HN 0.362 nan 8.270 nan 0.000 0.436 520 L N -1.478 119.756 121.223 0.019 0.000 2.131 520 L HA -0.122 4.213 4.340 -0.009 0.000 0.206 520 L C 2.213 179.116 176.870 0.054 0.000 1.087 520 L CA 0.907 55.736 54.840 -0.019 0.000 0.767 520 L CB -0.474 41.538 42.059 -0.079 0.000 0.917 520 L HN 0.305 nan 8.230 nan 0.000 0.441 521 W N 1.139 122.475 121.300 0.060 0.000 2.358 521 W HA -0.172 4.482 4.660 -0.010 0.000 0.303 521 W C 2.574 179.190 176.519 0.161 0.000 1.208 521 W CA 1.198 58.600 57.345 0.095 0.000 1.274 521 W CB -0.032 29.459 29.460 0.052 0.000 1.138 521 W HN 0.124 nan 8.180 nan 0.000 0.515 522 E N -0.338 120.134 120.200 0.453 0.000 2.150 522 E HA -0.243 4.101 4.350 -0.009 0.000 0.193 522 E C 1.988 178.690 176.600 0.170 0.000 0.985 522 E CA 1.095 57.705 56.400 0.350 0.000 0.814 522 E CB -0.365 29.501 29.700 0.277 0.000 0.752 522 E HN 0.478 nan 8.360 nan 0.000 0.466 523 Q N 0.478 120.339 119.800 0.100 0.000 2.084 523 Q HA -0.156 4.178 4.340 -0.009 0.000 0.202 523 Q C 2.294 178.294 176.000 -0.000 0.000 0.978 523 Q CA 1.126 56.940 55.803 0.018 0.000 0.844 523 Q CB -0.100 28.620 28.738 -0.029 0.000 0.898 523 Q HN 0.332 nan 8.270 nan 0.000 0.426 524 I N 0.344 120.935 120.570 0.035 0.000 2.163 524 I HA -0.323 3.841 4.170 -0.009 0.000 0.243 524 I C 2.670 178.738 176.117 -0.081 0.000 1.085 524 I CA 1.254 62.567 61.300 0.021 0.000 1.347 524 I CB -0.345 37.714 38.000 0.099 0.000 1.044 524 I HN 0.176 nan 8.210 nan 0.000 0.408 525 R N 1.424 121.875 120.500 -0.080 0.000 2.081 525 R HA -0.179 4.156 4.340 -0.009 0.000 0.235 525 R C 2.353 178.413 176.300 -0.400 0.000 1.131 525 R CA 1.637 57.488 56.100 -0.415 0.000 0.960 525 R CB -0.282 29.959 30.300 -0.098 0.000 0.856 525 R HN 0.348 nan 8.270 nan 0.000 0.436 526 A N 0.876 123.578 122.820 -0.196 0.000 1.933 526 A HA -0.210 4.105 4.320 -0.009 0.000 0.218 526 A C 1.992 179.445 177.584 -0.219 0.000 1.175 526 A CA 1.749 53.670 52.037 -0.192 0.000 0.628 526 A CB -0.513 18.437 19.000 -0.083 0.000 0.814 526 A HN 0.531 nan 8.150 nan 0.000 0.444 527 E N 0.312 120.409 120.200 -0.172 0.000 2.072 527 E HA -0.105 4.240 4.350 -0.009 0.000 0.191 527 E C 1.777 178.266 176.600 -0.185 0.000 0.985 527 E CA 1.313 57.629 56.400 -0.140 0.000 0.801 527 E CB -0.426 29.223 29.700 -0.086 0.000 0.750 527 E HN 0.584 nan 8.360 nan 0.000 0.452 528 L N 0.201 121.268 121.223 -0.259 0.000 2.156 528 L HA -0.044 4.291 4.340 -0.009 0.000 0.208 528 L C 2.430 179.019 176.870 -0.468 0.000 1.095 528 L CA 1.161 55.865 54.840 -0.227 0.000 0.770 528 L CB -0.359 41.620 42.059 -0.134 0.000 0.914 528 L HN 0.180 nan 8.230 nan 0.000 0.439 529 E N 0.068 119.714 120.200 -0.923 0.000 2.160 529 E HA -0.211 4.133 4.350 -0.009 0.000 0.195 529 E C 2.175 178.540 176.600 -0.392 0.000 0.991 529 E CA 1.462 57.255 56.400 -1.011 0.000 0.810 529 E CB 0.008 29.224 29.700 -0.808 0.000 0.742 529 E HN 0.496 nan 8.360 nan 0.000 0.466 530 S N 0.215 115.760 115.700 -0.258 0.000 2.555 530 S HA -0.028 4.436 4.470 -0.009 0.000 0.230 530 S C 0.786 175.342 174.600 -0.073 0.000 0.978 530 S CA 0.110 58.231 58.200 -0.132 0.000 0.934 530 S CB 0.011 63.149 63.200 -0.104 0.000 0.766 530 S HN 0.038 nan 8.310 nan 0.000 0.533 531 R N 0.363 120.829 120.500 -0.056 0.000 2.598 531 R HA 0.587 4.921 4.340 -0.009 0.000 0.279 531 R C 1.758 178.084 176.300 0.045 0.000 0.984 531 R CA 0.264 56.367 56.100 0.004 0.000 0.999 531 R CB 0.420 30.735 30.300 0.026 0.000 1.114 531 R HN 0.270 nan 8.270 nan 0.000 0.493 532 E N 1.528 121.751 120.200 0.038 0.000 2.055 532 E HA -0.192 4.152 4.350 -0.009 0.000 0.209 532 E C 1.559 178.200 176.600 0.068 0.000 1.036 532 E CA 1.980 58.406 56.400 0.043 0.000 0.849 532 E CB -1.094 28.623 29.700 0.029 0.000 0.767 532 E HN 0.827 nan 8.360 nan 0.000 0.461 533 G N -0.961 107.882 108.800 0.072 0.000 3.383 533 G HA2 0.355 4.310 3.960 -0.009 0.000 0.251 533 G HA3 0.355 4.310 3.960 -0.009 0.000 0.251 533 G C 0.154 175.102 174.900 0.080 0.000 1.203 533 G CA -0.100 45.037 45.100 0.062 0.000 0.852 533 G HN 0.382 nan 8.290 nan 0.000 0.531 534 F N 1.506 121.447 119.950 -0.016 0.000 2.623 534 F HA 0.227 4.748 4.527 -0.009 0.000 0.383 534 F C 0.063 175.855 175.800 -0.013 0.000 1.077 534 F CA -0.633 57.352 58.000 -0.025 0.000 1.268 534 F CB 0.687 39.654 39.000 -0.054 0.000 1.053 534 F HN 0.150 nan 8.300 nan 0.000 0.571 535 D N 5.591 125.473 120.400 -0.864 0.000 2.620 535 D HA 0.206 4.841 4.640 -0.009 0.000 0.252 535 D C 0.400 176.144 176.300 -0.927 0.000 1.207 535 D CA -0.638 52.988 54.000 -0.623 0.000 0.884 535 D CB 1.138 41.766 40.800 -0.285 0.000 1.262 535 D HN 0.489 nan 8.370 nan 0.000 0.552 536 L N 4.853 125.677 121.223 -0.665 0.000 2.017 536 L HA -0.004 4.331 4.340 -0.009 0.000 0.208 536 L C 2.007 178.671 176.870 -0.343 0.000 1.073 536 L CA 1.879 56.459 54.840 -0.432 0.000 0.745 536 L CB -0.474 41.565 42.059 -0.033 0.000 0.894 536 L HN 0.550 nan 8.230 nan 0.000 0.432 537 K N -1.263 119.014 120.400 -0.203 0.000 2.097 537 K HA -0.127 4.187 4.320 -0.009 0.000 0.205 537 K C 2.039 178.586 176.600 -0.087 0.000 1.050 537 K CA 1.454 57.672 56.287 -0.116 0.000 0.938 537 K CB -0.062 32.398 32.500 -0.067 0.000 0.718 537 K HN 0.369 nan 8.250 nan 0.000 0.442 538 S N 0.603 116.233 115.700 -0.118 0.000 2.368 538 S HA -0.148 4.317 4.470 -0.009 0.000 0.225 538 S C 1.479 176.068 174.600 -0.019 0.000 1.030 538 S CA 1.309 59.468 58.200 -0.070 0.000 0.999 538 S CB -0.437 62.707 63.200 -0.092 0.000 0.844 538 S HN 0.441 nan 8.310 nan 0.000 0.459 539 F N 2.293 122.117 119.950 -0.211 0.000 2.102 539 F HA -0.154 4.367 4.527 -0.010 0.000 0.298 539 F C 2.063 177.897 175.800 0.057 0.000 1.105 539 F CA 1.756 59.708 58.000 -0.079 0.000 1.239 539 F CB -0.916 38.037 39.000 -0.078 0.000 0.991 539 F HN 0.304 nan 8.300 nan 0.000 0.474 540 H N -0.879 118.032 119.070 -0.265 0.000 2.319 540 H HA -0.144 4.406 4.556 -0.010 0.000 0.299 540 H C 2.467 177.669 175.328 -0.210 0.000 1.092 540 H CA 1.279 57.131 56.048 -0.327 0.000 1.302 540 H CB -0.257 29.348 29.762 -0.261 0.000 1.373 540 H HN 0.256 nan 8.280 nan 0.000 0.497 541 S N 0.340 116.049 115.700 0.015 0.000 2.356 541 S HA -0.167 4.297 4.470 -0.009 0.000 0.223 541 S C 1.974 176.558 174.600 -0.026 0.000 1.032 541 S CA 1.125 59.330 58.200 0.008 0.000 1.005 541 S CB -0.112 63.101 63.200 0.021 0.000 0.867 541 S HN 0.349 nan 8.310 nan 0.000 0.449 542 K N 1.286 121.664 120.400 -0.037 0.000 2.063 542 K HA -0.099 4.215 4.320 -0.009 0.000 0.208 542 K C 2.217 178.790 176.600 -0.045 0.000 1.048 542 K CA 1.240 57.516 56.287 -0.019 0.000 0.928 542 K CB -0.332 32.181 32.500 0.021 0.000 0.713 542 K HN 0.305 nan 8.250 nan 0.000 0.442 543 A N 1.172 123.913 122.820 -0.132 0.000 1.855 543 A HA -0.096 4.219 4.320 -0.009 0.000 0.215 543 A C 2.087 179.658 177.584 -0.022 0.000 1.191 543 A CA 1.220 53.199 52.037 -0.097 0.000 0.613 543 A CB -0.577 18.311 19.000 -0.187 0.000 0.829 543 A HN 0.313 nan 8.150 nan 0.000 0.442 544 L N -0.181 120.978 121.223 -0.107 0.000 2.217 544 L HA -0.120 4.215 4.340 -0.009 0.000 0.211 544 L C 1.805 178.649 176.870 -0.044 0.000 1.107 544 L CA 0.640 55.394 54.840 -0.142 0.000 0.783 544 L CB -0.599 41.278 42.059 -0.305 0.000 0.919 544 L HN 0.333 nan 8.230 nan 0.000 0.442 545 N N 0.475 119.167 118.700 -0.014 0.000 2.381 545 N HA -0.099 4.635 4.740 -0.009 0.000 0.182 545 N C 1.774 177.297 175.510 0.023 0.000 1.025 545 N CA 1.088 54.151 53.050 0.022 0.000 0.888 545 N CB -0.111 38.394 38.487 0.030 0.000 0.965 545 N HN 0.376 nan 8.380 nan 0.000 0.438 546 I N 0.049 120.628 120.570 0.015 0.000 2.546 546 I HA -0.056 4.108 4.170 -0.009 0.000 0.255 546 I C 1.414 177.521 176.117 -0.016 0.000 1.163 546 I CA 0.455 61.758 61.300 0.005 0.000 1.457 546 I CB -0.577 37.422 38.000 -0.002 0.000 1.092 546 I HN 0.141 nan 8.210 nan 0.000 0.434 547 G N 0.459 109.253 108.800 -0.011 0.000 2.698 547 G HA2 -0.290 3.664 3.960 -0.009 0.000 0.233 547 G HA3 -0.290 3.664 3.960 -0.009 0.000 0.233 547 G C -0.004 174.715 174.900 -0.302 0.000 1.352 547 G CA -0.156 44.910 45.100 -0.056 0.000 0.879 547 G HN 0.247 nan 8.290 nan 0.000 0.567 548 S N 0.010 115.487 115.700 -0.372 0.000 2.443 548 S HA 0.531 4.995 4.470 -0.009 0.000 0.284 548 S C 0.439 174.723 174.600 -0.527 0.000 1.206 548 S CA 0.385 58.145 58.200 -0.735 0.000 1.074 548 S CB -0.638 62.358 63.200 -0.340 0.000 0.963 548 S HN 2.030 nan 8.310 nan 0.000 0.501 549 V N 2.537 122.101 119.914 -0.583 0.000 3.181 549 V HA 0.946 5.060 4.120 -0.009 0.000 0.308 549 V C 0.506 176.487 176.094 -0.189 0.000 1.214 549 V CA -0.874 61.273 62.300 -0.254 0.000 1.053 549 V CB 0.989 32.727 31.823 -0.142 0.000 1.069 549 V HN 0.756 nan 8.190 nan 0.000 0.441 550 G N 0.169 108.905 108.800 -0.107 0.000 2.527 550 G HA2 0.409 4.363 3.960 -0.009 0.000 0.248 550 G HA3 0.409 4.363 3.960 -0.009 0.000 0.248 550 G C 0.515 175.360 174.900 -0.091 0.000 1.231 550 G CA -0.577 44.470 45.100 -0.088 0.000 0.838 550 G HN 0.789 nan 8.290 nan 0.000 0.570 551 L N 0.841 122.004 121.223 -0.100 0.000 2.131 551 L HA -0.068 4.267 4.340 -0.009 0.000 0.210 551 L C 2.277 179.067 176.870 -0.134 0.000 1.092 551 L CA 1.527 56.274 54.840 -0.155 0.000 0.759 551 L CB -0.695 41.275 42.059 -0.149 0.000 0.903 551 L HN 0.496 nan 8.230 nan 0.000 0.435 552 D N -0.531 119.815 120.400 -0.090 0.000 2.097 552 D HA -0.131 4.503 4.640 -0.009 0.000 0.195 552 D C 2.359 178.618 176.300 -0.068 0.000 0.989 552 D CA 0.884 54.841 54.000 -0.072 0.000 0.827 552 D CB 0.038 40.807 40.800 -0.051 0.000 0.966 552 D HN 0.084 nan 8.370 nan 0.000 0.456 553 V N 1.016 120.892 119.914 -0.063 0.000 2.343 553 V HA -0.213 3.901 4.120 -0.009 0.000 0.247 553 V C 2.494 178.549 176.094 -0.066 0.000 1.051 553 V CA 1.061 63.331 62.300 -0.050 0.000 1.036 553 V CB -0.430 31.374 31.823 -0.032 0.000 0.654 553 V HN 0.144 nan 8.190 nan 0.000 0.451 554 L N 0.317 121.477 121.223 -0.104 0.000 2.046 554 L HA -0.166 4.169 4.340 -0.009 0.000 0.208 554 L C 2.596 179.393 176.870 -0.122 0.000 1.077 554 L CA 2.180 56.934 54.840 -0.143 0.000 0.747 554 L CB -0.667 41.228 42.059 -0.273 0.000 0.896 554 L HN 0.227 nan 8.230 nan 0.000 0.432 555 R N -0.669 119.760 120.500 -0.119 0.000 2.070 555 R HA -0.155 4.180 4.340 -0.009 0.000 0.233 555 R C 2.448 178.727 176.300 -0.035 0.000 1.137 555 R CA 1.623 57.678 56.100 -0.074 0.000 0.945 555 R CB -0.256 29.998 30.300 -0.076 0.000 0.845 555 R HN 0.322 nan 8.270 nan 0.000 0.430 556 R N -0.206 120.271 120.500 -0.038 0.000 2.127 556 R HA -0.109 4.225 4.340 -0.009 0.000 0.238 556 R C 2.163 178.457 176.300 -0.010 0.000 1.134 556 R CA 1.305 57.392 56.100 -0.022 0.000 0.975 556 R CB -0.254 30.032 30.300 -0.025 0.000 0.865 556 R HN 0.313 nan 8.270 nan 0.000 0.447 557 A N 0.380 123.192 122.820 -0.014 0.000 2.066 557 A HA -0.012 4.302 4.320 -0.009 0.000 0.218 557 A C 1.923 179.521 177.584 0.023 0.000 1.157 557 A CA 0.860 52.897 52.037 -0.000 0.000 0.670 557 A CB -0.008 18.986 19.000 -0.010 0.000 0.804 557 A HN 0.176 nan 8.150 nan 0.000 0.453 558 L N -0.787 120.457 121.223 0.035 0.000 2.537 558 L HA 0.186 4.520 4.340 -0.009 0.000 0.224 558 L C 0.291 177.213 176.870 0.086 0.000 1.065 558 L CA -0.316 54.580 54.840 0.092 0.000 0.860 558 L CB -0.080 42.079 42.059 0.167 0.000 1.086 558 L HN 0.169 nan 8.230 nan 0.000 0.482 559 L N 0.000 121.251 121.223 0.046 0.000 2.949 559 L HA 0.000 4.334 4.340 -0.009 0.000 0.249 559 L CA 0.000 54.859 54.840 0.031 0.000 0.813 559 L CB 0.000 42.064 42.059 0.009 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502