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 1mcz_1_O DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVS 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.672 177.584 0.147 0.000 1.274 2 A CA 0.000 52.114 52.037 0.129 0.000 0.836 2 A CB 0.000 19.096 19.000 0.159 0.000 0.831 3 S N -0.152 115.657 115.700 0.182 0.000 2.713 3 S HA 0.578 5.048 4.470 0.000 0.000 0.283 3 S C 1.026 175.791 174.600 0.276 0.000 1.161 3 S CA -0.017 58.312 58.200 0.215 0.000 0.999 3 S CB 1.163 64.506 63.200 0.239 0.000 1.039 3 S HN 1.415 nan 8.310 nan 0.000 0.548 4 V N 1.527 121.611 119.914 0.284 0.000 2.392 4 V HA -0.211 3.909 4.120 0.000 0.000 0.249 4 V C 2.553 178.956 176.094 0.514 0.000 1.059 4 V CA 2.310 64.794 62.300 0.307 0.000 1.051 4 V CB -1.415 30.516 31.823 0.181 0.000 0.658 4 V HN 1.034 nan 8.190 nan 0.000 0.455 5 H N 0.811 120.199 119.070 0.531 0.000 2.267 5 H HA -0.167 4.389 4.556 0.000 0.000 0.297 5 H C 2.326 177.896 175.328 0.403 0.000 1.080 5 H CA 2.336 58.716 56.048 0.553 0.000 1.278 5 H CB -0.535 29.455 29.762 0.381 0.000 1.365 5 H HN 0.408 nan 8.280 nan 0.000 0.489 6 G N -0.464 108.608 108.800 0.453 0.000 2.446 6 G HA2 -0.273 3.687 3.960 0.000 0.000 0.217 6 G HA3 -0.273 3.687 3.960 0.000 0.000 0.217 6 G C 1.824 176.868 174.900 0.239 0.000 1.168 6 G CA 1.550 46.828 45.100 0.298 0.000 0.771 6 G HN 0.472 nan 8.290 nan 0.000 0.551 7 T N 0.929 115.655 114.554 0.287 0.000 2.759 7 T HA -0.120 4.230 4.350 0.000 0.000 0.269 7 T C 2.618 177.521 174.700 0.338 0.000 1.042 7 T CA 1.798 64.111 62.100 0.353 0.000 1.140 7 T CB -0.491 68.584 68.868 0.344 0.000 0.864 7 T HN 0.310 nan 8.240 nan 0.000 0.455 8 T N 0.850 115.570 114.554 0.277 0.000 2.737 8 T HA -0.066 4.284 4.350 0.000 0.000 0.265 8 T C 1.647 176.346 174.700 -0.002 0.000 1.038 8 T CA 1.132 63.349 62.100 0.196 0.000 1.144 8 T CB -0.541 68.513 68.868 0.311 0.000 0.866 8 T HN 0.442 nan 8.240 nan 0.000 0.434 9 Y N 1.212 121.454 120.300 -0.097 0.000 2.274 9 Y HA -0.101 4.449 4.550 0.000 0.000 0.290 9 Y C 2.657 178.491 175.900 -0.110 0.000 1.145 9 Y CA 1.168 59.094 58.100 -0.289 0.000 1.203 9 Y CB -0.135 37.982 38.460 -0.572 0.000 0.984 9 Y HN 0.177 nan 8.280 nan 0.000 0.533 10 E N 0.539 120.759 120.200 0.032 0.000 2.047 10 E HA -0.193 4.157 4.350 0.000 0.000 0.191 10 E C 2.027 178.502 176.600 -0.208 0.000 0.987 10 E CA 1.030 57.319 56.400 -0.185 0.000 0.799 10 E CB -0.562 28.865 29.700 -0.454 0.000 0.752 10 E HN 0.345 nan 8.360 nan 0.000 0.449 11 L N 0.310 121.561 121.223 0.047 0.000 2.012 11 L HA -0.144 4.196 4.340 0.000 0.000 0.210 11 L C 2.196 179.148 176.870 0.138 0.000 1.073 11 L CA 1.780 56.780 54.840 0.267 0.000 0.748 11 L CB -0.700 41.584 42.059 0.375 0.000 0.891 11 L HN 0.286 nan 8.230 nan 0.000 0.431 12 L N -0.341 120.943 121.223 0.101 0.000 1.989 12 L HA -0.254 4.086 4.340 0.000 0.000 0.211 12 L C 2.911 179.861 176.870 0.133 0.000 1.071 12 L CA 2.134 57.038 54.840 0.106 0.000 0.749 12 L CB -0.743 41.352 42.059 0.059 0.000 0.890 12 L HN 0.431 nan 8.230 nan 0.000 0.431 13 R N -0.304 120.315 120.500 0.198 0.000 2.081 13 R HA -0.122 4.218 4.340 0.000 0.000 0.235 13 R C 2.251 178.543 176.300 -0.013 0.000 1.131 13 R CA 0.884 57.004 56.100 0.032 0.000 0.960 13 R CB -0.524 29.816 30.300 0.066 0.000 0.856 13 R HN 0.187 nan 8.270 nan 0.000 0.436 14 R N 0.643 121.139 120.500 -0.007 0.000 2.193 14 R HA -0.022 4.318 4.340 0.000 0.000 0.229 14 R C 1.463 177.797 176.300 0.057 0.000 1.110 14 R CA 0.912 57.018 56.100 0.010 0.000 0.988 14 R CB -0.140 30.163 30.300 0.003 0.000 0.871 14 R HN 0.436 nan 8.270 nan 0.000 0.458 15 Q N -0.587 119.248 119.800 0.059 0.000 2.246 15 Q HA 0.148 4.488 4.340 0.000 0.000 0.202 15 Q C 0.703 176.718 176.000 0.025 0.000 0.883 15 Q CA 0.405 56.238 55.803 0.050 0.000 0.952 15 Q CB 0.904 29.663 28.738 0.035 0.000 1.078 15 Q HN 0.530 nan 8.270 nan 0.000 0.493 16 G N 1.123 109.925 108.800 0.005 0.000 2.159 16 G HA2 -0.265 3.695 3.960 0.000 0.000 0.256 16 G HA3 -0.265 3.695 3.960 0.000 0.000 0.256 16 G C 0.242 175.120 174.900 -0.036 0.000 0.977 16 G CA -0.055 45.035 45.100 -0.017 0.000 0.652 16 G HN 0.359 nan 8.290 nan 0.000 0.531 17 I N 1.483 122.030 120.570 -0.037 0.000 2.365 17 I HA 0.439 4.609 4.170 0.000 0.000 0.291 17 I C 0.677 176.593 176.117 -0.336 0.000 1.004 17 I CA 0.128 61.404 61.300 -0.039 0.000 1.311 17 I CB 1.340 39.385 38.000 0.075 0.000 1.401 17 I HN 0.248 nan 8.210 nan 0.000 0.491 18 D N 1.543 121.720 120.400 -0.372 0.000 2.497 18 D HA 0.077 4.717 4.640 0.000 0.000 0.256 18 D C -0.108 175.979 176.300 -0.355 0.000 1.273 18 D CA -0.034 53.477 54.000 -0.816 0.000 0.812 18 D CB 0.501 40.966 40.800 -0.557 0.000 1.190 18 D HN 0.278 nan 8.370 nan 0.000 0.524 19 T N 0.234 114.739 114.554 -0.082 0.000 2.881 19 T HA 0.582 4.932 4.350 0.000 0.000 0.290 19 T C -0.848 173.856 174.700 0.007 0.000 1.000 19 T CA -0.601 61.430 62.100 -0.115 0.000 0.978 19 T CB 2.528 71.161 68.868 -0.391 0.000 0.997 19 T HN -0.119 nan 8.240 nan 0.000 0.443 20 V N 3.958 123.868 119.914 -0.006 0.000 2.378 20 V HA 0.504 4.624 4.120 0.000 0.000 0.288 20 V C -0.994 174.870 176.094 -0.382 0.000 1.016 20 V CA -0.852 61.552 62.300 0.174 0.000 0.840 20 V CB 0.669 32.822 31.823 0.549 0.000 0.994 20 V HN 0.793 nan 8.190 nan 0.000 0.431 21 F N 3.249 123.152 119.950 -0.078 0.000 2.410 21 F HA 0.842 5.369 4.527 0.000 0.000 0.349 21 F C 0.900 176.571 175.800 -0.215 0.000 1.117 21 F CA -0.052 57.800 58.000 -0.246 0.000 1.104 21 F CB 1.831 40.743 39.000 -0.147 0.000 1.122 21 F HN 0.658 nan 8.300 nan 0.000 0.483 22 G N 2.179 110.860 108.800 -0.198 0.000 2.488 22 G HA2 0.273 4.233 3.960 0.000 0.000 0.301 22 G HA3 0.273 4.233 3.960 0.000 0.000 0.301 22 G C -2.221 172.768 174.900 0.148 0.000 1.339 22 G CA -0.914 44.199 45.100 0.021 0.000 0.803 22 G HN 0.523 nan 8.290 nan 0.000 0.482 23 N N 1.141 119.977 118.700 0.226 0.000 2.558 23 N HA 0.371 5.111 4.740 0.000 0.000 0.285 23 N C -2.787 172.843 175.510 0.200 0.000 1.112 23 N CA -1.152 52.021 53.050 0.206 0.000 0.857 23 N CB 3.008 41.573 38.487 0.129 0.000 1.376 23 N HN 0.372 nan 8.380 nan 0.000 0.526 24 P HA 0.233 nan 4.420 nan 0.000 0.269 24 P C -0.148 177.120 177.300 -0.053 0.000 1.217 24 P CA 0.203 63.352 63.100 0.081 0.000 0.783 24 P CB 1.226 32.919 31.700 -0.012 0.000 0.898 25 G N -0.604 108.139 108.800 -0.095 0.000 2.660 25 G HA2 0.367 4.327 3.960 0.000 0.000 0.290 25 G HA3 0.367 4.327 3.960 0.000 0.000 0.290 25 G C 0.746 175.555 174.900 -0.151 0.000 1.432 25 G CA 0.049 44.875 45.100 -0.457 0.000 0.807 25 G HN 0.429 nan 8.290 nan 0.000 0.485 26 S N 0.156 115.761 115.700 -0.159 0.000 2.368 26 S HA -0.166 4.304 4.470 0.000 0.000 0.225 26 S C 1.749 176.309 174.600 -0.066 0.000 1.030 26 S CA 1.730 59.878 58.200 -0.087 0.000 0.999 26 S CB -0.317 62.826 63.200 -0.095 0.000 0.844 26 S HN 0.437 nan 8.310 nan 0.000 0.459 27 N N 1.985 120.779 118.700 0.158 0.000 2.443 27 N HA -0.030 4.710 4.740 0.000 0.000 0.184 27 N C 1.115 176.799 175.510 0.289 0.000 1.037 27 N CA 1.295 54.476 53.050 0.218 0.000 0.896 27 N CB -0.338 38.337 38.487 0.312 0.000 0.959 27 N HN 0.635 nan 8.380 nan 0.000 0.442 28 E N -0.495 119.856 120.200 0.253 0.000 2.476 28 E HA 0.209 4.559 4.350 0.000 0.000 0.199 28 E C 1.762 178.483 176.600 0.201 0.000 1.021 28 E CA -0.151 56.420 56.400 0.285 0.000 0.907 28 E CB 0.053 29.932 29.700 0.298 0.000 0.974 28 E HN 0.225 nan 8.360 nan 0.000 0.489 29 L N 1.012 122.285 121.223 0.082 0.000 2.042 29 L HA -0.137 4.203 4.340 0.000 0.000 0.210 29 L C -0.653 176.245 176.870 0.046 0.000 1.076 29 L CA 1.488 56.337 54.840 0.014 0.000 0.749 29 L CB -1.387 40.640 42.059 -0.053 0.000 0.893 29 L HN 0.136 nan 8.230 nan 0.000 0.432 30 P HA -0.204 nan 4.420 nan 0.000 0.221 30 P C 1.315 178.689 177.300 0.124 0.000 1.145 30 P CA 1.306 64.530 63.100 0.206 0.000 0.795 30 P CB 0.007 31.987 31.700 0.466 0.000 0.775 31 F N -0.353 119.437 119.950 -0.268 0.000 2.262 31 F HA 0.075 4.602 4.527 0.000 0.000 0.292 31 F C 1.711 177.478 175.800 -0.055 0.000 1.081 31 F CA 1.027 58.636 58.000 -0.653 0.000 1.355 31 F CB -0.652 37.717 39.000 -1.051 0.000 1.069 31 F HN -0.289 nan 8.300 nan 0.000 0.506 32 L N 1.059 122.186 121.223 -0.161 0.000 2.313 32 L HA -0.039 4.301 4.340 0.000 0.000 0.214 32 L C 1.066 177.881 176.870 -0.092 0.000 1.119 32 L CA 0.246 54.984 54.840 -0.169 0.000 0.809 32 L CB -0.823 41.150 42.059 -0.143 0.000 0.933 32 L HN 0.044 nan 8.230 nan 0.000 0.449 33 K N 0.321 120.677 120.400 -0.074 0.000 2.469 33 K HA -0.074 4.246 4.320 0.000 0.000 0.274 33 K C -0.324 176.207 176.600 -0.116 0.000 0.983 33 K CA -0.080 56.148 56.287 -0.098 0.000 0.974 33 K CB 0.330 32.766 32.500 -0.107 0.000 0.913 33 K HN 0.008 nan 8.250 nan 0.000 0.493 34 D N 0.636 120.966 120.400 -0.117 0.000 2.723 34 D HA -0.212 4.428 4.640 0.000 0.000 0.236 34 D C -0.732 175.470 176.300 -0.163 0.000 1.138 34 D CA 0.761 54.678 54.000 -0.137 0.000 0.676 34 D CB -1.328 39.345 40.800 -0.212 0.000 1.069 34 D HN 0.506 nan 8.370 nan 0.000 0.430 35 F N 1.139 120.900 119.950 -0.316 0.000 2.590 35 F HA 0.156 4.684 4.527 0.000 0.000 0.389 35 F C -1.385 174.183 175.800 -0.386 0.000 1.049 35 F CA -1.349 56.392 58.000 -0.432 0.000 1.199 35 F CB 0.306 39.140 39.000 -0.277 0.000 1.058 35 F HN -0.137 nan 8.300 nan 0.000 0.556 36 P HA -0.045 nan 4.420 nan 0.000 0.265 36 P C 0.280 177.400 177.300 -0.301 0.000 1.187 36 P CA 0.289 63.045 63.100 -0.573 0.000 0.766 36 P CB 0.479 31.760 31.700 -0.698 0.000 0.820 37 E N 1.500 121.622 120.200 -0.129 0.000 2.347 37 E HA -0.144 4.206 4.350 0.000 0.000 0.196 37 E C 0.729 177.319 176.600 -0.016 0.000 1.008 37 E CA 0.857 57.232 56.400 -0.042 0.000 0.852 37 E CB -0.072 29.609 29.700 -0.032 0.000 0.783 37 E HN 0.618 nan 8.360 nan 0.000 0.505 38 D N -0.275 120.125 120.400 -0.001 0.000 2.328 38 D HA -0.025 4.615 4.640 0.000 0.000 0.221 38 D C 0.046 176.278 176.300 -0.114 0.000 1.072 38 D CA -0.003 53.975 54.000 -0.036 0.000 0.850 38 D CB -0.142 40.628 40.800 -0.051 0.000 0.922 38 D HN -0.039 nan 8.370 nan 0.000 0.516 39 F N 1.127 120.926 119.950 -0.251 0.000 2.556 39 F HA 0.485 5.012 4.527 0.000 0.000 0.327 39 F C 0.619 176.408 175.800 -0.019 0.000 1.059 39 F CA -1.165 56.681 58.000 -0.257 0.000 0.953 39 F CB 1.729 40.335 39.000 -0.657 0.000 1.227 39 F HN -0.220 nan 8.300 nan 0.000 0.478 40 R N 1.007 121.685 120.500 0.297 0.000 2.744 40 R HA 0.577 4.917 4.340 0.000 0.000 0.279 40 R C -2.239 174.268 176.300 0.346 0.000 0.977 40 R CA -0.883 55.406 56.100 0.315 0.000 0.906 40 R CB 1.780 32.103 30.300 0.038 0.000 1.197 40 R HN 0.685 nan 8.270 nan 0.000 0.463 41 Y N 3.213 123.560 120.300 0.077 0.000 2.341 41 Y HA 0.463 5.013 4.550 0.000 0.000 0.337 41 Y C -0.848 174.898 175.900 -0.257 0.000 1.014 41 Y CA -1.211 56.799 58.100 -0.150 0.000 1.111 41 Y CB 1.461 39.664 38.460 -0.430 0.000 1.194 41 Y HN 0.523 nan 8.280 nan 0.000 0.462 42 I N 8.069 128.209 120.570 -0.717 0.000 2.354 42 I HA 0.194 4.364 4.170 0.000 0.000 0.286 42 I C -0.860 175.055 176.117 -0.336 0.000 1.007 42 I CA -0.782 60.123 61.300 -0.658 0.000 1.167 42 I CB 0.984 38.522 38.000 -0.771 0.000 1.320 42 I HN 0.507 nan 8.210 nan 0.000 0.458 43 L N 6.763 128.113 121.223 0.212 0.000 2.312 43 L HA 0.798 5.138 4.340 0.000 0.000 0.281 43 L C -0.071 177.051 176.870 0.420 0.000 1.070 43 L CA 0.138 55.215 54.840 0.396 0.000 0.805 43 L CB 1.335 43.768 42.059 0.623 0.000 1.174 43 L HN 0.695 nan 8.230 nan 0.000 0.434 44 A N 4.860 127.847 122.820 0.279 0.000 2.401 44 A HA 0.541 4.861 4.320 0.000 0.000 0.310 44 A C 0.393 178.048 177.584 0.118 0.000 1.075 44 A CA -0.635 51.540 52.037 0.230 0.000 0.746 44 A CB 1.085 20.174 19.000 0.148 0.000 1.277 44 A HN 0.867 nan 8.150 nan 0.000 0.425 45 L N 0.016 121.251 121.223 0.020 0.000 2.376 45 L HA 0.059 4.399 4.340 0.000 0.000 0.219 45 L C 0.946 177.787 176.870 -0.047 0.000 1.133 45 L CA 0.970 55.744 54.840 -0.110 0.000 0.816 45 L CB -0.023 41.881 42.059 -0.259 0.000 0.933 45 L HN 0.705 nan 8.230 nan 0.000 0.449 46 Q N -0.561 119.239 119.800 -0.001 0.000 2.340 46 Q HA 0.112 4.452 4.340 0.000 0.000 0.276 46 Q C -0.148 175.879 176.000 0.045 0.000 1.048 46 Q CA -0.296 55.519 55.803 0.020 0.000 0.832 46 Q CB 2.349 31.096 28.738 0.015 0.000 1.373 46 Q HN -0.024 nan 8.270 nan 0.000 0.409 47 E N 1.428 121.662 120.200 0.057 0.000 2.147 47 E HA -0.220 4.130 4.350 0.000 0.000 0.199 47 E C 1.527 178.161 176.600 0.056 0.000 1.005 47 E CA 2.023 58.462 56.400 0.066 0.000 0.810 47 E CB -0.017 29.726 29.700 0.072 0.000 0.736 47 E HN 0.664 nan 8.360 nan 0.000 0.460 48 A N -0.031 122.822 122.820 0.054 0.000 1.972 48 A HA -0.198 4.122 4.320 0.000 0.000 0.219 48 A C 2.291 179.905 177.584 0.049 0.000 1.169 48 A CA 1.406 53.477 52.037 0.057 0.000 0.635 48 A CB -0.719 18.324 19.000 0.072 0.000 0.810 48 A HN 0.427 nan 8.150 nan 0.000 0.446 49 C N -1.602 117.724 119.300 0.043 0.000 2.486 49 C HA 0.031 4.491 4.460 0.000 0.000 0.279 49 C C 2.651 177.659 174.990 0.029 0.000 1.302 49 C CA 0.587 59.624 59.018 0.032 0.000 1.720 49 C CB -1.165 26.593 27.740 0.031 0.000 2.030 49 C HN 0.438 nan 8.230 nan 0.000 0.490 50 V N 1.254 121.198 119.914 0.049 0.000 2.233 50 V HA -0.227 3.893 4.120 0.000 0.000 0.247 50 V C 2.479 178.574 176.094 0.001 0.000 1.050 50 V CA 2.364 64.699 62.300 0.059 0.000 1.010 50 V CB -0.817 31.055 31.823 0.081 0.000 0.637 50 V HN 0.447 nan 8.190 nan 0.000 0.444 51 V N 0.747 120.665 119.914 0.007 0.000 2.407 51 V HA -0.155 3.965 4.120 0.000 0.000 0.248 51 V C 2.602 178.670 176.094 -0.044 0.000 1.055 51 V CA 2.019 64.308 62.300 -0.018 0.000 1.049 51 V CB -1.408 30.430 31.823 0.026 0.000 0.662 51 V HN 0.630 nan 8.190 nan 0.000 0.455 52 G N 0.075 108.863 108.800 -0.020 0.000 2.421 52 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 52 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 52 G C 1.570 176.371 174.900 -0.164 0.000 1.171 52 G CA 1.077 46.150 45.100 -0.045 0.000 0.775 52 G HN 0.481 nan 8.290 nan 0.000 0.543 53 I N 1.379 121.851 120.570 -0.164 0.000 2.179 53 I HA -0.187 3.983 4.170 0.000 0.000 0.242 53 I C 3.329 179.167 176.117 -0.466 0.000 1.088 53 I CA 1.049 62.219 61.300 -0.216 0.000 1.357 53 I CB -0.317 37.634 38.000 -0.081 0.000 1.051 53 I HN 0.249 nan 8.210 nan 0.000 0.409 54 A N 0.277 122.666 122.820 -0.718 0.000 1.940 54 A HA -0.296 4.024 4.320 0.000 0.000 0.219 54 A C 2.078 179.412 177.584 -0.417 0.000 1.176 54 A CA 2.200 53.583 52.037 -1.091 0.000 0.631 54 A CB -0.666 17.872 19.000 -0.770 0.000 0.814 54 A HN 0.445 nan 8.150 nan 0.000 0.446 55 D N -0.341 119.935 120.400 -0.206 0.000 2.104 55 D HA -0.100 4.540 4.640 0.000 0.000 0.194 55 D C 2.101 178.367 176.300 -0.058 0.000 0.994 55 D CA 1.746 55.724 54.000 -0.037 0.000 0.830 55 D CB -0.628 40.248 40.800 0.126 0.000 0.959 55 D HN 0.316 nan 8.370 nan 0.000 0.452 56 G N -0.951 107.754 108.800 -0.159 0.000 2.418 56 G HA2 -0.317 3.643 3.960 0.000 0.000 0.217 56 G HA3 -0.317 3.643 3.960 0.000 0.000 0.217 56 G C 1.696 176.482 174.900 -0.190 0.000 1.158 56 G CA 0.931 45.868 45.100 -0.271 0.000 0.771 56 G HN 0.371 nan 8.290 nan 0.000 0.545 57 Y N 1.973 122.116 120.300 -0.262 0.000 2.165 57 Y HA -0.033 4.517 4.550 0.000 0.000 0.286 57 Y C 2.929 178.773 175.900 -0.092 0.000 1.155 57 Y CA 1.489 59.495 58.100 -0.157 0.000 1.164 57 Y CB -0.325 38.033 38.460 -0.170 0.000 0.978 57 Y HN 0.253 nan 8.280 nan 0.000 0.513 58 A N 0.016 122.840 122.820 0.006 0.000 1.873 58 A HA -0.221 4.099 4.320 0.000 0.000 0.215 58 A C 2.118 179.679 177.584 -0.039 0.000 1.186 58 A CA 1.833 53.867 52.037 -0.005 0.000 0.616 58 A CB -0.751 18.276 19.000 0.045 0.000 0.823 58 A HN 0.638 nan 8.150 nan 0.000 0.442 59 Q N -0.704 119.076 119.800 -0.032 0.000 2.124 59 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 59 Q C 2.398 178.426 176.000 0.045 0.000 0.977 59 Q CA 1.446 57.270 55.803 0.035 0.000 0.850 59 Q CB -0.340 28.434 28.738 0.060 0.000 0.901 59 Q HN 0.691 nan 8.270 nan 0.000 0.429 60 A N 1.059 123.830 122.820 -0.082 0.000 1.898 60 A HA -0.126 4.194 4.320 0.000 0.000 0.214 60 A C 2.237 179.774 177.584 -0.079 0.000 1.183 60 A CA 1.473 53.495 52.037 -0.024 0.000 0.622 60 A CB -0.453 18.485 19.000 -0.103 0.000 0.824 60 A HN 0.422 nan 8.150 nan 0.000 0.444 61 S N -1.242 114.331 115.700 -0.212 0.000 2.481 61 S HA -0.046 4.424 4.470 0.000 0.000 0.231 61 S C 0.967 175.501 174.600 -0.110 0.000 0.996 61 S CA 0.691 58.748 58.200 -0.238 0.000 0.942 61 S CB -0.368 62.537 63.200 -0.492 0.000 0.768 61 S HN 0.521 nan 8.310 nan 0.000 0.520 62 R N 0.369 120.835 120.500 -0.057 0.000 3.641 62 R HA -0.117 4.223 4.340 0.000 0.000 0.286 62 R C -0.890 175.406 176.300 -0.006 0.000 1.153 62 R CA 0.998 57.094 56.100 -0.007 0.000 0.775 62 R CB -1.969 28.336 30.300 0.008 0.000 1.215 62 R HN 0.565 nan 8.270 nan 0.000 0.474 63 K N -0.059 120.333 120.400 -0.014 0.000 2.512 63 K HA 0.433 4.753 4.320 0.000 0.000 0.263 63 K C -2.559 174.075 176.600 0.056 0.000 0.966 63 K CA -2.014 54.283 56.287 0.017 0.000 0.851 63 K CB 2.601 35.108 32.500 0.011 0.000 1.395 63 K HN -0.218 nan 8.250 nan 0.000 0.440 64 P HA 0.042 nan 4.420 nan 0.000 0.269 64 P C -1.288 176.137 177.300 0.208 0.000 1.215 64 P CA -0.212 62.961 63.100 0.121 0.000 0.780 64 P CB 0.832 32.595 31.700 0.106 0.000 0.898 65 A N 2.917 125.873 122.820 0.227 0.000 2.342 65 A HA 0.565 4.885 4.320 0.000 0.000 0.323 65 A C -1.102 176.688 177.584 0.343 0.000 1.125 65 A CA -0.656 51.584 52.037 0.338 0.000 0.785 65 A CB 0.501 19.630 19.000 0.215 0.000 1.221 65 A HN 0.502 nan 8.150 nan 0.000 0.463 66 F N 2.747 122.883 119.950 0.310 0.000 2.408 66 F HA 0.706 5.233 4.527 0.000 0.000 0.344 66 F C -0.405 175.579 175.800 0.307 0.000 1.112 66 F CA -0.490 57.668 58.000 0.264 0.000 1.096 66 F CB 0.695 39.847 39.000 0.254 0.000 1.129 66 F HN 0.430 nan 8.300 nan 0.000 0.486 67 I N 4.740 125.103 120.570 -0.344 0.000 2.608 67 I HA 0.311 4.481 4.170 0.000 0.000 0.295 67 I C -1.161 174.770 176.117 -0.311 0.000 1.049 67 I CA -0.990 60.226 61.300 -0.140 0.000 1.063 67 I CB 2.237 40.203 38.000 -0.056 0.000 1.248 67 I HN 0.523 nan 8.210 nan 0.000 0.424 68 N N 6.026 124.729 118.700 0.005 0.000 2.540 68 N HA 0.570 5.310 4.740 0.000 0.000 0.275 68 N C -1.587 174.009 175.510 0.143 0.000 1.053 68 N CA -0.327 52.775 53.050 0.086 0.000 0.876 68 N CB 1.013 39.723 38.487 0.372 0.000 1.284 68 N HN 0.474 nan 8.380 nan 0.000 0.518 69 L N 1.091 122.378 121.223 0.106 0.000 2.304 69 L HA 0.486 4.826 4.340 0.000 0.000 0.268 69 L C -0.257 176.730 176.870 0.195 0.000 1.010 69 L CA -1.238 53.695 54.840 0.154 0.000 0.813 69 L CB 1.235 43.375 42.059 0.136 0.000 1.315 69 L HN 0.570 nan 8.230 nan 0.000 0.445 70 H N 0.471 119.602 119.070 0.103 0.000 2.641 70 H HA 0.310 4.866 4.556 0.000 0.000 0.295 70 H C 0.296 175.681 175.328 0.094 0.000 1.070 70 H CA 0.635 56.742 56.048 0.098 0.000 1.257 70 H CB 0.735 30.546 29.762 0.082 0.000 1.393 70 H HN 0.698 nan 8.280 nan 0.000 0.464 71 S N 2.957 118.492 115.700 -0.276 0.000 2.865 71 S HA -0.379 4.091 4.470 0.000 0.000 0.630 71 S C 1.784 176.346 174.600 -0.063 0.000 3.160 71 S CA 1.629 59.697 58.200 -0.220 0.000 3.629 71 S CB -1.265 61.680 63.200 -0.424 0.000 0.312 71 S HN 1.109 nan 8.310 nan 0.000 1.632 72 A N 0.514 123.300 122.820 -0.057 0.000 1.858 72 A HA 0.252 4.572 4.320 0.000 0.000 0.216 72 A C 2.691 180.272 177.584 -0.005 0.000 1.190 72 A CA 2.812 54.840 52.037 -0.015 0.000 0.617 72 A CB -1.642 17.345 19.000 -0.022 0.000 0.827 72 A HN 1.773 nan 8.150 nan 0.000 0.443 73 A N -0.463 122.357 122.820 -0.000 0.000 1.892 73 A HA 0.035 4.355 4.320 0.000 0.000 0.218 73 A C 2.439 180.057 177.584 0.057 0.000 1.188 73 A CA 2.218 54.276 52.037 0.035 0.000 0.631 73 A CB -1.495 17.546 19.000 0.067 0.000 0.822 73 A HN 0.779 nan 8.150 nan 0.000 0.447 74 G N -1.387 107.463 108.800 0.083 0.000 2.421 74 G HA2 -0.142 3.818 3.960 0.000 0.000 0.216 74 G HA3 -0.142 3.818 3.960 0.000 0.000 0.216 74 G C 1.591 176.541 174.900 0.083 0.000 1.171 74 G CA 1.652 46.818 45.100 0.111 0.000 0.775 74 G HN 0.435 nan 8.290 nan 0.000 0.543 75 T N 1.069 115.669 114.554 0.077 0.000 2.708 75 T HA -0.061 4.289 4.350 0.000 0.000 0.266 75 T C 2.503 177.200 174.700 -0.005 0.000 1.037 75 T CA 1.533 63.668 62.100 0.058 0.000 1.146 75 T CB -0.693 68.208 68.868 0.054 0.000 0.865 75 T HN 0.361 nan 8.240 nan 0.000 0.435 76 G N 2.273 111.067 108.800 -0.011 0.000 2.476 76 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 76 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 76 G C 1.589 176.490 174.900 0.001 0.000 1.164 76 G CA 0.786 45.873 45.100 -0.020 0.000 0.768 76 G HN 0.403 nan 8.290 nan 0.000 0.560 77 N N 1.015 119.730 118.700 0.024 0.000 2.443 77 N HA -0.001 4.739 4.740 0.000 0.000 0.184 77 N C 1.915 177.446 175.510 0.036 0.000 1.037 77 N CA 0.966 54.037 53.050 0.035 0.000 0.896 77 N CB -0.111 38.404 38.487 0.048 0.000 0.959 77 N HN 0.370 nan 8.380 nan 0.000 0.442 78 A N -0.333 122.504 122.820 0.029 0.000 2.348 78 A HA 0.183 4.503 4.320 0.000 0.000 0.224 78 A C 1.872 179.462 177.584 0.010 0.000 1.227 78 A CA -0.122 51.933 52.037 0.031 0.000 0.885 78 A CB 0.038 19.064 19.000 0.043 0.000 0.933 78 A HN -0.005 nan 8.150 nan 0.000 0.506 79 M N -0.137 119.455 119.600 -0.012 0.000 2.108 79 M HA -0.131 4.349 4.480 0.000 0.000 0.261 79 M C 2.196 178.482 176.300 -0.023 0.000 1.066 79 M CA 1.702 56.980 55.300 -0.037 0.000 1.107 79 M CB -1.671 30.895 32.600 -0.056 0.000 1.356 79 M HN 0.473 nan 8.290 nan 0.000 0.406 80 G N -0.125 108.673 108.800 -0.004 0.000 2.418 80 G HA2 -0.072 3.888 3.960 0.000 0.000 0.217 80 G HA3 -0.072 3.888 3.960 0.000 0.000 0.217 80 G C 1.683 176.584 174.900 0.002 0.000 1.158 80 G CA 1.242 46.340 45.100 -0.004 0.000 0.771 80 G HN 0.550 nan 8.290 nan 0.000 0.545 81 A N 0.580 123.418 122.820 0.029 0.000 1.902 81 A HA 0.089 4.409 4.320 0.000 0.000 0.217 81 A C 2.407 180.018 177.584 0.045 0.000 1.181 81 A CA 1.214 53.283 52.037 0.055 0.000 0.623 81 A CB -0.398 18.643 19.000 0.069 0.000 0.818 81 A HN 0.357 nan 8.150 nan 0.000 0.443 82 L N 0.521 121.764 121.223 0.033 0.000 2.201 82 L HA -0.169 4.171 4.340 0.000 0.000 0.212 82 L C 2.983 179.890 176.870 0.062 0.000 1.105 82 L CA 1.413 56.283 54.840 0.051 0.000 0.775 82 L CB -0.480 41.595 42.059 0.027 0.000 0.913 82 L HN 0.663 nan 8.230 nan 0.000 0.440 83 S N -0.407 115.300 115.700 0.012 0.000 2.382 83 S HA -0.162 4.308 4.470 0.000 0.000 0.228 83 S C 1.759 176.377 174.600 0.030 0.000 1.027 83 S CA 1.140 59.343 58.200 0.004 0.000 0.991 83 S CB -0.334 62.839 63.200 -0.046 0.000 0.823 83 S HN 0.431 nan 8.310 nan 0.000 0.469 84 N N 2.519 121.201 118.700 -0.030 0.000 2.135 84 N HA 0.100 4.840 4.740 0.000 0.000 0.186 84 N C 2.123 177.590 175.510 -0.072 0.000 1.027 84 N CA 1.480 54.456 53.050 -0.123 0.000 0.849 84 N CB -1.027 37.301 38.487 -0.266 0.000 1.002 84 N HN 0.590 nan 8.380 nan 0.000 0.425 85 A N 1.573 124.396 122.820 0.005 0.000 1.948 85 A HA -0.188 4.132 4.320 0.000 0.000 0.220 85 A C 2.046 179.674 177.584 0.074 0.000 1.177 85 A CA 1.246 53.309 52.037 0.044 0.000 0.636 85 A CB -1.125 17.927 19.000 0.087 0.000 0.815 85 A HN 0.615 nan 8.150 nan 0.000 0.449 86 W N 1.049 122.318 121.300 -0.051 0.000 2.358 86 W HA -0.188 4.472 4.660 0.000 0.000 0.303 86 W C 1.370 177.816 176.519 -0.121 0.000 1.208 86 W CA 1.991 59.310 57.345 -0.044 0.000 1.274 86 W CB -0.491 28.947 29.460 -0.037 0.000 1.138 86 W HN 0.415 nan 8.180 nan 0.000 0.515 87 N N 0.291 118.996 118.700 0.008 0.000 2.396 87 N HA -0.142 4.598 4.740 0.000 0.000 0.180 87 N C 1.760 177.073 175.510 -0.328 0.000 1.028 87 N CA 1.985 54.939 53.050 -0.161 0.000 0.893 87 N CB -0.412 38.050 38.487 -0.042 0.000 0.967 87 N HN 0.133 nan 8.380 nan 0.000 0.440 88 S N -1.595 113.965 115.700 -0.234 0.000 2.556 88 S HA 0.099 4.569 4.470 0.000 0.000 0.216 88 S C -0.117 174.430 174.600 -0.090 0.000 0.970 88 S CA -0.317 57.789 58.200 -0.156 0.000 0.912 88 S CB -0.529 62.632 63.200 -0.065 0.000 0.790 88 S HN 0.396 nan 8.310 nan 0.000 0.504 89 H N 0.878 119.874 119.070 -0.123 0.000 2.791 89 H HA -0.130 4.426 4.556 0.000 0.000 0.302 89 H C -0.674 174.620 175.328 -0.057 0.000 1.198 89 H CA 0.387 56.351 56.048 -0.141 0.000 1.145 89 H CB -2.139 27.550 29.762 -0.121 0.000 1.385 89 H HN 0.374 nan 8.280 nan 0.000 0.409 90 S N 2.522 118.260 115.700 0.063 0.000 2.481 90 S HA 0.117 4.587 4.470 0.000 0.000 0.276 90 S C -1.812 172.829 174.600 0.070 0.000 1.247 90 S CA -0.995 57.246 58.200 0.069 0.000 1.053 90 S CB 0.926 64.164 63.200 0.064 0.000 0.925 90 S HN 0.212 nan 8.310 nan 0.000 0.491 91 P HA 0.188 nan 4.420 nan 0.000 0.263 91 P C -1.045 176.306 177.300 0.084 0.000 1.601 91 P CA 0.002 63.143 63.100 0.069 0.000 1.161 91 P CB -0.180 31.554 31.700 0.057 0.000 1.730 92 L N 4.509 125.786 121.223 0.090 0.000 2.313 92 L HA 0.504 4.844 4.340 0.000 0.000 0.283 92 L C 0.709 177.633 176.870 0.090 0.000 1.013 92 L CA -0.979 53.912 54.840 0.085 0.000 0.816 92 L CB 1.913 44.013 42.059 0.068 0.000 1.236 92 L HN 0.157 nan 8.230 nan 0.000 0.419 93 I N 4.244 124.854 120.570 0.066 0.000 2.310 93 I HA 0.185 4.355 4.170 0.000 0.000 0.287 93 I C -0.280 175.747 176.117 -0.150 0.000 1.073 93 I CA -0.523 60.790 61.300 0.021 0.000 1.216 93 I CB 1.181 39.238 38.000 0.096 0.000 1.415 93 I HN 0.251 nan 8.210 nan 0.000 0.480 94 V N 5.280 125.164 119.914 -0.050 0.000 2.368 94 V HA 0.256 4.376 4.120 0.000 0.000 0.266 94 V C 0.628 176.607 176.094 -0.193 0.000 1.045 94 V CA -0.335 61.925 62.300 -0.068 0.000 0.899 94 V CB 0.956 32.873 31.823 0.157 0.000 1.006 94 V HN 0.793 nan 8.190 nan 0.000 0.470 95 T N 2.321 116.677 114.554 -0.330 0.000 2.823 95 T HA 0.863 5.214 4.350 0.000 0.000 0.279 95 T C -0.417 174.146 174.700 -0.229 0.000 0.998 95 T CA -0.540 61.355 62.100 -0.343 0.000 0.994 95 T CB 1.975 70.635 68.868 -0.345 0.000 0.960 95 T HN 0.949 nan 8.240 nan 0.000 0.448 96 A N 2.011 124.675 122.820 -0.261 0.000 2.393 96 A HA 0.864 5.184 4.320 0.000 0.000 0.306 96 A C 0.381 177.946 177.584 -0.032 0.000 1.050 96 A CA -0.726 51.262 52.037 -0.083 0.000 0.724 96 A CB 1.249 20.249 19.000 -0.000 0.000 1.248 96 A HN 1.336 nan 8.150 nan 0.000 0.424 97 G N 0.604 109.450 108.800 0.076 0.000 2.378 97 G HA2 0.462 4.422 3.960 0.000 0.000 0.255 97 G HA3 0.462 4.422 3.960 0.000 0.000 0.255 97 G C -0.125 174.828 174.900 0.089 0.000 1.270 97 G CA 0.040 45.234 45.100 0.157 0.000 0.876 97 G HN 0.841 nan 8.290 nan 0.000 0.521 98 Q N 0.588 120.453 119.800 0.108 0.000 2.241 98 Q HA 0.339 4.679 4.340 0.000 0.000 0.262 98 Q C 0.332 176.416 176.000 0.141 0.000 1.014 98 Q CA -0.651 55.185 55.803 0.055 0.000 0.885 98 Q CB 1.035 29.761 28.738 -0.021 0.000 1.311 98 Q HN 0.506 nan 8.270 nan 0.000 0.461 99 Q N 0.244 120.095 119.800 0.087 0.000 2.535 99 Q HA 0.092 4.432 4.340 0.000 0.000 0.228 99 Q C -0.553 175.360 176.000 -0.144 0.000 1.062 99 Q CA 0.239 56.110 55.803 0.112 0.000 0.967 99 Q CB 0.735 29.511 28.738 0.064 0.000 1.273 99 Q HN 0.830 nan 8.270 nan 0.000 0.554 100 T N 0.626 114.902 114.554 -0.463 0.000 2.916 100 T HA 0.043 4.393 4.350 0.000 0.000 0.303 100 T C 1.282 175.811 174.700 -0.286 0.000 1.025 100 T CA 0.042 61.734 62.100 -0.680 0.000 1.142 100 T CB 0.337 68.709 68.868 -0.827 0.000 0.947 100 T HN 0.505 nan 8.240 nan 0.000 0.544 101 R N 3.247 123.608 120.500 -0.233 0.000 2.154 101 R HA -0.173 4.167 4.340 0.000 0.000 0.248 101 R C 2.496 178.732 176.300 -0.106 0.000 1.155 101 R CA 1.577 57.591 56.100 -0.143 0.000 0.979 101 R CB -0.539 29.686 30.300 -0.125 0.000 0.869 101 R HN 0.759 nan 8.270 nan 0.000 0.452 102 A N 0.131 122.885 122.820 -0.110 0.000 2.121 102 A HA -0.045 4.275 4.320 0.000 0.000 0.218 102 A C 1.719 179.274 177.584 -0.049 0.000 1.154 102 A CA 1.020 53.017 52.037 -0.068 0.000 0.679 102 A CB -0.020 18.946 19.000 -0.057 0.000 0.795 102 A HN 0.198 nan 8.150 nan 0.000 0.458 103 M N -1.259 118.307 119.600 -0.057 0.000 2.416 103 M HA 0.317 4.797 4.480 0.000 0.000 0.337 103 M C 0.884 177.170 176.300 -0.023 0.000 1.074 103 M CA 0.124 55.409 55.300 -0.025 0.000 0.968 103 M CB 0.261 32.862 32.600 0.001 0.000 1.472 103 M HN 0.303 nan 8.290 nan 0.000 0.539 104 I N 0.165 120.710 120.570 -0.041 0.000 2.439 104 I HA -0.098 4.072 4.170 0.000 0.000 0.251 104 I C 2.448 178.547 176.117 -0.029 0.000 1.139 104 I CA 1.224 62.501 61.300 -0.037 0.000 1.438 104 I CB -0.438 37.529 38.000 -0.055 0.000 1.085 104 I HN 0.371 nan 8.210 nan 0.000 0.427 105 G N 1.221 110.004 108.800 -0.029 0.000 2.446 105 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 105 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 105 G C 1.627 176.518 174.900 -0.015 0.000 1.168 105 G CA 1.320 46.407 45.100 -0.023 0.000 0.771 105 G HN 0.381 nan 8.290 nan 0.000 0.551 106 V N -2.286 117.622 119.914 -0.010 0.000 3.380 106 V HA 0.243 4.363 4.120 0.000 0.000 0.268 106 V C 0.709 176.802 176.094 -0.001 0.000 1.168 106 V CA 0.960 63.257 62.300 -0.004 0.000 1.156 106 V CB -0.813 31.010 31.823 0.001 0.000 0.785 106 V HN 0.513 nan 8.190 nan 0.000 0.487 107 E N -0.047 120.151 120.200 -0.003 0.000 2.257 107 E HA -0.170 4.180 4.350 0.000 0.000 0.217 107 E C 0.553 177.159 176.600 0.010 0.000 1.248 107 E CA 0.182 56.582 56.400 -0.000 0.000 0.691 107 E CB -1.386 28.312 29.700 -0.003 0.000 1.185 107 E HN 1.002 nan 8.360 nan 0.000 0.377 108 A N 0.863 123.693 122.820 0.018 0.000 2.386 108 A HA 0.362 4.682 4.320 0.000 0.000 0.246 108 A C 0.443 178.050 177.584 0.038 0.000 1.089 108 A CA -0.289 51.767 52.037 0.031 0.000 0.790 108 A CB 0.416 19.442 19.000 0.044 0.000 1.042 108 A HN 0.371 nan 8.150 nan 0.000 0.497 109 L N 0.731 121.981 121.223 0.045 0.000 2.543 109 L HA 0.067 4.407 4.340 0.000 0.000 0.285 109 L C 0.842 177.751 176.870 0.066 0.000 1.236 109 L CA 1.420 56.290 54.840 0.050 0.000 0.871 109 L CB -0.318 41.774 42.059 0.055 0.000 1.121 109 L HN 0.740 nan 8.230 nan 0.000 0.501 110 L N 1.473 122.728 121.223 0.053 0.000 4.892 110 L HA -0.213 4.127 4.340 0.000 0.000 0.403 110 L C 0.271 177.148 176.870 0.012 0.000 0.913 110 L CA 0.453 55.315 54.840 0.037 0.000 1.653 110 L CB -2.445 39.677 42.059 0.105 0.000 1.780 110 L HN 0.763 nan 8.230 nan 0.000 0.597 111 T N 1.026 115.591 114.554 0.017 0.000 2.814 111 T HA 0.164 4.515 4.350 0.000 0.000 0.297 111 T C 0.599 175.292 174.700 -0.013 0.000 0.956 111 T CA -0.026 62.077 62.100 0.005 0.000 1.123 111 T CB 1.064 69.933 68.868 0.002 0.000 0.902 111 T HN 0.132 nan 8.240 nan 0.000 0.528 112 N N 3.971 122.660 118.700 -0.019 0.000 2.482 112 N HA 0.120 4.860 4.740 0.000 0.000 0.242 112 N C -0.490 175.009 175.510 -0.020 0.000 1.100 112 N CA -0.258 52.782 53.050 -0.016 0.000 0.946 112 N CB 0.239 38.727 38.487 0.000 0.000 1.227 112 N HN 0.281 nan 8.380 nan 0.000 0.508 113 V N 3.369 123.270 119.914 -0.022 0.000 2.572 113 V HA -0.001 4.119 4.120 0.000 0.000 0.291 113 V C 0.908 176.982 176.094 -0.033 0.000 1.039 113 V CA -0.131 62.153 62.300 -0.027 0.000 1.055 113 V CB 0.623 32.432 31.823 -0.024 0.000 0.969 113 V HN 0.738 nan 8.190 nan 0.000 0.482 114 D N 3.374 123.751 120.400 -0.039 0.000 2.751 114 D HA -0.270 4.371 4.640 0.000 0.000 0.233 114 D C 1.363 177.637 176.300 -0.044 0.000 1.149 114 D CA 1.016 54.988 54.000 -0.046 0.000 0.682 114 D CB -0.596 40.178 40.800 -0.043 0.000 1.068 114 D HN 0.838 nan 8.370 nan 0.000 0.429 115 A N 0.589 123.392 122.820 -0.028 0.000 1.893 115 A HA -0.179 4.141 4.320 0.000 0.000 0.222 115 A C 2.581 180.191 177.584 0.043 0.000 1.309 115 A CA 3.621 55.672 52.037 0.024 0.000 0.681 115 A CB -1.329 17.694 19.000 0.038 0.000 0.842 115 A HN 1.061 nan 8.150 nan 0.000 0.468 116 A N -0.851 121.972 122.820 0.006 0.000 1.986 116 A HA -0.236 4.084 4.320 0.000 0.000 0.220 116 A C 1.848 179.391 177.584 -0.069 0.000 1.171 116 A CA 2.011 54.045 52.037 -0.006 0.000 0.640 116 A CB -0.675 18.275 19.000 -0.084 0.000 0.811 116 A HN 0.622 nan 8.150 nan 0.000 0.451 117 N N -0.645 118.008 118.700 -0.080 0.000 2.457 117 N HA -0.049 4.691 4.740 0.000 0.000 0.180 117 N C 1.469 176.897 175.510 -0.137 0.000 1.050 117 N CA 0.830 53.822 53.050 -0.097 0.000 0.906 117 N CB -0.329 38.113 38.487 -0.074 0.000 0.968 117 N HN 0.437 nan 8.380 nan 0.000 0.445 118 L N 2.763 123.888 121.223 -0.165 0.000 1.970 118 L HA -0.061 4.279 4.340 0.000 0.000 0.212 118 L C -0.878 175.823 176.870 -0.281 0.000 1.071 118 L CA 2.111 56.826 54.840 -0.208 0.000 0.751 118 L CB -1.489 40.443 42.059 -0.212 0.000 0.889 118 L HN 0.108 nan 8.230 nan 0.000 0.432 119 P HA -0.107 nan 4.420 nan 0.000 0.233 119 P C 0.049 177.198 177.300 -0.251 0.000 1.167 119 P CA 0.524 63.388 63.100 -0.393 0.000 0.770 119 P CB -0.104 31.225 31.700 -0.619 0.000 0.837 120 R N 1.892 122.264 120.500 -0.213 0.000 2.679 120 R HA 0.120 4.460 4.340 0.000 0.000 0.268 120 R C -1.370 174.812 176.300 -0.196 0.000 1.044 120 R CA -0.866 55.124 56.100 -0.183 0.000 1.105 120 R CB -0.128 30.090 30.300 -0.136 0.000 0.989 120 R HN 0.134 nan 8.270 nan 0.000 0.447 121 P HA 0.102 nan 4.420 nan 0.000 0.248 121 P C -0.020 176.939 177.300 -0.569 0.000 1.708 121 P CA 0.282 63.182 63.100 -0.333 0.000 1.062 121 P CB 0.269 31.784 31.700 -0.309 0.000 1.562 122 L N 0.027 121.000 121.223 -0.417 0.000 2.653 122 L HA 0.181 4.521 4.340 0.000 0.000 0.231 122 L C 0.776 177.606 176.870 -0.068 0.000 1.153 122 L CA -0.240 54.348 54.840 -0.419 0.000 0.933 122 L CB 0.212 42.144 42.059 -0.213 0.000 1.175 122 L HN -0.078 nan 8.230 nan 0.000 0.473 123 V N -5.293 114.615 119.914 -0.010 0.000 2.962 123 V HA 0.374 4.494 4.120 0.000 0.000 0.313 123 V C 0.642 177.016 176.094 0.467 0.000 1.099 123 V CA -1.048 61.434 62.300 0.303 0.000 0.971 123 V CB 2.164 34.093 31.823 0.177 0.000 1.028 123 V HN 0.030 nan 8.190 nan 0.000 0.430 124 K N 0.889 121.614 120.400 0.542 0.000 2.148 124 K HA 0.074 4.394 4.320 0.000 0.000 0.204 124 K C -0.228 176.633 176.600 0.435 0.000 1.050 124 K CA 1.682 58.248 56.287 0.465 0.000 0.942 124 K CB 0.160 32.834 32.500 0.291 0.000 0.724 124 K HN 0.746 nan 8.250 nan 0.000 0.446 125 W N -0.082 121.319 121.300 0.169 0.000 3.425 125 W HA 0.312 4.972 4.660 0.000 0.000 0.318 125 W C -1.638 174.980 176.519 0.165 0.000 1.201 125 W CA -0.669 56.753 57.345 0.130 0.000 1.212 125 W CB 1.902 31.411 29.460 0.083 0.000 1.355 125 W HN -0.361 nan 8.180 nan 0.000 0.515 126 S N 5.142 120.598 115.700 -0.406 0.000 2.571 126 S HA 0.765 5.235 4.470 0.000 0.000 0.284 126 S C -2.068 172.181 174.600 -0.584 0.000 1.128 126 S CA -0.311 57.706 58.200 -0.305 0.000 0.970 126 S CB 0.759 63.918 63.200 -0.068 0.000 1.039 126 S HN 0.512 nan 8.310 nan 0.000 0.485 127 Y N 2.186 122.042 120.300 -0.741 0.000 2.624 127 Y HA 0.563 5.113 4.550 0.000 0.000 0.334 127 Y C -1.538 174.134 175.900 -0.379 0.000 1.155 127 Y CA -0.688 57.008 58.100 -0.673 0.000 1.046 127 Y CB 1.533 39.276 38.460 -1.195 0.000 1.316 127 Y HN 0.688 nan 8.280 nan 0.000 0.457 128 E N 5.311 124.941 120.200 -0.951 0.000 2.265 128 E HA 0.495 4.845 4.350 0.000 0.000 0.262 128 E C -2.954 173.099 176.600 -0.911 0.000 0.889 128 E CA -2.412 53.593 56.400 -0.658 0.000 0.789 128 E CB 1.987 31.446 29.700 -0.403 0.000 1.221 128 E HN 0.309 nan 8.360 nan 0.000 0.414 129 P HA 0.041 nan 4.420 nan 0.000 0.267 129 P C -0.300 176.889 177.300 -0.185 0.000 1.200 129 P CA 0.156 63.149 63.100 -0.178 0.000 0.772 129 P CB 1.000 32.693 31.700 -0.013 0.000 0.855 130 A N 1.411 124.187 122.820 -0.072 0.000 2.218 130 A HA 0.269 4.589 4.320 0.000 0.000 0.209 130 A C 0.564 178.122 177.584 -0.044 0.000 1.168 130 A CA 0.961 52.961 52.037 -0.061 0.000 0.804 130 A CB -0.496 18.500 19.000 -0.005 0.000 0.834 130 A HN 0.604 nan 8.150 nan 0.000 0.482 131 S N -3.864 111.814 115.700 -0.036 0.000 2.567 131 S HA 0.596 5.066 4.470 0.000 0.000 0.270 131 S C 0.630 175.198 174.600 -0.054 0.000 1.152 131 S CA -0.009 58.168 58.200 -0.039 0.000 0.835 131 S CB 0.963 64.158 63.200 -0.008 0.000 1.115 131 S HN 0.983 nan 8.310 nan 0.000 0.459 132 A N 1.718 124.496 122.820 -0.070 0.000 1.908 132 A HA 0.234 4.554 4.320 0.000 0.000 0.218 132 A C 2.315 179.869 177.584 -0.050 0.000 1.181 132 A CA 2.144 54.122 52.037 -0.098 0.000 0.627 132 A CB -1.619 17.333 19.000 -0.080 0.000 0.818 132 A HN 1.815 nan 8.150 nan 0.000 0.445 133 A N -0.808 122.009 122.820 -0.006 0.000 2.131 133 A HA -0.164 4.156 4.320 0.000 0.000 0.220 133 A C 1.930 179.543 177.584 0.048 0.000 1.158 133 A CA 1.651 53.703 52.037 0.026 0.000 0.665 133 A CB -0.436 18.582 19.000 0.030 0.000 0.795 133 A HN 0.678 nan 8.150 nan 0.000 0.460 134 E N -0.168 120.063 120.200 0.053 0.000 2.371 134 E HA -0.020 4.330 4.350 0.000 0.000 0.194 134 E C 1.639 178.314 176.600 0.125 0.000 1.012 134 E CA 0.609 57.081 56.400 0.120 0.000 0.860 134 E CB -0.032 29.755 29.700 0.145 0.000 0.811 134 E HN 0.377 nan 8.360 nan 0.000 0.502 135 V N 1.777 121.710 119.914 0.031 0.000 2.250 135 V HA -0.246 3.874 4.120 0.000 0.000 0.250 135 V C -0.701 175.448 176.094 0.090 0.000 1.060 135 V CA 2.331 64.625 62.300 -0.011 0.000 1.030 135 V CB -1.522 30.167 31.823 -0.224 0.000 0.643 135 V HN 0.285 nan 8.190 nan 0.000 0.445 136 P HA -0.200 nan 4.420 nan 0.000 0.216 136 P C 1.710 179.131 177.300 0.202 0.000 1.153 136 P CA 1.817 65.023 63.100 0.178 0.000 0.858 136 P CB -0.203 31.598 31.700 0.169 0.000 0.789 137 H N -0.553 118.562 119.070 0.074 0.000 2.321 137 H HA -0.090 4.466 4.556 0.000 0.000 0.300 137 H C 1.802 177.179 175.328 0.082 0.000 1.087 137 H CA 1.244 57.325 56.048 0.056 0.000 1.319 137 H CB -0.147 29.638 29.762 0.037 0.000 1.379 137 H HN -0.015 nan 8.280 nan 0.000 0.501 138 A N 0.958 123.824 122.820 0.076 0.000 1.933 138 A HA -0.208 4.112 4.320 0.000 0.000 0.218 138 A C 2.384 180.077 177.584 0.182 0.000 1.175 138 A CA 1.752 53.864 52.037 0.125 0.000 0.628 138 A CB -0.653 18.531 19.000 0.307 0.000 0.814 138 A HN 0.511 nan 8.150 nan 0.000 0.444 139 M N -0.188 119.516 119.600 0.173 0.000 2.117 139 M HA -0.076 4.404 4.480 0.000 0.000 0.262 139 M C 2.282 178.654 176.300 0.121 0.000 1.065 139 M CA 2.045 57.457 55.300 0.187 0.000 1.114 139 M CB -0.588 32.137 32.600 0.208 0.000 1.361 139 M HN 0.396 nan 8.290 nan 0.000 0.408 140 S N -0.151 115.611 115.700 0.103 0.000 2.359 140 S HA -0.178 4.292 4.470 0.000 0.000 0.224 140 S C 2.044 176.649 174.600 0.007 0.000 1.035 140 S CA 1.639 59.890 58.200 0.084 0.000 1.018 140 S CB -0.192 63.125 63.200 0.196 0.000 0.876 140 S HN 0.622 nan 8.310 nan 0.000 0.448 141 R N 0.764 121.188 120.500 -0.128 0.000 2.081 141 R HA -0.015 4.325 4.340 0.000 0.000 0.235 141 R C 2.688 178.742 176.300 -0.411 0.000 1.131 141 R CA 1.336 57.184 56.100 -0.421 0.000 0.960 141 R CB -0.667 29.095 30.300 -0.896 0.000 0.856 141 R HN 0.503 nan 8.270 nan 0.000 0.436 142 A N 1.503 124.260 122.820 -0.105 0.000 1.865 142 A HA -0.170 4.150 4.320 0.000 0.000 0.217 142 A C 2.199 179.809 177.584 0.043 0.000 1.191 142 A CA 1.379 53.511 52.037 0.157 0.000 0.623 142 A CB -0.595 18.595 19.000 0.316 0.000 0.826 142 A HN 0.188 nan 8.150 nan 0.000 0.444 143 I N -1.009 119.542 120.570 -0.032 0.000 2.151 143 I HA -0.301 3.869 4.170 0.000 0.000 0.243 143 I C 2.490 178.477 176.117 -0.216 0.000 1.080 143 I CA 1.589 62.810 61.300 -0.132 0.000 1.339 143 I CB -0.622 37.213 38.000 -0.275 0.000 1.039 143 I HN 0.425 nan 8.210 nan 0.000 0.409 144 H N -0.278 118.765 119.070 -0.044 0.000 2.395 144 H HA -0.005 4.552 4.556 0.000 0.000 0.299 144 H C 2.327 177.599 175.328 -0.093 0.000 1.070 144 H CA 1.046 57.047 56.048 -0.078 0.000 1.356 144 H CB -0.127 29.571 29.762 -0.107 0.000 1.401 144 H HN 0.252 nan 8.280 nan 0.000 0.524 145 M N 0.406 119.981 119.600 -0.041 0.000 2.213 145 M HA -0.046 4.434 4.480 0.000 0.000 0.263 145 M C 2.394 178.709 176.300 0.026 0.000 1.062 145 M CA 0.884 56.149 55.300 -0.059 0.000 1.105 145 M CB -0.832 31.683 32.600 -0.141 0.000 1.385 145 M HN 0.218 nan 8.290 nan 0.000 0.417 146 A N -1.182 121.667 122.820 0.048 0.000 1.970 146 A HA -0.012 4.308 4.320 0.000 0.000 0.216 146 A C 2.379 179.984 177.584 0.035 0.000 1.170 146 A CA 1.506 53.582 52.037 0.066 0.000 0.645 146 A CB -0.403 18.650 19.000 0.088 0.000 0.816 146 A HN 0.457 nan 8.150 nan 0.000 0.447 147 S N -0.373 115.341 115.700 0.022 0.000 2.446 147 S HA 0.183 4.653 4.470 0.000 0.000 0.225 147 S C 0.884 175.485 174.600 0.003 0.000 1.016 147 S CA 0.153 58.362 58.200 0.016 0.000 0.943 147 S CB -0.234 62.976 63.200 0.017 0.000 0.786 147 S HN 0.536 nan 8.310 nan 0.000 0.508 148 M N 1.791 121.391 119.600 0.001 0.000 2.243 148 M HA 0.277 4.757 4.480 0.000 0.000 0.341 148 M C 0.293 176.561 176.300 -0.054 0.000 1.130 148 M CA -0.378 54.909 55.300 -0.022 0.000 1.162 148 M CB 0.308 32.892 32.600 -0.026 0.000 1.497 148 M HN 0.141 nan 8.290 nan 0.000 0.456 149 A N 4.722 127.499 122.820 -0.070 0.000 2.440 149 A HA 0.431 4.751 4.320 0.000 0.000 0.251 149 A C -2.228 175.279 177.584 -0.129 0.000 1.089 149 A CA -1.121 50.844 52.037 -0.121 0.000 0.779 149 A CB -0.670 18.265 19.000 -0.107 0.000 1.022 149 A HN 0.525 nan 8.150 nan 0.000 0.492 150 P HA 0.176 nan 4.420 nan 0.000 0.287 150 P C -0.648 176.498 177.300 -0.257 0.000 1.281 150 P CA -0.264 62.621 63.100 -0.358 0.000 0.781 150 P CB 0.814 32.203 31.700 -0.518 0.000 0.903 151 Q N 1.125 120.800 119.800 -0.207 0.000 2.432 151 Q HA 0.488 4.828 4.340 0.000 0.000 0.264 151 Q C 0.687 176.668 176.000 -0.032 0.000 1.035 151 Q CA 0.435 56.194 55.803 -0.072 0.000 0.908 151 Q CB 0.402 29.128 28.738 -0.020 0.000 1.280 151 Q HN 0.742 nan 8.270 nan 0.000 0.455 152 G N 1.101 109.906 108.800 0.009 0.000 2.451 152 G HA2 0.328 4.288 3.960 0.000 0.000 0.292 152 G HA3 0.328 4.288 3.960 0.000 0.000 0.292 152 G C -3.076 171.888 174.900 0.107 0.000 1.427 152 G CA -0.883 44.231 45.100 0.023 0.000 0.792 152 G HN 0.389 nan 8.290 nan 0.000 0.498 153 P HA 0.463 nan 4.420 nan 0.000 0.279 153 P C -0.093 177.353 177.300 0.243 0.000 1.239 153 P CA -0.157 63.057 63.100 0.190 0.000 0.789 153 P CB 1.683 33.499 31.700 0.193 0.000 0.933 154 V N 0.923 120.976 119.914 0.233 0.000 3.001 154 V HA 0.627 4.747 4.120 0.000 0.000 0.314 154 V C -1.454 174.811 176.094 0.284 0.000 1.099 154 V CA -1.101 61.380 62.300 0.301 0.000 0.989 154 V CB 2.151 34.195 31.823 0.368 0.000 1.040 154 V HN 0.488 nan 8.190 nan 0.000 0.434 155 Y N 2.867 123.214 120.300 0.078 0.000 2.391 155 Y HA 0.830 5.381 4.550 0.000 0.000 0.341 155 Y C -1.212 174.641 175.900 -0.078 0.000 0.965 155 Y CA -1.247 56.842 58.100 -0.018 0.000 1.067 155 Y CB 2.032 40.458 38.460 -0.056 0.000 1.199 155 Y HN 0.895 nan 8.280 nan 0.000 0.450 156 L N 5.297 126.206 121.223 -0.524 0.000 2.406 156 L HA 0.600 4.940 4.340 0.000 0.000 0.272 156 L C -1.155 175.362 176.870 -0.588 0.000 0.980 156 L CA -0.191 54.409 54.840 -0.399 0.000 0.831 156 L CB 1.935 43.939 42.059 -0.092 0.000 1.253 156 L HN 0.561 nan 8.230 nan 0.000 0.406 157 S N 4.125 119.533 115.700 -0.488 0.000 2.462 157 S HA 0.844 5.314 4.470 0.000 0.000 0.294 157 S C -1.038 173.431 174.600 -0.218 0.000 1.144 157 S CA -0.440 57.543 58.200 -0.361 0.000 1.088 157 S CB 0.899 63.946 63.200 -0.254 0.000 1.009 157 S HN 0.468 nan 8.310 nan 0.000 0.484 158 V N 7.400 127.233 119.914 -0.136 0.000 2.482 158 V HA 0.423 4.543 4.120 0.000 0.000 0.295 158 V C -2.496 173.556 176.094 -0.070 0.000 1.026 158 V CA -2.069 60.144 62.300 -0.146 0.000 0.856 158 V CB 1.612 33.321 31.823 -0.190 0.000 1.001 158 V HN 0.713 nan 8.190 nan 0.000 0.424 159 P HA 0.013 nan 4.420 nan 0.000 0.264 159 P C 0.328 177.610 177.300 -0.031 0.000 1.193 159 P CA 0.060 63.102 63.100 -0.098 0.000 0.763 159 P CB 0.175 31.772 31.700 -0.173 0.000 0.810 160 Y N 2.857 123.218 120.300 0.102 0.000 2.483 160 Y HA -0.155 4.395 4.550 0.000 0.000 0.291 160 Y C 1.285 177.318 175.900 0.221 0.000 1.143 160 Y CA 1.192 59.448 58.100 0.260 0.000 1.289 160 Y CB -1.127 37.499 38.460 0.275 0.000 0.983 160 Y HN 0.289 nan 8.280 nan 0.000 0.556 161 D N -0.840 119.494 120.400 -0.111 0.000 2.340 161 D HA -0.094 4.546 4.640 0.000 0.000 0.220 161 D C 0.555 176.849 176.300 -0.010 0.000 1.039 161 D CA 0.478 54.462 54.000 -0.027 0.000 0.866 161 D CB -0.231 40.454 40.800 -0.192 0.000 0.913 161 D HN 0.360 nan 8.370 nan 0.000 0.523 162 D N 0.589 120.914 120.400 -0.125 0.000 2.162 162 D HA -0.059 4.581 4.640 0.000 0.000 0.203 162 D C 1.653 177.880 176.300 -0.121 0.000 0.967 162 D CA 0.579 54.448 54.000 -0.218 0.000 0.840 162 D CB -0.533 40.001 40.800 -0.444 0.000 0.972 162 D HN 0.370 nan 8.370 nan 0.000 0.482 163 W N 1.621 123.034 121.300 0.189 0.000 2.321 163 W HA -0.155 4.505 4.660 -0.000 0.000 0.306 163 W C 1.755 178.408 176.519 0.223 0.000 1.217 163 W CA 0.682 58.183 57.345 0.260 0.000 1.257 163 W CB -0.236 29.445 29.460 0.369 0.000 1.145 163 W HN -0.074 nan 8.180 nan 0.000 0.509 164 D N -0.200 120.416 120.400 0.361 0.000 2.317 164 D HA -0.044 4.596 4.640 0.000 0.000 0.211 164 D C 0.973 177.369 176.300 0.161 0.000 0.966 164 D CA 0.823 54.962 54.000 0.232 0.000 0.876 164 D CB -0.251 40.657 40.800 0.179 0.000 0.927 164 D HN -0.044 nan 8.370 nan 0.000 0.519 165 K N 1.605 122.084 120.400 0.131 0.000 2.276 165 K HA 0.063 4.383 4.320 0.000 0.000 0.259 165 K C 0.147 176.807 176.600 0.100 0.000 1.001 165 K CA -0.224 56.114 56.287 0.085 0.000 0.927 165 K CB 0.468 32.992 32.500 0.040 0.000 0.969 165 K HN -0.021 nan 8.250 nan 0.000 0.490 166 D N 0.508 120.956 120.400 0.079 0.000 2.414 166 D HA 0.151 4.791 4.640 0.000 0.000 0.242 166 D C -0.069 176.282 176.300 0.086 0.000 1.129 166 D CA 0.168 54.219 54.000 0.085 0.000 0.885 166 D CB 0.843 41.682 40.800 0.066 0.000 1.198 166 D HN 0.449 nan 8.370 nan 0.000 0.437 167 A N 1.709 124.592 122.820 0.106 0.000 2.293 167 A HA 0.221 4.541 4.320 0.000 0.000 0.302 167 A C 0.082 177.715 177.584 0.081 0.000 1.119 167 A CA -0.645 51.454 52.037 0.104 0.000 0.823 167 A CB 0.712 19.799 19.000 0.145 0.000 1.097 167 A HN 0.456 nan 8.150 nan 0.000 0.491 168 D N 1.582 122.019 120.400 0.062 0.000 2.383 168 D HA 0.217 4.857 4.640 0.000 0.000 0.252 168 D C -1.621 174.710 176.300 0.051 0.000 1.166 168 D CA -1.604 52.423 54.000 0.045 0.000 0.879 168 D CB 1.067 41.880 40.800 0.023 0.000 1.164 168 D HN 0.105 nan 8.370 nan 0.000 0.462 169 P HA -0.151 nan 4.420 nan 0.000 0.217 169 P C 0.996 178.368 177.300 0.120 0.000 1.148 169 P CA 0.986 64.142 63.100 0.094 0.000 0.828 169 P CB 0.236 31.987 31.700 0.084 0.000 0.783 170 Q N -0.933 118.901 119.800 0.057 0.000 2.541 170 Q HA -0.000 4.340 4.340 0.000 0.000 0.215 170 Q C 1.875 177.775 176.000 -0.166 0.000 0.977 170 Q CA 0.831 56.634 55.803 0.001 0.000 0.934 170 Q CB -0.782 27.974 28.738 0.030 0.000 0.988 170 Q HN 0.285 nan 8.270 nan 0.000 0.521 171 S N 0.430 116.043 115.700 -0.145 0.000 2.447 171 S HA -0.127 4.343 4.470 0.000 0.000 0.233 171 S C 1.592 175.836 174.600 -0.593 0.000 1.006 171 S CA 0.845 58.900 58.200 -0.241 0.000 0.957 171 S CB -0.340 62.799 63.200 -0.102 0.000 0.773 171 S HN 0.629 nan 8.310 nan 0.000 0.507 172 H N 0.632 119.321 119.070 -0.634 0.000 2.457 172 H HA -0.091 4.465 4.556 0.000 0.000 0.297 172 H C 1.293 176.175 175.328 -0.743 0.000 1.092 172 H CA 1.438 56.846 56.048 -1.067 0.000 1.309 172 H CB -0.722 28.790 29.762 -0.418 0.000 1.382 172 H HN 0.485 nan 8.280 nan 0.000 0.535 173 H N 0.788 119.327 119.070 -0.886 0.000 2.543 173 H HA 0.012 4.568 4.556 0.000 0.000 0.286 173 H C 2.325 177.493 175.328 -0.268 0.000 1.037 173 H CA 0.925 56.673 56.048 -0.500 0.000 1.250 173 H CB 0.316 29.805 29.762 -0.456 0.000 1.373 173 H HN 0.426 nan 8.280 nan 0.000 0.580 174 L N -0.886 120.199 121.223 -0.231 0.000 2.202 174 L HA -0.066 4.274 4.340 0.000 0.000 0.205 174 L C 2.113 179.056 176.870 0.123 0.000 1.083 174 L CA 0.104 54.921 54.840 -0.039 0.000 0.790 174 L CB -0.407 41.639 42.059 -0.022 0.000 0.942 174 L HN 0.013 nan 8.230 nan 0.000 0.452 175 F N 1.056 121.071 119.950 0.107 0.000 2.048 175 F HA -0.321 4.206 4.527 0.000 0.000 0.296 175 F C 1.796 177.664 175.800 0.113 0.000 1.109 175 F CA 1.296 59.361 58.000 0.109 0.000 1.214 175 F CB -0.884 38.179 39.000 0.105 0.000 0.963 175 F HN 0.188 nan 8.300 nan 0.000 0.491 176 D N -0.169 120.417 120.400 0.310 0.000 2.463 176 D HA 0.067 4.707 4.640 0.000 0.000 0.224 176 D C 0.302 176.717 176.300 0.192 0.000 1.174 176 D CA -0.071 54.064 54.000 0.225 0.000 0.829 176 D CB -0.059 40.858 40.800 0.194 0.000 0.993 176 D HN 0.164 nan 8.370 nan 0.000 0.497 177 R N 1.099 121.711 120.500 0.186 0.000 2.522 177 R HA 0.055 4.395 4.340 0.000 0.000 0.284 177 R C 0.260 176.641 176.300 0.134 0.000 1.032 177 R CA 0.290 56.462 56.100 0.120 0.000 1.049 177 R CB 0.567 30.901 30.300 0.057 0.000 0.956 177 R HN 0.147 nan 8.270 nan 0.000 0.422 178 H N 3.287 122.363 119.070 0.011 0.000 2.708 178 H HA 0.256 4.812 4.556 0.000 0.000 0.320 178 H C -1.308 173.986 175.328 -0.057 0.000 0.991 178 H CA -0.589 55.471 56.048 0.020 0.000 1.243 178 H CB 0.996 30.778 29.762 0.033 0.000 1.446 178 H HN 0.216 nan 8.280 nan 0.000 0.502 179 V N 4.399 124.228 119.914 -0.142 0.000 2.398 179 V HA 0.272 4.392 4.120 0.000 0.000 0.286 179 V C 0.386 176.483 176.094 0.004 0.000 1.026 179 V CA -0.534 61.707 62.300 -0.098 0.000 0.868 179 V CB 1.431 33.090 31.823 -0.274 0.000 0.982 179 V HN 0.753 nan 8.190 nan 0.000 0.443 180 S N 2.741 118.490 115.700 0.081 0.000 2.513 180 S HA 0.620 5.090 4.470 0.000 0.000 0.299 180 S C 0.402 175.020 174.600 0.029 0.000 1.087 180 S CA 0.096 58.352 58.200 0.093 0.000 1.012 180 S CB 1.857 65.144 63.200 0.146 0.000 1.044 180 S HN 0.991 nan 8.310 nan 0.000 0.485 181 S N 1.797 117.509 115.700 0.020 0.000 3.031 181 S HA 0.199 4.669 4.470 0.000 0.000 0.253 181 S C 0.223 174.822 174.600 -0.002 0.000 0.996 181 S CA -0.319 57.879 58.200 -0.004 0.000 1.098 181 S CB 0.183 63.370 63.200 -0.022 0.000 1.042 181 S HN 0.539 nan 8.310 nan 0.000 0.593 182 S N 2.789 118.498 115.700 0.015 0.000 4.120 182 S HA 0.415 4.885 4.470 0.000 0.000 0.215 182 S C 0.323 174.926 174.600 0.004 0.000 1.347 182 S CA -0.197 58.010 58.200 0.012 0.000 0.889 182 S CB -1.309 61.907 63.200 0.028 0.000 1.585 182 S HN 0.722 nan 8.310 nan 0.000 0.447 183 V N 2.461 122.372 119.914 -0.005 0.000 3.019 183 V HA 0.998 5.118 4.120 0.000 0.000 0.317 183 V C -0.668 175.420 176.094 -0.010 0.000 1.094 183 V CA -1.363 60.932 62.300 -0.008 0.000 1.000 183 V CB 1.870 33.685 31.823 -0.012 0.000 1.060 183 V HN 0.716 nan 8.190 nan 0.000 0.443 184 R N 1.711 122.206 120.500 -0.009 0.000 2.739 184 R HA 0.725 5.065 4.340 0.000 0.000 0.271 184 R C -1.052 175.242 176.300 -0.009 0.000 1.010 184 R CA -0.965 55.130 56.100 -0.009 0.000 0.897 184 R CB 0.601 30.898 30.300 -0.005 0.000 1.236 184 R HN 0.859 nan 8.270 nan 0.000 0.466 185 L N 2.106 123.323 121.223 -0.009 0.000 2.573 185 L HA 0.095 4.435 4.340 0.000 0.000 0.290 185 L C -0.370 176.495 176.870 -0.007 0.000 1.247 185 L CA 0.657 55.492 54.840 -0.009 0.000 0.876 185 L CB -0.187 41.867 42.059 -0.009 0.000 1.123 185 L HN 0.936 nan 8.230 nan 0.000 0.505 186 N N 2.015 120.711 118.700 -0.008 0.000 2.344 186 N HA -0.036 4.704 4.740 0.000 0.000 0.236 186 N C 0.461 175.968 175.510 -0.005 0.000 1.279 186 N CA 0.108 53.154 53.050 -0.006 0.000 0.882 186 N CB 0.234 38.717 38.487 -0.007 0.000 1.110 186 N HN 0.601 nan 8.380 nan 0.000 0.436 187 D N -0.056 120.342 120.400 -0.004 0.000 2.127 187 D HA -0.287 4.353 4.640 0.000 0.000 0.190 187 D C 1.568 177.867 176.300 -0.002 0.000 1.000 187 D CA 1.651 55.649 54.000 -0.003 0.000 0.839 187 D CB -0.492 40.306 40.800 -0.003 0.000 0.955 187 D HN 0.834 nan 8.370 nan 0.000 0.446 188 Q N 0.318 120.117 119.800 -0.003 0.000 2.045 188 Q HA -0.202 4.138 4.340 0.000 0.000 0.206 188 Q C 1.323 177.321 176.000 -0.002 0.000 0.991 188 Q CA 1.883 57.685 55.803 -0.002 0.000 0.851 188 Q CB 0.034 28.770 28.738 -0.003 0.000 0.911 188 Q HN 0.157 nan 8.270 nan 0.000 0.418 189 D N 0.229 120.627 120.400 -0.004 0.000 2.178 189 D HA -0.121 4.519 4.640 0.000 0.000 0.202 189 D C 1.846 178.144 176.300 -0.003 0.000 0.974 189 D CA 0.495 54.492 54.000 -0.004 0.000 0.841 189 D CB -0.138 40.658 40.800 -0.006 0.000 0.953 189 D HN 0.232 nan 8.370 nan 0.000 0.478 190 L N 1.130 122.352 121.223 -0.003 0.000 2.056 190 L HA -0.120 4.221 4.340 0.000 0.000 0.207 190 L C 1.371 178.241 176.870 0.000 0.000 1.078 190 L CA 1.778 56.617 54.840 -0.002 0.000 0.749 190 L CB -0.437 41.621 42.059 -0.001 0.000 0.901 190 L HN -0.156 nan 8.230 nan 0.000 0.433 191 D N -0.300 120.101 120.400 0.001 0.000 2.144 191 D HA -0.179 4.461 4.640 0.000 0.000 0.199 191 D C 2.346 178.647 176.300 0.002 0.000 0.984 191 D CA 1.710 55.711 54.000 0.002 0.000 0.834 191 D CB -0.061 40.740 40.800 0.002 0.000 0.955 191 D HN 0.437 nan 8.370 nan 0.000 0.465 192 I N 0.568 121.138 120.570 0.001 0.000 2.208 192 I HA -0.253 3.917 4.170 0.000 0.000 0.245 192 I C 2.397 178.515 176.117 0.002 0.000 1.097 192 I CA 0.531 61.831 61.300 0.001 0.000 1.363 192 I CB -0.145 37.855 38.000 -0.000 0.000 1.051 192 I HN 0.023 nan 8.210 nan 0.000 0.413 193 L N 0.614 121.837 121.223 0.001 0.000 2.027 193 L HA -0.133 4.207 4.340 0.000 0.000 0.206 193 L C 2.420 179.293 176.870 0.005 0.000 1.074 193 L CA 1.776 56.618 54.840 0.002 0.000 0.745 193 L CB -0.576 41.483 42.059 -0.000 0.000 0.898 193 L HN -0.039 nan 8.230 nan 0.000 0.433 194 V N 0.028 119.945 119.914 0.005 0.000 2.332 194 V HA -0.334 3.786 4.120 0.000 0.000 0.248 194 V C 2.632 178.731 176.094 0.009 0.000 1.055 194 V CA 2.189 64.494 62.300 0.008 0.000 1.038 194 V CB -0.809 31.019 31.823 0.008 0.000 0.651 194 V HN 0.475 nan 8.190 nan 0.000 0.450 195 K N 0.141 120.545 120.400 0.008 0.000 2.097 195 K HA -0.129 4.191 4.320 0.000 0.000 0.206 195 K C 2.327 178.933 176.600 0.010 0.000 1.049 195 K CA 1.437 57.729 56.287 0.008 0.000 0.933 195 K CB -0.417 32.087 32.500 0.006 0.000 0.717 195 K HN 0.489 nan 8.250 nan 0.000 0.442 196 A N 1.492 124.317 122.820 0.009 0.000 1.902 196 A HA -0.135 4.185 4.320 0.000 0.000 0.217 196 A C 2.119 179.712 177.584 0.015 0.000 1.181 196 A CA 1.249 53.293 52.037 0.011 0.000 0.623 196 A CB -0.588 18.418 19.000 0.009 0.000 0.818 196 A HN 0.149 nan 8.150 nan 0.000 0.443 197 L N -0.470 120.762 121.223 0.015 0.000 2.056 197 L HA -0.171 4.169 4.340 0.000 0.000 0.207 197 L C 2.196 179.078 176.870 0.021 0.000 1.078 197 L CA 1.165 56.016 54.840 0.019 0.000 0.749 197 L CB -0.668 41.401 42.059 0.016 0.000 0.901 197 L HN 0.332 nan 8.230 nan 0.000 0.433 198 N N -0.336 118.375 118.700 0.018 0.000 2.223 198 N HA -0.125 4.615 4.740 0.000 0.000 0.185 198 N C 1.915 177.436 175.510 0.018 0.000 1.016 198 N CA 1.316 54.376 53.050 0.018 0.000 0.863 198 N CB -0.127 38.368 38.487 0.015 0.000 0.983 198 N HN 0.184 nan 8.380 nan 0.000 0.429 199 S N 0.108 115.819 115.700 0.017 0.000 2.501 199 S HA 0.210 4.680 4.470 0.000 0.000 0.220 199 S C 0.856 175.469 174.600 0.021 0.000 0.997 199 S CA -0.200 58.010 58.200 0.017 0.000 0.919 199 S CB 0.045 63.253 63.200 0.014 0.000 0.778 199 S HN 0.425 nan 8.310 nan 0.000 0.523 200 A N 2.244 125.079 122.820 0.026 0.000 2.548 200 A HA 0.242 4.562 4.320 0.000 0.000 0.247 200 A C 1.416 179.021 177.584 0.035 0.000 1.067 200 A CA 0.255 52.312 52.037 0.034 0.000 0.757 200 A CB 0.087 19.113 19.000 0.043 0.000 0.996 200 A HN 0.437 nan 8.150 nan 0.000 0.504 201 S N 1.583 117.302 115.700 0.033 0.000 2.425 201 S HA -0.026 4.444 4.470 0.000 0.000 0.225 201 S C 0.740 175.362 174.600 0.036 0.000 1.024 201 S CA 0.960 59.176 58.200 0.027 0.000 0.951 201 S CB -0.129 63.080 63.200 0.015 0.000 0.796 201 S HN 0.824 nan 8.310 nan 0.000 0.498 202 N N 1.941 120.675 118.700 0.057 0.000 2.697 202 N HA 0.356 5.096 4.740 0.000 0.000 0.253 202 N C -3.202 172.450 175.510 0.236 0.000 1.604 202 N CA -1.738 51.371 53.050 0.097 0.000 0.772 202 N CB 1.307 39.791 38.487 -0.004 0.000 1.267 202 N HN 0.132 nan 8.380 nan 0.000 0.510 203 P HA 0.330 nan 4.420 nan 0.000 0.272 203 P C -1.029 176.332 177.300 0.102 0.000 1.230 203 P CA -0.294 62.888 63.100 0.136 0.000 0.788 203 P CB 1.470 33.211 31.700 0.068 0.000 0.949 204 A N 2.326 125.125 122.820 -0.035 0.000 2.486 204 A HA 0.726 5.046 4.320 0.000 0.000 0.300 204 A C -0.821 176.720 177.584 -0.072 0.000 1.048 204 A CA -0.771 51.153 52.037 -0.188 0.000 0.696 204 A CB 1.096 19.767 19.000 -0.548 0.000 1.278 204 A HN 0.430 nan 8.150 nan 0.000 0.405 205 I N 1.653 122.189 120.570 -0.057 0.000 2.433 205 I HA 0.503 4.673 4.170 0.000 0.000 0.292 205 I C -0.930 175.183 176.117 -0.007 0.000 1.001 205 I CA -0.998 60.274 61.300 -0.047 0.000 1.119 205 I CB 2.148 40.084 38.000 -0.107 0.000 1.289 205 I HN 0.313 nan 8.210 nan 0.000 0.438 206 V N 7.105 127.027 119.914 0.013 0.000 2.444 206 V HA 0.459 4.579 4.120 0.000 0.000 0.294 206 V C -0.146 175.962 176.094 0.023 0.000 1.022 206 V CA -0.507 61.812 62.300 0.031 0.000 0.850 206 V CB 1.758 33.614 31.823 0.054 0.000 0.992 206 V HN 0.471 nan 8.190 nan 0.000 0.426 207 L N 4.099 125.325 121.223 0.005 0.000 2.325 207 L HA 0.864 5.204 4.340 0.000 0.000 0.278 207 L C 0.785 177.686 176.870 0.051 0.000 1.023 207 L CA -0.285 54.573 54.840 0.031 0.000 0.811 207 L CB 1.820 43.900 42.059 0.035 0.000 1.249 207 L HN 0.739 nan 8.230 nan 0.000 0.431 208 G N 0.929 109.769 108.800 0.067 0.000 2.667 208 G HA2 0.500 4.460 3.960 0.000 0.000 0.310 208 G HA3 0.500 4.460 3.960 0.000 0.000 0.310 208 G C -1.988 172.971 174.900 0.098 0.000 1.259 208 G CA -1.013 44.132 45.100 0.075 0.000 1.019 208 G HN 0.421 nan 8.290 nan 0.000 0.496 209 P HA -0.118 nan 4.420 nan 0.000 0.216 209 P C 0.667 178.042 177.300 0.124 0.000 1.150 209 P CA 1.153 64.331 63.100 0.129 0.000 0.837 209 P CB 0.255 32.029 31.700 0.124 0.000 0.786 210 D N -0.328 120.146 120.400 0.123 0.000 2.263 210 D HA -0.077 4.563 4.640 0.000 0.000 0.208 210 D C 2.036 178.384 176.300 0.079 0.000 0.971 210 D CA 0.668 54.734 54.000 0.111 0.000 0.867 210 D CB -0.284 40.577 40.800 0.102 0.000 0.929 210 D HN 0.089 nan 8.370 nan 0.000 0.492 211 V N 1.084 121.047 119.914 0.082 0.000 2.307 211 V HA -0.232 3.888 4.120 0.000 0.000 0.245 211 V C 2.201 178.340 176.094 0.076 0.000 1.045 211 V CA 1.857 64.202 62.300 0.075 0.000 1.024 211 V CB -0.352 31.525 31.823 0.091 0.000 0.651 211 V HN 0.070 nan 8.190 nan 0.000 0.449 212 D N 0.038 120.491 120.400 0.088 0.000 2.144 212 D HA -0.109 4.531 4.640 0.000 0.000 0.200 212 D C 2.094 178.442 176.300 0.080 0.000 0.978 212 D CA 1.348 55.393 54.000 0.076 0.000 0.833 212 D CB -0.113 40.730 40.800 0.072 0.000 0.961 212 D HN 0.360 nan 8.370 nan 0.000 0.470 213 A N 0.346 123.223 122.820 0.094 0.000 1.902 213 A HA 0.042 4.362 4.320 0.000 0.000 0.217 213 A C 2.241 179.862 177.584 0.062 0.000 1.181 213 A CA 1.916 54.010 52.037 0.094 0.000 0.623 213 A CB -0.817 18.244 19.000 0.102 0.000 0.818 213 A HN 0.302 nan 8.150 nan 0.000 0.443 214 A N -1.237 121.613 122.820 0.050 0.000 2.238 214 A HA 0.240 4.560 4.320 0.000 0.000 0.208 214 A C 0.929 178.533 177.584 0.033 0.000 1.177 214 A CA 0.839 52.897 52.037 0.034 0.000 0.804 214 A CB -0.646 18.369 19.000 0.026 0.000 0.823 214 A HN 0.837 nan 8.150 nan 0.000 0.482 215 N N -2.189 116.535 118.700 0.039 0.000 2.727 215 N HA -0.228 4.512 4.740 0.000 0.000 0.249 215 N C 0.412 175.937 175.510 0.025 0.000 1.048 215 N CA 1.016 54.084 53.050 0.029 0.000 0.714 215 N CB -1.347 37.153 38.487 0.022 0.000 0.959 215 N HN 0.548 nan 8.380 nan 0.000 0.544 216 A N -0.666 122.175 122.820 0.035 0.000 2.379 216 A HA 0.215 4.535 4.320 0.000 0.000 0.236 216 A C 1.632 179.243 177.584 0.045 0.000 1.272 216 A CA 0.432 52.491 52.037 0.036 0.000 0.886 216 A CB -0.085 18.939 19.000 0.040 0.000 0.962 216 A HN 0.541 nan 8.150 nan 0.000 0.504 217 N N 1.886 120.608 118.700 0.036 0.000 2.018 217 N HA -0.213 4.527 4.740 0.000 0.000 0.196 217 N C 1.914 177.414 175.510 -0.017 0.000 1.043 217 N CA 2.060 55.126 53.050 0.026 0.000 0.856 217 N CB -0.525 37.951 38.487 -0.019 0.000 1.042 217 N HN 0.446 nan 8.380 nan 0.000 0.423 218 A N 1.207 124.006 122.820 -0.036 0.000 1.873 218 A HA -0.225 4.095 4.320 0.000 0.000 0.218 218 A C 1.775 179.352 177.584 -0.011 0.000 1.193 218 A CA 2.086 54.095 52.037 -0.046 0.000 0.629 218 A CB -0.840 18.142 19.000 -0.030 0.000 0.826 218 A HN 0.215 nan 8.150 nan 0.000 0.447 219 D N -0.719 119.689 120.400 0.015 0.000 2.182 219 D HA -0.122 4.518 4.640 0.000 0.000 0.201 219 D C 1.990 178.325 176.300 0.059 0.000 0.986 219 D CA 1.341 55.359 54.000 0.031 0.000 0.847 219 D CB -0.531 40.286 40.800 0.028 0.000 0.942 219 D HN 0.464 nan 8.370 nan 0.000 0.467 220 C N 0.033 119.388 119.300 0.092 0.000 2.457 220 C HA -0.029 4.431 4.460 0.000 0.000 0.278 220 C C 2.905 178.059 174.990 0.274 0.000 1.309 220 C CA -0.024 59.094 59.018 0.167 0.000 1.735 220 C CB -0.677 27.199 27.740 0.225 0.000 1.992 220 C HN 0.166 nan 8.230 nan 0.000 0.493 221 V N 1.028 121.045 119.914 0.172 0.000 2.295 221 V HA -0.316 3.804 4.120 0.000 0.000 0.246 221 V C 2.389 178.531 176.094 0.079 0.000 1.049 221 V CA 2.461 64.775 62.300 0.022 0.000 1.024 221 V CB -0.678 30.974 31.823 -0.284 0.000 0.648 221 V HN 0.625 nan 8.190 nan 0.000 0.447 222 M N -0.295 119.339 119.600 0.057 0.000 2.065 222 M HA -0.207 4.273 4.480 0.000 0.000 0.259 222 M C 2.070 178.412 176.300 0.070 0.000 1.069 222 M CA 2.164 57.501 55.300 0.061 0.000 1.110 222 M CB -0.427 32.197 32.600 0.040 0.000 1.328 222 M HN 0.295 nan 8.290 nan 0.000 0.405 223 L N 0.865 122.128 121.223 0.067 0.000 2.043 223 L HA -0.151 4.189 4.340 0.000 0.000 0.212 223 L C 2.436 179.339 176.870 0.055 0.000 1.075 223 L CA 2.426 57.298 54.840 0.054 0.000 0.752 223 L CB -1.181 40.907 42.059 0.047 0.000 0.891 223 L HN 0.432 nan 8.230 nan 0.000 0.432 224 A N -0.979 121.885 122.820 0.073 0.000 1.933 224 A HA -0.204 4.116 4.320 0.000 0.000 0.218 224 A C 2.138 179.775 177.584 0.088 0.000 1.175 224 A CA 1.740 53.807 52.037 0.050 0.000 0.628 224 A CB -0.584 18.439 19.000 0.037 0.000 0.814 224 A HN 0.645 nan 8.150 nan 0.000 0.444 225 E N -0.530 119.745 120.200 0.125 0.000 2.107 225 E HA -0.145 4.205 4.350 0.000 0.000 0.191 225 E C 2.279 178.931 176.600 0.087 0.000 0.982 225 E CA 0.724 57.209 56.400 0.141 0.000 0.809 225 E CB -0.140 29.658 29.700 0.164 0.000 0.756 225 E HN 0.417 nan 8.360 nan 0.000 0.459 226 R N 0.765 121.306 120.500 0.068 0.000 2.070 226 R HA -0.071 4.269 4.340 0.000 0.000 0.233 226 R C 2.353 178.680 176.300 0.044 0.000 1.137 226 R CA 0.961 57.091 56.100 0.049 0.000 0.945 226 R CB -0.781 29.544 30.300 0.040 0.000 0.845 226 R HN 0.247 nan 8.270 nan 0.000 0.430 227 L N 1.518 122.767 121.223 0.043 0.000 2.552 227 L HA 0.031 4.371 4.340 0.000 0.000 0.227 227 L C 0.139 177.036 176.870 0.044 0.000 1.146 227 L CA 0.182 55.045 54.840 0.039 0.000 0.858 227 L CB -0.239 41.838 42.059 0.031 0.000 0.969 227 L HN 0.067 nan 8.230 nan 0.000 0.451 228 K N -0.143 120.289 120.400 0.054 0.000 3.148 228 K HA -0.183 4.137 4.320 0.000 0.000 0.267 228 K C -0.014 176.617 176.600 0.053 0.000 0.996 228 K CA 0.878 57.200 56.287 0.059 0.000 0.737 228 K CB -1.887 30.643 32.500 0.050 0.000 1.308 228 K HN 0.368 nan 8.250 nan 0.000 0.470 229 A N 0.932 123.774 122.820 0.037 0.000 2.337 229 A HA 0.738 5.058 4.320 0.000 0.000 0.331 229 A C -2.226 175.328 177.584 -0.050 0.000 1.137 229 A CA -1.471 50.573 52.037 0.011 0.000 0.807 229 A CB 1.232 20.231 19.000 -0.002 0.000 1.250 229 A HN -0.004 nan 8.150 nan 0.000 0.468 230 P HA 0.351 nan 4.420 nan 0.000 0.275 230 P C -0.843 176.240 177.300 -0.361 0.000 1.228 230 P CA -0.044 62.910 63.100 -0.242 0.000 0.786 230 P CB 1.180 32.739 31.700 -0.236 0.000 0.927 231 V N 3.055 122.639 119.914 -0.551 0.000 2.487 231 V HA 0.368 4.488 4.120 0.000 0.000 0.298 231 V C -0.544 175.141 176.094 -0.682 0.000 1.028 231 V CA -0.282 61.672 62.300 -0.577 0.000 0.860 231 V CB 1.221 32.481 31.823 -0.939 0.000 0.991 231 V HN 0.591 nan 8.190 nan 0.000 0.427 232 W N 2.595 123.664 121.300 -0.385 0.000 2.719 232 W HA 0.753 5.413 4.660 0.000 0.000 0.352 232 W C -0.544 175.796 176.519 -0.297 0.000 1.085 232 W CA -0.905 56.188 57.345 -0.419 0.000 1.187 232 W CB 1.529 30.755 29.460 -0.391 0.000 1.417 232 W HN 0.276 nan 8.180 nan 0.000 0.557 233 V N 2.870 122.742 119.914 -0.069 0.000 2.439 233 V HA 0.579 4.699 4.120 0.000 0.000 0.282 233 V C 0.552 176.532 176.094 -0.192 0.000 1.039 233 V CA -1.272 60.959 62.300 -0.115 0.000 0.913 233 V CB 0.444 32.089 31.823 -0.296 0.000 0.983 233 V HN 0.691 nan 8.190 nan 0.000 0.460 234 A N 8.470 131.216 122.820 -0.124 0.000 2.555 234 A HA 0.361 4.681 4.320 0.000 0.000 0.233 234 A C -1.793 175.670 177.584 -0.201 0.000 1.060 234 A CA -0.645 51.299 52.037 -0.154 0.000 0.759 234 A CB -0.422 18.573 19.000 -0.009 0.000 0.995 234 A HN 0.707 nan 8.150 nan 0.000 0.506 235 P HA 0.035 nan 4.420 nan 0.000 0.268 235 P C 0.029 177.269 177.300 -0.099 0.000 1.208 235 P CA 0.732 63.714 63.100 -0.196 0.000 0.777 235 P CB 0.499 32.090 31.700 -0.182 0.000 0.875 236 S N -1.369 114.282 115.700 -0.082 0.000 3.635 236 S HA -0.181 4.289 4.470 0.000 0.000 0.328 236 S C 0.674 175.321 174.600 0.078 0.000 1.135 236 S CA 0.704 58.913 58.200 0.015 0.000 0.942 236 S CB -2.239 61.017 63.200 0.094 0.000 0.930 236 S HN 0.979 nan 8.310 nan 0.000 0.512 237 A N 0.776 123.599 122.820 0.004 0.000 2.563 237 A HA 0.294 4.614 4.320 0.000 0.000 0.256 237 A C -0.590 177.256 177.584 0.437 0.000 1.056 237 A CA -0.110 52.024 52.037 0.162 0.000 0.775 237 A CB 0.060 19.107 19.000 0.077 0.000 0.973 237 A HN 0.324 nan 8.150 nan 0.000 0.516 238 P HA 0.074 nan 4.420 nan 0.000 0.235 238 P C 0.222 177.753 177.300 0.384 0.000 1.177 238 P CA 0.791 64.120 63.100 0.381 0.000 0.785 238 P CB 0.367 32.176 31.700 0.181 0.000 0.885 239 R N -2.695 118.043 120.500 0.397 0.000 2.781 239 R HA 0.544 4.884 4.340 0.000 0.000 0.269 239 R C -1.444 175.110 176.300 0.423 0.000 1.025 239 R CA -0.802 55.476 56.100 0.297 0.000 0.914 239 R CB 1.063 31.425 30.300 0.104 0.000 1.236 239 R HN -0.151 nan 8.270 nan 0.000 0.465 240 C N 2.936 122.400 119.300 0.274 0.000 2.264 240 C HA 0.526 4.986 4.460 0.000 0.000 0.324 240 C C -1.694 173.397 174.990 0.167 0.000 1.267 240 C CA -1.875 57.319 59.018 0.294 0.000 1.618 240 C CB 0.684 28.443 27.740 0.032 0.000 2.278 240 C HN 0.627 nan 8.230 nan 0.000 0.499 241 P HA 0.223 nan 4.420 nan 0.000 0.274 241 P C -0.334 177.110 177.300 0.241 0.000 1.352 241 P CA 0.230 63.435 63.100 0.175 0.000 0.947 241 P CB 0.131 31.934 31.700 0.172 0.000 1.437 242 F N 1.752 121.668 119.950 -0.056 0.000 2.665 242 F HA 0.454 4.981 4.527 0.000 0.000 0.308 242 F C -2.612 173.007 175.800 -0.301 0.000 1.112 242 F CA -2.318 55.594 58.000 -0.146 0.000 0.972 242 F CB 2.161 41.106 39.000 -0.090 0.000 1.295 242 F HN -0.334 nan 8.300 nan 0.000 0.440 243 P HA 0.077 nan 4.420 nan 0.000 0.271 243 P C 0.458 177.501 177.300 -0.427 0.000 1.233 243 P CA 0.140 63.012 63.100 -0.381 0.000 0.764 243 P CB 0.759 32.257 31.700 -0.337 0.000 0.825 244 T N 0.909 115.146 114.554 -0.529 0.000 3.077 244 T HA -0.063 4.287 4.350 0.000 0.000 0.269 244 T C 1.149 175.791 174.700 -0.097 0.000 1.146 244 T CA 0.703 62.374 62.100 -0.715 0.000 1.091 244 T CB -0.342 68.320 68.868 -0.343 0.000 0.892 244 T HN 0.235 nan 8.240 nan 0.000 0.533 245 R N 0.229 120.705 120.500 -0.039 0.000 2.508 245 R HA 0.207 4.547 4.340 0.000 0.000 0.300 245 R C 0.291 176.646 176.300 0.092 0.000 0.970 245 R CA -0.341 55.793 56.100 0.058 0.000 1.102 245 R CB -0.342 29.960 30.300 0.003 0.000 1.246 245 R HN 0.598 nan 8.270 nan 0.000 0.539 246 H N 3.429 122.517 119.070 0.030 0.000 2.815 246 H HA 0.060 4.616 4.556 0.000 0.000 0.350 246 H C -1.375 174.038 175.328 0.141 0.000 1.080 246 H CA -1.198 54.883 56.048 0.055 0.000 1.433 246 H CB 1.588 31.361 29.762 0.019 0.000 1.432 246 H HN -0.129 nan 8.280 nan 0.000 0.592 247 P HA -0.178 nan 4.420 nan 0.000 0.217 247 P C 1.371 178.805 177.300 0.222 0.000 1.148 247 P CA 1.246 64.368 63.100 0.037 0.000 0.834 247 P CB -0.058 31.578 31.700 -0.107 0.000 0.783 248 C N -2.295 117.356 119.300 0.584 0.000 2.464 248 C HA 0.126 4.587 4.460 0.000 0.000 0.278 248 C C 1.486 176.527 174.990 0.085 0.000 1.375 248 C CA -0.628 58.562 59.018 0.286 0.000 1.761 248 C CB -1.883 26.006 27.740 0.249 0.000 1.944 248 C HN 0.107 nan 8.230 nan 0.000 0.509 249 F N 2.314 122.321 119.950 0.096 0.000 2.623 249 F HA 0.087 4.615 4.527 0.000 0.000 0.383 249 F C 1.284 176.907 175.800 -0.296 0.000 1.077 249 F CA 0.548 58.491 58.000 -0.095 0.000 1.268 249 F CB 0.451 39.533 39.000 0.138 0.000 1.053 249 F HN 0.048 nan 8.300 nan 0.000 0.571 250 R N 3.858 123.601 120.500 -1.263 0.000 2.565 250 R HA 0.300 4.640 4.340 0.000 0.000 0.347 250 R C 0.625 176.139 176.300 -1.311 0.000 1.010 250 R CA 0.345 55.623 56.100 -1.369 0.000 1.126 250 R CB -0.003 28.983 30.300 -2.189 0.000 1.331 250 R HN 0.973 nan 8.270 nan 0.000 0.552 251 G N 1.351 109.023 108.800 -1.879 0.000 2.725 251 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 251 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 251 G C -0.864 173.664 174.900 -0.621 0.000 1.357 251 G CA -0.466 43.981 45.100 -1.088 0.000 0.866 251 G HN 0.206 nan 8.290 nan 0.000 0.548 252 L N 0.747 121.678 121.223 -0.487 0.000 2.319 252 L HA 0.689 5.029 4.340 0.000 0.000 0.280 252 L C 1.082 177.758 176.870 -0.322 0.000 1.099 252 L CA -0.197 54.276 54.840 -0.613 0.000 0.828 252 L CB 0.542 41.975 42.059 -1.044 0.000 1.150 252 L HN 0.601 nan 8.230 nan 0.000 0.442 253 M N 7.811 127.235 119.600 -0.293 0.000 2.228 253 M HA 0.279 4.759 4.480 0.000 0.000 0.351 253 M C -1.999 174.137 176.300 -0.273 0.000 1.233 253 M CA -1.524 53.591 55.300 -0.309 0.000 1.129 253 M CB 0.494 32.820 32.600 -0.457 0.000 1.604 253 M HN 0.491 nan 8.290 nan 0.000 0.457 254 P HA 0.100 nan 4.420 nan 0.000 0.271 254 P C -0.687 176.553 177.300 -0.100 0.000 1.216 254 P CA -0.205 62.809 63.100 -0.143 0.000 0.776 254 P CB 0.579 32.213 31.700 -0.111 0.000 0.881 255 A N 3.041 125.845 122.820 -0.027 0.000 2.900 255 A HA 0.415 4.735 4.320 0.000 0.000 0.246 255 A C 0.938 178.644 177.584 0.203 0.000 1.725 255 A CA 0.145 52.241 52.037 0.098 0.000 1.400 255 A CB -1.445 17.652 19.000 0.162 0.000 0.973 255 A HN 0.644 nan 8.150 nan 0.000 0.635 256 G N -0.809 108.076 108.800 0.142 0.000 2.542 256 G HA2 0.490 4.450 3.960 0.000 0.000 0.311 256 G HA3 0.490 4.450 3.960 0.000 0.000 0.311 256 G C 0.646 175.523 174.900 -0.039 0.000 1.298 256 G CA -0.645 44.473 45.100 0.030 0.000 0.973 256 G HN 0.176 nan 8.290 nan 0.000 0.487 257 I N 1.630 121.960 120.570 -0.399 0.000 2.099 257 I HA -0.252 3.918 4.170 0.000 0.000 0.239 257 I C 3.094 179.099 176.117 -0.187 0.000 1.066 257 I CA 1.848 62.864 61.300 -0.473 0.000 1.324 257 I CB -0.148 37.450 38.000 -0.670 0.000 1.037 257 I HN 0.559 nan 8.210 nan 0.000 0.401 258 A N 0.750 123.436 122.820 -0.224 0.000 1.883 258 A HA -0.208 4.112 4.320 0.000 0.000 0.217 258 A C 2.559 180.066 177.584 -0.128 0.000 1.186 258 A CA 2.060 53.997 52.037 -0.167 0.000 0.624 258 A CB -1.043 17.850 19.000 -0.178 0.000 0.822 258 A HN 0.462 nan 8.150 nan 0.000 0.444 259 A N -0.140 122.604 122.820 -0.127 0.000 1.917 259 A HA -0.177 4.143 4.320 0.000 0.000 0.219 259 A C 2.155 179.631 177.584 -0.180 0.000 1.182 259 A CA 1.805 53.763 52.037 -0.132 0.000 0.633 259 A CB -0.651 18.278 19.000 -0.119 0.000 0.819 259 A HN 0.534 nan 8.150 nan 0.000 0.448 260 I N 0.370 120.839 120.570 -0.168 0.000 2.286 260 I HA -0.206 3.964 4.170 0.000 0.000 0.245 260 I C 2.830 178.831 176.117 -0.192 0.000 1.104 260 I CA 1.468 62.613 61.300 -0.259 0.000 1.397 260 I CB -0.297 37.551 38.000 -0.252 0.000 1.072 260 I HN 0.523 nan 8.210 nan 0.000 0.417 261 S N 0.188 115.845 115.700 -0.072 0.000 2.423 261 S HA -0.249 4.221 4.470 0.000 0.000 0.231 261 S C 1.900 176.459 174.600 -0.067 0.000 1.014 261 S CA 1.016 59.198 58.200 -0.030 0.000 0.965 261 S CB -0.322 62.880 63.200 0.003 0.000 0.785 261 S HN 0.347 nan 8.310 nan 0.000 0.495 262 Q N 1.108 120.848 119.800 -0.100 0.000 2.046 262 Q HA 0.096 4.436 4.340 0.000 0.000 0.200 262 Q C 1.978 177.914 176.000 -0.108 0.000 0.975 262 Q CA 1.233 56.981 55.803 -0.091 0.000 0.836 262 Q CB -0.825 27.855 28.738 -0.095 0.000 0.896 262 Q HN 0.459 nan 8.270 nan 0.000 0.428 263 L N -0.169 120.929 121.223 -0.208 0.000 2.042 263 L HA -0.127 4.213 4.340 0.000 0.000 0.210 263 L C 1.991 178.746 176.870 -0.191 0.000 1.076 263 L CA 1.633 56.284 54.840 -0.315 0.000 0.749 263 L CB -0.566 41.052 42.059 -0.735 0.000 0.893 263 L HN 0.313 nan 8.230 nan 0.000 0.432 264 L N -1.087 120.031 121.223 -0.176 0.000 2.554 264 L HA -0.012 4.328 4.340 0.000 0.000 0.226 264 L C 1.006 177.952 176.870 0.128 0.000 1.137 264 L CA -0.181 54.653 54.840 -0.009 0.000 0.863 264 L CB -0.384 41.636 42.059 -0.064 0.000 0.985 264 L HN 0.257 nan 8.230 nan 0.000 0.451 265 E N 0.527 120.754 120.200 0.045 0.000 2.452 265 E HA 0.115 4.465 4.350 0.000 0.000 0.261 265 E C 1.125 177.721 176.600 -0.007 0.000 0.987 265 E CA 0.847 57.260 56.400 0.021 0.000 0.926 265 E CB 0.408 30.101 29.700 -0.010 0.000 0.934 265 E HN 0.296 nan 8.360 nan 0.000 0.452 266 G N 4.093 112.867 108.800 -0.042 0.000 2.234 266 G HA2 -0.220 3.740 3.960 0.000 0.000 0.235 266 G HA3 -0.220 3.740 3.960 0.000 0.000 0.235 266 G C -0.103 174.665 174.900 -0.219 0.000 0.997 266 G CA 0.049 45.065 45.100 -0.141 0.000 0.623 266 G HN 0.711 nan 8.290 nan 0.000 0.514 267 H N 1.857 120.937 119.070 0.017 0.000 2.594 267 H HA 0.261 4.817 4.556 0.000 0.000 0.304 267 H C 1.181 176.521 175.328 0.020 0.000 1.068 267 H CA 0.262 56.325 56.048 0.025 0.000 1.308 267 H CB 1.436 31.220 29.762 0.036 0.000 1.409 267 H HN 0.472 nan 8.280 nan 0.000 0.460 268 D N 2.426 122.889 120.400 0.105 0.000 2.144 268 D HA -0.084 4.556 4.640 0.000 0.000 0.200 268 D C 0.480 176.823 176.300 0.071 0.000 0.978 268 D CA 0.572 54.612 54.000 0.067 0.000 0.833 268 D CB 0.384 41.209 40.800 0.041 0.000 0.961 268 D HN 0.108 nan 8.370 nan 0.000 0.470 269 V N 1.090 121.056 119.914 0.087 0.000 2.525 269 V HA 0.296 4.416 4.120 0.000 0.000 0.299 269 V C -0.526 175.605 176.094 0.061 0.000 1.034 269 V CA -0.980 61.357 62.300 0.062 0.000 0.863 269 V CB 2.516 34.366 31.823 0.045 0.000 0.999 269 V HN -0.074 nan 8.190 nan 0.000 0.423 270 V N 6.063 126.004 119.914 0.046 0.000 2.357 270 V HA 0.450 4.570 4.120 0.000 0.000 0.284 270 V C -0.398 175.710 176.094 0.024 0.000 1.018 270 V CA -0.566 61.752 62.300 0.029 0.000 0.841 270 V CB 1.619 33.468 31.823 0.045 0.000 0.991 270 V HN 0.659 nan 8.190 nan 0.000 0.437 271 L N 7.472 128.703 121.223 0.014 0.000 2.265 271 L HA 0.611 4.951 4.340 0.000 0.000 0.289 271 L C -0.337 176.543 176.870 0.018 0.000 1.033 271 L CA 0.233 55.079 54.840 0.010 0.000 0.814 271 L CB 1.402 43.464 42.059 0.004 0.000 1.203 271 L HN 0.440 nan 8.230 nan 0.000 0.423 272 V N 6.906 126.832 119.914 0.019 0.000 2.398 272 V HA 0.500 4.620 4.120 0.000 0.000 0.286 272 V C 0.151 176.254 176.094 0.015 0.000 1.026 272 V CA -0.419 61.904 62.300 0.039 0.000 0.868 272 V CB 1.439 33.290 31.823 0.046 0.000 0.982 272 V HN 0.602 nan 8.190 nan 0.000 0.443 273 I N 3.140 123.725 120.570 0.025 0.000 2.498 273 I HA 0.584 4.754 4.170 0.000 0.000 0.290 273 I C 1.012 177.149 176.117 0.033 0.000 1.032 273 I CA -0.595 60.718 61.300 0.021 0.000 1.073 273 I CB 1.862 39.875 38.000 0.022 0.000 1.251 273 I HN 0.823 nan 8.210 nan 0.000 0.426 274 G N 4.500 113.316 108.800 0.027 0.000 2.323 274 G HA2 -0.021 3.939 3.960 0.000 0.000 0.292 274 G HA3 -0.021 3.939 3.960 0.000 0.000 0.292 274 G C -0.057 174.880 174.900 0.062 0.000 1.040 274 G CA 0.457 45.583 45.100 0.043 0.000 0.942 274 G HN 1.094 nan 8.290 nan 0.000 0.506 275 A N -0.911 121.937 122.820 0.047 0.000 2.594 275 A HA 0.915 5.235 4.320 0.000 0.000 0.295 275 A C -2.932 174.659 177.584 0.012 0.000 1.071 275 A CA -1.311 50.756 52.037 0.051 0.000 0.685 275 A CB 1.739 20.783 19.000 0.075 0.000 1.285 275 A HN 0.098 nan 8.150 nan 0.000 0.405 276 P HA 0.395 nan 4.420 nan 0.000 0.274 276 P C -0.746 176.468 177.300 -0.143 0.000 1.231 276 P CA -0.237 62.827 63.100 -0.059 0.000 0.790 276 P CB 0.994 32.669 31.700 -0.042 0.000 0.951 277 V N 3.808 123.529 119.914 -0.322 0.000 2.257 277 V HA 0.392 4.512 4.120 0.000 0.000 0.269 277 V C -0.447 175.287 176.094 -0.601 0.000 1.040 277 V CA 0.058 61.880 62.300 -0.796 0.000 0.813 277 V CB -1.175 30.154 31.823 -0.825 0.000 1.065 277 V HN 0.458 nan 8.190 nan 0.000 0.457 278 F N 2.021 121.704 119.950 -0.445 0.000 2.599 278 F HA 0.561 5.088 4.527 0.000 0.000 0.311 278 F C 0.471 175.884 175.800 -0.644 0.000 1.076 278 F CA -1.296 56.345 58.000 -0.598 0.000 0.937 278 F CB 2.183 40.656 39.000 -0.878 0.000 1.282 278 F HN 0.155 nan 8.300 nan 0.000 0.460 279 R N 2.450 122.856 120.500 -0.157 0.000 3.688 279 R HA 0.190 4.530 4.340 0.000 0.000 0.194 279 R C -1.262 175.006 176.300 -0.054 0.000 1.677 279 R CA 0.024 56.071 56.100 -0.088 0.000 1.351 279 R CB -1.134 29.152 30.300 -0.022 0.000 1.338 279 R HN 0.436 nan 8.270 nan 0.000 0.731 280 Y N 0.582 120.960 120.300 0.130 0.000 2.335 280 Y HA 0.004 4.554 4.550 0.000 0.000 0.348 280 Y C 1.569 177.553 175.900 0.141 0.000 1.280 280 Y CA 0.201 58.376 58.100 0.125 0.000 1.504 280 Y CB 0.444 38.992 38.460 0.148 0.000 1.366 280 Y HN 0.487 nan 8.280 nan 0.000 0.621 281 H N -0.333 118.866 119.070 0.215 0.000 3.539 281 H HA 0.073 4.629 4.556 0.000 0.000 0.134 281 H C -0.081 175.291 175.328 0.073 0.000 1.139 281 H CA 0.409 56.522 56.048 0.107 0.000 1.031 281 H CB -0.032 29.765 29.762 0.057 0.000 1.174 281 H HN 0.677 nan 8.280 nan 0.000 0.297 282 Q N 1.146 121.049 119.800 0.171 0.000 2.454 282 Q HA -0.049 4.291 4.340 0.000 0.000 0.247 282 Q C -0.797 175.292 176.000 0.149 0.000 1.028 282 Q CA -0.213 55.612 55.803 0.038 0.000 0.910 282 Q CB 0.449 29.148 28.738 -0.066 0.000 1.276 282 Q HN 0.462 nan 8.270 nan 0.000 0.489 283 Y N 1.624 121.942 120.300 0.029 0.000 2.585 283 Y HA 0.174 4.724 4.550 0.000 0.000 0.354 283 Y C -0.918 174.973 175.900 -0.015 0.000 1.024 283 Y CA -0.786 57.324 58.100 0.016 0.000 1.321 283 Y CB 0.342 38.830 38.460 0.047 0.000 1.151 283 Y HN 0.723 nan 8.280 nan 0.000 0.525 284 D N 8.975 129.141 120.400 -0.390 0.000 2.607 284 D HA 0.265 4.905 4.640 0.000 0.000 0.318 284 D C -2.870 173.113 176.300 -0.528 0.000 1.212 284 D CA -2.222 51.546 54.000 -0.387 0.000 0.861 284 D CB 0.621 41.300 40.800 -0.202 0.000 1.064 284 D HN 0.250 nan 8.370 nan 0.000 0.500 285 P HA 0.318 nan 4.420 nan 0.000 0.266 285 P C 0.456 177.527 177.300 -0.380 0.000 1.193 285 P CA 0.405 63.132 63.100 -0.621 0.000 0.770 285 P CB 1.445 32.759 31.700 -0.644 0.000 0.836 286 G N 1.679 110.272 108.800 -0.346 0.000 2.399 286 G HA2 0.093 4.053 3.960 0.000 0.000 0.256 286 G HA3 0.093 4.053 3.960 0.000 0.000 0.256 286 G C -1.635 173.089 174.900 -0.294 0.000 1.236 286 G CA -0.654 44.289 45.100 -0.262 0.000 0.914 286 G HN 0.477 nan 8.290 nan 0.000 0.482 287 Q N -0.525 119.150 119.800 -0.208 0.000 2.259 287 Q HA 0.463 4.803 4.340 0.000 0.000 0.249 287 Q C 0.290 176.216 176.000 -0.124 0.000 0.914 287 Q CA -0.548 55.153 55.803 -0.170 0.000 0.904 287 Q CB 1.765 30.461 28.738 -0.070 0.000 1.213 287 Q HN 0.566 nan 8.270 nan 0.000 0.428 288 Y N 1.115 121.417 120.300 0.002 0.000 2.242 288 Y HA -0.072 4.478 4.550 0.000 0.000 0.291 288 Y C 0.554 176.505 175.900 0.083 0.000 1.137 288 Y CA 0.534 58.672 58.100 0.063 0.000 1.181 288 Y CB 0.540 39.042 38.460 0.069 0.000 0.989 288 Y HN 0.368 nan 8.280 nan 0.000 0.527 289 L N 0.145 121.487 121.223 0.198 0.000 2.472 289 L HA 0.332 4.672 4.340 0.000 0.000 0.260 289 L C -0.831 176.077 176.870 0.064 0.000 0.963 289 L CA -1.240 53.674 54.840 0.123 0.000 0.829 289 L CB 1.963 44.093 42.059 0.118 0.000 1.348 289 L HN -0.248 nan 8.230 nan 0.000 0.408 290 K N 1.890 122.313 120.400 0.038 0.000 2.237 290 K HA 0.365 4.685 4.320 0.000 0.000 0.270 290 K C -2.366 174.247 176.600 0.021 0.000 1.015 290 K CA -1.699 54.597 56.287 0.016 0.000 0.949 290 K CB 0.638 33.140 32.500 0.002 0.000 0.976 290 K HN 0.195 nan 8.250 nan 0.000 0.472 291 P HA -0.028 nan 4.420 nan 0.000 0.265 291 P C 0.645 177.953 177.300 0.013 0.000 1.187 291 P CA 0.873 63.980 63.100 0.013 0.000 0.766 291 P CB 0.409 32.113 31.700 0.005 0.000 0.820 292 G N 1.144 109.954 108.800 0.016 0.000 2.213 292 G HA2 -0.188 3.772 3.960 0.000 0.000 0.236 292 G HA3 -0.188 3.772 3.960 0.000 0.000 0.236 292 G C 0.205 175.121 174.900 0.027 0.000 0.991 292 G CA 0.001 45.110 45.100 0.015 0.000 0.629 292 G HN 0.624 nan 8.290 nan 0.000 0.517 293 T N 1.430 116.005 114.554 0.036 0.000 2.771 293 T HA 0.617 4.967 4.350 0.000 0.000 0.281 293 T C 0.028 174.756 174.700 0.046 0.000 0.982 293 T CA -0.351 61.780 62.100 0.053 0.000 0.978 293 T CB 1.870 70.777 68.868 0.066 0.000 0.930 293 T HN 0.527 nan 8.240 nan 0.000 0.447 294 R N 3.630 124.157 120.500 0.044 0.000 2.562 294 R HA 0.688 5.029 4.340 0.000 0.000 0.298 294 R C -1.486 174.831 176.300 0.029 0.000 0.961 294 R CA -0.766 55.352 56.100 0.030 0.000 0.881 294 R CB 1.122 31.436 30.300 0.023 0.000 1.159 294 R HN 0.590 nan 8.270 nan 0.000 0.450 295 L N 5.559 126.789 121.223 0.012 0.000 2.346 295 L HA 0.597 4.937 4.340 0.000 0.000 0.276 295 L C -1.304 175.552 176.870 -0.024 0.000 1.006 295 L CA -0.761 54.078 54.840 -0.001 0.000 0.817 295 L CB 1.629 43.679 42.059 -0.015 0.000 1.272 295 L HN 0.663 nan 8.230 nan 0.000 0.421 296 I N 3.695 124.252 120.570 -0.021 0.000 2.447 296 I HA 0.318 4.488 4.170 0.000 0.000 0.287 296 I C -0.550 175.543 176.117 -0.039 0.000 1.023 296 I CA -0.329 60.953 61.300 -0.029 0.000 1.083 296 I CB 2.069 40.060 38.000 -0.014 0.000 1.245 296 I HN 0.516 nan 8.210 nan 0.000 0.434 297 S N 5.695 121.360 115.700 -0.059 0.000 2.454 297 S HA 0.630 5.100 4.470 0.000 0.000 0.306 297 S C -0.780 173.792 174.600 -0.047 0.000 1.100 297 S CA -0.478 57.683 58.200 -0.066 0.000 1.087 297 S CB 1.312 64.443 63.200 -0.115 0.000 1.019 297 S HN 0.325 nan 8.310 nan 0.000 0.480 298 V N 4.932 124.826 119.914 -0.032 0.000 2.313 298 V HA 0.539 4.659 4.120 0.000 0.000 0.278 298 V C 0.430 176.509 176.094 -0.025 0.000 1.017 298 V CA -0.453 61.831 62.300 -0.025 0.000 0.823 298 V CB 0.941 32.756 31.823 -0.013 0.000 1.010 298 V HN 0.935 nan 8.190 nan 0.000 0.443 299 T N 3.227 117.760 114.554 -0.034 0.000 2.916 299 T HA 0.286 4.636 4.350 0.000 0.000 0.292 299 T C 0.843 175.511 174.700 -0.053 0.000 1.055 299 T CA -0.107 61.972 62.100 -0.035 0.000 1.009 299 T CB 1.462 70.308 68.868 -0.037 0.000 1.118 299 T HN 0.820 nan 8.240 nan 0.000 0.497 300 C N 1.427 120.678 119.300 -0.081 0.000 2.791 300 C HA 0.492 4.952 4.460 0.000 0.000 0.270 300 C C 0.368 175.256 174.990 -0.170 0.000 1.257 300 C CA -0.538 58.403 59.018 -0.130 0.000 1.699 300 C CB -1.196 26.436 27.740 -0.180 0.000 1.904 300 C HN 0.738 nan 8.230 nan 0.000 0.603 301 D N 1.166 121.490 120.400 -0.127 0.000 2.481 301 D HA 0.360 5.000 4.640 0.000 0.000 0.246 301 D C -1.953 174.323 176.300 -0.041 0.000 1.109 301 D CA -1.743 52.198 54.000 -0.099 0.000 0.845 301 D CB 2.180 42.961 40.800 -0.031 0.000 1.160 301 D HN -0.093 nan 8.370 nan 0.000 0.534 302 P HA -0.076 nan 4.420 nan 0.000 0.216 302 P C 1.754 179.056 177.300 0.003 0.000 1.150 302 P CA 0.801 63.892 63.100 -0.015 0.000 0.837 302 P CB 0.397 32.093 31.700 -0.007 0.000 0.786 303 L N -0.797 120.442 121.223 0.026 0.000 2.131 303 L HA -0.190 4.150 4.340 0.000 0.000 0.210 303 L C 2.330 179.220 176.870 0.033 0.000 1.092 303 L CA 1.523 56.396 54.840 0.054 0.000 0.759 303 L CB -0.694 41.433 42.059 0.115 0.000 0.903 303 L HN 0.077 nan 8.230 nan 0.000 0.435 304 E N -0.083 120.127 120.200 0.017 0.000 2.046 304 E HA -0.149 4.201 4.350 0.000 0.000 0.190 304 E C 2.326 178.899 176.600 -0.045 0.000 0.982 304 E CA 0.986 57.380 56.400 -0.009 0.000 0.800 304 E CB -0.085 29.615 29.700 -0.001 0.000 0.756 304 E HN 0.457 nan 8.360 nan 0.000 0.449 305 A N 1.264 124.059 122.820 -0.042 0.000 1.933 305 A HA -0.129 4.191 4.320 0.000 0.000 0.218 305 A C 2.303 179.855 177.584 -0.054 0.000 1.175 305 A CA 1.687 53.690 52.037 -0.057 0.000 0.628 305 A CB -0.532 18.441 19.000 -0.045 0.000 0.814 305 A HN 0.304 nan 8.150 nan 0.000 0.444 306 A N 0.788 123.589 122.820 -0.032 0.000 1.873 306 A HA -0.129 4.191 4.320 0.000 0.000 0.215 306 A C 2.175 179.738 177.584 -0.034 0.000 1.186 306 A CA 1.518 53.541 52.037 -0.025 0.000 0.616 306 A CB -0.443 18.556 19.000 -0.003 0.000 0.823 306 A HN 0.694 nan 8.150 nan 0.000 0.442 307 R N -0.300 120.181 120.500 -0.032 0.000 2.299 307 R HA 0.406 4.746 4.340 0.000 0.000 0.197 307 R C 0.771 177.017 176.300 -0.090 0.000 0.971 307 R CA 0.571 56.648 56.100 -0.039 0.000 1.030 307 R CB -0.570 29.726 30.300 -0.008 0.000 0.932 307 R HN 0.276 nan 8.270 nan 0.000 0.477 308 A N 3.640 126.384 122.820 -0.127 0.000 2.545 308 A HA 0.120 4.440 4.320 0.000 0.000 0.253 308 A C -1.406 176.041 177.584 -0.228 0.000 1.074 308 A CA -1.106 50.806 52.037 -0.209 0.000 0.760 308 A CB 0.140 19.007 19.000 -0.220 0.000 1.005 308 A HN 0.305 nan 8.150 nan 0.000 0.506 309 P HA 0.029 nan 4.420 nan 0.000 0.245 309 P C -0.142 176.934 177.300 -0.373 0.000 1.212 309 P CA 0.770 63.612 63.100 -0.430 0.000 0.774 309 P CB -0.114 31.059 31.700 -0.878 0.000 0.999 310 M N -2.991 116.430 119.600 -0.299 0.000 2.833 310 M HA 0.580 5.060 4.480 0.000 0.000 0.270 310 M C -0.439 175.772 176.300 -0.148 0.000 1.209 310 M CA -0.061 55.135 55.300 -0.174 0.000 0.826 310 M CB 1.080 33.606 32.600 -0.123 0.000 1.657 310 M HN 0.033 nan 8.290 nan 0.000 0.492 311 G N 1.579 110.327 108.800 -0.087 0.000 2.829 311 G HA2 -0.066 3.894 3.960 0.000 0.000 0.628 311 G HA3 -0.066 3.894 3.960 0.000 0.000 0.628 311 G C -1.342 173.515 174.900 -0.071 0.000 1.412 311 G CA -0.099 44.956 45.100 -0.074 0.000 0.864 311 G HN 1.020 nan 8.290 nan 0.000 0.544 312 D N 0.053 120.420 120.400 -0.055 0.000 2.388 312 D HA 0.751 5.391 4.640 0.000 0.000 0.254 312 D C 0.662 176.927 176.300 -0.058 0.000 1.111 312 D CA 0.870 54.841 54.000 -0.048 0.000 0.993 312 D CB 1.657 42.438 40.800 -0.032 0.000 1.118 312 D HN 1.283 nan 8.370 nan 0.000 0.502 313 A N 0.427 123.217 122.820 -0.050 0.000 2.572 313 A HA 0.707 5.027 4.320 0.000 0.000 0.295 313 A C -1.248 176.313 177.584 -0.039 0.000 1.072 313 A CA -0.623 51.383 52.037 -0.053 0.000 0.691 313 A CB 1.250 20.212 19.000 -0.064 0.000 1.291 313 A HN 0.457 nan 8.150 nan 0.000 0.404 314 I N 1.533 122.081 120.570 -0.037 0.000 2.478 314 I HA 0.348 4.518 4.170 0.000 0.000 0.287 314 I C -0.938 175.160 176.117 -0.032 0.000 1.042 314 I CA -0.871 60.411 61.300 -0.029 0.000 1.067 314 I CB 2.129 40.115 38.000 -0.023 0.000 1.233 314 I HN 0.311 nan 8.210 nan 0.000 0.431 315 V N 5.909 125.804 119.914 -0.032 0.000 2.348 315 V HA 0.829 4.949 4.120 0.000 0.000 0.270 315 V C 0.366 176.439 176.094 -0.036 0.000 1.037 315 V CA -0.029 62.249 62.300 -0.037 0.000 0.872 315 V CB 0.584 32.385 31.823 -0.037 0.000 1.002 315 V HN 0.899 nan 8.190 nan 0.000 0.464 316 A N 3.738 126.535 122.820 -0.039 0.000 2.493 316 A HA 0.623 4.943 4.320 0.000 0.000 0.300 316 A C -1.194 176.366 177.584 -0.039 0.000 1.152 316 A CA -0.753 51.264 52.037 -0.034 0.000 0.643 316 A CB 0.948 19.934 19.000 -0.024 0.000 1.316 316 A HN 0.669 nan 8.150 nan 0.000 0.469 317 D N 0.225 120.607 120.400 -0.030 0.000 2.383 317 D HA 0.310 4.950 4.640 0.000 0.000 0.252 317 D C 1.127 177.417 176.300 -0.018 0.000 1.166 317 D CA -0.331 53.652 54.000 -0.028 0.000 0.879 317 D CB 0.338 41.128 40.800 -0.017 0.000 1.164 317 D HN 0.283 nan 8.370 nan 0.000 0.462 318 I N 3.768 124.327 120.570 -0.019 0.000 2.286 318 I HA -0.082 4.088 4.170 0.000 0.000 0.248 318 I C 2.231 178.352 176.117 0.007 0.000 1.115 318 I CA 1.109 62.408 61.300 -0.003 0.000 1.392 318 I CB -1.548 36.455 38.000 0.004 0.000 1.065 318 I HN 0.656 nan 8.210 nan 0.000 0.418 319 G N 0.724 109.528 108.800 0.007 0.000 2.414 319 G HA2 -0.176 3.784 3.960 0.000 0.000 0.215 319 G HA3 -0.176 3.784 3.960 0.000 0.000 0.215 319 G C 1.887 176.793 174.900 0.010 0.000 1.188 319 G CA 1.051 46.158 45.100 0.013 0.000 0.783 319 G HN 0.473 nan 8.290 nan 0.000 0.537 320 A N 0.471 123.295 122.820 0.006 0.000 1.883 320 A HA -0.034 4.286 4.320 0.000 0.000 0.217 320 A C 2.469 180.056 177.584 0.004 0.000 1.186 320 A CA 2.176 54.215 52.037 0.004 0.000 0.624 320 A CB -0.370 18.631 19.000 0.001 0.000 0.822 320 A HN 0.303 nan 8.150 nan 0.000 0.444 321 M N -0.553 119.048 119.600 0.002 0.000 2.099 321 M HA -0.094 4.386 4.480 0.000 0.000 0.262 321 M C 2.584 178.889 176.300 0.009 0.000 1.067 321 M CA 1.607 56.908 55.300 0.003 0.000 1.124 321 M CB -1.590 31.010 32.600 -0.001 0.000 1.353 321 M HN 0.489 nan 8.290 nan 0.000 0.410 322 A N -0.303 122.525 122.820 0.014 0.000 1.883 322 A HA -0.198 4.122 4.320 0.000 0.000 0.217 322 A C 2.507 180.104 177.584 0.021 0.000 1.186 322 A CA 2.541 54.591 52.037 0.022 0.000 0.624 322 A CB -1.059 17.959 19.000 0.029 0.000 0.822 322 A HN 0.516 nan 8.150 nan 0.000 0.444 323 S N -0.497 115.213 115.700 0.017 0.000 2.348 323 S HA -0.056 4.414 4.470 0.000 0.000 0.221 323 S C 2.244 176.851 174.600 0.013 0.000 1.033 323 S CA 1.792 60.001 58.200 0.014 0.000 1.010 323 S CB -0.636 62.571 63.200 0.011 0.000 0.891 323 S HN 0.925 nan 8.310 nan 0.000 0.442 324 A N 1.685 124.511 122.820 0.010 0.000 1.873 324 A HA -0.054 4.266 4.320 0.000 0.000 0.218 324 A C 2.312 179.902 177.584 0.010 0.000 1.193 324 A CA 1.844 53.886 52.037 0.008 0.000 0.629 324 A CB -1.089 17.914 19.000 0.005 0.000 0.826 324 A HN 0.597 nan 8.150 nan 0.000 0.447 325 L N -0.921 120.309 121.223 0.012 0.000 2.017 325 L HA -0.217 4.123 4.340 0.000 0.000 0.208 325 L C 3.111 179.991 176.870 0.018 0.000 1.073 325 L CA 1.137 55.985 54.840 0.014 0.000 0.745 325 L CB -0.608 41.459 42.059 0.014 0.000 0.894 325 L HN 0.457 nan 8.230 nan 0.000 0.432 326 A N 0.149 122.981 122.820 0.021 0.000 1.978 326 A HA -0.188 4.132 4.320 0.000 0.000 0.220 326 A C 1.829 179.426 177.584 0.021 0.000 1.170 326 A CA 1.843 53.895 52.037 0.025 0.000 0.636 326 A CB -0.458 18.558 19.000 0.027 0.000 0.810 326 A HN 0.513 nan 8.150 nan 0.000 0.448 327 N N -0.895 117.815 118.700 0.016 0.000 2.280 327 N HA 0.190 4.930 4.740 0.000 0.000 0.192 327 N C 1.096 176.614 175.510 0.012 0.000 1.109 327 N CA 0.404 53.462 53.050 0.014 0.000 0.855 327 N CB 0.393 38.886 38.487 0.011 0.000 0.974 327 N HN 0.486 nan 8.380 nan 0.000 0.482 328 L N 0.210 121.441 121.223 0.013 0.000 2.577 328 L HA 0.186 4.526 4.340 0.000 0.000 0.225 328 L C 0.649 177.526 176.870 0.013 0.000 1.053 328 L CA 0.031 54.878 54.840 0.011 0.000 0.866 328 L CB 0.116 42.180 42.059 0.009 0.000 1.132 328 L HN -0.106 nan 8.230 nan 0.000 0.486 329 V N -0.711 119.212 119.914 0.015 0.000 2.872 329 V HA 0.072 4.192 4.120 0.000 0.000 0.307 329 V C 0.165 176.270 176.094 0.018 0.000 1.072 329 V CA -0.720 61.590 62.300 0.017 0.000 1.148 329 V CB 0.246 32.081 31.823 0.020 0.000 0.954 329 V HN 0.195 nan 8.190 nan 0.000 0.490 330 E N 1.649 121.859 120.200 0.017 0.000 2.349 330 E HA 0.291 4.641 4.350 0.000 0.000 0.262 330 E C -0.346 176.267 176.600 0.021 0.000 1.088 330 E CA -0.523 55.887 56.400 0.017 0.000 0.899 330 E CB 0.889 30.599 29.700 0.015 0.000 1.044 330 E HN 0.908 nan 8.360 nan 0.000 0.420 331 E N 1.561 121.773 120.200 0.021 0.000 2.104 331 E HA 0.025 4.375 4.350 0.000 0.000 0.278 331 E C -0.662 175.952 176.600 0.023 0.000 1.127 331 E CA -0.076 56.339 56.400 0.024 0.000 0.897 331 E CB 0.532 30.245 29.700 0.022 0.000 1.043 331 E HN 0.323 nan 8.360 nan 0.000 0.410 332 S N 3.081 118.798 115.700 0.027 0.000 2.572 332 S HA 0.021 4.491 4.470 0.000 0.000 0.279 332 S C 1.054 175.668 174.600 0.024 0.000 1.341 332 S CA 0.148 58.363 58.200 0.026 0.000 1.043 332 S CB 0.537 63.755 63.200 0.030 0.000 0.887 332 S HN 0.658 nan 8.310 nan 0.000 0.516 333 S N 4.102 119.814 115.700 0.020 0.000 2.562 333 S HA 0.167 4.637 4.470 0.000 0.000 0.221 333 S C 0.741 175.352 174.600 0.018 0.000 0.975 333 S CA -0.279 57.931 58.200 0.017 0.000 0.918 333 S CB -0.145 63.063 63.200 0.014 0.000 0.772 333 S HN 0.712 nan 8.310 nan 0.000 0.531 334 R N 1.523 122.036 120.500 0.022 0.000 2.827 334 R HA 0.159 4.499 4.340 0.000 0.000 0.269 334 R C 0.075 176.390 176.300 0.024 0.000 1.048 334 R CA -0.045 56.068 56.100 0.023 0.000 1.173 334 R CB 0.181 30.498 30.300 0.028 0.000 1.070 334 R HN 0.354 nan 8.270 nan 0.000 0.498 335 Q N 1.636 121.449 119.800 0.021 0.000 2.304 335 Q HA 0.061 4.401 4.340 0.000 0.000 0.260 335 Q C -0.245 175.771 176.000 0.027 0.000 0.965 335 Q CA -0.358 55.457 55.803 0.020 0.000 0.898 335 Q CB 0.850 29.596 28.738 0.014 0.000 1.196 335 Q HN 0.282 nan 8.270 nan 0.000 0.402 336 L N 5.257 126.497 121.223 0.029 0.000 2.490 336 L HA 0.130 4.470 4.340 0.000 0.000 0.274 336 L C -2.101 174.789 176.870 0.034 0.000 1.201 336 L CA -0.734 54.131 54.840 0.042 0.000 0.869 336 L CB -0.002 42.080 42.059 0.039 0.000 1.123 336 L HN 0.428 nan 8.230 nan 0.000 0.484 337 P HA 0.050 nan 4.420 nan 0.000 0.266 337 P C -0.963 176.347 177.300 0.016 0.000 1.193 337 P CA 0.039 63.155 63.100 0.026 0.000 0.770 337 P CB 0.266 31.980 31.700 0.023 0.000 0.836 338 T N 1.803 116.358 114.554 0.001 0.000 2.856 338 T HA 0.431 4.781 4.350 0.000 0.000 0.292 338 T C 0.342 175.037 174.700 -0.008 0.000 0.980 338 T CA -0.329 61.767 62.100 -0.006 0.000 1.091 338 T CB 0.551 69.414 68.868 -0.008 0.000 0.936 338 T HN 0.465 nan 8.240 nan 0.000 0.503 339 A N 2.692 125.508 122.820 -0.007 0.000 2.531 339 A HA 0.524 4.844 4.320 0.000 0.000 0.236 339 A C 0.874 178.455 177.584 -0.005 0.000 1.062 339 A CA -0.422 51.617 52.037 0.004 0.000 0.760 339 A CB -0.257 18.742 19.000 -0.002 0.000 0.995 339 A HN 1.085 nan 8.150 nan 0.000 0.501 340 A N 3.968 126.785 122.820 -0.004 0.000 2.445 340 A HA 0.538 4.858 4.320 0.000 0.000 0.242 340 A C -1.359 176.224 177.584 -0.002 0.000 1.075 340 A CA -0.868 51.156 52.037 -0.021 0.000 0.777 340 A CB -0.528 18.446 19.000 -0.043 0.000 1.013 340 A HN 0.807 nan 8.150 nan 0.000 0.493 341 P HA 0.151 nan 4.420 nan 0.000 0.272 341 P C -0.471 176.832 177.300 0.006 0.000 1.223 341 P CA -0.342 62.758 63.100 -0.000 0.000 0.784 341 P CB 0.546 32.244 31.700 -0.003 0.000 0.923 342 E N 2.359 122.563 120.200 0.008 0.000 2.413 342 E HA 0.095 4.446 4.350 0.000 0.000 0.263 342 E C -1.524 175.082 176.600 0.010 0.000 1.015 342 E CA -0.933 55.474 56.400 0.012 0.000 0.916 342 E CB -0.302 29.404 29.700 0.010 0.000 0.947 342 E HN 0.445 nan 8.360 nan 0.000 0.440 343 P HA 0.074 nan 4.420 nan 0.000 0.269 343 P C -0.681 176.625 177.300 0.011 0.000 1.215 343 P CA -0.272 62.835 63.100 0.012 0.000 0.780 343 P CB 0.587 32.297 31.700 0.017 0.000 0.898 344 A N 2.706 125.530 122.820 0.006 0.000 2.425 344 A HA 0.128 4.448 4.320 0.000 0.000 0.242 344 A C 0.598 178.184 177.584 0.004 0.000 1.077 344 A CA -0.162 51.877 52.037 0.003 0.000 0.781 344 A CB -0.078 18.920 19.000 -0.003 0.000 1.020 344 A HN 0.525 nan 8.150 nan 0.000 0.494 345 K N 2.811 123.212 120.400 0.002 0.000 2.284 345 K HA 0.349 4.669 4.320 0.000 0.000 0.287 345 K C -0.612 175.979 176.600 -0.015 0.000 1.081 345 K CA -0.112 56.176 56.287 0.002 0.000 0.910 345 K CB 0.359 32.863 32.500 0.007 0.000 1.088 345 K HN 0.439 nan 8.250 nan 0.000 0.478 346 V N 3.733 123.629 119.914 -0.030 0.000 2.811 346 V HA -0.030 4.090 4.120 0.000 0.000 0.302 346 V C 0.503 176.548 176.094 -0.082 0.000 1.063 346 V CA -0.288 61.961 62.300 -0.085 0.000 1.088 346 V CB 0.737 32.469 31.823 -0.151 0.000 0.982 346 V HN 0.709 nan 8.190 nan 0.000 0.485 347 D N 2.911 123.247 120.400 -0.106 0.000 2.458 347 D HA 0.244 4.884 4.640 0.000 0.000 0.243 347 D C -0.047 176.247 176.300 -0.010 0.000 1.146 347 D CA 0.363 54.333 54.000 -0.049 0.000 0.877 347 D CB 0.975 41.754 40.800 -0.035 0.000 1.176 347 D HN 0.529 nan 8.370 nan 0.000 0.461 348 Q N 2.265 122.104 119.800 0.066 0.000 2.337 348 Q HA 0.206 4.546 4.340 0.000 0.000 0.260 348 Q C -1.292 174.766 176.000 0.096 0.000 0.982 348 Q CA -0.759 55.133 55.803 0.149 0.000 0.734 348 Q CB 0.939 29.753 28.738 0.127 0.000 1.272 348 Q HN 0.382 nan 8.270 nan 0.000 0.461 349 D N 1.841 122.301 120.400 0.099 0.000 2.376 349 D HA 0.329 4.969 4.640 0.000 0.000 0.268 349 D C 0.346 176.669 176.300 0.038 0.000 1.252 349 D CA 0.021 54.055 54.000 0.056 0.000 1.041 349 D CB 0.400 41.230 40.800 0.050 0.000 1.109 349 D HN 0.426 nan 8.370 nan 0.000 0.552 350 A N -1.140 121.695 122.820 0.025 0.000 2.302 350 A HA 0.454 4.774 4.320 0.000 0.000 0.219 350 A C 1.045 178.633 177.584 0.007 0.000 1.243 350 A CA 0.400 52.446 52.037 0.016 0.000 0.856 350 A CB -1.084 17.925 19.000 0.014 0.000 0.893 350 A HN 0.530 nan 8.150 nan 0.000 0.491 351 G N -0.571 108.229 108.800 0.001 0.000 2.773 351 G HA2 0.422 4.382 3.960 0.000 0.000 0.186 351 G HA3 0.422 4.382 3.960 0.000 0.000 0.186 351 G C -0.007 174.871 174.900 -0.036 0.000 1.411 351 G CA -1.028 44.064 45.100 -0.014 0.000 1.054 351 G HN 0.434 nan 8.290 nan 0.000 0.579 352 R N -0.754 119.712 120.500 -0.057 0.000 2.697 352 R HA 0.140 4.480 4.340 0.000 0.000 0.265 352 R C -0.605 175.611 176.300 -0.140 0.000 1.009 352 R CA -0.102 55.947 56.100 -0.084 0.000 1.099 352 R CB 0.090 30.337 30.300 -0.089 0.000 0.965 352 R HN 0.139 nan 8.270 nan 0.000 0.428 353 L N 2.751 123.902 121.223 -0.120 0.000 2.375 353 L HA 0.194 4.534 4.340 0.000 0.000 0.271 353 L C 0.701 177.464 176.870 -0.179 0.000 1.107 353 L CA -0.056 54.712 54.840 -0.120 0.000 0.806 353 L CB 0.478 42.497 42.059 -0.067 0.000 1.146 353 L HN 0.366 nan 8.230 nan 0.000 0.447 354 H N 2.159 121.211 119.070 -0.030 0.000 2.525 354 H HA 0.153 4.709 4.556 0.000 0.000 0.339 354 H C -1.636 173.653 175.328 -0.064 0.000 1.109 354 H CA -1.579 54.454 56.048 -0.025 0.000 1.352 354 H CB 1.407 31.166 29.762 -0.004 0.000 1.461 354 H HN 0.379 nan 8.280 nan 0.000 0.533 355 P HA -0.181 nan 4.420 nan 0.000 0.215 355 P C 1.072 178.324 177.300 -0.079 0.000 1.157 355 P CA 1.409 64.451 63.100 -0.097 0.000 0.874 355 P CB 0.456 32.201 31.700 0.073 0.000 0.790 356 E N -1.026 119.256 120.200 0.138 0.000 2.086 356 E HA -0.182 4.168 4.350 0.000 0.000 0.200 356 E C 2.021 178.683 176.600 0.103 0.000 1.012 356 E CA 1.988 58.498 56.400 0.182 0.000 0.812 356 E CB -1.594 28.169 29.700 0.105 0.000 0.743 356 E HN 0.236 nan 8.360 nan 0.000 0.453 357 T N 0.321 114.913 114.554 0.064 0.000 2.720 357 T HA -0.153 4.197 4.350 0.000 0.000 0.268 357 T C 2.004 176.692 174.700 -0.020 0.000 1.037 357 T CA 1.410 63.533 62.100 0.037 0.000 1.144 357 T CB -0.394 68.509 68.868 0.058 0.000 0.864 357 T HN -0.026 nan 8.240 nan 0.000 0.444 358 V N 0.775 120.611 119.914 -0.131 0.000 2.287 358 V HA -0.159 3.961 4.120 0.000 0.000 0.248 358 V C 2.093 178.078 176.094 -0.181 0.000 1.053 358 V CA 1.767 63.931 62.300 -0.226 0.000 1.027 358 V CB -0.871 30.692 31.823 -0.434 0.000 0.646 358 V HN 0.486 nan 8.190 nan 0.000 0.447 359 F N 0.287 120.243 119.950 0.010 0.000 2.134 359 F HA -0.171 4.356 4.527 0.000 0.000 0.299 359 F C 2.420 178.208 175.800 -0.019 0.000 1.097 359 F CA 1.438 59.423 58.000 -0.024 0.000 1.264 359 F CB -0.454 38.517 39.000 -0.048 0.000 1.001 359 F HN 0.182 nan 8.300 nan 0.000 0.479 360 D N -0.163 120.335 120.400 0.163 0.000 2.104 360 D HA -0.142 4.498 4.640 0.000 0.000 0.194 360 D C 2.251 178.595 176.300 0.073 0.000 0.994 360 D CA 1.841 55.899 54.000 0.096 0.000 0.830 360 D CB -0.829 40.013 40.800 0.070 0.000 0.959 360 D HN 0.169 nan 8.370 nan 0.000 0.452 361 T N 1.071 115.660 114.554 0.057 0.000 2.708 361 T HA -0.074 4.276 4.350 0.000 0.000 0.266 361 T C 2.238 176.979 174.700 0.068 0.000 1.037 361 T CA 0.495 62.623 62.100 0.046 0.000 1.146 361 T CB -0.353 68.529 68.868 0.024 0.000 0.865 361 T HN 0.108 nan 8.240 nan 0.000 0.435 362 L N 1.246 122.526 121.223 0.094 0.000 2.012 362 L HA -0.166 4.174 4.340 0.000 0.000 0.210 362 L C 2.722 179.692 176.870 0.166 0.000 1.073 362 L CA 1.345 56.277 54.840 0.153 0.000 0.748 362 L CB -0.601 41.598 42.059 0.234 0.000 0.891 362 L HN 0.407 nan 8.230 nan 0.000 0.431 363 N N -0.303 118.474 118.700 0.128 0.000 2.104 363 N HA -0.215 4.525 4.740 0.000 0.000 0.190 363 N C 1.274 176.833 175.510 0.081 0.000 1.024 363 N CA 1.541 54.651 53.050 0.099 0.000 0.853 363 N CB 0.102 38.620 38.487 0.052 0.000 1.008 363 N HN 0.337 nan 8.380 nan 0.000 0.424 364 D N 0.295 120.735 120.400 0.066 0.000 2.149 364 D HA -0.083 4.557 4.640 0.000 0.000 0.201 364 D C 1.826 178.154 176.300 0.046 0.000 0.972 364 D CA 1.035 55.064 54.000 0.048 0.000 0.835 364 D CB -0.035 40.788 40.800 0.038 0.000 0.966 364 D HN 0.448 nan 8.370 nan 0.000 0.476 365 M N 0.277 119.910 119.600 0.055 0.000 2.486 365 M HA 0.172 4.652 4.480 0.000 0.000 0.264 365 M C 0.941 177.266 176.300 0.042 0.000 1.125 365 M CA -0.008 55.318 55.300 0.043 0.000 1.144 365 M CB 0.429 33.052 32.600 0.039 0.000 1.353 365 M HN -0.193 nan 8.290 nan 0.000 0.466 366 A N 2.682 125.544 122.820 0.069 0.000 2.425 366 A HA 0.381 4.701 4.320 0.000 0.000 0.249 366 A C -2.054 175.545 177.584 0.025 0.000 1.084 366 A CA -1.206 50.859 52.037 0.047 0.000 0.781 366 A CB -0.660 18.401 19.000 0.101 0.000 1.019 366 A HN 0.127 nan 8.150 nan 0.000 0.490 367 P HA 0.045 nan 4.420 nan 0.000 0.269 367 P C 0.192 177.486 177.300 -0.010 0.000 1.217 367 P CA -0.028 63.062 63.100 -0.017 0.000 0.783 367 P CB 0.531 32.208 31.700 -0.037 0.000 0.898 368 E N 1.243 121.440 120.200 -0.005 0.000 2.265 368 E HA -0.150 4.200 4.350 0.000 0.000 0.196 368 E C 0.842 177.436 176.600 -0.009 0.000 0.996 368 E CA 0.930 57.331 56.400 0.001 0.000 0.832 368 E CB -0.269 29.427 29.700 -0.005 0.000 0.756 368 E HN 0.536 nan 8.360 nan 0.000 0.491 369 N N 0.642 119.325 118.700 -0.028 0.000 2.321 369 N HA 0.138 4.878 4.740 0.000 0.000 0.242 369 N C -0.186 175.282 175.510 -0.069 0.000 1.141 369 N CA -0.121 52.906 53.050 -0.037 0.000 0.864 369 N CB 0.222 38.690 38.487 -0.033 0.000 1.100 369 N HN -0.062 nan 8.380 nan 0.000 0.510 370 A N 0.785 123.540 122.820 -0.109 0.000 2.406 370 A HA 0.480 4.800 4.320 0.000 0.000 0.243 370 A C 0.093 177.512 177.584 -0.275 0.000 1.082 370 A CA -0.164 51.728 52.037 -0.242 0.000 0.786 370 A CB 0.166 18.930 19.000 -0.393 0.000 1.029 370 A HN 0.399 nan 8.150 nan 0.000 0.495 371 I N 1.059 121.440 120.570 -0.315 0.000 2.418 371 I HA 0.320 4.490 4.170 0.000 0.000 0.287 371 I C -1.237 174.731 176.117 -0.248 0.000 1.008 371 I CA -0.245 60.958 61.300 -0.163 0.000 1.104 371 I CB 1.253 39.246 38.000 -0.011 0.000 1.264 371 I HN 0.614 nan 8.210 nan 0.000 0.438 372 Y N 6.073 126.391 120.300 0.031 0.000 2.387 372 Y HA 0.652 5.202 4.550 0.000 0.000 0.330 372 Y C -0.367 175.536 175.900 0.005 0.000 1.133 372 Y CA -0.816 57.300 58.100 0.027 0.000 1.152 372 Y CB 1.478 39.964 38.460 0.044 0.000 1.215 372 Y HN 0.330 nan 8.280 nan 0.000 0.466 373 L N 2.554 123.875 121.223 0.164 0.000 2.386 373 L HA 0.400 4.740 4.340 0.000 0.000 0.271 373 L C -0.631 176.300 176.870 0.102 0.000 0.993 373 L CA -0.509 54.377 54.840 0.076 0.000 0.819 373 L CB 1.966 44.060 42.059 0.058 0.000 1.294 373 L HN 0.669 nan 8.230 nan 0.000 0.414 374 N N 1.953 120.697 118.700 0.073 0.000 2.399 374 N HA 0.329 5.069 4.740 0.000 0.000 0.280 374 N C -0.817 174.902 175.510 0.348 0.000 1.008 374 N CA -0.226 52.971 53.050 0.244 0.000 0.894 374 N CB 1.270 39.944 38.487 0.312 0.000 1.273 374 N HN 0.763 nan 8.380 nan 0.000 0.486 375 E N 2.452 122.823 120.200 0.285 0.000 3.843 375 E HA 0.048 4.398 4.350 0.000 0.000 0.189 375 E C -1.314 175.430 176.600 0.241 0.000 1.013 375 E CA -0.099 56.446 56.400 0.241 0.000 1.395 375 E CB 0.472 30.266 29.700 0.156 0.000 1.136 375 E HN 0.357 nan 8.360 nan 0.000 0.444 376 S N 0.449 116.322 115.700 0.289 0.000 2.217 376 S HA 0.051 4.521 4.470 0.000 0.000 0.168 376 S C 1.433 176.198 174.600 0.276 0.000 1.526 376 S CA 0.128 58.481 58.200 0.255 0.000 1.150 376 S CB 0.051 63.415 63.200 0.274 0.000 1.158 376 S HN 0.469 nan 8.310 nan 0.000 0.473 377 T N 0.283 115.001 114.554 0.274 0.000 2.795 377 T HA -0.207 4.143 4.350 0.000 0.000 0.266 377 T C 1.619 176.440 174.700 0.201 0.000 1.056 377 T CA 2.036 64.303 62.100 0.278 0.000 1.141 377 T CB -0.690 68.322 68.868 0.240 0.000 0.840 377 T HN 0.689 nan 8.240 nan 0.000 0.493 378 S N 0.538 116.336 115.700 0.163 0.000 2.556 378 S HA 0.170 4.640 4.470 0.000 0.000 0.216 378 S C 1.539 176.171 174.600 0.054 0.000 0.970 378 S CA 0.238 58.485 58.200 0.078 0.000 0.912 378 S CB -0.148 63.095 63.200 0.071 0.000 0.790 378 S HN 0.781 nan 8.310 nan 0.000 0.504 379 T N -3.080 111.558 114.554 0.141 0.000 3.091 379 T HA 0.209 4.559 4.350 0.000 0.000 0.277 379 T C 1.233 176.015 174.700 0.136 0.000 0.996 379 T CA 0.263 62.476 62.100 0.189 0.000 0.897 379 T CB -0.244 68.849 68.868 0.375 0.000 1.109 379 T HN 0.144 nan 8.240 nan 0.000 0.534 380 T N 2.403 117.019 114.554 0.103 0.000 2.665 380 T HA -0.099 4.251 4.350 0.000 0.000 0.268 380 T C 2.381 177.113 174.700 0.053 0.000 1.035 380 T CA 1.784 63.929 62.100 0.076 0.000 1.151 380 T CB -0.754 68.138 68.868 0.039 0.000 0.862 380 T HN 0.647 nan 8.240 nan 0.000 0.438 381 A N 1.464 124.291 122.820 0.012 0.000 1.865 381 A HA -0.213 4.107 4.320 0.000 0.000 0.217 381 A C 2.326 179.899 177.584 -0.017 0.000 1.191 381 A CA 1.897 53.931 52.037 -0.004 0.000 0.623 381 A CB -0.795 18.181 19.000 -0.040 0.000 0.826 381 A HN 0.486 nan 8.150 nan 0.000 0.444 382 Q N -0.955 118.824 119.800 -0.034 0.000 2.124 382 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 382 Q C 2.111 177.947 176.000 -0.273 0.000 0.977 382 Q CA 1.684 57.462 55.803 -0.041 0.000 0.850 382 Q CB -0.481 28.325 28.738 0.114 0.000 0.901 382 Q HN 0.784 nan 8.270 nan 0.000 0.429 383 M N -1.172 118.048 119.600 -0.633 0.000 2.080 383 M HA -0.195 4.285 4.480 0.000 0.000 0.260 383 M C 1.160 177.081 176.300 -0.632 0.000 1.068 383 M CA 1.666 56.218 55.300 -1.248 0.000 1.109 383 M CB -0.154 31.716 32.600 -1.217 0.000 1.342 383 M HN 0.306 nan 8.290 nan 0.000 0.405 384 W N 0.731 121.776 121.300 -0.424 0.000 2.421 384 W HA -0.162 4.498 4.660 0.000 0.000 0.270 384 W C 2.300 178.707 176.519 -0.186 0.000 1.233 384 W CA 1.249 58.406 57.345 -0.314 0.000 1.226 384 W CB -0.029 29.277 29.460 -0.256 0.000 1.121 384 W HN 0.396 nan 8.180 nan 0.000 0.579 385 Q N -0.905 118.913 119.800 0.031 0.000 2.250 385 Q HA 0.017 4.357 4.340 0.000 0.000 0.200 385 Q C 1.790 177.781 176.000 -0.016 0.000 0.941 385 Q CA 0.753 56.577 55.803 0.035 0.000 0.872 385 Q CB -0.015 28.734 28.738 0.017 0.000 0.965 385 Q HN 0.261 nan 8.270 nan 0.000 0.480 386 R N -0.268 120.177 120.500 -0.093 0.000 2.362 386 R HA 0.245 4.585 4.340 0.000 0.000 0.227 386 R C -0.133 176.106 176.300 -0.103 0.000 0.905 386 R CA 0.018 56.083 56.100 -0.057 0.000 1.067 386 R CB 0.589 30.905 30.300 0.027 0.000 1.078 386 R HN 0.053 nan 8.270 nan 0.000 0.516 387 L N 1.464 122.555 121.223 -0.219 0.000 2.305 387 L HA 0.282 4.622 4.340 0.000 0.000 0.284 387 L C -0.394 176.361 176.870 -0.192 0.000 1.013 387 L CA -0.542 54.130 54.840 -0.280 0.000 0.819 387 L CB 1.670 43.368 42.059 -0.602 0.000 1.227 387 L HN 0.127 nan 8.230 nan 0.000 0.417 388 N N 5.172 123.814 118.700 -0.096 0.000 2.439 388 N HA 0.307 5.047 4.740 0.000 0.000 0.243 388 N C -0.816 174.659 175.510 -0.058 0.000 1.088 388 N CA -0.502 52.508 53.050 -0.067 0.000 0.940 388 N CB 0.535 39.006 38.487 -0.027 0.000 1.180 388 N HN 0.570 nan 8.380 nan 0.000 0.505 389 M N 3.635 123.166 119.600 -0.116 0.000 2.055 389 M HA 0.240 4.721 4.480 0.000 0.000 0.346 389 M C 0.953 177.182 176.300 -0.118 0.000 1.074 389 M CA -0.429 54.819 55.300 -0.086 0.000 1.009 389 M CB 1.463 33.981 32.600 -0.136 0.000 1.423 389 M HN 0.443 nan 8.290 nan 0.000 0.410 390 R N 0.556 121.008 120.500 -0.081 0.000 2.127 390 R HA 0.115 4.455 4.340 0.000 0.000 0.217 390 R C 0.412 176.648 176.300 -0.106 0.000 1.074 390 R CA 0.687 56.727 56.100 -0.100 0.000 0.991 390 R CB 0.108 30.367 30.300 -0.069 0.000 0.895 390 R HN 0.631 nan 8.270 nan 0.000 0.450 391 N N 1.187 119.843 118.700 -0.074 0.000 2.485 391 N HA 0.299 5.039 4.740 0.000 0.000 0.280 391 N C -2.593 172.882 175.510 -0.057 0.000 1.205 391 N CA -1.617 51.395 53.050 -0.064 0.000 0.959 391 N CB 0.600 39.062 38.487 -0.041 0.000 1.206 391 N HN -0.218 nan 8.380 nan 0.000 0.545 392 P HA 0.144 nan 4.420 nan 0.000 0.274 392 P C 0.265 177.559 177.300 -0.010 0.000 1.256 392 P CA 0.126 63.211 63.100 -0.024 0.000 0.795 392 P CB 0.260 31.954 31.700 -0.010 0.000 1.038 393 G N 0.458 109.252 108.800 -0.011 0.000 2.395 393 G HA2 -0.251 3.709 3.960 0.000 0.000 0.300 393 G HA3 -0.251 3.709 3.960 0.000 0.000 0.300 393 G C 0.524 175.419 174.900 -0.009 0.000 0.998 393 G CA 0.545 45.649 45.100 0.007 0.000 1.046 393 G HN 0.420 nan 8.290 nan 0.000 0.513 394 S N -1.470 114.182 115.700 -0.080 0.000 2.559 394 S HA 0.366 4.836 4.470 0.000 0.000 0.226 394 S C -0.118 174.509 174.600 0.044 0.000 1.000 394 S CA 0.086 58.286 58.200 -0.001 0.000 0.948 394 S CB 0.624 63.834 63.200 0.016 0.000 0.870 394 S HN 0.760 nan 8.310 nan 0.000 0.497 395 Y N 0.721 120.814 120.300 -0.347 0.000 2.479 395 Y HA 0.567 5.117 4.550 0.000 0.000 0.338 395 Y C -2.188 173.400 175.900 -0.519 0.000 1.055 395 Y CA -1.286 56.635 58.100 -0.298 0.000 1.023 395 Y CB 1.052 39.299 38.460 -0.355 0.000 1.287 395 Y HN 0.067 nan 8.280 nan 0.000 0.447 396 Y N 6.463 126.481 120.300 -0.470 0.000 2.433 396 Y HA 0.561 5.111 4.550 0.000 0.000 0.337 396 Y C -1.516 174.266 175.900 -0.198 0.000 1.026 396 Y CA -1.072 56.939 58.100 -0.149 0.000 1.037 396 Y CB 2.141 40.677 38.460 0.128 0.000 1.245 396 Y HN 0.587 nan 8.280 nan 0.000 0.443 397 F N 3.150 123.093 119.950 -0.011 0.000 2.574 397 F HA 0.518 5.045 4.527 0.000 0.000 0.313 397 F C -0.265 175.487 175.800 -0.080 0.000 1.130 397 F CA -1.785 56.233 58.000 0.030 0.000 0.936 397 F CB 0.879 39.956 39.000 0.128 0.000 1.219 397 F HN 0.726 nan 8.300 nan 0.000 0.445 398 C N 4.678 123.471 119.300 -0.844 0.000 2.250 398 C HA 0.351 4.811 4.460 0.000 0.000 0.405 398 C C 1.707 176.300 174.990 -0.662 0.000 1.516 398 C CA -0.018 58.411 59.018 -0.981 0.000 1.412 398 C CB -1.521 25.800 27.740 -0.699 0.000 2.534 398 C HN 1.063 nan 8.230 nan 0.000 0.621 399 A N 3.279 125.816 122.820 -0.472 0.000 2.032 399 A HA 0.148 4.468 4.320 0.000 0.000 0.221 399 A C 2.253 179.764 177.584 -0.121 0.000 1.165 399 A CA 1.991 53.923 52.037 -0.174 0.000 0.645 399 A CB -0.415 18.482 19.000 -0.171 0.000 0.807 399 A HN 1.705 nan 8.150 nan 0.000 0.453 400 A N -2.571 120.137 122.820 -0.186 0.000 2.390 400 A HA 0.469 4.789 4.320 0.000 0.000 0.232 400 A C 1.630 179.127 177.584 -0.144 0.000 1.233 400 A CA 0.980 52.948 52.037 -0.116 0.000 0.907 400 A CB -0.533 18.416 19.000 -0.086 0.000 0.967 400 A HN 1.842 nan 8.150 nan 0.000 0.512 401 G N -1.048 107.621 108.800 -0.219 0.000 2.162 401 G HA2 -0.089 3.871 3.960 0.000 0.000 0.260 401 G HA3 -0.089 3.871 3.960 0.000 0.000 0.260 401 G C 0.683 175.448 174.900 -0.225 0.000 0.976 401 G CA 0.198 45.172 45.100 -0.210 0.000 0.655 401 G HN 1.460 nan 8.290 nan 0.000 0.533 402 G N 0.356 109.014 108.800 -0.236 0.000 2.365 402 G HA2 0.564 4.524 3.960 0.000 0.000 0.293 402 G HA3 0.564 4.524 3.960 0.000 0.000 0.293 402 G C 0.546 175.298 174.900 -0.248 0.000 1.128 402 G CA -0.500 44.474 45.100 -0.209 0.000 0.971 402 G HN 0.618 nan 8.290 nan 0.000 0.422 403 L N 1.807 122.803 121.223 -0.378 0.000 2.467 403 L HA 0.422 4.762 4.340 0.000 0.000 0.270 403 L C 1.488 178.140 176.870 -0.363 0.000 1.205 403 L CA 0.841 55.402 54.840 -0.464 0.000 0.828 403 L CB 0.882 42.417 42.059 -0.874 0.000 1.101 403 L HN 0.823 nan 8.230 nan 0.000 0.479 404 G N 1.456 110.199 108.800 -0.094 0.000 2.168 404 G HA2 -0.296 3.664 3.960 0.000 0.000 0.197 404 G HA3 -0.296 3.664 3.960 0.000 0.000 0.197 404 G C 0.115 175.081 174.900 0.109 0.000 0.997 404 G CA 0.219 45.373 45.100 0.089 0.000 0.658 404 G HN 0.635 nan 8.290 nan 0.000 0.513 405 F N 1.520 121.432 119.950 -0.062 0.000 2.222 405 F HA 0.541 5.068 4.527 0.000 0.000 0.285 405 F C 2.553 178.339 175.800 -0.022 0.000 1.068 405 F CA 1.869 59.833 58.000 -0.060 0.000 1.265 405 F CB -0.583 38.346 39.000 -0.119 0.000 1.087 405 F HN 0.244 nan 8.300 nan 0.000 0.511 406 A N 1.497 124.241 122.820 -0.127 0.000 1.896 406 A HA -0.267 4.053 4.320 0.000 0.000 0.220 406 A C 2.336 179.837 177.584 -0.139 0.000 1.206 406 A CA 2.336 54.259 52.037 -0.191 0.000 0.647 406 A CB -1.557 17.486 19.000 0.072 0.000 0.828 406 A HN 0.616 nan 8.150 nan 0.000 0.455 407 L N 0.062 121.298 121.223 0.022 0.000 1.970 407 L HA -0.119 4.221 4.340 0.000 0.000 0.212 407 L C -0.287 176.652 176.870 0.115 0.000 1.071 407 L CA 2.246 57.184 54.840 0.164 0.000 0.751 407 L CB -0.804 41.327 42.059 0.121 0.000 0.889 407 L HN 0.309 nan 8.230 nan 0.000 0.432 408 P HA -0.118 nan 4.420 nan 0.000 0.218 408 P C 1.267 178.473 177.300 -0.156 0.000 1.152 408 P CA 1.840 64.913 63.100 -0.044 0.000 0.826 408 P CB -0.038 31.633 31.700 -0.048 0.000 0.790 409 A N 0.946 123.529 122.820 -0.395 0.000 1.933 409 A HA -0.068 4.252 4.320 0.000 0.000 0.218 409 A C 2.522 179.887 177.584 -0.364 0.000 1.175 409 A CA 2.132 53.829 52.037 -0.566 0.000 0.628 409 A CB -1.578 16.595 19.000 -1.379 0.000 0.814 409 A HN 0.225 nan 8.150 nan 0.000 0.444 410 A N -0.070 122.592 122.820 -0.264 0.000 1.978 410 A HA -0.101 4.219 4.320 0.000 0.000 0.220 410 A C 2.083 179.591 177.584 -0.127 0.000 1.170 410 A CA 1.553 53.479 52.037 -0.185 0.000 0.636 410 A CB -0.589 18.308 19.000 -0.172 0.000 0.810 410 A HN 0.533 nan 8.150 nan 0.000 0.448 411 I N -0.638 119.913 120.570 -0.031 0.000 2.252 411 I HA -0.152 4.018 4.170 0.000 0.000 0.245 411 I C 2.700 178.828 176.117 0.018 0.000 1.102 411 I CA 1.019 62.341 61.300 0.037 0.000 1.385 411 I CB -0.665 37.410 38.000 0.125 0.000 1.064 411 I HN 0.391 nan 8.210 nan 0.000 0.414 412 G N 0.721 109.504 108.800 -0.029 0.000 2.421 412 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 412 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 412 G C 1.725 176.656 174.900 0.053 0.000 1.171 412 G CA 0.814 45.925 45.100 0.019 0.000 0.775 412 G HN 0.213 nan 8.290 nan 0.000 0.543 413 V N 0.665 120.522 119.914 -0.095 0.000 2.287 413 V HA -0.242 3.878 4.120 0.000 0.000 0.248 413 V C 2.790 178.862 176.094 -0.036 0.000 1.053 413 V CA 2.321 64.550 62.300 -0.118 0.000 1.027 413 V CB -0.526 31.174 31.823 -0.204 0.000 0.646 413 V HN 0.426 nan 8.190 nan 0.000 0.447 414 Q N -0.229 119.549 119.800 -0.037 0.000 2.170 414 Q HA -0.202 4.138 4.340 0.000 0.000 0.203 414 Q C 1.909 177.931 176.000 0.035 0.000 0.976 414 Q CA 1.784 57.574 55.803 -0.021 0.000 0.858 414 Q CB -0.517 28.192 28.738 -0.048 0.000 0.907 414 Q HN 0.575 nan 8.270 nan 0.000 0.433 415 L N -0.458 120.822 121.223 0.095 0.000 2.156 415 L HA 0.103 4.443 4.340 0.000 0.000 0.208 415 L C 1.891 178.904 176.870 0.238 0.000 1.095 415 L CA 1.887 56.825 54.840 0.163 0.000 0.770 415 L CB -0.664 41.513 42.059 0.196 0.000 0.914 415 L HN 0.216 nan 8.230 nan 0.000 0.439 416 A N -1.571 121.369 122.820 0.200 0.000 1.975 416 A HA 0.048 4.368 4.320 0.000 0.000 0.215 416 A C 1.127 178.696 177.584 -0.024 0.000 1.170 416 A CA 0.684 52.720 52.037 -0.002 0.000 0.656 416 A CB -0.131 18.709 19.000 -0.266 0.000 0.821 416 A HN 0.390 nan 8.150 nan 0.000 0.449 417 E N 0.015 120.212 120.200 -0.005 0.000 2.969 417 E HA 0.159 4.509 4.350 0.000 0.000 0.213 417 E C -2.101 174.496 176.600 -0.005 0.000 1.107 417 E CA -1.700 54.693 56.400 -0.012 0.000 1.007 417 E CB 0.808 30.499 29.700 -0.016 0.000 1.326 417 E HN 0.410 nan 8.360 nan 0.000 0.432 418 P HA -0.133 nan 4.420 nan 0.000 0.221 418 P C 0.640 177.935 177.300 -0.008 0.000 1.145 418 P CA 1.004 64.107 63.100 0.005 0.000 0.795 418 P CB 0.612 32.321 31.700 0.016 0.000 0.775 419 E N -0.390 119.802 120.200 -0.012 0.000 2.479 419 E HA 0.090 4.440 4.350 0.000 0.000 0.193 419 E C 0.638 177.222 176.600 -0.027 0.000 1.049 419 E CA 0.201 56.590 56.400 -0.017 0.000 0.870 419 E CB 0.151 29.843 29.700 -0.014 0.000 0.944 419 E HN 0.418 nan 8.360 nan 0.000 0.492 420 R N 1.081 121.561 120.500 -0.033 0.000 2.437 420 R HA 0.248 4.588 4.340 0.000 0.000 0.310 420 R C -0.299 175.958 176.300 -0.072 0.000 0.955 420 R CA -0.831 55.239 56.100 -0.050 0.000 0.851 420 R CB 1.370 31.644 30.300 -0.043 0.000 1.161 420 R HN -0.160 nan 8.270 nan 0.000 0.446 421 Q N 2.437 122.182 119.800 -0.092 0.000 2.262 421 Q HA 0.102 4.442 4.340 0.000 0.000 0.272 421 Q C -0.884 175.012 176.000 -0.173 0.000 1.076 421 Q CA 0.194 55.926 55.803 -0.119 0.000 0.905 421 Q CB 0.849 29.517 28.738 -0.116 0.000 1.182 421 Q HN 0.390 nan 8.270 nan 0.000 0.390 422 V N 6.836 126.649 119.914 -0.169 0.000 2.465 422 V HA 0.407 4.527 4.120 0.000 0.000 0.279 422 V C 0.129 176.076 176.094 -0.245 0.000 1.045 422 V CA -0.415 61.766 62.300 -0.199 0.000 0.938 422 V CB 1.060 32.781 31.823 -0.169 0.000 0.986 422 V HN 0.722 nan 8.190 nan 0.000 0.467 423 I N 4.273 124.690 120.570 -0.255 0.000 2.468 423 I HA 0.590 4.760 4.170 0.000 0.000 0.284 423 I C 0.107 176.194 176.117 -0.050 0.000 1.038 423 I CA -0.508 60.685 61.300 -0.177 0.000 1.083 423 I CB 1.734 39.639 38.000 -0.157 0.000 1.223 423 I HN 0.639 nan 8.210 nan 0.000 0.443 424 A N 6.680 129.449 122.820 -0.085 0.000 2.249 424 A HA 0.672 4.992 4.320 0.000 0.000 0.314 424 A C -0.369 177.286 177.584 0.118 0.000 1.290 424 A CA -0.436 51.616 52.037 0.026 0.000 0.893 424 A CB 0.754 19.744 19.000 -0.017 0.000 1.165 424 A HN 0.459 nan 8.150 nan 0.000 0.530 425 V N 5.161 125.187 119.914 0.187 0.000 2.334 425 V HA 0.315 4.435 4.120 0.000 0.000 0.267 425 V C -0.152 176.054 176.094 0.187 0.000 1.040 425 V CA 0.167 62.586 62.300 0.198 0.000 0.866 425 V CB 0.034 32.040 31.823 0.306 0.000 1.019 425 V HN 0.703 nan 8.190 nan 0.000 0.468 426 I N 3.652 124.306 120.570 0.140 0.000 2.465 426 I HA 0.576 4.746 4.170 0.000 0.000 0.291 426 I C 0.991 177.151 176.117 0.071 0.000 1.014 426 I CA -0.556 60.822 61.300 0.130 0.000 1.093 426 I CB 1.941 40.023 38.000 0.137 0.000 1.267 426 I HN 0.632 nan 8.210 nan 0.000 0.431 427 G N 2.898 111.767 108.800 0.115 0.000 2.594 427 G HA2 0.035 3.995 3.960 0.000 0.000 0.243 427 G HA3 0.035 3.995 3.960 0.000 0.000 0.243 427 G C 0.861 175.789 174.900 0.047 0.000 1.229 427 G CA -0.277 44.882 45.100 0.098 0.000 0.843 427 G HN 0.852 nan 8.290 nan 0.000 0.578 428 D N 0.788 121.185 120.400 -0.005 0.000 2.178 428 D HA -0.113 4.527 4.640 0.000 0.000 0.201 428 D C 2.051 178.529 176.300 0.296 0.000 0.980 428 D CA 1.352 55.330 54.000 -0.035 0.000 0.842 428 D CB -0.632 40.219 40.800 0.085 0.000 0.948 428 D HN 0.460 nan 8.370 nan 0.000 0.472 429 G N 0.407 109.404 108.800 0.327 0.000 2.404 429 G HA2 -0.187 3.773 3.960 0.000 0.000 0.213 429 G HA3 -0.187 3.773 3.960 0.000 0.000 0.213 429 G C 1.867 177.099 174.900 0.554 0.000 1.189 429 G CA 0.828 46.229 45.100 0.500 0.000 0.796 429 G HN 0.329 nan 8.290 nan 0.000 0.532 430 S N 1.228 117.215 115.700 0.479 0.000 2.383 430 S HA -0.068 4.402 4.470 0.000 0.000 0.229 430 S C 2.735 177.602 174.600 0.446 0.000 1.030 430 S CA 1.164 59.648 58.200 0.472 0.000 1.002 430 S CB -0.381 62.965 63.200 0.244 0.000 0.829 430 S HN 0.580 nan 8.310 nan 0.000 0.467 431 A N 2.544 125.550 122.820 0.310 0.000 2.032 431 A HA -0.184 4.136 4.320 0.000 0.000 0.221 431 A C 1.897 179.661 177.584 0.299 0.000 1.165 431 A CA 1.487 53.682 52.037 0.263 0.000 0.645 431 A CB -0.549 18.561 19.000 0.183 0.000 0.807 431 A HN 0.513 nan 8.150 nan 0.000 0.453 432 N N -1.176 117.706 118.700 0.304 0.000 2.216 432 N HA -0.142 4.598 4.740 0.000 0.000 0.183 432 N C 1.524 177.089 175.510 0.091 0.000 1.017 432 N CA 1.523 54.665 53.050 0.153 0.000 0.861 432 N CB -0.539 37.969 38.487 0.036 0.000 0.986 432 N HN 0.635 nan 8.380 nan 0.000 0.428 433 Y N 1.568 121.947 120.300 0.132 0.000 2.096 433 Y HA -0.149 4.401 4.550 0.000 0.000 0.278 433 Y C 1.645 177.589 175.900 0.073 0.000 1.192 433 Y CA 1.220 59.378 58.100 0.097 0.000 1.143 433 Y CB -0.274 38.239 38.460 0.088 0.000 0.963 433 Y HN -0.041 nan 8.280 nan 0.000 0.505 434 S N -0.857 114.981 115.700 0.229 0.000 2.751 434 S HA 0.142 4.612 4.470 0.000 0.000 0.247 434 S C 1.172 175.815 174.600 0.072 0.000 1.103 434 S CA -0.344 57.930 58.200 0.123 0.000 1.090 434 S CB -0.068 63.194 63.200 0.102 0.000 0.928 434 S HN 0.236 nan 8.310 nan 0.000 0.502 435 I N 2.991 123.617 120.570 0.093 0.000 2.248 435 I HA -0.226 3.944 4.170 0.000 0.000 0.248 435 I C 2.340 178.453 176.117 -0.007 0.000 1.107 435 I CA 1.867 63.220 61.300 0.088 0.000 1.373 435 I CB -0.327 37.766 38.000 0.156 0.000 1.055 435 I HN 0.472 nan 8.210 nan 0.000 0.418 436 S N 0.551 116.203 115.700 -0.080 0.000 2.500 436 S HA -0.059 4.411 4.470 0.000 0.000 0.239 436 S C 2.173 176.537 174.600 -0.393 0.000 0.989 436 S CA 0.659 58.590 58.200 -0.449 0.000 0.951 436 S CB -0.964 62.076 63.200 -0.267 0.000 0.759 436 S HN 0.516 nan 8.310 nan 0.000 0.523 437 A N 2.248 124.975 122.820 -0.155 0.000 1.978 437 A HA 0.075 4.395 4.320 0.000 0.000 0.220 437 A C 2.182 179.730 177.584 -0.059 0.000 1.170 437 A CA 1.321 53.324 52.037 -0.056 0.000 0.636 437 A CB -0.879 18.116 19.000 -0.008 0.000 0.810 437 A HN 0.570 nan 8.150 nan 0.000 0.448 438 L N -2.550 118.573 121.223 -0.166 0.000 2.051 438 L HA -0.279 4.061 4.340 0.000 0.000 0.214 438 L C 2.461 179.329 176.870 -0.003 0.000 1.076 438 L CA 1.960 56.708 54.840 -0.154 0.000 0.758 438 L CB -0.548 41.439 42.059 -0.120 0.000 0.890 438 L HN 0.764 nan 8.230 nan 0.000 0.433 439 W N 0.935 122.070 121.300 -0.274 0.000 2.321 439 W HA -0.255 4.405 4.660 0.000 0.000 0.306 439 W C 2.592 179.097 176.519 -0.023 0.000 1.217 439 W CA 2.331 59.599 57.345 -0.129 0.000 1.257 439 W CB -0.413 28.888 29.460 -0.265 0.000 1.145 439 W HN 0.001 nan 8.180 nan 0.000 0.509 440 T N 0.377 115.029 114.554 0.164 0.000 2.746 440 T HA -0.213 4.137 4.350 0.000 0.000 0.267 440 T C 1.936 176.692 174.700 0.094 0.000 1.039 440 T CA 1.964 64.156 62.100 0.153 0.000 1.142 440 T CB -0.925 68.119 68.868 0.294 0.000 0.866 440 T HN 0.264 nan 8.240 nan 0.000 0.444 441 A N 1.416 124.293 122.820 0.095 0.000 1.902 441 A HA 0.135 4.455 4.320 0.000 0.000 0.217 441 A C 2.631 180.228 177.584 0.021 0.000 1.181 441 A CA 1.876 53.988 52.037 0.126 0.000 0.623 441 A CB -1.090 18.060 19.000 0.250 0.000 0.818 441 A HN 0.514 nan 8.150 nan 0.000 0.443 442 A N -1.272 121.498 122.820 -0.083 0.000 1.855 442 A HA -0.157 4.163 4.320 0.000 0.000 0.215 442 A C 2.146 179.544 177.584 -0.311 0.000 1.191 442 A CA 1.606 53.548 52.037 -0.159 0.000 0.613 442 A CB -0.544 18.355 19.000 -0.167 0.000 0.829 442 A HN 0.464 nan 8.150 nan 0.000 0.442 443 Q N -0.987 118.445 119.800 -0.614 0.000 2.061 443 Q HA -0.185 4.155 4.340 0.000 0.000 0.204 443 Q C 1.250 176.841 176.000 -0.681 0.000 0.984 443 Q CA 1.721 57.016 55.803 -0.847 0.000 0.846 443 Q CB -0.436 27.413 28.738 -1.481 0.000 0.902 443 Q HN 0.864 nan 8.270 nan 0.000 0.421 444 Y N 0.028 120.206 120.300 -0.203 0.000 2.493 444 Y HA 0.126 4.676 4.550 0.000 0.000 0.275 444 Y C 0.348 176.206 175.900 -0.070 0.000 1.183 444 Y CA -0.390 57.645 58.100 -0.109 0.000 1.258 444 Y CB -0.371 38.043 38.460 -0.078 0.000 1.108 444 Y HN 0.166 nan 8.280 nan 0.000 0.521 445 N N 1.411 120.111 118.700 0.001 0.000 2.686 445 N HA -0.230 4.510 4.740 0.000 0.000 0.261 445 N C -1.121 174.418 175.510 0.050 0.000 1.001 445 N CA 0.293 53.350 53.050 0.011 0.000 0.764 445 N CB -1.108 37.377 38.487 -0.004 0.000 0.898 445 N HN 0.406 nan 8.380 nan 0.000 0.544 446 I N 1.529 122.143 120.570 0.074 0.000 2.287 446 I HA 0.205 4.375 4.170 0.000 0.000 0.290 446 I C -1.284 174.864 176.117 0.051 0.000 1.069 446 I CA -2.026 59.315 61.300 0.068 0.000 1.237 446 I CB 1.179 39.235 38.000 0.093 0.000 1.418 446 I HN 0.130 nan 8.210 nan 0.000 0.481 447 P HA -0.067 nan 4.420 nan 0.000 0.311 447 P C 0.133 177.398 177.300 -0.059 0.000 1.543 447 P CA 0.228 63.326 63.100 -0.003 0.000 0.766 447 P CB -0.707 30.987 31.700 -0.011 0.000 1.711 448 T N 1.255 115.751 114.554 -0.096 0.000 2.918 448 T HA 0.259 4.609 4.350 0.000 0.000 0.302 448 T C 0.749 175.187 174.700 -0.437 0.000 1.045 448 T CA 0.223 62.126 62.100 -0.328 0.000 1.114 448 T CB 0.702 69.257 68.868 -0.521 0.000 0.965 448 T HN 0.065 nan 8.240 nan 0.000 0.540 449 I N 3.169 123.450 120.570 -0.481 0.000 2.362 449 I HA 0.355 4.525 4.170 0.000 0.000 0.289 449 I C -0.896 174.963 176.117 -0.430 0.000 0.994 449 I CA -0.657 60.462 61.300 -0.301 0.000 1.158 449 I CB 0.948 38.866 38.000 -0.137 0.000 1.315 449 I HN 0.510 nan 8.210 nan 0.000 0.451 450 F N 5.958 125.923 119.950 0.024 0.000 2.388 450 F HA 0.388 4.915 4.527 0.000 0.000 0.358 450 F C 0.079 175.889 175.800 0.017 0.000 1.122 450 F CA -0.886 57.130 58.000 0.026 0.000 1.056 450 F CB 1.307 40.328 39.000 0.034 0.000 1.155 450 F HN 0.011 nan 8.300 nan 0.000 0.461 451 V N 5.648 125.650 119.914 0.147 0.000 2.304 451 V HA 0.268 4.388 4.120 0.000 0.000 0.269 451 V C 0.076 176.193 176.094 0.038 0.000 1.036 451 V CA -0.574 61.772 62.300 0.078 0.000 0.840 451 V CB 0.601 32.459 31.823 0.057 0.000 1.036 451 V HN 0.428 nan 8.190 nan 0.000 0.466 452 I N 6.041 126.592 120.570 -0.031 0.000 2.337 452 I HA 0.288 4.458 4.170 0.000 0.000 0.291 452 I C 0.298 176.318 176.117 -0.162 0.000 1.046 452 I CA -0.276 60.921 61.300 -0.172 0.000 1.324 452 I CB 1.172 38.900 38.000 -0.454 0.000 1.409 452 I HN 0.440 nan 8.210 nan 0.000 0.494 453 M N 5.845 125.379 119.600 -0.110 0.000 2.201 453 M HA 0.141 4.621 4.480 0.000 0.000 0.345 453 M C 0.171 176.425 176.300 -0.078 0.000 1.352 453 M CA -0.028 55.226 55.300 -0.075 0.000 1.218 453 M CB -0.556 32.028 32.600 -0.026 0.000 1.512 453 M HN 0.358 nan 8.290 nan 0.000 0.447 454 N N 3.835 122.491 118.700 -0.072 0.000 2.527 454 N HA 0.163 4.903 4.740 0.000 0.000 0.236 454 N C -0.108 175.419 175.510 0.028 0.000 0.999 454 N CA -0.090 52.951 53.050 -0.015 0.000 0.935 454 N CB 0.459 38.962 38.487 0.028 0.000 1.132 454 N HN 0.494 nan 8.380 nan 0.000 0.511 455 N N 2.010 120.738 118.700 0.047 0.000 2.200 455 N HA 0.162 4.902 4.740 0.000 0.000 0.224 455 N C 0.887 176.432 175.510 0.058 0.000 1.179 455 N CA 0.048 53.126 53.050 0.046 0.000 0.877 455 N CB 0.031 38.547 38.487 0.049 0.000 1.072 455 N HN 0.448 nan 8.380 nan 0.000 0.519 456 G N -0.877 107.968 108.800 0.074 0.000 2.233 456 G HA2 -0.264 3.696 3.960 0.000 0.000 0.270 456 G HA3 -0.264 3.696 3.960 0.000 0.000 0.270 456 G C -0.013 174.895 174.900 0.015 0.000 1.011 456 G CA 1.075 46.208 45.100 0.056 0.000 0.762 456 G HN 0.803 nan 8.290 nan 0.000 0.511 457 T N -1.974 112.600 114.554 0.034 0.000 2.821 457 T HA 0.501 4.851 4.350 0.000 0.000 0.306 457 T C -0.548 174.229 174.700 0.129 0.000 1.313 457 T CA -0.637 61.474 62.100 0.018 0.000 1.012 457 T CB 0.895 69.805 68.868 0.071 0.000 1.298 457 T HN 0.239 nan 8.240 nan 0.000 0.502 458 Y N 2.613 122.999 120.300 0.142 0.000 2.623 458 Y HA 0.235 4.785 4.550 0.000 0.000 0.341 458 Y C 1.890 177.893 175.900 0.171 0.000 1.292 458 Y CA -0.545 57.654 58.100 0.165 0.000 1.840 458 Y CB 0.016 38.578 38.460 0.171 0.000 1.865 458 Y HN 0.962 nan 8.280 nan 0.000 0.440 459 G N 1.552 110.535 108.800 0.306 0.000 2.599 459 G HA2 -0.432 3.528 3.960 0.000 0.000 0.219 459 G HA3 -0.432 3.528 3.960 0.000 0.000 0.219 459 G C 1.839 176.904 174.900 0.276 0.000 1.193 459 G CA 1.184 46.431 45.100 0.246 0.000 0.778 459 G HN 0.651 nan 8.290 nan 0.000 0.589 460 A N 0.341 123.315 122.820 0.256 0.000 1.948 460 A HA -0.023 4.297 4.320 0.000 0.000 0.220 460 A C 2.495 180.282 177.584 0.340 0.000 1.177 460 A CA 1.700 53.895 52.037 0.263 0.000 0.636 460 A CB -0.416 18.709 19.000 0.208 0.000 0.815 460 A HN 0.407 nan 8.150 nan 0.000 0.449 461 L N -1.657 119.754 121.223 0.314 0.000 2.109 461 L HA -0.128 4.212 4.340 0.000 0.000 0.207 461 L C 2.847 179.912 176.870 0.325 0.000 1.086 461 L CA 1.171 56.206 54.840 0.325 0.000 0.760 461 L CB -0.505 41.720 42.059 0.276 0.000 0.910 461 L HN 0.377 nan 8.230 nan 0.000 0.437 462 R N -0.695 119.992 120.500 0.312 0.000 2.092 462 R HA -0.200 4.140 4.340 0.000 0.000 0.231 462 R C 2.144 178.626 176.300 0.303 0.000 1.119 462 R CA 1.601 57.858 56.100 0.262 0.000 0.970 462 R CB -0.370 30.078 30.300 0.245 0.000 0.864 462 R HN 0.514 nan 8.270 nan 0.000 0.440 463 W N 0.876 122.272 121.300 0.160 0.000 2.309 463 W HA -0.304 4.356 4.660 0.000 0.000 0.326 463 W C 1.847 178.486 176.519 0.201 0.000 1.222 463 W CA 1.332 58.770 57.345 0.154 0.000 1.237 463 W CB -0.809 28.740 29.460 0.148 0.000 1.180 463 W HN 0.041 nan 8.180 nan 0.000 0.456 464 F N 1.640 121.674 119.950 0.139 0.000 2.111 464 F HA -0.373 4.154 4.527 0.000 0.000 0.300 464 F C 2.481 178.243 175.800 -0.063 0.000 1.088 464 F CA 2.436 60.426 58.000 -0.016 0.000 1.243 464 F CB -0.559 38.493 39.000 0.087 0.000 0.996 464 F HN -0.001 nan 8.300 nan 0.000 0.483 465 A N 0.368 123.173 122.820 -0.025 0.000 1.892 465 A HA -0.221 4.099 4.320 0.000 0.000 0.218 465 A C 2.392 179.858 177.584 -0.197 0.000 1.188 465 A CA 2.000 53.951 52.037 -0.142 0.000 0.631 465 A CB -1.841 17.157 19.000 -0.004 0.000 0.822 465 A HN 0.539 nan 8.150 nan 0.000 0.447 466 G N -0.363 108.329 108.800 -0.180 0.000 2.440 466 G HA2 -0.152 3.808 3.960 0.000 0.000 0.218 466 G HA3 -0.152 3.808 3.960 0.000 0.000 0.218 466 G C 1.676 176.394 174.900 -0.303 0.000 1.154 466 G CA 2.192 47.147 45.100 -0.242 0.000 0.767 466 G HN 1.107 nan 8.290 nan 0.000 0.552 467 V N 0.216 119.909 119.914 -0.367 0.000 2.237 467 V HA -0.087 4.033 4.120 0.000 0.000 0.245 467 V C 2.682 178.629 176.094 -0.245 0.000 1.046 467 V CA 1.864 63.998 62.300 -0.277 0.000 1.007 467 V CB -0.853 30.884 31.823 -0.142 0.000 0.638 467 V HN 0.302 nan 8.190 nan 0.000 0.445 468 L N 0.191 121.191 121.223 -0.372 0.000 2.549 468 L HA -0.020 4.320 4.340 0.000 0.000 0.230 468 L C 1.744 178.486 176.870 -0.213 0.000 1.162 468 L CA 1.472 56.111 54.840 -0.334 0.000 0.834 468 L CB -1.382 40.372 42.059 -0.509 0.000 0.947 468 L HN 0.534 nan 8.230 nan 0.000 0.452 469 E N -0.842 119.242 120.200 -0.193 0.000 2.735 469 E HA -0.258 4.092 4.350 0.000 0.000 0.261 469 E C 0.597 177.128 176.600 -0.115 0.000 1.137 469 E CA 0.301 56.621 56.400 -0.132 0.000 0.754 469 E CB -0.904 28.735 29.700 -0.101 0.000 1.352 469 E HN 0.612 nan 8.360 nan 0.000 0.430 470 A N 1.347 124.077 122.820 -0.149 0.000 2.492 470 A HA 0.196 4.516 4.320 0.000 0.000 0.254 470 A C 0.373 177.913 177.584 -0.074 0.000 1.091 470 A CA 0.443 52.409 52.037 -0.118 0.000 0.768 470 A CB 0.296 19.201 19.000 -0.159 0.000 1.028 470 A HN 0.213 nan 8.150 nan 0.000 0.498 471 E N 1.798 121.969 120.200 -0.048 0.000 2.299 471 E HA 0.404 4.754 4.350 0.000 0.000 0.265 471 E C -0.555 176.037 176.600 -0.012 0.000 0.911 471 E CA -1.235 55.149 56.400 -0.026 0.000 0.789 471 E CB 1.022 30.708 29.700 -0.023 0.000 1.246 471 E HN 0.676 nan 8.360 nan 0.000 0.427 472 N N -0.295 118.406 118.700 0.001 0.000 2.780 472 N HA -0.134 4.606 4.740 0.000 0.000 0.248 472 N C -1.010 174.510 175.510 0.015 0.000 1.102 472 N CA 0.364 53.419 53.050 0.008 0.000 0.697 472 N CB -1.293 37.196 38.487 0.004 0.000 1.028 472 N HN 0.165 nan 8.380 nan 0.000 0.554 473 V N 2.194 122.121 119.914 0.023 0.000 2.385 473 V HA 0.305 4.425 4.120 0.000 0.000 0.269 473 V C -0.830 175.297 176.094 0.056 0.000 1.043 473 V CA -0.850 61.473 62.300 0.038 0.000 0.906 473 V CB 1.240 33.089 31.823 0.044 0.000 0.995 473 V HN 0.132 nan 8.190 nan 0.000 0.467 474 P HA 0.290 nan 4.420 nan 0.000 0.277 474 P C 0.665 178.022 177.300 0.095 0.000 1.271 474 P CA 0.261 63.399 63.100 0.063 0.000 0.795 474 P CB 0.785 32.516 31.700 0.051 0.000 1.101 475 G N -0.002 108.852 108.800 0.089 0.000 2.341 475 G HA2 -0.238 3.722 3.960 0.000 0.000 0.292 475 G HA3 -0.238 3.722 3.960 0.000 0.000 0.292 475 G C 0.538 175.554 174.900 0.194 0.000 1.021 475 G CA 0.476 45.650 45.100 0.122 0.000 0.905 475 G HN 0.484 nan 8.290 nan 0.000 0.508 476 L N -1.060 120.253 121.223 0.150 0.000 2.554 476 L HA 0.254 4.594 4.340 0.000 0.000 0.225 476 L C 0.376 177.266 176.870 0.034 0.000 1.104 476 L CA 0.088 55.056 54.840 0.213 0.000 0.866 476 L CB 0.078 42.251 42.059 0.189 0.000 1.047 476 L HN 0.137 nan 8.230 nan 0.000 0.468 477 D N 0.434 120.799 120.400 -0.058 0.000 2.248 477 D HA 0.336 4.976 4.640 0.000 0.000 0.246 477 D C -0.048 176.118 176.300 -0.224 0.000 1.027 477 D CA -0.090 53.835 54.000 -0.125 0.000 0.853 477 D CB 3.070 43.847 40.800 -0.039 0.000 1.243 477 D HN -0.199 nan 8.370 nan 0.000 0.462 478 V N -0.814 118.956 119.914 -0.240 0.000 2.468 478 V HA 0.352 4.472 4.120 0.000 0.000 0.256 478 V C -2.527 173.517 176.094 -0.083 0.000 0.998 478 V CA -1.367 60.810 62.300 -0.206 0.000 1.114 478 V CB 0.475 32.115 31.823 -0.305 0.000 1.378 478 V HN 0.316 nan 8.190 nan 0.000 0.573 479 P HA 0.436 nan 4.420 nan 0.000 0.276 479 P C 0.832 178.107 177.300 -0.042 0.000 1.261 479 P CA 0.960 64.043 63.100 -0.028 0.000 0.800 479 P CB 1.346 33.033 31.700 -0.022 0.000 1.066 480 G N -0.019 108.758 108.800 -0.038 0.000 2.182 480 G HA2 -0.190 3.771 3.960 0.000 0.000 0.248 480 G HA3 -0.190 3.771 3.960 0.000 0.000 0.248 480 G C -0.158 174.672 174.900 -0.116 0.000 1.042 480 G CA -0.130 44.932 45.100 -0.062 0.000 0.775 480 G HN 0.487 nan 8.290 nan 0.000 0.501 481 I N 0.527 121.003 120.570 -0.158 0.000 2.389 481 I HA 0.290 4.460 4.170 0.000 0.000 0.288 481 I C -0.703 175.145 176.117 -0.448 0.000 0.999 481 I CA -0.810 60.265 61.300 -0.375 0.000 1.129 481 I CB 1.794 39.456 38.000 -0.563 0.000 1.288 481 I HN 0.017 nan 8.210 nan 0.000 0.444 482 D N 6.501 126.671 120.400 -0.384 0.000 2.485 482 D HA 0.202 4.843 4.640 0.000 0.000 0.221 482 D C 0.646 176.787 176.300 -0.265 0.000 1.112 482 D CA -0.309 53.559 54.000 -0.220 0.000 0.911 482 D CB 0.529 41.259 40.800 -0.117 0.000 1.019 482 D HN 0.301 nan 8.370 nan 0.000 0.516 483 F N 1.910 121.867 119.950 0.012 0.000 2.293 483 F HA -0.023 4.504 4.527 0.000 0.000 0.300 483 F C 2.366 178.176 175.800 0.017 0.000 1.086 483 F CA 0.581 58.593 58.000 0.019 0.000 1.375 483 F CB -0.003 39.017 39.000 0.033 0.000 1.045 483 F HN 0.228 nan 8.300 nan 0.000 0.516 484 R N 0.163 120.758 120.500 0.159 0.000 2.092 484 R HA -0.073 4.267 4.340 0.000 0.000 0.231 484 R C 2.485 178.812 176.300 0.045 0.000 1.119 484 R CA 1.124 57.283 56.100 0.099 0.000 0.970 484 R CB -0.677 29.669 30.300 0.076 0.000 0.864 484 R HN 0.267 nan 8.270 nan 0.000 0.440 485 A N 1.021 123.843 122.820 0.004 0.000 1.898 485 A HA -0.115 4.205 4.320 0.000 0.000 0.216 485 A C 2.126 179.679 177.584 -0.052 0.000 1.181 485 A CA 1.107 53.123 52.037 -0.035 0.000 0.620 485 A CB -0.544 18.417 19.000 -0.066 0.000 0.819 485 A HN 0.175 nan 8.150 nan 0.000 0.442 486 L N -0.751 120.441 121.223 -0.052 0.000 2.046 486 L HA -0.227 4.113 4.340 0.000 0.000 0.208 486 L C 3.132 180.014 176.870 0.021 0.000 1.077 486 L CA 1.160 55.975 54.840 -0.042 0.000 0.747 486 L CB -0.636 41.423 42.059 -0.001 0.000 0.896 486 L HN 0.455 nan 8.230 nan 0.000 0.432 487 A N 0.130 122.992 122.820 0.071 0.000 1.908 487 A HA -0.272 4.048 4.320 0.000 0.000 0.218 487 A C 2.410 180.034 177.584 0.066 0.000 1.181 487 A CA 2.088 54.178 52.037 0.089 0.000 0.627 487 A CB -0.497 18.557 19.000 0.090 0.000 0.818 487 A HN 0.357 nan 8.150 nan 0.000 0.445 488 K N -0.574 119.842 120.400 0.026 0.000 2.057 488 K HA -0.112 4.208 4.320 0.000 0.000 0.207 488 K C 2.023 178.608 176.600 -0.025 0.000 1.049 488 K CA 1.396 57.688 56.287 0.009 0.000 0.931 488 K CB -0.589 31.907 32.500 -0.007 0.000 0.714 488 K HN 0.380 nan 8.250 nan 0.000 0.440 489 G N -0.179 108.558 108.800 -0.105 0.000 2.469 489 G HA2 -0.251 3.709 3.960 0.000 0.000 0.220 489 G HA3 -0.251 3.709 3.960 0.000 0.000 0.220 489 G C 0.849 175.573 174.900 -0.292 0.000 1.136 489 G CA 0.941 45.882 45.100 -0.265 0.000 0.759 489 G HN 0.449 nan 8.290 nan 0.000 0.562 490 Y N -0.031 120.327 120.300 0.096 0.000 2.607 490 Y HA 0.377 4.928 4.550 0.000 0.000 0.266 490 Y C 1.753 177.731 175.900 0.130 0.000 1.178 490 Y CA -0.202 58.012 58.100 0.190 0.000 1.226 490 Y CB 0.707 39.283 38.460 0.193 0.000 1.144 490 Y HN 0.265 nan 8.280 nan 0.000 0.528 491 G N 0.874 109.776 108.800 0.169 0.000 2.198 491 G HA2 -0.250 3.711 3.960 0.000 0.000 0.257 491 G HA3 -0.250 3.711 3.960 0.000 0.000 0.257 491 G C -0.496 174.442 174.900 0.064 0.000 1.042 491 G CA 0.180 45.333 45.100 0.088 0.000 0.791 491 G HN 0.143 nan 8.290 nan 0.000 0.502 492 V N 0.544 120.510 119.914 0.085 0.000 2.459 492 V HA 0.414 4.534 4.120 0.000 0.000 0.295 492 V C 0.832 176.972 176.094 0.077 0.000 1.029 492 V CA -0.746 61.603 62.300 0.082 0.000 0.874 492 V CB 1.882 33.760 31.823 0.091 0.000 0.985 492 V HN 0.511 nan 8.190 nan 0.000 0.438 493 Q N 2.568 122.412 119.800 0.073 0.000 2.283 493 Q HA 0.372 4.712 4.340 0.000 0.000 0.301 493 Q C -0.168 175.880 176.000 0.080 0.000 1.063 493 Q CA 0.166 56.008 55.803 0.065 0.000 0.952 493 Q CB 0.767 29.540 28.738 0.057 0.000 1.166 493 Q HN 0.940 nan 8.270 nan 0.000 0.381 494 A N 4.933 127.794 122.820 0.069 0.000 2.374 494 A HA 0.802 5.122 4.320 0.000 0.000 0.317 494 A C -1.304 176.320 177.584 0.065 0.000 1.094 494 A CA -0.702 51.382 52.037 0.078 0.000 0.765 494 A CB 1.148 20.195 19.000 0.079 0.000 1.268 494 A HN 0.741 nan 8.150 nan 0.000 0.438 495 L N 0.489 121.754 121.223 0.070 0.000 2.376 495 L HA 0.676 5.016 4.340 0.000 0.000 0.258 495 L C -0.544 176.360 176.870 0.057 0.000 1.013 495 L CA -1.035 53.838 54.840 0.055 0.000 0.822 495 L CB 2.532 44.620 42.059 0.048 0.000 1.388 495 L HN 0.722 nan 8.230 nan 0.000 0.413 496 K N 1.190 121.617 120.400 0.045 0.000 2.316 496 K HA 0.836 5.156 4.320 0.000 0.000 0.251 496 K C -1.361 175.257 176.600 0.030 0.000 0.934 496 K CA -0.304 56.009 56.287 0.044 0.000 0.802 496 K CB 2.203 34.728 32.500 0.043 0.000 1.171 496 K HN 0.633 nan 8.250 nan 0.000 0.426 497 A N 3.642 126.476 122.820 0.023 0.000 2.522 497 A HA 0.333 4.653 4.320 0.000 0.000 0.285 497 A C -0.808 176.779 177.584 0.005 0.000 1.198 497 A CA -0.614 51.430 52.037 0.012 0.000 0.742 497 A CB 0.492 19.496 19.000 0.005 0.000 1.176 497 A HN 0.834 nan 8.150 nan 0.000 0.444 498 D N 1.017 121.421 120.400 0.006 0.000 2.350 498 D HA 0.052 4.692 4.640 0.000 0.000 0.213 498 D C 0.089 176.385 176.300 -0.007 0.000 1.031 498 D CA 0.920 54.920 54.000 0.001 0.000 0.861 498 D CB 0.429 41.233 40.800 0.006 0.000 0.926 498 D HN 0.786 nan 8.370 nan 0.000 0.520 499 N N -1.112 117.585 118.700 -0.005 0.000 2.934 499 N HA 0.060 4.800 4.740 0.000 0.000 0.253 499 N C 0.286 175.795 175.510 -0.002 0.000 1.466 499 N CA -0.740 52.307 53.050 -0.005 0.000 0.858 499 N CB 1.113 39.601 38.487 0.001 0.000 1.459 499 N HN -0.249 nan 8.380 nan 0.000 0.532 500 L N 0.025 121.249 121.223 0.003 0.000 2.013 500 L HA -0.055 4.285 4.340 0.000 0.000 0.212 500 L C 1.674 178.549 176.870 0.008 0.000 1.073 500 L CA 2.058 56.902 54.840 0.006 0.000 0.753 500 L CB -0.887 41.180 42.059 0.015 0.000 0.890 500 L HN 0.663 nan 8.230 nan 0.000 0.432 501 E N -0.424 119.781 120.200 0.010 0.000 2.110 501 E HA -0.237 4.113 4.350 0.000 0.000 0.193 501 E C 2.207 178.813 176.600 0.010 0.000 0.988 501 E CA 1.327 57.733 56.400 0.010 0.000 0.804 501 E CB -0.239 29.467 29.700 0.010 0.000 0.745 501 E HN 0.689 nan 8.360 nan 0.000 0.458 502 Q N 0.021 119.826 119.800 0.009 0.000 2.119 502 Q HA -0.120 4.220 4.340 0.000 0.000 0.201 502 Q C 2.263 178.269 176.000 0.010 0.000 0.972 502 Q CA 0.688 56.498 55.803 0.010 0.000 0.847 502 Q CB -0.142 28.602 28.738 0.010 0.000 0.903 502 Q HN 0.121 nan 8.270 nan 0.000 0.433 503 L N 1.456 122.683 121.223 0.006 0.000 1.989 503 L HA -0.238 4.102 4.340 0.000 0.000 0.211 503 L C 1.859 178.735 176.870 0.010 0.000 1.071 503 L CA 1.942 56.784 54.840 0.004 0.000 0.749 503 L CB -0.337 41.719 42.059 -0.005 0.000 0.890 503 L HN 0.005 nan 8.230 nan 0.000 0.431 504 K N -0.711 119.695 120.400 0.011 0.000 2.032 504 K HA -0.143 4.177 4.320 0.000 0.000 0.209 504 K C 2.001 178.610 176.600 0.015 0.000 1.048 504 K CA 1.383 57.678 56.287 0.014 0.000 0.927 504 K CB -0.840 31.669 32.500 0.014 0.000 0.712 504 K HN 0.583 nan 8.250 nan 0.000 0.441 505 G N 0.677 109.485 108.800 0.014 0.000 2.418 505 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 505 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 505 G C 1.546 176.455 174.900 0.016 0.000 1.158 505 G CA 0.943 46.051 45.100 0.014 0.000 0.771 505 G HN 0.192 nan 8.290 nan 0.000 0.545 506 S N 0.526 116.236 115.700 0.018 0.000 2.348 506 S HA -0.029 4.441 4.470 0.000 0.000 0.221 506 S C 2.309 176.922 174.600 0.022 0.000 1.033 506 S CA 0.890 59.103 58.200 0.022 0.000 1.010 506 S CB -0.350 62.864 63.200 0.024 0.000 0.891 506 S HN 0.293 nan 8.310 nan 0.000 0.442 507 L N 1.332 122.568 121.223 0.020 0.000 2.013 507 L HA -0.241 4.099 4.340 0.000 0.000 0.212 507 L C 2.905 179.784 176.870 0.016 0.000 1.073 507 L CA 1.710 56.562 54.840 0.020 0.000 0.753 507 L CB -0.548 41.525 42.059 0.024 0.000 0.890 507 L HN 0.418 nan 8.230 nan 0.000 0.432 508 Q N -0.035 119.774 119.800 0.015 0.000 2.096 508 Q HA -0.291 4.049 4.340 0.000 0.000 0.204 508 Q C 2.126 178.133 176.000 0.011 0.000 0.982 508 Q CA 2.061 57.871 55.803 0.012 0.000 0.850 508 Q CB -0.023 28.722 28.738 0.012 0.000 0.901 508 Q HN 0.476 nan 8.270 nan 0.000 0.422 509 E N -0.692 119.516 120.200 0.014 0.000 2.072 509 E HA -0.178 4.172 4.350 0.000 0.000 0.191 509 E C 1.842 178.451 176.600 0.015 0.000 0.985 509 E CA 0.852 57.261 56.400 0.014 0.000 0.801 509 E CB -0.134 29.577 29.700 0.018 0.000 0.750 509 E HN 0.472 nan 8.360 nan 0.000 0.452 510 A N 1.108 123.939 122.820 0.017 0.000 1.858 510 A HA -0.186 4.134 4.320 0.000 0.000 0.216 510 A C 2.079 179.665 177.584 0.003 0.000 1.190 510 A CA 1.124 53.171 52.037 0.017 0.000 0.617 510 A CB -0.716 18.296 19.000 0.021 0.000 0.827 510 A HN 0.287 nan 8.150 nan 0.000 0.443 511 L N 0.862 122.083 121.223 -0.002 0.000 2.021 511 L HA -0.203 4.137 4.340 0.000 0.000 0.215 511 L C 2.906 179.770 176.870 -0.010 0.000 1.074 511 L CA 2.655 57.488 54.840 -0.012 0.000 0.760 511 L CB -1.132 40.922 42.059 -0.008 0.000 0.889 511 L HN 0.630 nan 8.230 nan 0.000 0.433 512 S N -1.520 114.178 115.700 -0.002 0.000 2.527 512 S HA 0.237 4.707 4.470 0.000 0.000 0.222 512 S C 1.107 175.708 174.600 0.001 0.000 0.985 512 S CA 0.098 58.297 58.200 -0.001 0.000 0.921 512 S CB -0.481 62.720 63.200 0.002 0.000 0.772 512 S HN 0.311 nan 8.310 nan 0.000 0.529 513 A N 2.044 124.867 122.820 0.004 0.000 2.483 513 A HA 0.372 4.692 4.320 0.000 0.000 0.238 513 A C 1.142 178.729 177.584 0.005 0.000 1.070 513 A CA -0.376 51.666 52.037 0.009 0.000 0.770 513 A CB 0.319 19.329 19.000 0.017 0.000 1.008 513 A HN 0.243 nan 8.150 nan 0.000 0.497 514 K N 1.345 121.749 120.400 0.007 0.000 2.426 514 K HA 0.104 4.424 4.320 0.000 0.000 0.193 514 K C 0.923 177.528 176.600 0.008 0.000 1.028 514 K CA 0.951 57.240 56.287 0.004 0.000 1.047 514 K CB 0.172 32.674 32.500 0.003 0.000 0.821 514 K HN 0.762 nan 8.250 nan 0.000 0.513 515 G N 1.936 110.746 108.800 0.015 0.000 3.140 515 G HA2 0.409 4.369 3.960 0.000 0.000 0.271 515 G HA3 0.409 4.369 3.960 0.000 0.000 0.271 515 G C -2.921 172.005 174.900 0.043 0.000 1.370 515 G CA -1.278 43.837 45.100 0.025 0.000 1.014 515 G HN -0.206 nan 8.290 nan 0.000 0.541 516 P HA 0.380 nan 4.420 nan 0.000 0.271 516 P C -0.865 176.530 177.300 0.158 0.000 1.218 516 P CA -0.122 63.064 63.100 0.142 0.000 0.780 516 P CB 1.716 33.566 31.700 0.250 0.000 0.901 517 V N 3.460 123.489 119.914 0.193 0.000 2.808 517 V HA 0.365 4.485 4.120 0.000 0.000 0.308 517 V C -0.104 176.152 176.094 0.270 0.000 1.099 517 V CA -0.753 61.652 62.300 0.175 0.000 0.920 517 V CB 2.203 34.081 31.823 0.093 0.000 1.014 517 V HN 0.475 nan 8.190 nan 0.000 0.425 518 L N 5.495 126.858 121.223 0.232 0.000 2.322 518 L HA 0.722 5.062 4.340 0.000 0.000 0.281 518 L C -1.160 175.798 176.870 0.146 0.000 1.014 518 L CA -0.376 54.607 54.840 0.238 0.000 0.815 518 L CB 1.363 43.526 42.059 0.173 0.000 1.247 518 L HN 0.615 nan 8.230 nan 0.000 0.421 519 I N 4.553 125.196 120.570 0.123 0.000 2.410 519 I HA 0.314 4.484 4.170 0.000 0.000 0.286 519 I C -0.398 175.749 176.117 0.049 0.000 1.009 519 I CA -0.455 60.890 61.300 0.076 0.000 1.111 519 I CB 1.859 39.892 38.000 0.055 0.000 1.262 519 I HN 0.614 nan 8.210 nan 0.000 0.443 520 E N 6.301 126.534 120.200 0.054 0.000 2.105 520 E HA 0.365 4.715 4.350 0.000 0.000 0.285 520 E C -1.261 175.348 176.600 0.015 0.000 1.055 520 E CA -0.491 55.928 56.400 0.032 0.000 0.843 520 E CB 1.212 30.984 29.700 0.120 0.000 1.067 520 E HN 0.353 nan 8.360 nan 0.000 0.398 521 V N 3.890 123.790 119.914 -0.023 0.000 2.394 521 V HA 0.157 4.277 4.120 0.000 0.000 0.282 521 V C -0.053 176.025 176.094 -0.026 0.000 1.031 521 V CA -0.749 61.535 62.300 -0.026 0.000 0.881 521 V CB 1.674 33.467 31.823 -0.051 0.000 0.982 521 V HN 0.624 nan 8.190 nan 0.000 0.451 522 S N 3.892 119.583 115.700 -0.015 0.000 2.405 522 S HA 0.372 4.842 4.470 0.000 0.000 0.291 522 S C 0.514 175.090 174.600 -0.040 0.000 1.137 522 S CA -0.502 57.690 58.200 -0.013 0.000 1.061 522 S CB 0.298 63.495 63.200 -0.004 0.000 1.001 522 S HN 0.973 nan 8.310 nan 0.000 0.507 523 T N -0.527 114.003 114.554 -0.041 0.000 2.952 523 T HA 0.691 5.041 4.350 0.000 0.000 0.286 523 T C 0.355 175.016 174.700 -0.065 0.000 1.024 523 T CA -0.986 61.075 62.100 -0.066 0.000 1.029 523 T CB 0.949 69.784 68.868 -0.055 0.000 1.094 523 T HN 0.395 nan 8.240 nan 0.000 0.515 524 V N -0.983 118.866 119.914 -0.108 0.000 2.953 524 V HA 0.799 4.919 4.120 0.000 0.000 0.304 524 V C 0.679 176.764 176.094 -0.016 0.000 1.073 524 V CA -0.315 61.928 62.300 -0.095 0.000 1.064 524 V CB -0.188 31.508 31.823 -0.213 0.000 1.047 524 V HN 1.402 nan 8.190 nan 0.000 0.478 525 S N 0.000 115.709 115.700 0.014 0.000 2.498 525 S HA 0.000 4.470 4.470 0.000 0.000 0.327 525 S CA 0.000 58.232 58.200 0.054 0.000 1.107 525 S CB 0.000 63.236 63.200 0.060 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517