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_J 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 52.113 52.037 0.127 0.000 0.836 2 A CB 0.000 19.094 19.000 0.157 0.000 0.831 3 S N 0.170 115.977 115.700 0.178 0.000 2.652 3 S HA 0.516 4.986 4.470 0.000 0.000 0.270 3 S C 1.112 175.877 174.600 0.275 0.000 1.243 3 S CA 0.015 58.343 58.200 0.214 0.000 0.999 3 S CB 1.160 64.502 63.200 0.237 0.000 0.973 3 S HN 1.426 nan 8.310 nan 0.000 0.544 4 V N 1.617 121.703 119.914 0.287 0.000 2.392 4 V HA -0.200 3.920 4.120 0.000 0.000 0.249 4 V C 2.551 178.957 176.094 0.521 0.000 1.059 4 V CA 2.269 64.756 62.300 0.312 0.000 1.051 4 V CB -1.424 30.513 31.823 0.189 0.000 0.658 4 V HN 1.036 nan 8.190 nan 0.000 0.455 5 H N 0.834 120.221 119.070 0.529 0.000 2.253 5 H HA -0.167 4.390 4.556 0.000 0.000 0.296 5 H C 2.329 177.895 175.328 0.396 0.000 1.074 5 H CA 2.339 58.714 56.048 0.544 0.000 1.263 5 H CB -0.552 29.430 29.762 0.367 0.000 1.363 5 H HN 0.403 nan 8.280 nan 0.000 0.489 6 G N -0.442 108.627 108.800 0.449 0.000 2.459 6 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 6 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 6 G C 1.824 176.865 174.900 0.234 0.000 1.183 6 G CA 1.600 46.876 45.100 0.293 0.000 0.776 6 G HN 0.475 nan 8.290 nan 0.000 0.552 7 T N 0.908 115.633 114.554 0.284 0.000 2.759 7 T HA -0.122 4.228 4.350 0.000 0.000 0.269 7 T C 2.616 177.516 174.700 0.335 0.000 1.042 7 T CA 1.807 64.117 62.100 0.351 0.000 1.140 7 T CB -0.496 68.579 68.868 0.345 0.000 0.864 7 T HN 0.313 nan 8.240 nan 0.000 0.455 8 T N 0.820 115.541 114.554 0.278 0.000 2.737 8 T HA -0.063 4.287 4.350 0.000 0.000 0.265 8 T C 1.643 176.344 174.700 0.002 0.000 1.038 8 T CA 1.115 63.334 62.100 0.198 0.000 1.144 8 T CB -0.528 68.528 68.868 0.314 0.000 0.866 8 T HN 0.442 nan 8.240 nan 0.000 0.434 9 Y N 1.197 121.437 120.300 -0.100 0.000 2.274 9 Y HA -0.089 4.461 4.550 0.000 0.000 0.290 9 Y C 2.641 178.470 175.900 -0.118 0.000 1.145 9 Y CA 1.130 59.055 58.100 -0.292 0.000 1.203 9 Y CB -0.120 37.991 38.460 -0.581 0.000 0.984 9 Y HN 0.177 nan 8.280 nan 0.000 0.533 10 E N 0.524 120.737 120.200 0.022 0.000 2.047 10 E HA -0.189 4.161 4.350 0.000 0.000 0.191 10 E C 2.019 178.480 176.600 -0.231 0.000 0.987 10 E CA 1.001 57.283 56.400 -0.196 0.000 0.799 10 E CB -0.549 28.875 29.700 -0.460 0.000 0.752 10 E HN 0.345 nan 8.360 nan 0.000 0.449 11 L N 0.297 121.529 121.223 0.014 0.000 2.012 11 L HA -0.131 4.209 4.340 0.000 0.000 0.210 11 L C 2.176 179.122 176.870 0.127 0.000 1.073 11 L CA 1.747 56.730 54.840 0.240 0.000 0.748 11 L CB -0.669 41.612 42.059 0.369 0.000 0.891 11 L HN 0.282 nan 8.230 nan 0.000 0.431 12 L N -0.335 120.944 121.223 0.092 0.000 1.989 12 L HA -0.249 4.091 4.340 0.000 0.000 0.211 12 L C 2.901 179.844 176.870 0.123 0.000 1.071 12 L CA 2.109 57.007 54.840 0.098 0.000 0.749 12 L CB -0.739 41.352 42.059 0.053 0.000 0.890 12 L HN 0.423 nan 8.230 nan 0.000 0.431 13 R N -0.317 120.295 120.500 0.186 0.000 2.075 13 R HA -0.116 4.224 4.340 0.000 0.000 0.232 13 R C 2.245 178.535 176.300 -0.016 0.000 1.126 13 R CA 0.859 56.977 56.100 0.030 0.000 0.963 13 R CB -0.500 29.844 30.300 0.073 0.000 0.858 13 R HN 0.183 nan 8.270 nan 0.000 0.435 14 R N 0.639 121.131 120.500 -0.012 0.000 2.193 14 R HA -0.015 4.325 4.340 0.000 0.000 0.229 14 R C 1.429 177.761 176.300 0.053 0.000 1.110 14 R CA 0.901 57.004 56.100 0.005 0.000 0.988 14 R CB -0.120 30.178 30.300 -0.003 0.000 0.871 14 R HN 0.434 nan 8.270 nan 0.000 0.458 15 Q N -0.618 119.214 119.800 0.054 0.000 2.246 15 Q HA 0.154 4.494 4.340 0.000 0.000 0.202 15 Q C 0.703 176.716 176.000 0.021 0.000 0.883 15 Q CA 0.404 56.234 55.803 0.045 0.000 0.952 15 Q CB 0.959 29.715 28.738 0.030 0.000 1.078 15 Q HN 0.527 nan 8.270 nan 0.000 0.493 16 G N 1.116 109.916 108.800 0.001 0.000 2.176 16 G HA2 -0.263 3.697 3.960 0.000 0.000 0.253 16 G HA3 -0.263 3.697 3.960 0.000 0.000 0.253 16 G C 0.246 175.122 174.900 -0.039 0.000 0.979 16 G CA -0.074 45.015 45.100 -0.019 0.000 0.641 16 G HN 0.355 nan 8.290 nan 0.000 0.530 17 I N 1.510 122.055 120.570 -0.042 0.000 2.395 17 I HA 0.445 4.615 4.170 0.000 0.000 0.289 17 I C 0.694 176.599 176.117 -0.352 0.000 1.023 17 I CA 0.161 61.431 61.300 -0.048 0.000 1.350 17 I CB 1.335 39.373 38.000 0.063 0.000 1.409 17 I HN 0.250 nan 8.210 nan 0.000 0.507 18 D N 1.491 121.661 120.400 -0.383 0.000 2.497 18 D HA 0.073 4.713 4.640 0.000 0.000 0.256 18 D C -0.119 175.958 176.300 -0.373 0.000 1.273 18 D CA -0.033 53.470 54.000 -0.828 0.000 0.812 18 D CB 0.475 40.941 40.800 -0.556 0.000 1.190 18 D HN 0.283 nan 8.370 nan 0.000 0.524 19 T N 0.269 114.766 114.554 -0.095 0.000 2.848 19 T HA 0.587 4.937 4.350 0.000 0.000 0.285 19 T C -0.826 173.881 174.700 0.012 0.000 0.995 19 T CA -0.599 61.430 62.100 -0.119 0.000 0.970 19 T CB 2.522 71.154 68.868 -0.393 0.000 0.976 19 T HN -0.115 nan 8.240 nan 0.000 0.441 20 V N 3.963 123.883 119.914 0.009 0.000 2.378 20 V HA 0.512 4.632 4.120 0.000 0.000 0.288 20 V C -1.003 174.873 176.094 -0.364 0.000 1.016 20 V CA -0.848 61.572 62.300 0.199 0.000 0.840 20 V CB 0.728 32.907 31.823 0.594 0.000 0.994 20 V HN 0.794 nan 8.190 nan 0.000 0.431 21 F N 3.196 123.103 119.950 -0.072 0.000 2.415 21 F HA 0.851 5.378 4.527 0.000 0.000 0.348 21 F C 0.880 176.549 175.800 -0.219 0.000 1.119 21 F CA -0.059 57.792 58.000 -0.248 0.000 1.069 21 F CB 1.898 40.809 39.000 -0.148 0.000 1.124 21 F HN 0.662 nan 8.300 nan 0.000 0.472 22 G N 2.159 110.835 108.800 -0.208 0.000 2.488 22 G HA2 0.268 4.228 3.960 0.000 0.000 0.301 22 G HA3 0.268 4.228 3.960 0.000 0.000 0.301 22 G C -2.232 172.748 174.900 0.132 0.000 1.339 22 G CA -0.911 44.197 45.100 0.013 0.000 0.803 22 G HN 0.523 nan 8.290 nan 0.000 0.482 23 N N 1.151 119.981 118.700 0.216 0.000 2.549 23 N HA 0.376 5.116 4.740 0.000 0.000 0.281 23 N C -2.774 172.854 175.510 0.197 0.000 1.084 23 N CA -1.167 52.004 53.050 0.201 0.000 0.862 23 N CB 3.007 41.569 38.487 0.126 0.000 1.333 23 N HN 0.371 nan 8.380 nan 0.000 0.523 24 P HA 0.229 nan 4.420 nan 0.000 0.269 24 P C -0.151 177.115 177.300 -0.057 0.000 1.217 24 P CA 0.197 63.346 63.100 0.080 0.000 0.783 24 P CB 1.214 32.909 31.700 -0.008 0.000 0.898 25 G N -0.584 108.152 108.800 -0.107 0.000 2.660 25 G HA2 0.366 4.326 3.960 0.000 0.000 0.290 25 G HA3 0.366 4.326 3.960 0.000 0.000 0.290 25 G C 0.741 175.538 174.900 -0.173 0.000 1.432 25 G CA 0.045 44.858 45.100 -0.478 0.000 0.807 25 G HN 0.427 nan 8.290 nan 0.000 0.485 26 S N 0.132 115.726 115.700 -0.177 0.000 2.382 26 S HA -0.163 4.307 4.470 0.000 0.000 0.228 26 S C 1.732 176.288 174.600 -0.074 0.000 1.027 26 S CA 1.705 59.846 58.200 -0.098 0.000 0.991 26 S CB -0.302 62.836 63.200 -0.103 0.000 0.823 26 S HN 0.435 nan 8.310 nan 0.000 0.469 27 N N 1.960 120.754 118.700 0.156 0.000 2.443 27 N HA -0.023 4.717 4.740 0.000 0.000 0.184 27 N C 1.073 176.761 175.510 0.296 0.000 1.037 27 N CA 1.251 54.439 53.050 0.229 0.000 0.896 27 N CB -0.321 38.366 38.487 0.333 0.000 0.959 27 N HN 0.633 nan 8.380 nan 0.000 0.442 28 E N -0.535 119.816 120.200 0.251 0.000 2.476 28 E HA 0.214 4.564 4.350 0.000 0.000 0.199 28 E C 1.746 178.465 176.600 0.198 0.000 1.021 28 E CA -0.153 56.419 56.400 0.285 0.000 0.907 28 E CB 0.074 29.951 29.700 0.296 0.000 0.974 28 E HN 0.219 nan 8.360 nan 0.000 0.489 29 L N 1.012 122.282 121.223 0.079 0.000 2.042 29 L HA -0.131 4.209 4.340 0.000 0.000 0.210 29 L C -0.659 176.236 176.870 0.042 0.000 1.076 29 L CA 1.469 56.315 54.840 0.010 0.000 0.749 29 L CB -1.360 40.665 42.059 -0.057 0.000 0.893 29 L HN 0.135 nan 8.230 nan 0.000 0.432 30 P HA -0.202 nan 4.420 nan 0.000 0.222 30 P C 1.311 178.685 177.300 0.124 0.000 1.147 30 P CA 1.299 64.522 63.100 0.205 0.000 0.790 30 P CB 0.011 31.991 31.700 0.467 0.000 0.780 31 F N -0.351 119.442 119.950 -0.261 0.000 2.262 31 F HA 0.080 4.607 4.527 0.000 0.000 0.292 31 F C 1.705 177.475 175.800 -0.051 0.000 1.081 31 F CA 1.023 58.640 58.000 -0.638 0.000 1.355 31 F CB -0.642 37.742 39.000 -1.027 0.000 1.069 31 F HN -0.290 nan 8.300 nan 0.000 0.506 32 L N 1.063 122.187 121.223 -0.165 0.000 2.313 32 L HA -0.033 4.307 4.340 0.000 0.000 0.214 32 L C 1.067 177.881 176.870 -0.093 0.000 1.119 32 L CA 0.218 54.956 54.840 -0.169 0.000 0.809 32 L CB -0.817 41.155 42.059 -0.145 0.000 0.933 32 L HN 0.043 nan 8.230 nan 0.000 0.449 33 K N 0.296 120.650 120.400 -0.076 0.000 2.469 33 K HA -0.073 4.247 4.320 0.000 0.000 0.274 33 K C -0.316 176.212 176.600 -0.120 0.000 0.983 33 K CA -0.101 56.126 56.287 -0.101 0.000 0.974 33 K CB 0.340 32.773 32.500 -0.112 0.000 0.913 33 K HN 0.004 nan 8.250 nan 0.000 0.493 34 D N 0.646 120.974 120.400 -0.121 0.000 2.723 34 D HA -0.214 4.426 4.640 0.000 0.000 0.236 34 D C -0.722 175.479 176.300 -0.164 0.000 1.138 34 D CA 0.772 54.687 54.000 -0.140 0.000 0.676 34 D CB -1.324 39.346 40.800 -0.216 0.000 1.069 34 D HN 0.510 nan 8.370 nan 0.000 0.430 35 F N 1.137 120.898 119.950 -0.316 0.000 2.571 35 F HA 0.149 4.676 4.527 0.000 0.000 0.390 35 F C -1.379 174.192 175.800 -0.382 0.000 1.043 35 F CA -1.318 56.424 58.000 -0.430 0.000 1.164 35 F CB 0.306 39.139 39.000 -0.278 0.000 1.049 35 F HN -0.136 nan 8.300 nan 0.000 0.552 36 P HA -0.058 nan 4.420 nan 0.000 0.265 36 P C 0.290 177.417 177.300 -0.287 0.000 1.187 36 P CA 0.318 63.079 63.100 -0.565 0.000 0.766 36 P CB 0.476 31.754 31.700 -0.703 0.000 0.820 37 E N 1.533 121.660 120.200 -0.121 0.000 2.338 37 E HA -0.147 4.204 4.350 0.000 0.000 0.197 37 E C 0.743 177.340 176.600 -0.006 0.000 1.007 37 E CA 0.870 57.251 56.400 -0.033 0.000 0.849 37 E CB -0.077 29.608 29.700 -0.026 0.000 0.774 37 E HN 0.619 nan 8.360 nan 0.000 0.506 38 D N -0.275 120.130 120.400 0.009 0.000 2.328 38 D HA -0.027 4.613 4.640 0.000 0.000 0.221 38 D C 0.041 176.283 176.300 -0.097 0.000 1.072 38 D CA -0.007 53.979 54.000 -0.023 0.000 0.850 38 D CB -0.137 40.640 40.800 -0.038 0.000 0.922 38 D HN -0.041 nan 8.370 nan 0.000 0.516 39 F N 1.156 120.961 119.950 -0.241 0.000 2.556 39 F HA 0.484 5.011 4.527 0.000 0.000 0.327 39 F C 0.625 176.429 175.800 0.007 0.000 1.059 39 F CA -1.167 56.686 58.000 -0.246 0.000 0.953 39 F CB 1.730 40.335 39.000 -0.658 0.000 1.227 39 F HN -0.217 nan 8.300 nan 0.000 0.478 40 R N 1.066 121.756 120.500 0.316 0.000 2.686 40 R HA 0.575 4.915 4.340 0.000 0.000 0.283 40 R C -2.236 174.271 176.300 0.345 0.000 0.978 40 R CA -0.883 55.410 56.100 0.323 0.000 0.897 40 R CB 1.752 32.078 30.300 0.043 0.000 1.192 40 R HN 0.681 nan 8.270 nan 0.000 0.457 41 Y N 3.322 123.663 120.300 0.069 0.000 2.341 41 Y HA 0.460 5.010 4.550 0.000 0.000 0.337 41 Y C -0.839 174.906 175.900 -0.258 0.000 1.014 41 Y CA -1.208 56.798 58.100 -0.157 0.000 1.111 41 Y CB 1.436 39.633 38.460 -0.439 0.000 1.194 41 Y HN 0.526 nan 8.280 nan 0.000 0.462 42 I N 8.061 128.196 120.570 -0.725 0.000 2.354 42 I HA 0.199 4.369 4.170 0.000 0.000 0.286 42 I C -0.876 175.019 176.117 -0.369 0.000 1.007 42 I CA -0.791 60.104 61.300 -0.676 0.000 1.167 42 I CB 1.000 38.530 38.000 -0.783 0.000 1.320 42 I HN 0.505 nan 8.210 nan 0.000 0.458 43 L N 6.770 128.096 121.223 0.172 0.000 2.312 43 L HA 0.808 5.148 4.340 0.000 0.000 0.281 43 L C -0.097 177.017 176.870 0.407 0.000 1.070 43 L CA 0.106 55.167 54.840 0.368 0.000 0.805 43 L CB 1.361 43.786 42.059 0.610 0.000 1.174 43 L HN 0.694 nan 8.230 nan 0.000 0.434 44 A N 4.886 127.868 122.820 0.270 0.000 2.386 44 A HA 0.535 4.856 4.320 0.000 0.000 0.311 44 A C 0.415 178.068 177.584 0.115 0.000 1.068 44 A CA -0.635 51.537 52.037 0.225 0.000 0.743 44 A CB 1.066 20.152 19.000 0.143 0.000 1.258 44 A HN 0.871 nan 8.150 nan 0.000 0.429 45 L N 0.087 121.321 121.223 0.019 0.000 2.465 45 L HA 0.036 4.377 4.340 0.000 0.000 0.224 45 L C 0.960 177.801 176.870 -0.048 0.000 1.145 45 L CA 0.992 55.766 54.840 -0.110 0.000 0.834 45 L CB -0.056 41.847 42.059 -0.260 0.000 0.944 45 L HN 0.708 nan 8.230 nan 0.000 0.451 46 Q N -0.577 119.222 119.800 -0.002 0.000 2.320 46 Q HA 0.109 4.449 4.340 0.000 0.000 0.272 46 Q C -0.139 175.887 176.000 0.044 0.000 1.023 46 Q CA -0.300 55.514 55.803 0.019 0.000 0.855 46 Q CB 2.311 31.057 28.738 0.014 0.000 1.367 46 Q HN -0.025 nan 8.270 nan 0.000 0.406 47 E N 1.450 121.684 120.200 0.056 0.000 2.147 47 E HA -0.225 4.126 4.350 0.000 0.000 0.199 47 E C 1.526 178.159 176.600 0.055 0.000 1.005 47 E CA 2.046 58.484 56.400 0.064 0.000 0.810 47 E CB -0.020 29.723 29.700 0.070 0.000 0.736 47 E HN 0.664 nan 8.360 nan 0.000 0.460 48 A N -0.054 122.797 122.820 0.053 0.000 1.972 48 A HA -0.197 4.123 4.320 0.000 0.000 0.219 48 A C 2.287 179.900 177.584 0.048 0.000 1.169 48 A CA 1.408 53.478 52.037 0.056 0.000 0.635 48 A CB -0.702 18.340 19.000 0.070 0.000 0.810 48 A HN 0.428 nan 8.150 nan 0.000 0.446 49 C N -1.621 117.705 119.300 0.043 0.000 2.475 49 C HA 0.039 4.500 4.460 0.000 0.000 0.279 49 C C 2.650 177.657 174.990 0.029 0.000 1.322 49 C CA 0.569 59.606 59.018 0.032 0.000 1.734 49 C CB -1.137 26.622 27.740 0.031 0.000 2.005 49 C HN 0.437 nan 8.230 nan 0.000 0.495 50 V N 1.261 121.203 119.914 0.047 0.000 2.233 50 V HA -0.224 3.896 4.120 0.000 0.000 0.247 50 V C 2.478 178.571 176.094 -0.001 0.000 1.050 50 V CA 2.350 64.684 62.300 0.057 0.000 1.010 50 V CB -0.819 31.051 31.823 0.078 0.000 0.637 50 V HN 0.444 nan 8.190 nan 0.000 0.444 51 V N 0.772 120.689 119.914 0.005 0.000 2.407 51 V HA -0.154 3.966 4.120 0.000 0.000 0.248 51 V C 2.604 178.672 176.094 -0.043 0.000 1.055 51 V CA 2.014 64.303 62.300 -0.018 0.000 1.049 51 V CB -1.408 30.430 31.823 0.025 0.000 0.662 51 V HN 0.630 nan 8.190 nan 0.000 0.455 52 G N 0.057 108.846 108.800 -0.018 0.000 2.421 52 G HA2 -0.218 3.743 3.960 0.000 0.000 0.216 52 G HA3 -0.218 3.743 3.960 0.000 0.000 0.216 52 G C 1.569 176.374 174.900 -0.159 0.000 1.171 52 G CA 1.059 46.135 45.100 -0.040 0.000 0.775 52 G HN 0.482 nan 8.290 nan 0.000 0.543 53 I N 1.353 121.826 120.570 -0.163 0.000 2.142 53 I HA -0.174 3.996 4.170 0.000 0.000 0.240 53 I C 3.324 179.160 176.117 -0.469 0.000 1.078 53 I CA 1.031 62.200 61.300 -0.218 0.000 1.343 53 I CB -0.309 37.641 38.000 -0.083 0.000 1.046 53 I HN 0.245 nan 8.210 nan 0.000 0.405 54 A N 0.264 122.645 122.820 -0.731 0.000 1.940 54 A HA -0.294 4.026 4.320 0.000 0.000 0.219 54 A C 2.075 179.409 177.584 -0.416 0.000 1.176 54 A CA 2.192 53.566 52.037 -1.105 0.000 0.631 54 A CB -0.652 17.878 19.000 -0.784 0.000 0.814 54 A HN 0.446 nan 8.150 nan 0.000 0.446 55 D N -0.334 119.942 120.400 -0.206 0.000 2.084 55 D HA -0.094 4.546 4.640 0.000 0.000 0.194 55 D C 2.110 178.376 176.300 -0.056 0.000 0.990 55 D CA 1.728 55.706 54.000 -0.035 0.000 0.826 55 D CB -0.633 40.242 40.800 0.126 0.000 0.971 55 D HN 0.311 nan 8.370 nan 0.000 0.453 56 G N -0.917 107.790 108.800 -0.155 0.000 2.440 56 G HA2 -0.319 3.642 3.960 0.000 0.000 0.218 56 G HA3 -0.319 3.642 3.960 0.000 0.000 0.218 56 G C 1.695 176.480 174.900 -0.192 0.000 1.154 56 G CA 0.954 45.893 45.100 -0.268 0.000 0.767 56 G HN 0.370 nan 8.290 nan 0.000 0.552 57 Y N 1.957 122.100 120.300 -0.262 0.000 2.181 57 Y HA -0.015 4.535 4.550 0.000 0.000 0.288 57 Y C 2.930 178.775 175.900 -0.092 0.000 1.146 57 Y CA 1.464 59.470 58.100 -0.157 0.000 1.164 57 Y CB -0.346 38.011 38.460 -0.171 0.000 0.982 57 Y HN 0.252 nan 8.280 nan 0.000 0.515 58 A N 0.026 122.844 122.820 -0.004 0.000 1.873 58 A HA -0.222 4.098 4.320 0.000 0.000 0.215 58 A C 2.121 179.679 177.584 -0.043 0.000 1.186 58 A CA 1.838 53.867 52.037 -0.013 0.000 0.616 58 A CB -0.751 18.274 19.000 0.043 0.000 0.823 58 A HN 0.639 nan 8.150 nan 0.000 0.442 59 Q N -0.715 119.064 119.800 -0.035 0.000 2.084 59 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 59 Q C 2.408 178.434 176.000 0.043 0.000 0.978 59 Q CA 1.462 57.284 55.803 0.033 0.000 0.844 59 Q CB -0.342 28.433 28.738 0.061 0.000 0.898 59 Q HN 0.691 nan 8.270 nan 0.000 0.426 60 A N 1.038 123.808 122.820 -0.084 0.000 1.898 60 A HA -0.130 4.190 4.320 0.000 0.000 0.214 60 A C 2.234 179.771 177.584 -0.079 0.000 1.183 60 A CA 1.499 53.520 52.037 -0.027 0.000 0.622 60 A CB -0.459 18.478 19.000 -0.106 0.000 0.824 60 A HN 0.425 nan 8.150 nan 0.000 0.444 61 S N -1.245 114.327 115.700 -0.213 0.000 2.481 61 S HA -0.046 4.424 4.470 0.000 0.000 0.231 61 S C 0.970 175.504 174.600 -0.111 0.000 0.996 61 S CA 0.690 58.747 58.200 -0.239 0.000 0.942 61 S CB -0.368 62.536 63.200 -0.493 0.000 0.768 61 S HN 0.524 nan 8.310 nan 0.000 0.520 62 R N 0.378 120.843 120.500 -0.058 0.000 3.641 62 R HA -0.118 4.222 4.340 0.000 0.000 0.286 62 R C -0.884 175.412 176.300 -0.007 0.000 1.153 62 R CA 1.003 57.099 56.100 -0.007 0.000 0.775 62 R CB -1.977 28.328 30.300 0.009 0.000 1.215 62 R HN 0.564 nan 8.270 nan 0.000 0.474 63 K N -0.051 120.340 120.400 -0.016 0.000 2.512 63 K HA 0.438 4.758 4.320 0.000 0.000 0.263 63 K C -2.554 174.078 176.600 0.054 0.000 0.966 63 K CA -2.027 54.269 56.287 0.015 0.000 0.851 63 K CB 2.579 35.084 32.500 0.009 0.000 1.395 63 K HN -0.219 nan 8.250 nan 0.000 0.440 64 P HA 0.045 nan 4.420 nan 0.000 0.269 64 P C -1.291 176.133 177.300 0.207 0.000 1.215 64 P CA -0.219 62.953 63.100 0.120 0.000 0.780 64 P CB 0.828 32.591 31.700 0.105 0.000 0.898 65 A N 2.817 125.774 122.820 0.228 0.000 2.342 65 A HA 0.571 4.891 4.320 0.000 0.000 0.323 65 A C -1.124 176.669 177.584 0.347 0.000 1.125 65 A CA -0.655 51.587 52.037 0.343 0.000 0.785 65 A CB 0.533 19.668 19.000 0.225 0.000 1.221 65 A HN 0.501 nan 8.150 nan 0.000 0.463 66 F N 2.692 122.831 119.950 0.314 0.000 2.408 66 F HA 0.710 5.237 4.527 0.000 0.000 0.344 66 F C -0.417 175.569 175.800 0.310 0.000 1.112 66 F CA -0.490 57.670 58.000 0.266 0.000 1.096 66 F CB 0.696 39.849 39.000 0.255 0.000 1.129 66 F HN 0.431 nan 8.300 nan 0.000 0.486 67 I N 4.729 125.085 120.570 -0.357 0.000 2.689 67 I HA 0.315 4.485 4.170 0.000 0.000 0.299 67 I C -1.159 174.762 176.117 -0.326 0.000 1.059 67 I CA -0.991 60.219 61.300 -0.150 0.000 1.055 67 I CB 2.242 40.207 38.000 -0.058 0.000 1.243 67 I HN 0.523 nan 8.210 nan 0.000 0.425 68 N N 5.922 124.618 118.700 -0.006 0.000 2.540 68 N HA 0.573 5.313 4.740 0.000 0.000 0.275 68 N C -1.601 173.991 175.510 0.138 0.000 1.053 68 N CA -0.319 52.777 53.050 0.078 0.000 0.876 68 N CB 1.032 39.738 38.487 0.364 0.000 1.284 68 N HN 0.472 nan 8.380 nan 0.000 0.518 69 L N 1.075 122.360 121.223 0.103 0.000 2.304 69 L HA 0.484 4.824 4.340 0.000 0.000 0.268 69 L C -0.277 176.710 176.870 0.195 0.000 1.010 69 L CA -1.230 53.702 54.840 0.152 0.000 0.813 69 L CB 1.254 43.393 42.059 0.134 0.000 1.315 69 L HN 0.567 nan 8.230 nan 0.000 0.445 70 H N 0.488 119.619 119.070 0.102 0.000 2.690 70 H HA 0.307 4.863 4.556 0.000 0.000 0.289 70 H C 0.300 175.683 175.328 0.093 0.000 1.089 70 H CA 0.650 56.756 56.048 0.096 0.000 1.299 70 H CB 0.668 30.479 29.762 0.081 0.000 1.405 70 H HN 0.694 nan 8.280 nan 0.000 0.463 71 S N 2.945 118.487 115.700 -0.262 0.000 2.865 71 S HA -0.379 4.091 4.470 0.000 0.000 0.630 71 S C 1.789 176.349 174.600 -0.067 0.000 3.160 71 S CA 1.633 59.703 58.200 -0.217 0.000 3.629 71 S CB -1.268 61.677 63.200 -0.425 0.000 0.312 71 S HN 1.096 nan 8.310 nan 0.000 1.632 72 A N 0.509 123.291 122.820 -0.062 0.000 1.855 72 A HA 0.257 4.577 4.320 0.000 0.000 0.215 72 A C 2.689 180.267 177.584 -0.010 0.000 1.191 72 A CA 2.797 54.823 52.037 -0.019 0.000 0.613 72 A CB -1.629 17.355 19.000 -0.026 0.000 0.829 72 A HN 1.770 nan 8.150 nan 0.000 0.442 73 A N -0.481 122.334 122.820 -0.008 0.000 1.908 73 A HA 0.049 4.369 4.320 0.000 0.000 0.218 73 A C 2.425 180.040 177.584 0.052 0.000 1.181 73 A CA 2.173 54.227 52.037 0.028 0.000 0.627 73 A CB -1.455 17.580 19.000 0.059 0.000 0.818 73 A HN 0.763 nan 8.150 nan 0.000 0.445 74 G N -1.350 107.496 108.800 0.076 0.000 2.404 74 G HA2 -0.128 3.832 3.960 0.000 0.000 0.215 74 G HA3 -0.128 3.832 3.960 0.000 0.000 0.215 74 G C 1.587 176.536 174.900 0.081 0.000 1.174 74 G CA 1.629 46.794 45.100 0.107 0.000 0.780 74 G HN 0.433 nan 8.290 nan 0.000 0.537 75 T N 1.099 115.699 114.554 0.076 0.000 2.708 75 T HA -0.063 4.287 4.350 0.000 0.000 0.266 75 T C 2.502 177.199 174.700 -0.005 0.000 1.037 75 T CA 1.524 63.660 62.100 0.060 0.000 1.146 75 T CB -0.693 68.211 68.868 0.059 0.000 0.865 75 T HN 0.356 nan 8.240 nan 0.000 0.435 76 G N 2.289 111.082 108.800 -0.012 0.000 2.476 76 G HA2 -0.289 3.672 3.960 0.000 0.000 0.218 76 G HA3 -0.289 3.672 3.960 0.000 0.000 0.218 76 G C 1.599 176.497 174.900 -0.002 0.000 1.164 76 G CA 0.784 45.870 45.100 -0.023 0.000 0.768 76 G HN 0.402 nan 8.290 nan 0.000 0.560 77 N N 1.046 119.758 118.700 0.021 0.000 2.443 77 N HA -0.015 4.726 4.740 0.000 0.000 0.184 77 N C 1.953 177.483 175.510 0.033 0.000 1.037 77 N CA 0.996 54.065 53.050 0.032 0.000 0.896 77 N CB -0.141 38.373 38.487 0.045 0.000 0.959 77 N HN 0.367 nan 8.380 nan 0.000 0.442 78 A N -0.275 122.561 122.820 0.027 0.000 2.348 78 A HA 0.176 4.496 4.320 0.000 0.000 0.224 78 A C 1.883 179.472 177.584 0.008 0.000 1.227 78 A CA -0.106 51.948 52.037 0.029 0.000 0.885 78 A CB 0.016 19.041 19.000 0.041 0.000 0.933 78 A HN -0.001 nan 8.150 nan 0.000 0.506 79 M N -0.144 119.447 119.600 -0.015 0.000 2.108 79 M HA -0.137 4.343 4.480 0.000 0.000 0.261 79 M C 2.198 178.482 176.300 -0.027 0.000 1.066 79 M CA 1.690 56.965 55.300 -0.040 0.000 1.107 79 M CB -1.676 30.888 32.600 -0.059 0.000 1.356 79 M HN 0.476 nan 8.290 nan 0.000 0.406 80 G N -0.136 108.659 108.800 -0.009 0.000 2.418 80 G HA2 -0.078 3.882 3.960 0.000 0.000 0.217 80 G HA3 -0.078 3.882 3.960 0.000 0.000 0.217 80 G C 1.676 176.575 174.900 -0.002 0.000 1.158 80 G CA 1.252 46.347 45.100 -0.010 0.000 0.771 80 G HN 0.553 nan 8.290 nan 0.000 0.545 81 A N 0.524 123.359 122.820 0.025 0.000 1.933 81 A HA 0.112 4.432 4.320 0.000 0.000 0.218 81 A C 2.410 180.020 177.584 0.042 0.000 1.175 81 A CA 1.173 53.242 52.037 0.052 0.000 0.628 81 A CB -0.376 18.664 19.000 0.068 0.000 0.814 81 A HN 0.356 nan 8.150 nan 0.000 0.444 82 L N 0.494 121.735 121.223 0.031 0.000 2.201 82 L HA -0.170 4.170 4.340 0.000 0.000 0.212 82 L C 2.998 179.904 176.870 0.060 0.000 1.105 82 L CA 1.420 56.289 54.840 0.049 0.000 0.775 82 L CB -0.485 41.589 42.059 0.026 0.000 0.913 82 L HN 0.657 nan 8.230 nan 0.000 0.440 83 S N -0.312 115.393 115.700 0.009 0.000 2.382 83 S HA -0.172 4.298 4.470 0.000 0.000 0.228 83 S C 1.770 176.388 174.600 0.030 0.000 1.027 83 S CA 1.212 59.413 58.200 0.002 0.000 0.991 83 S CB -0.364 62.806 63.200 -0.050 0.000 0.823 83 S HN 0.432 nan 8.310 nan 0.000 0.469 84 N N 2.511 121.191 118.700 -0.033 0.000 2.106 84 N HA 0.085 4.825 4.740 0.000 0.000 0.188 84 N C 2.117 177.582 175.510 -0.075 0.000 1.029 84 N CA 1.471 54.446 53.050 -0.125 0.000 0.848 84 N CB -1.001 37.324 38.487 -0.269 0.000 1.007 84 N HN 0.602 nan 8.380 nan 0.000 0.423 85 A N 1.569 124.391 122.820 0.003 0.000 1.948 85 A HA -0.184 4.136 4.320 0.000 0.000 0.220 85 A C 2.046 179.672 177.584 0.070 0.000 1.177 85 A CA 1.213 53.275 52.037 0.042 0.000 0.636 85 A CB -1.119 17.932 19.000 0.085 0.000 0.815 85 A HN 0.611 nan 8.150 nan 0.000 0.449 86 W N 1.093 122.363 121.300 -0.051 0.000 2.358 86 W HA -0.192 4.468 4.660 0.000 0.000 0.303 86 W C 1.374 177.821 176.519 -0.119 0.000 1.208 86 W CA 2.008 59.327 57.345 -0.043 0.000 1.274 86 W CB -0.498 28.940 29.460 -0.036 0.000 1.138 86 W HN 0.415 nan 8.180 nan 0.000 0.515 87 N N 0.304 119.006 118.700 0.004 0.000 2.331 87 N HA -0.144 4.596 4.740 0.000 0.000 0.180 87 N C 1.774 177.085 175.510 -0.332 0.000 1.019 87 N CA 2.037 54.991 53.050 -0.161 0.000 0.881 87 N CB -0.450 38.015 38.487 -0.038 0.000 0.972 87 N HN 0.131 nan 8.380 nan 0.000 0.435 88 S N -1.536 114.023 115.700 -0.235 0.000 2.556 88 S HA 0.096 4.566 4.470 0.000 0.000 0.216 88 S C -0.124 174.418 174.600 -0.096 0.000 0.970 88 S CA -0.312 57.793 58.200 -0.159 0.000 0.912 88 S CB -0.550 62.611 63.200 -0.066 0.000 0.790 88 S HN 0.398 nan 8.310 nan 0.000 0.504 89 H N 0.850 119.848 119.070 -0.121 0.000 2.791 89 H HA -0.131 4.425 4.556 0.000 0.000 0.302 89 H C -0.653 174.641 175.328 -0.056 0.000 1.198 89 H CA 0.394 56.358 56.048 -0.139 0.000 1.145 89 H CB -2.151 27.540 29.762 -0.118 0.000 1.385 89 H HN 0.372 nan 8.280 nan 0.000 0.409 90 S N 2.494 118.231 115.700 0.062 0.000 2.481 90 S HA 0.119 4.590 4.470 0.000 0.000 0.276 90 S C -1.808 172.833 174.600 0.069 0.000 1.247 90 S CA -0.995 57.246 58.200 0.069 0.000 1.053 90 S CB 0.935 64.173 63.200 0.063 0.000 0.925 90 S HN 0.211 nan 8.310 nan 0.000 0.491 91 P HA 0.192 nan 4.420 nan 0.000 0.263 91 P C -1.063 176.289 177.300 0.085 0.000 1.601 91 P CA 0.007 63.149 63.100 0.070 0.000 1.161 91 P CB -0.175 31.559 31.700 0.058 0.000 1.730 92 L N 4.580 125.858 121.223 0.091 0.000 2.313 92 L HA 0.506 4.846 4.340 0.000 0.000 0.283 92 L C 0.679 177.605 176.870 0.093 0.000 1.013 92 L CA -0.974 53.918 54.840 0.087 0.000 0.816 92 L CB 1.975 44.076 42.059 0.070 0.000 1.236 92 L HN 0.160 nan 8.230 nan 0.000 0.419 93 I N 4.271 124.885 120.570 0.072 0.000 2.310 93 I HA 0.191 4.361 4.170 0.000 0.000 0.287 93 I C -0.289 175.746 176.117 -0.137 0.000 1.073 93 I CA -0.515 60.804 61.300 0.032 0.000 1.216 93 I CB 1.219 39.285 38.000 0.110 0.000 1.415 93 I HN 0.249 nan 8.210 nan 0.000 0.480 94 V N 5.293 125.181 119.914 -0.043 0.000 2.385 94 V HA 0.274 4.395 4.120 0.000 0.000 0.269 94 V C 0.593 176.575 176.094 -0.186 0.000 1.043 94 V CA -0.357 61.904 62.300 -0.066 0.000 0.906 94 V CB 1.059 32.974 31.823 0.153 0.000 0.995 94 V HN 0.791 nan 8.190 nan 0.000 0.467 95 T N 2.293 116.652 114.554 -0.325 0.000 2.829 95 T HA 0.863 5.213 4.350 0.000 0.000 0.280 95 T C -0.417 174.144 174.700 -0.231 0.000 0.999 95 T CA -0.550 61.346 62.100 -0.340 0.000 0.983 95 T CB 1.955 70.616 68.868 -0.346 0.000 0.968 95 T HN 0.949 nan 8.240 nan 0.000 0.446 96 A N 2.049 124.709 122.820 -0.267 0.000 2.393 96 A HA 0.863 5.184 4.320 0.000 0.000 0.306 96 A C 0.388 177.952 177.584 -0.033 0.000 1.050 96 A CA -0.736 51.247 52.037 -0.090 0.000 0.724 96 A CB 1.233 20.223 19.000 -0.018 0.000 1.248 96 A HN 1.332 nan 8.150 nan 0.000 0.424 97 G N 0.666 109.514 108.800 0.081 0.000 2.378 97 G HA2 0.460 4.420 3.960 0.000 0.000 0.255 97 G HA3 0.460 4.420 3.960 0.000 0.000 0.255 97 G C -0.111 174.846 174.900 0.096 0.000 1.270 97 G CA 0.035 45.233 45.100 0.164 0.000 0.876 97 G HN 0.839 nan 8.290 nan 0.000 0.521 98 Q N 0.646 120.512 119.800 0.110 0.000 2.204 98 Q HA 0.337 4.677 4.340 0.000 0.000 0.254 98 Q C 0.334 176.418 176.000 0.140 0.000 0.981 98 Q CA -0.634 55.202 55.803 0.056 0.000 0.897 98 Q CB 1.002 29.727 28.738 -0.023 0.000 1.273 98 Q HN 0.504 nan 8.270 nan 0.000 0.464 99 Q N 0.250 120.100 119.800 0.083 0.000 2.492 99 Q HA 0.100 4.440 4.340 0.000 0.000 0.238 99 Q C -0.561 175.348 176.000 -0.152 0.000 1.045 99 Q CA 0.208 56.074 55.803 0.105 0.000 0.934 99 Q CB 0.805 29.579 28.738 0.060 0.000 1.276 99 Q HN 0.836 nan 8.270 nan 0.000 0.521 100 T N 0.695 114.964 114.554 -0.475 0.000 2.928 100 T HA 0.033 4.383 4.350 0.000 0.000 0.305 100 T C 1.288 175.817 174.700 -0.285 0.000 1.035 100 T CA 0.077 61.771 62.100 -0.676 0.000 1.145 100 T CB 0.341 68.719 68.868 -0.816 0.000 0.963 100 T HN 0.512 nan 8.240 nan 0.000 0.545 101 R N 3.235 123.595 120.500 -0.233 0.000 2.154 101 R HA -0.164 4.177 4.340 0.000 0.000 0.248 101 R C 2.505 178.741 176.300 -0.106 0.000 1.155 101 R CA 1.559 57.572 56.100 -0.144 0.000 0.979 101 R CB -0.532 29.692 30.300 -0.126 0.000 0.869 101 R HN 0.759 nan 8.270 nan 0.000 0.452 102 A N 0.117 122.872 122.820 -0.109 0.000 2.121 102 A HA -0.044 4.276 4.320 0.000 0.000 0.218 102 A C 1.716 179.270 177.584 -0.049 0.000 1.154 102 A CA 1.020 53.016 52.037 -0.067 0.000 0.679 102 A CB -0.022 18.944 19.000 -0.056 0.000 0.795 102 A HN 0.200 nan 8.150 nan 0.000 0.458 103 M N -1.283 118.283 119.600 -0.057 0.000 2.347 103 M HA 0.315 4.795 4.480 0.000 0.000 0.324 103 M C 0.906 177.191 176.300 -0.025 0.000 1.028 103 M CA 0.119 55.403 55.300 -0.026 0.000 0.988 103 M CB 0.259 32.859 32.600 -0.000 0.000 1.528 103 M HN 0.301 nan 8.290 nan 0.000 0.550 104 I N 0.229 120.774 120.570 -0.043 0.000 2.439 104 I HA -0.111 4.059 4.170 0.000 0.000 0.251 104 I C 2.456 178.555 176.117 -0.030 0.000 1.139 104 I CA 1.285 62.562 61.300 -0.039 0.000 1.438 104 I CB -0.493 37.473 38.000 -0.057 0.000 1.085 104 I HN 0.374 nan 8.210 nan 0.000 0.427 105 G N 1.285 110.068 108.800 -0.030 0.000 2.446 105 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 105 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 105 G C 1.629 176.519 174.900 -0.016 0.000 1.168 105 G CA 1.379 46.465 45.100 -0.024 0.000 0.771 105 G HN 0.385 nan 8.290 nan 0.000 0.551 106 V N -2.266 117.641 119.914 -0.011 0.000 3.380 106 V HA 0.238 4.358 4.120 0.000 0.000 0.268 106 V C 0.711 176.804 176.094 -0.003 0.000 1.168 106 V CA 0.992 63.289 62.300 -0.005 0.000 1.156 106 V CB -0.827 30.996 31.823 -0.000 0.000 0.785 106 V HN 0.520 nan 8.190 nan 0.000 0.487 107 E N -0.034 120.163 120.200 -0.005 0.000 2.260 107 E HA -0.169 4.181 4.350 0.000 0.000 0.204 107 E C 0.535 177.140 176.600 0.009 0.000 1.319 107 E CA 0.186 56.585 56.400 -0.002 0.000 0.679 107 E CB -1.374 28.324 29.700 -0.005 0.000 1.158 107 E HN 1.002 nan 8.360 nan 0.000 0.376 108 A N 0.950 123.780 122.820 0.016 0.000 2.406 108 A HA 0.374 4.694 4.320 0.000 0.000 0.243 108 A C 0.441 178.047 177.584 0.037 0.000 1.082 108 A CA -0.316 51.739 52.037 0.030 0.000 0.786 108 A CB 0.434 19.459 19.000 0.043 0.000 1.029 108 A HN 0.376 nan 8.150 nan 0.000 0.495 109 L N 0.821 122.070 121.223 0.043 0.000 2.573 109 L HA 0.039 4.379 4.340 0.000 0.000 0.290 109 L C 0.865 177.773 176.870 0.064 0.000 1.247 109 L CA 1.458 56.327 54.840 0.048 0.000 0.876 109 L CB -0.325 41.766 42.059 0.053 0.000 1.123 109 L HN 0.746 nan 8.230 nan 0.000 0.505 110 L N 1.397 122.650 121.223 0.051 0.000 4.892 110 L HA -0.218 4.123 4.340 0.000 0.000 0.403 110 L C 0.289 177.166 176.870 0.011 0.000 0.913 110 L CA 0.467 55.328 54.840 0.035 0.000 1.653 110 L CB -2.458 39.664 42.059 0.105 0.000 1.780 110 L HN 0.766 nan 8.230 nan 0.000 0.597 111 T N 1.023 115.587 114.554 0.016 0.000 2.814 111 T HA 0.158 4.508 4.350 0.000 0.000 0.297 111 T C 0.618 175.309 174.700 -0.015 0.000 0.956 111 T CA -0.032 62.070 62.100 0.003 0.000 1.123 111 T CB 1.065 69.933 68.868 0.000 0.000 0.902 111 T HN 0.132 nan 8.240 nan 0.000 0.528 112 N N 3.963 122.651 118.700 -0.021 0.000 2.482 112 N HA 0.117 4.857 4.740 0.000 0.000 0.242 112 N C -0.489 175.008 175.510 -0.022 0.000 1.100 112 N CA -0.245 52.794 53.050 -0.019 0.000 0.946 112 N CB 0.207 38.693 38.487 -0.002 0.000 1.227 112 N HN 0.284 nan 8.380 nan 0.000 0.508 113 V N 3.318 123.217 119.914 -0.024 0.000 2.572 113 V HA -0.002 4.118 4.120 0.000 0.000 0.291 113 V C 0.919 176.992 176.094 -0.035 0.000 1.039 113 V CA -0.149 62.134 62.300 -0.029 0.000 1.055 113 V CB 0.637 32.444 31.823 -0.026 0.000 0.969 113 V HN 0.731 nan 8.190 nan 0.000 0.482 114 D N 3.365 123.740 120.400 -0.041 0.000 2.737 114 D HA -0.270 4.370 4.640 0.000 0.000 0.233 114 D C 1.364 177.637 176.300 -0.046 0.000 1.155 114 D CA 1.011 54.983 54.000 -0.047 0.000 0.667 114 D CB -0.592 40.181 40.800 -0.045 0.000 1.060 114 D HN 0.839 nan 8.370 nan 0.000 0.427 115 A N 0.597 123.398 122.820 -0.031 0.000 1.893 115 A HA -0.181 4.139 4.320 0.000 0.000 0.222 115 A C 2.576 180.183 177.584 0.037 0.000 1.309 115 A CA 3.602 55.651 52.037 0.020 0.000 0.681 115 A CB -1.323 17.698 19.000 0.035 0.000 0.842 115 A HN 1.061 nan 8.150 nan 0.000 0.468 116 A N -0.881 121.940 122.820 0.001 0.000 2.032 116 A HA -0.228 4.092 4.320 0.000 0.000 0.221 116 A C 1.846 179.385 177.584 -0.075 0.000 1.165 116 A CA 1.976 54.005 52.037 -0.012 0.000 0.645 116 A CB -0.658 18.290 19.000 -0.087 0.000 0.807 116 A HN 0.622 nan 8.150 nan 0.000 0.453 117 N N -0.641 118.009 118.700 -0.083 0.000 2.457 117 N HA -0.045 4.695 4.740 0.000 0.000 0.180 117 N C 1.474 176.900 175.510 -0.140 0.000 1.050 117 N CA 0.809 53.799 53.050 -0.100 0.000 0.906 117 N CB -0.314 38.127 38.487 -0.077 0.000 0.968 117 N HN 0.434 nan 8.380 nan 0.000 0.445 118 L N 2.796 123.920 121.223 -0.166 0.000 1.970 118 L HA -0.065 4.275 4.340 0.000 0.000 0.212 118 L C -0.886 175.816 176.870 -0.280 0.000 1.071 118 L CA 2.128 56.844 54.840 -0.207 0.000 0.751 118 L CB -1.494 40.439 42.059 -0.210 0.000 0.889 118 L HN 0.108 nan 8.230 nan 0.000 0.432 119 P HA -0.102 nan 4.420 nan 0.000 0.233 119 P C 0.044 177.192 177.300 -0.254 0.000 1.167 119 P CA 0.513 63.378 63.100 -0.392 0.000 0.770 119 P CB -0.101 31.228 31.700 -0.617 0.000 0.837 120 R N 1.898 122.268 120.500 -0.217 0.000 2.643 120 R HA 0.129 4.469 4.340 0.000 0.000 0.270 120 R C -1.369 174.812 176.300 -0.200 0.000 1.061 120 R CA -0.904 55.084 56.100 -0.186 0.000 1.107 120 R CB -0.124 30.093 30.300 -0.138 0.000 0.999 120 R HN 0.128 nan 8.270 nan 0.000 0.460 121 P HA 0.100 nan 4.420 nan 0.000 0.248 121 P C -0.038 176.916 177.300 -0.577 0.000 1.708 121 P CA 0.288 63.186 63.100 -0.337 0.000 1.062 121 P CB 0.264 31.775 31.700 -0.315 0.000 1.562 122 L N 0.070 121.040 121.223 -0.421 0.000 2.685 122 L HA 0.185 4.525 4.340 0.000 0.000 0.233 122 L C 0.755 177.587 176.870 -0.062 0.000 1.173 122 L CA -0.256 54.333 54.840 -0.418 0.000 0.961 122 L CB 0.219 42.151 42.059 -0.212 0.000 1.217 122 L HN -0.077 nan 8.230 nan 0.000 0.478 123 V N -5.337 114.573 119.914 -0.006 0.000 3.007 123 V HA 0.374 4.494 4.120 0.000 0.000 0.311 123 V C 0.609 176.986 176.094 0.472 0.000 1.120 123 V CA -1.047 61.439 62.300 0.310 0.000 0.980 123 V CB 2.169 34.099 31.823 0.177 0.000 1.033 123 V HN 0.028 nan 8.190 nan 0.000 0.429 124 K N 0.859 121.583 120.400 0.539 0.000 2.155 124 K HA 0.084 4.404 4.320 0.000 0.000 0.203 124 K C -0.231 176.631 176.600 0.438 0.000 1.052 124 K CA 1.667 58.233 56.287 0.465 0.000 0.948 124 K CB 0.167 32.841 32.500 0.290 0.000 0.728 124 K HN 0.744 nan 8.250 nan 0.000 0.448 125 W N -0.055 121.347 121.300 0.170 0.000 3.425 125 W HA 0.316 4.976 4.660 0.000 0.000 0.318 125 W C -1.636 174.983 176.519 0.166 0.000 1.201 125 W CA -0.674 56.750 57.345 0.131 0.000 1.212 125 W CB 1.918 31.429 29.460 0.086 0.000 1.355 125 W HN -0.361 nan 8.180 nan 0.000 0.515 126 S N 5.190 120.652 115.700 -0.398 0.000 2.571 126 S HA 0.760 5.230 4.470 0.000 0.000 0.284 126 S C -2.069 172.184 174.600 -0.578 0.000 1.128 126 S CA -0.307 57.711 58.200 -0.302 0.000 0.970 126 S CB 0.742 63.898 63.200 -0.073 0.000 1.039 126 S HN 0.507 nan 8.310 nan 0.000 0.485 127 Y N 2.213 122.072 120.300 -0.734 0.000 2.624 127 Y HA 0.572 5.122 4.550 0.000 0.000 0.334 127 Y C -1.535 174.139 175.900 -0.375 0.000 1.155 127 Y CA -0.718 56.981 58.100 -0.668 0.000 1.046 127 Y CB 1.559 39.304 38.460 -1.192 0.000 1.316 127 Y HN 0.687 nan 8.280 nan 0.000 0.457 128 E N 5.186 124.810 120.200 -0.960 0.000 2.265 128 E HA 0.489 4.839 4.350 0.000 0.000 0.262 128 E C -2.952 173.097 176.600 -0.918 0.000 0.889 128 E CA -2.395 53.604 56.400 -0.669 0.000 0.789 128 E CB 1.942 31.399 29.700 -0.405 0.000 1.221 128 E HN 0.312 nan 8.360 nan 0.000 0.414 129 P HA 0.038 nan 4.420 nan 0.000 0.267 129 P C -0.279 176.908 177.300 -0.188 0.000 1.200 129 P CA 0.159 63.143 63.100 -0.192 0.000 0.772 129 P CB 0.996 32.684 31.700 -0.021 0.000 0.855 130 A N 1.455 124.232 122.820 -0.073 0.000 2.218 130 A HA 0.267 4.587 4.320 0.000 0.000 0.209 130 A C 0.559 178.116 177.584 -0.044 0.000 1.168 130 A CA 0.965 52.966 52.037 -0.060 0.000 0.804 130 A CB -0.506 18.491 19.000 -0.005 0.000 0.834 130 A HN 0.605 nan 8.150 nan 0.000 0.482 131 S N -3.903 111.775 115.700 -0.036 0.000 2.567 131 S HA 0.595 5.065 4.470 0.000 0.000 0.270 131 S C 0.624 175.192 174.600 -0.054 0.000 1.152 131 S CA -0.020 58.157 58.200 -0.039 0.000 0.835 131 S CB 0.957 64.153 63.200 -0.008 0.000 1.115 131 S HN 0.981 nan 8.310 nan 0.000 0.459 132 A N 1.718 124.496 122.820 -0.070 0.000 1.883 132 A HA 0.237 4.557 4.320 0.000 0.000 0.217 132 A C 2.321 179.876 177.584 -0.049 0.000 1.186 132 A CA 2.146 54.125 52.037 -0.097 0.000 0.624 132 A CB -1.626 17.326 19.000 -0.080 0.000 0.822 132 A HN 1.823 nan 8.150 nan 0.000 0.444 133 A N -0.792 122.025 122.820 -0.004 0.000 2.131 133 A HA -0.174 4.147 4.320 0.000 0.000 0.220 133 A C 1.932 179.547 177.584 0.050 0.000 1.158 133 A CA 1.679 53.733 52.037 0.028 0.000 0.665 133 A CB -0.443 18.576 19.000 0.031 0.000 0.795 133 A HN 0.680 nan 8.150 nan 0.000 0.460 134 E N -0.193 120.040 120.200 0.055 0.000 2.371 134 E HA -0.017 4.333 4.350 0.000 0.000 0.194 134 E C 1.643 178.319 176.600 0.128 0.000 1.012 134 E CA 0.599 57.072 56.400 0.123 0.000 0.860 134 E CB -0.033 29.756 29.700 0.147 0.000 0.811 134 E HN 0.378 nan 8.360 nan 0.000 0.502 135 V N 1.782 121.716 119.914 0.033 0.000 2.250 135 V HA -0.248 3.872 4.120 0.000 0.000 0.250 135 V C -0.698 175.453 176.094 0.095 0.000 1.060 135 V CA 2.347 64.642 62.300 -0.008 0.000 1.030 135 V CB -1.532 30.158 31.823 -0.221 0.000 0.643 135 V HN 0.286 nan 8.190 nan 0.000 0.445 136 P HA -0.205 nan 4.420 nan 0.000 0.216 136 P C 1.708 179.134 177.300 0.209 0.000 1.153 136 P CA 1.848 65.058 63.100 0.183 0.000 0.858 136 P CB -0.203 31.601 31.700 0.174 0.000 0.789 137 H N -0.590 118.527 119.070 0.079 0.000 2.321 137 H HA -0.086 4.470 4.556 0.000 0.000 0.300 137 H C 1.808 177.190 175.328 0.090 0.000 1.087 137 H CA 1.232 57.318 56.048 0.062 0.000 1.319 137 H CB -0.149 29.638 29.762 0.042 0.000 1.379 137 H HN -0.012 nan 8.280 nan 0.000 0.501 138 A N 0.915 123.789 122.820 0.089 0.000 1.933 138 A HA -0.204 4.116 4.320 0.000 0.000 0.218 138 A C 2.371 180.075 177.584 0.199 0.000 1.175 138 A CA 1.735 53.858 52.037 0.144 0.000 0.628 138 A CB -0.632 18.561 19.000 0.322 0.000 0.814 138 A HN 0.514 nan 8.150 nan 0.000 0.444 139 M N -0.261 119.448 119.600 0.182 0.000 2.175 139 M HA -0.062 4.418 4.480 0.000 0.000 0.264 139 M C 2.263 178.641 176.300 0.131 0.000 1.063 139 M CA 2.003 57.419 55.300 0.194 0.000 1.119 139 M CB -0.557 32.170 32.600 0.211 0.000 1.377 139 M HN 0.386 nan 8.290 nan 0.000 0.415 140 S N -0.113 115.655 115.700 0.113 0.000 2.356 140 S HA -0.165 4.305 4.470 0.000 0.000 0.223 140 S C 2.045 176.658 174.600 0.021 0.000 1.032 140 S CA 1.577 59.834 58.200 0.095 0.000 1.005 140 S CB -0.179 63.143 63.200 0.204 0.000 0.867 140 S HN 0.620 nan 8.310 nan 0.000 0.449 141 R N 0.781 121.213 120.500 -0.113 0.000 2.081 141 R HA -0.013 4.327 4.340 0.000 0.000 0.235 141 R C 2.691 178.753 176.300 -0.397 0.000 1.131 141 R CA 1.343 57.200 56.100 -0.406 0.000 0.960 141 R CB -0.676 29.098 30.300 -0.877 0.000 0.856 141 R HN 0.500 nan 8.270 nan 0.000 0.436 142 A N 1.482 124.247 122.820 -0.093 0.000 1.883 142 A HA -0.170 4.150 4.320 0.000 0.000 0.217 142 A C 2.199 179.814 177.584 0.052 0.000 1.186 142 A CA 1.381 53.520 52.037 0.170 0.000 0.624 142 A CB -0.589 18.611 19.000 0.333 0.000 0.822 142 A HN 0.192 nan 8.150 nan 0.000 0.444 143 I N -1.060 119.494 120.570 -0.026 0.000 2.163 143 I HA -0.288 3.882 4.170 0.000 0.000 0.243 143 I C 2.482 178.469 176.117 -0.216 0.000 1.085 143 I CA 1.530 62.753 61.300 -0.129 0.000 1.347 143 I CB -0.599 37.240 38.000 -0.269 0.000 1.044 143 I HN 0.424 nan 8.210 nan 0.000 0.408 144 H N -0.277 118.767 119.070 -0.043 0.000 2.403 144 H HA 0.004 4.560 4.556 0.000 0.000 0.298 144 H C 2.322 177.593 175.328 -0.094 0.000 1.059 144 H CA 1.035 57.036 56.048 -0.078 0.000 1.363 144 H CB -0.116 29.582 29.762 -0.106 0.000 1.410 144 H HN 0.245 nan 8.280 nan 0.000 0.528 145 M N 0.425 119.999 119.600 -0.042 0.000 2.213 145 M HA -0.042 4.438 4.480 0.000 0.000 0.263 145 M C 2.387 178.701 176.300 0.025 0.000 1.062 145 M CA 0.860 56.124 55.300 -0.061 0.000 1.105 145 M CB -0.839 31.673 32.600 -0.148 0.000 1.385 145 M HN 0.216 nan 8.290 nan 0.000 0.417 146 A N -1.169 121.679 122.820 0.047 0.000 1.970 146 A HA -0.011 4.309 4.320 0.000 0.000 0.216 146 A C 2.387 179.992 177.584 0.035 0.000 1.170 146 A CA 1.498 53.574 52.037 0.065 0.000 0.645 146 A CB -0.403 18.651 19.000 0.088 0.000 0.816 146 A HN 0.454 nan 8.150 nan 0.000 0.447 147 S N -0.342 115.371 115.700 0.022 0.000 2.425 147 S HA 0.175 4.645 4.470 0.000 0.000 0.225 147 S C 0.890 175.492 174.600 0.003 0.000 1.024 147 S CA 0.182 58.391 58.200 0.015 0.000 0.951 147 S CB -0.244 62.965 63.200 0.014 0.000 0.796 147 S HN 0.538 nan 8.310 nan 0.000 0.498 148 M N 1.786 121.387 119.600 0.002 0.000 2.243 148 M HA 0.276 4.756 4.480 0.000 0.000 0.341 148 M C 0.286 176.555 176.300 -0.053 0.000 1.130 148 M CA -0.378 54.910 55.300 -0.021 0.000 1.162 148 M CB 0.290 32.874 32.600 -0.025 0.000 1.497 148 M HN 0.139 nan 8.290 nan 0.000 0.456 149 A N 4.725 127.504 122.820 -0.068 0.000 2.440 149 A HA 0.430 4.751 4.320 0.000 0.000 0.251 149 A C -2.226 175.282 177.584 -0.127 0.000 1.089 149 A CA -1.119 50.847 52.037 -0.118 0.000 0.779 149 A CB -0.676 18.262 19.000 -0.104 0.000 1.022 149 A HN 0.528 nan 8.150 nan 0.000 0.492 150 P HA 0.178 nan 4.420 nan 0.000 0.287 150 P C -0.672 176.476 177.300 -0.253 0.000 1.281 150 P CA -0.272 62.615 63.100 -0.355 0.000 0.781 150 P CB 0.814 32.203 31.700 -0.518 0.000 0.903 151 Q N 1.140 120.820 119.800 -0.201 0.000 2.432 151 Q HA 0.487 4.827 4.340 0.000 0.000 0.264 151 Q C 0.689 176.673 176.000 -0.026 0.000 1.035 151 Q CA 0.440 56.202 55.803 -0.068 0.000 0.908 151 Q CB 0.404 29.133 28.738 -0.016 0.000 1.280 151 Q HN 0.736 nan 8.270 nan 0.000 0.455 152 G N 1.248 110.054 108.800 0.010 0.000 2.451 152 G HA2 0.344 4.304 3.960 0.000 0.000 0.292 152 G HA3 0.344 4.304 3.960 0.000 0.000 0.292 152 G C -3.078 171.885 174.900 0.106 0.000 1.427 152 G CA -0.886 44.227 45.100 0.022 0.000 0.792 152 G HN 0.388 nan 8.290 nan 0.000 0.498 153 P HA 0.464 nan 4.420 nan 0.000 0.279 153 P C -0.099 177.347 177.300 0.244 0.000 1.239 153 P CA -0.173 63.041 63.100 0.190 0.000 0.789 153 P CB 1.699 33.514 31.700 0.192 0.000 0.933 154 V N 0.872 120.927 119.914 0.235 0.000 3.001 154 V HA 0.627 4.747 4.120 0.000 0.000 0.314 154 V C -1.454 174.813 176.094 0.288 0.000 1.099 154 V CA -1.101 61.381 62.300 0.305 0.000 0.989 154 V CB 2.154 34.199 31.823 0.370 0.000 1.040 154 V HN 0.492 nan 8.190 nan 0.000 0.434 155 Y N 2.862 123.211 120.300 0.082 0.000 2.361 155 Y HA 0.820 5.370 4.550 0.000 0.000 0.337 155 Y C -1.223 174.630 175.900 -0.078 0.000 0.965 155 Y CA -1.191 56.900 58.100 -0.016 0.000 1.091 155 Y CB 2.011 40.438 38.460 -0.055 0.000 1.182 155 Y HN 0.895 nan 8.280 nan 0.000 0.450 156 L N 5.361 126.288 121.223 -0.494 0.000 2.376 156 L HA 0.617 4.958 4.340 0.000 0.000 0.275 156 L C -1.110 175.409 176.870 -0.584 0.000 0.987 156 L CA -0.188 54.419 54.840 -0.389 0.000 0.828 156 L CB 1.925 43.933 42.059 -0.086 0.000 1.249 156 L HN 0.560 nan 8.230 nan 0.000 0.409 157 S N 4.166 119.577 115.700 -0.481 0.000 2.442 157 S HA 0.832 5.302 4.470 0.000 0.000 0.297 157 S C -1.050 173.417 174.600 -0.221 0.000 1.131 157 S CA -0.454 57.529 58.200 -0.362 0.000 1.092 157 S CB 0.878 63.925 63.200 -0.256 0.000 0.998 157 S HN 0.464 nan 8.310 nan 0.000 0.478 158 V N 7.486 127.316 119.914 -0.139 0.000 2.443 158 V HA 0.425 4.545 4.120 0.000 0.000 0.293 158 V C -2.481 173.569 176.094 -0.073 0.000 1.021 158 V CA -2.083 60.127 62.300 -0.150 0.000 0.848 158 V CB 1.584 33.290 31.823 -0.194 0.000 0.998 158 V HN 0.709 nan 8.190 nan 0.000 0.424 159 P HA 0.013 nan 4.420 nan 0.000 0.264 159 P C 0.315 177.595 177.300 -0.034 0.000 1.193 159 P CA 0.056 63.095 63.100 -0.102 0.000 0.763 159 P CB 0.186 31.780 31.700 -0.176 0.000 0.810 160 Y N 2.847 123.210 120.300 0.104 0.000 2.483 160 Y HA -0.152 4.398 4.550 0.000 0.000 0.291 160 Y C 1.289 177.323 175.900 0.224 0.000 1.143 160 Y CA 1.194 59.453 58.100 0.265 0.000 1.289 160 Y CB -1.135 37.491 38.460 0.276 0.000 0.983 160 Y HN 0.290 nan 8.280 nan 0.000 0.556 161 D N -0.835 119.499 120.400 -0.110 0.000 2.340 161 D HA -0.095 4.545 4.640 0.000 0.000 0.220 161 D C 0.559 176.853 176.300 -0.010 0.000 1.039 161 D CA 0.486 54.470 54.000 -0.026 0.000 0.866 161 D CB -0.228 40.457 40.800 -0.191 0.000 0.913 161 D HN 0.357 nan 8.370 nan 0.000 0.523 162 D N 0.614 120.941 120.400 -0.123 0.000 2.162 162 D HA -0.062 4.579 4.640 0.000 0.000 0.203 162 D C 1.661 177.894 176.300 -0.112 0.000 0.967 162 D CA 0.598 54.469 54.000 -0.215 0.000 0.840 162 D CB -0.537 39.995 40.800 -0.447 0.000 0.972 162 D HN 0.368 nan 8.370 nan 0.000 0.482 163 W N 1.624 123.037 121.300 0.188 0.000 2.305 163 W HA -0.162 4.498 4.660 0.000 0.000 0.308 163 W C 1.774 178.426 176.519 0.222 0.000 1.226 163 W CA 0.712 58.212 57.345 0.259 0.000 1.253 163 W CB -0.250 29.431 29.460 0.367 0.000 1.146 163 W HN -0.069 nan 8.180 nan 0.000 0.507 164 D N -0.204 120.413 120.400 0.361 0.000 2.317 164 D HA -0.045 4.595 4.640 0.000 0.000 0.211 164 D C 0.988 177.385 176.300 0.162 0.000 0.966 164 D CA 0.833 54.971 54.000 0.231 0.000 0.876 164 D CB -0.259 40.648 40.800 0.178 0.000 0.927 164 D HN -0.044 nan 8.370 nan 0.000 0.519 165 K N 1.606 122.086 120.400 0.132 0.000 2.230 165 K HA 0.063 4.383 4.320 0.000 0.000 0.253 165 K C 0.154 176.815 176.600 0.101 0.000 1.008 165 K CA -0.209 56.129 56.287 0.086 0.000 0.910 165 K CB 0.450 32.975 32.500 0.041 0.000 0.994 165 K HN -0.019 nan 8.250 nan 0.000 0.495 166 D N 0.453 120.901 120.400 0.079 0.000 2.382 166 D HA 0.162 4.802 4.640 0.000 0.000 0.245 166 D C -0.081 176.271 176.300 0.086 0.000 1.120 166 D CA 0.143 54.194 54.000 0.085 0.000 0.890 166 D CB 0.859 41.698 40.800 0.066 0.000 1.201 166 D HN 0.449 nan 8.370 nan 0.000 0.433 167 A N 1.637 124.520 122.820 0.106 0.000 2.293 167 A HA 0.226 4.547 4.320 0.000 0.000 0.302 167 A C 0.061 177.693 177.584 0.081 0.000 1.119 167 A CA -0.650 51.450 52.037 0.105 0.000 0.823 167 A CB 0.723 19.811 19.000 0.147 0.000 1.097 167 A HN 0.454 nan 8.150 nan 0.000 0.491 168 D N 1.607 122.044 120.400 0.062 0.000 2.417 168 D HA 0.214 4.854 4.640 0.000 0.000 0.250 168 D C -1.612 174.718 176.300 0.050 0.000 1.166 168 D CA -1.595 52.432 54.000 0.045 0.000 0.881 168 D CB 1.055 41.869 40.800 0.023 0.000 1.164 168 D HN 0.107 nan 8.370 nan 0.000 0.467 169 P HA -0.153 nan 4.420 nan 0.000 0.217 169 P C 0.999 178.369 177.300 0.117 0.000 1.148 169 P CA 0.985 64.141 63.100 0.092 0.000 0.828 169 P CB 0.234 31.984 31.700 0.082 0.000 0.783 170 Q N -0.921 118.911 119.800 0.054 0.000 2.541 170 Q HA -0.001 4.339 4.340 0.000 0.000 0.215 170 Q C 1.893 177.792 176.000 -0.169 0.000 0.977 170 Q CA 0.827 56.628 55.803 -0.002 0.000 0.934 170 Q CB -0.801 27.953 28.738 0.027 0.000 0.988 170 Q HN 0.283 nan 8.270 nan 0.000 0.521 171 S N 0.451 116.063 115.700 -0.147 0.000 2.447 171 S HA -0.131 4.339 4.470 0.000 0.000 0.233 171 S C 1.590 175.831 174.600 -0.600 0.000 1.006 171 S CA 0.886 58.940 58.200 -0.243 0.000 0.957 171 S CB -0.343 62.795 63.200 -0.103 0.000 0.773 171 S HN 0.630 nan 8.310 nan 0.000 0.507 172 H N 0.590 119.274 119.070 -0.644 0.000 2.457 172 H HA -0.086 4.470 4.556 0.000 0.000 0.297 172 H C 1.288 176.165 175.328 -0.751 0.000 1.092 172 H CA 1.434 56.828 56.048 -1.090 0.000 1.309 172 H CB -0.726 28.771 29.762 -0.441 0.000 1.382 172 H HN 0.491 nan 8.280 nan 0.000 0.535 173 H N 0.781 119.312 119.070 -0.898 0.000 2.543 173 H HA 0.015 4.572 4.556 0.000 0.000 0.286 173 H C 2.308 177.476 175.328 -0.267 0.000 1.037 173 H CA 0.903 56.650 56.048 -0.502 0.000 1.250 173 H CB 0.325 29.814 29.762 -0.455 0.000 1.373 173 H HN 0.425 nan 8.280 nan 0.000 0.580 174 L N -0.873 120.214 121.223 -0.225 0.000 2.202 174 L HA -0.064 4.276 4.340 0.000 0.000 0.205 174 L C 2.104 179.056 176.870 0.137 0.000 1.083 174 L CA 0.097 54.919 54.840 -0.029 0.000 0.790 174 L CB -0.400 41.652 42.059 -0.011 0.000 0.942 174 L HN 0.012 nan 8.230 nan 0.000 0.452 175 F N 1.057 121.071 119.950 0.107 0.000 2.048 175 F HA -0.319 4.209 4.527 0.000 0.000 0.296 175 F C 1.803 177.670 175.800 0.112 0.000 1.109 175 F CA 1.281 59.346 58.000 0.109 0.000 1.214 175 F CB -0.898 38.165 39.000 0.105 0.000 0.963 175 F HN 0.186 nan 8.300 nan 0.000 0.491 176 D N -0.138 120.449 120.400 0.311 0.000 2.463 176 D HA 0.065 4.705 4.640 0.000 0.000 0.224 176 D C 0.298 176.713 176.300 0.193 0.000 1.174 176 D CA -0.069 54.067 54.000 0.226 0.000 0.829 176 D CB -0.062 40.855 40.800 0.195 0.000 0.993 176 D HN 0.165 nan 8.370 nan 0.000 0.497 177 R N 1.109 121.721 120.500 0.186 0.000 2.522 177 R HA 0.053 4.393 4.340 0.000 0.000 0.284 177 R C 0.265 176.647 176.300 0.137 0.000 1.032 177 R CA 0.286 56.459 56.100 0.122 0.000 1.049 177 R CB 0.562 30.897 30.300 0.058 0.000 0.956 177 R HN 0.147 nan 8.270 nan 0.000 0.422 178 H N 3.308 122.388 119.070 0.016 0.000 2.638 178 H HA 0.260 4.816 4.556 0.000 0.000 0.317 178 H C -1.293 174.004 175.328 -0.051 0.000 1.006 178 H CA -0.589 55.475 56.048 0.026 0.000 1.222 178 H CB 1.000 30.784 29.762 0.036 0.000 1.419 178 H HN 0.215 nan 8.280 nan 0.000 0.489 179 V N 4.368 124.201 119.914 -0.135 0.000 2.398 179 V HA 0.275 4.396 4.120 0.000 0.000 0.286 179 V C 0.368 176.469 176.094 0.011 0.000 1.026 179 V CA -0.552 61.694 62.300 -0.089 0.000 0.868 179 V CB 1.467 33.132 31.823 -0.263 0.000 0.982 179 V HN 0.757 nan 8.190 nan 0.000 0.443 180 S N 2.681 118.433 115.700 0.086 0.000 2.536 180 S HA 0.622 5.092 4.470 0.000 0.000 0.298 180 S C 0.399 175.018 174.600 0.032 0.000 1.083 180 S CA 0.101 58.359 58.200 0.097 0.000 0.995 180 S CB 1.868 65.156 63.200 0.146 0.000 1.058 180 S HN 0.994 nan 8.310 nan 0.000 0.488 181 S N 1.768 117.481 115.700 0.022 0.000 2.937 181 S HA 0.203 4.674 4.470 0.000 0.000 0.252 181 S C 0.199 174.799 174.600 -0.000 0.000 1.022 181 S CA -0.326 57.873 58.200 -0.002 0.000 1.079 181 S CB 0.183 63.371 63.200 -0.020 0.000 1.035 181 S HN 0.538 nan 8.310 nan 0.000 0.594 182 S N 2.789 118.499 115.700 0.017 0.000 4.120 182 S HA 0.428 4.898 4.470 0.000 0.000 0.215 182 S C 0.282 174.885 174.600 0.006 0.000 1.347 182 S CA -0.214 57.995 58.200 0.014 0.000 0.889 182 S CB -1.243 61.974 63.200 0.029 0.000 1.585 182 S HN 0.734 nan 8.310 nan 0.000 0.447 183 V N 2.667 122.579 119.914 -0.003 0.000 3.019 183 V HA 0.997 5.118 4.120 0.000 0.000 0.317 183 V C -0.694 175.395 176.094 -0.008 0.000 1.094 183 V CA -1.366 60.930 62.300 -0.006 0.000 1.000 183 V CB 1.896 33.713 31.823 -0.011 0.000 1.060 183 V HN 0.727 nan 8.190 nan 0.000 0.443 184 R N 1.881 122.376 120.500 -0.007 0.000 2.739 184 R HA 0.737 5.077 4.340 0.000 0.000 0.271 184 R C -1.018 175.278 176.300 -0.008 0.000 1.010 184 R CA -0.980 55.115 56.100 -0.007 0.000 0.897 184 R CB 0.617 30.916 30.300 -0.003 0.000 1.236 184 R HN 0.851 nan 8.270 nan 0.000 0.466 185 L N 2.093 123.311 121.223 -0.008 0.000 2.573 185 L HA 0.091 4.431 4.340 0.000 0.000 0.290 185 L C -0.368 176.498 176.870 -0.006 0.000 1.247 185 L CA 0.655 55.490 54.840 -0.008 0.000 0.876 185 L CB -0.199 41.856 42.059 -0.007 0.000 1.123 185 L HN 0.937 nan 8.230 nan 0.000 0.505 186 N N 2.006 120.702 118.700 -0.006 0.000 2.344 186 N HA -0.035 4.705 4.740 0.000 0.000 0.236 186 N C 0.461 175.969 175.510 -0.004 0.000 1.279 186 N CA 0.101 53.148 53.050 -0.005 0.000 0.882 186 N CB 0.238 38.721 38.487 -0.006 0.000 1.110 186 N HN 0.602 nan 8.380 nan 0.000 0.436 187 D N -0.085 120.313 120.400 -0.003 0.000 2.127 187 D HA -0.287 4.353 4.640 0.000 0.000 0.190 187 D C 1.580 177.879 176.300 -0.001 0.000 1.000 187 D CA 1.658 55.656 54.000 -0.002 0.000 0.839 187 D CB -0.523 40.276 40.800 -0.002 0.000 0.955 187 D HN 0.831 nan 8.370 nan 0.000 0.446 188 Q N 0.326 120.124 119.800 -0.002 0.000 2.045 188 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 188 Q C 1.335 177.334 176.000 -0.002 0.000 0.991 188 Q CA 1.943 57.745 55.803 -0.002 0.000 0.851 188 Q CB 0.016 28.753 28.738 -0.002 0.000 0.911 188 Q HN 0.158 nan 8.270 nan 0.000 0.418 189 D N 0.206 120.604 120.400 -0.003 0.000 2.178 189 D HA -0.122 4.518 4.640 0.000 0.000 0.202 189 D C 1.834 178.132 176.300 -0.002 0.000 0.974 189 D CA 0.497 54.495 54.000 -0.003 0.000 0.841 189 D CB -0.141 40.656 40.800 -0.005 0.000 0.953 189 D HN 0.232 nan 8.370 nan 0.000 0.478 190 L N 1.086 122.308 121.223 -0.002 0.000 2.056 190 L HA -0.116 4.224 4.340 0.000 0.000 0.207 190 L C 1.373 178.244 176.870 0.002 0.000 1.078 190 L CA 1.768 56.608 54.840 -0.000 0.000 0.749 190 L CB -0.422 41.637 42.059 -0.000 0.000 0.901 190 L HN -0.154 nan 8.230 nan 0.000 0.433 191 D N -0.306 120.095 120.400 0.002 0.000 2.117 191 D HA -0.176 4.464 4.640 0.000 0.000 0.197 191 D C 2.343 178.645 176.300 0.003 0.000 0.987 191 D CA 1.712 55.714 54.000 0.003 0.000 0.829 191 D CB -0.058 40.744 40.800 0.002 0.000 0.961 191 D HN 0.433 nan 8.370 nan 0.000 0.460 192 I N 0.603 121.174 120.570 0.002 0.000 2.208 192 I HA -0.258 3.912 4.170 0.000 0.000 0.245 192 I C 2.414 178.533 176.117 0.003 0.000 1.097 192 I CA 0.549 61.850 61.300 0.002 0.000 1.363 192 I CB -0.171 37.829 38.000 0.001 0.000 1.051 192 I HN 0.024 nan 8.210 nan 0.000 0.413 193 L N 0.664 121.888 121.223 0.002 0.000 1.994 193 L HA -0.142 4.198 4.340 0.000 0.000 0.208 193 L C 2.438 179.311 176.870 0.006 0.000 1.071 193 L CA 1.796 56.638 54.840 0.003 0.000 0.745 193 L CB -0.601 41.459 42.059 0.001 0.000 0.892 193 L HN -0.033 nan 8.230 nan 0.000 0.431 194 V N 0.042 119.961 119.914 0.007 0.000 2.332 194 V HA -0.344 3.776 4.120 0.000 0.000 0.248 194 V C 2.639 178.740 176.094 0.010 0.000 1.055 194 V CA 2.237 64.543 62.300 0.009 0.000 1.038 194 V CB -0.825 31.003 31.823 0.009 0.000 0.651 194 V HN 0.479 nan 8.190 nan 0.000 0.450 195 K N 0.129 120.534 120.400 0.009 0.000 2.057 195 K HA -0.136 4.184 4.320 0.000 0.000 0.207 195 K C 2.328 178.934 176.600 0.011 0.000 1.049 195 K CA 1.454 57.747 56.287 0.009 0.000 0.931 195 K CB -0.427 32.077 32.500 0.007 0.000 0.714 195 K HN 0.491 nan 8.250 nan 0.000 0.440 196 A N 1.471 124.298 122.820 0.010 0.000 1.902 196 A HA -0.135 4.185 4.320 0.000 0.000 0.217 196 A C 2.115 179.709 177.584 0.016 0.000 1.181 196 A CA 1.254 53.298 52.037 0.012 0.000 0.623 196 A CB -0.580 18.426 19.000 0.010 0.000 0.818 196 A HN 0.151 nan 8.150 nan 0.000 0.443 197 L N -0.495 120.738 121.223 0.016 0.000 2.056 197 L HA -0.164 4.176 4.340 0.000 0.000 0.207 197 L C 2.167 179.050 176.870 0.022 0.000 1.078 197 L CA 1.136 55.988 54.840 0.020 0.000 0.749 197 L CB -0.662 41.408 42.059 0.018 0.000 0.901 197 L HN 0.327 nan 8.230 nan 0.000 0.433 198 N N -0.344 118.367 118.700 0.019 0.000 2.289 198 N HA -0.123 4.617 4.740 0.000 0.000 0.184 198 N C 1.911 177.432 175.510 0.019 0.000 1.016 198 N CA 1.274 54.335 53.050 0.019 0.000 0.872 198 N CB -0.114 38.382 38.487 0.015 0.000 0.973 198 N HN 0.181 nan 8.380 nan 0.000 0.433 199 S N 0.088 115.799 115.700 0.018 0.000 2.501 199 S HA 0.215 4.685 4.470 0.000 0.000 0.220 199 S C 0.854 175.467 174.600 0.021 0.000 0.997 199 S CA -0.213 57.998 58.200 0.017 0.000 0.919 199 S CB 0.054 63.263 63.200 0.014 0.000 0.778 199 S HN 0.425 nan 8.310 nan 0.000 0.523 200 A N 2.246 125.082 122.820 0.026 0.000 2.566 200 A HA 0.233 4.554 4.320 0.000 0.000 0.245 200 A C 1.413 179.019 177.584 0.036 0.000 1.056 200 A CA 0.287 52.345 52.037 0.035 0.000 0.757 200 A CB 0.084 19.110 19.000 0.044 0.000 0.979 200 A HN 0.440 nan 8.150 nan 0.000 0.508 201 S N 1.527 117.247 115.700 0.033 0.000 2.446 201 S HA -0.018 4.452 4.470 0.000 0.000 0.225 201 S C 0.732 175.355 174.600 0.037 0.000 1.016 201 S CA 0.924 59.141 58.200 0.027 0.000 0.943 201 S CB -0.121 63.088 63.200 0.015 0.000 0.786 201 S HN 0.829 nan 8.310 nan 0.000 0.508 202 N N 1.935 120.670 118.700 0.058 0.000 2.697 202 N HA 0.354 5.094 4.740 0.000 0.000 0.253 202 N C -3.204 172.449 175.510 0.239 0.000 1.604 202 N CA -1.738 51.371 53.050 0.098 0.000 0.772 202 N CB 1.283 39.768 38.487 -0.004 0.000 1.267 202 N HN 0.130 nan 8.380 nan 0.000 0.510 203 P HA 0.321 nan 4.420 nan 0.000 0.272 203 P C -1.008 176.354 177.300 0.104 0.000 1.230 203 P CA -0.275 62.908 63.100 0.138 0.000 0.788 203 P CB 1.425 33.167 31.700 0.069 0.000 0.949 204 A N 2.265 125.064 122.820 -0.035 0.000 2.486 204 A HA 0.727 5.047 4.320 0.000 0.000 0.300 204 A C -0.823 176.717 177.584 -0.072 0.000 1.048 204 A CA -0.771 51.150 52.037 -0.193 0.000 0.696 204 A CB 1.113 19.780 19.000 -0.555 0.000 1.278 204 A HN 0.430 nan 8.150 nan 0.000 0.405 205 I N 1.630 122.166 120.570 -0.056 0.000 2.465 205 I HA 0.511 4.681 4.170 0.000 0.000 0.291 205 I C -0.945 175.169 176.117 -0.005 0.000 1.014 205 I CA -1.001 60.272 61.300 -0.045 0.000 1.093 205 I CB 2.143 40.080 38.000 -0.106 0.000 1.267 205 I HN 0.316 nan 8.210 nan 0.000 0.431 206 V N 7.088 127.011 119.914 0.015 0.000 2.444 206 V HA 0.464 4.584 4.120 0.000 0.000 0.294 206 V C -0.175 175.935 176.094 0.027 0.000 1.022 206 V CA -0.506 61.814 62.300 0.033 0.000 0.850 206 V CB 1.836 33.690 31.823 0.052 0.000 0.992 206 V HN 0.471 nan 8.190 nan 0.000 0.426 207 L N 4.060 125.289 121.223 0.010 0.000 2.325 207 L HA 0.868 5.208 4.340 0.000 0.000 0.278 207 L C 0.770 177.675 176.870 0.059 0.000 1.023 207 L CA -0.301 54.561 54.840 0.037 0.000 0.811 207 L CB 1.857 43.942 42.059 0.043 0.000 1.249 207 L HN 0.741 nan 8.230 nan 0.000 0.431 208 G N 0.909 109.754 108.800 0.074 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 -1.979 172.985 174.900 0.106 0.000 1.259 208 G CA -1.024 44.126 45.100 0.083 0.000 1.019 208 G HN 0.421 nan 8.290 nan 0.000 0.496 209 P HA -0.125 nan 4.420 nan 0.000 0.216 209 P C 0.677 178.054 177.300 0.129 0.000 1.150 209 P CA 1.175 64.356 63.100 0.135 0.000 0.837 209 P CB 0.247 32.024 31.700 0.128 0.000 0.786 210 D N -0.358 120.119 120.400 0.129 0.000 2.309 210 D HA -0.077 4.563 4.640 0.000 0.000 0.212 210 D C 2.031 178.381 176.300 0.083 0.000 0.968 210 D CA 0.670 54.739 54.000 0.116 0.000 0.882 210 D CB -0.273 40.591 40.800 0.107 0.000 0.918 210 D HN 0.093 nan 8.370 nan 0.000 0.503 211 V N 1.055 121.021 119.914 0.087 0.000 2.307 211 V HA -0.228 3.892 4.120 0.000 0.000 0.245 211 V C 2.202 178.344 176.094 0.080 0.000 1.045 211 V CA 1.831 64.179 62.300 0.080 0.000 1.024 211 V CB -0.352 31.529 31.823 0.096 0.000 0.651 211 V HN 0.067 nan 8.190 nan 0.000 0.449 212 D N 0.108 120.564 120.400 0.092 0.000 2.144 212 D HA -0.118 4.522 4.640 0.000 0.000 0.199 212 D C 2.089 178.439 176.300 0.083 0.000 0.984 212 D CA 1.378 55.426 54.000 0.080 0.000 0.834 212 D CB -0.116 40.730 40.800 0.077 0.000 0.955 212 D HN 0.362 nan 8.370 nan 0.000 0.465 213 A N 0.289 123.167 122.820 0.097 0.000 1.933 213 A HA 0.053 4.373 4.320 0.000 0.000 0.218 213 A C 2.231 179.854 177.584 0.064 0.000 1.175 213 A CA 1.892 53.987 52.037 0.096 0.000 0.628 213 A CB -0.771 18.292 19.000 0.105 0.000 0.814 213 A HN 0.304 nan 8.150 nan 0.000 0.444 214 A N -1.270 121.582 122.820 0.053 0.000 2.251 214 A HA 0.255 4.575 4.320 0.000 0.000 0.209 214 A C 0.918 178.524 177.584 0.035 0.000 1.187 214 A CA 0.809 52.868 52.037 0.037 0.000 0.823 214 A CB -0.620 18.398 19.000 0.029 0.000 0.846 214 A HN 0.817 nan 8.150 nan 0.000 0.486 215 N N -2.169 116.556 118.700 0.041 0.000 2.740 215 N HA -0.228 4.513 4.740 0.000 0.000 0.248 215 N C 0.419 175.946 175.510 0.028 0.000 1.062 215 N CA 1.015 54.084 53.050 0.032 0.000 0.704 215 N CB -1.344 37.157 38.487 0.024 0.000 0.968 215 N HN 0.548 nan 8.380 nan 0.000 0.547 216 A N -0.685 122.158 122.820 0.038 0.000 2.379 216 A HA 0.213 4.533 4.320 0.000 0.000 0.236 216 A C 1.639 179.252 177.584 0.048 0.000 1.272 216 A CA 0.436 52.496 52.037 0.039 0.000 0.886 216 A CB -0.083 18.943 19.000 0.044 0.000 0.962 216 A HN 0.535 nan 8.150 nan 0.000 0.504 217 N N 1.883 120.607 118.700 0.040 0.000 2.018 217 N HA -0.214 4.526 4.740 0.000 0.000 0.196 217 N C 1.902 177.404 175.510 -0.013 0.000 1.043 217 N CA 2.054 55.122 53.050 0.030 0.000 0.856 217 N CB -0.525 37.953 38.487 -0.015 0.000 1.042 217 N HN 0.450 nan 8.380 nan 0.000 0.423 218 A N 1.176 123.976 122.820 -0.032 0.000 1.873 218 A HA -0.217 4.103 4.320 0.000 0.000 0.218 218 A C 1.786 179.365 177.584 -0.008 0.000 1.193 218 A CA 2.040 54.051 52.037 -0.043 0.000 0.629 218 A CB -0.813 18.170 19.000 -0.028 0.000 0.826 218 A HN 0.204 nan 8.150 nan 0.000 0.447 219 D N -0.677 119.733 120.400 0.017 0.000 2.149 219 D HA -0.124 4.516 4.640 0.000 0.000 0.198 219 D C 1.997 178.334 176.300 0.061 0.000 0.990 219 D CA 1.355 55.375 54.000 0.033 0.000 0.839 219 D CB -0.534 40.285 40.800 0.031 0.000 0.948 219 D HN 0.461 nan 8.370 nan 0.000 0.460 220 C N 0.051 119.408 119.300 0.095 0.000 2.435 220 C HA -0.034 4.426 4.460 0.000 0.000 0.279 220 C C 2.905 178.059 174.990 0.274 0.000 1.321 220 C CA -0.010 59.110 59.018 0.171 0.000 1.752 220 C CB -0.691 27.187 27.740 0.231 0.000 1.959 220 C HN 0.168 nan 8.230 nan 0.000 0.500 221 V N 1.007 121.022 119.914 0.169 0.000 2.295 221 V HA -0.314 3.806 4.120 0.000 0.000 0.246 221 V C 2.383 178.525 176.094 0.081 0.000 1.049 221 V CA 2.449 64.762 62.300 0.022 0.000 1.024 221 V CB -0.673 30.990 31.823 -0.266 0.000 0.648 221 V HN 0.627 nan 8.190 nan 0.000 0.447 222 M N -0.300 119.337 119.600 0.061 0.000 2.065 222 M HA -0.199 4.281 4.480 0.000 0.000 0.259 222 M C 2.073 178.416 176.300 0.072 0.000 1.069 222 M CA 2.142 57.480 55.300 0.063 0.000 1.110 222 M CB -0.427 32.198 32.600 0.042 0.000 1.328 222 M HN 0.290 nan 8.290 nan 0.000 0.405 223 L N 0.902 122.167 121.223 0.070 0.000 2.043 223 L HA -0.157 4.183 4.340 0.000 0.000 0.212 223 L C 2.446 179.351 176.870 0.058 0.000 1.075 223 L CA 2.447 57.321 54.840 0.057 0.000 0.752 223 L CB -1.205 40.884 42.059 0.050 0.000 0.891 223 L HN 0.438 nan 8.230 nan 0.000 0.432 224 A N -1.008 121.858 122.820 0.076 0.000 1.933 224 A HA -0.207 4.113 4.320 0.000 0.000 0.218 224 A C 2.134 179.771 177.584 0.087 0.000 1.175 224 A CA 1.760 53.828 52.037 0.052 0.000 0.628 224 A CB -0.580 18.443 19.000 0.038 0.000 0.814 224 A HN 0.653 nan 8.150 nan 0.000 0.444 225 E N -0.549 119.725 120.200 0.124 0.000 2.107 225 E HA -0.138 4.212 4.350 0.000 0.000 0.191 225 E C 2.265 178.918 176.600 0.087 0.000 0.982 225 E CA 0.685 57.168 56.400 0.139 0.000 0.809 225 E CB -0.143 29.655 29.700 0.163 0.000 0.756 225 E HN 0.416 nan 8.360 nan 0.000 0.459 226 R N 0.771 121.312 120.500 0.068 0.000 2.073 226 R HA -0.071 4.269 4.340 0.000 0.000 0.234 226 R C 2.330 178.657 176.300 0.045 0.000 1.134 226 R CA 0.955 57.085 56.100 0.050 0.000 0.952 226 R CB -0.740 29.584 30.300 0.042 0.000 0.850 226 R HN 0.249 nan 8.270 nan 0.000 0.433 227 L N 1.459 122.708 121.223 0.044 0.000 2.610 227 L HA 0.040 4.380 4.340 0.000 0.000 0.232 227 L C 0.144 177.041 176.870 0.045 0.000 1.149 227 L CA 0.140 55.003 54.840 0.039 0.000 0.872 227 L CB -0.212 41.866 42.059 0.032 0.000 0.992 227 L HN 0.055 nan 8.230 nan 0.000 0.447 228 K N -0.106 120.326 120.400 0.054 0.000 3.071 228 K HA -0.184 4.136 4.320 0.000 0.000 0.262 228 K C -0.005 176.627 176.600 0.053 0.000 0.977 228 K CA 0.874 57.197 56.287 0.060 0.000 0.721 228 K CB -1.882 30.648 32.500 0.051 0.000 1.293 228 K HN 0.365 nan 8.250 nan 0.000 0.475 229 A N 0.951 123.793 122.820 0.037 0.000 2.337 229 A HA 0.725 5.046 4.320 0.000 0.000 0.331 229 A C -2.203 175.350 177.584 -0.052 0.000 1.137 229 A CA -1.475 50.568 52.037 0.010 0.000 0.807 229 A CB 1.199 20.198 19.000 -0.001 0.000 1.250 229 A HN -0.009 nan 8.150 nan 0.000 0.468 230 P HA 0.339 nan 4.420 nan 0.000 0.275 230 P C -0.823 176.263 177.300 -0.357 0.000 1.228 230 P CA -0.027 62.929 63.100 -0.240 0.000 0.786 230 P CB 1.133 32.693 31.700 -0.234 0.000 0.927 231 V N 2.923 122.506 119.914 -0.552 0.000 2.487 231 V HA 0.372 4.492 4.120 0.000 0.000 0.298 231 V C -0.553 175.128 176.094 -0.687 0.000 1.028 231 V CA -0.276 61.676 62.300 -0.579 0.000 0.860 231 V CB 1.248 32.505 31.823 -0.944 0.000 0.991 231 V HN 0.594 nan 8.190 nan 0.000 0.427 232 W N 2.564 123.630 121.300 -0.390 0.000 2.719 232 W HA 0.756 5.417 4.660 0.000 0.000 0.352 232 W C -0.558 175.782 176.519 -0.298 0.000 1.085 232 W CA -0.908 56.182 57.345 -0.425 0.000 1.187 232 W CB 1.516 30.740 29.460 -0.394 0.000 1.417 232 W HN 0.273 nan 8.180 nan 0.000 0.557 233 V N 2.845 122.717 119.914 -0.070 0.000 2.394 233 V HA 0.584 4.704 4.120 0.000 0.000 0.282 233 V C 0.544 176.526 176.094 -0.186 0.000 1.031 233 V CA -1.275 60.960 62.300 -0.109 0.000 0.881 233 V CB 0.441 32.093 31.823 -0.286 0.000 0.982 233 V HN 0.691 nan 8.190 nan 0.000 0.451 234 A N 8.521 131.271 122.820 -0.117 0.000 2.555 234 A HA 0.362 4.682 4.320 0.000 0.000 0.233 234 A C -1.801 175.667 177.584 -0.193 0.000 1.060 234 A CA -0.641 51.307 52.037 -0.149 0.000 0.759 234 A CB -0.420 18.578 19.000 -0.003 0.000 0.995 234 A HN 0.704 nan 8.150 nan 0.000 0.506 235 P HA 0.033 nan 4.420 nan 0.000 0.268 235 P C 0.038 177.289 177.300 -0.081 0.000 1.208 235 P CA 0.727 63.719 63.100 -0.181 0.000 0.777 235 P CB 0.494 32.098 31.700 -0.159 0.000 0.875 236 S N -1.393 114.269 115.700 -0.063 0.000 3.587 236 S HA -0.182 4.288 4.470 0.000 0.000 0.337 236 S C 0.673 175.330 174.600 0.094 0.000 1.119 236 S CA 0.710 58.933 58.200 0.037 0.000 0.976 236 S CB -2.211 61.064 63.200 0.126 0.000 0.922 236 S HN 0.977 nan 8.310 nan 0.000 0.503 237 A N 0.778 123.607 122.820 0.015 0.000 2.563 237 A HA 0.296 4.616 4.320 0.000 0.000 0.256 237 A C -0.603 177.248 177.584 0.445 0.000 1.056 237 A CA -0.120 52.020 52.037 0.171 0.000 0.775 237 A CB 0.069 19.119 19.000 0.083 0.000 0.973 237 A HN 0.323 nan 8.150 nan 0.000 0.516 238 P HA 0.079 nan 4.420 nan 0.000 0.239 238 P C 0.212 177.739 177.300 0.378 0.000 1.188 238 P CA 0.770 64.099 63.100 0.382 0.000 0.794 238 P CB 0.373 32.184 31.700 0.185 0.000 0.937 239 R N -2.649 118.088 120.500 0.394 0.000 2.781 239 R HA 0.546 4.886 4.340 0.000 0.000 0.269 239 R C -1.439 175.119 176.300 0.430 0.000 1.025 239 R CA -0.806 55.471 56.100 0.296 0.000 0.914 239 R CB 1.064 31.427 30.300 0.105 0.000 1.236 239 R HN -0.151 nan 8.270 nan 0.000 0.465 240 C N 2.955 122.423 119.300 0.280 0.000 2.264 240 C HA 0.527 4.987 4.460 0.000 0.000 0.324 240 C C -1.700 173.392 174.990 0.171 0.000 1.267 240 C CA -1.873 57.321 59.018 0.294 0.000 1.618 240 C CB 0.671 28.424 27.740 0.021 0.000 2.278 240 C HN 0.629 nan 8.230 nan 0.000 0.499 241 P HA 0.223 nan 4.420 nan 0.000 0.274 241 P C -0.334 177.115 177.300 0.249 0.000 1.352 241 P CA 0.226 63.436 63.100 0.183 0.000 0.947 241 P CB 0.134 31.943 31.700 0.181 0.000 1.437 242 F N 1.791 121.715 119.950 -0.045 0.000 2.665 242 F HA 0.451 4.978 4.527 0.000 0.000 0.308 242 F C -2.601 173.023 175.800 -0.294 0.000 1.112 242 F CA -2.334 55.585 58.000 -0.135 0.000 0.972 242 F CB 2.170 41.125 39.000 -0.075 0.000 1.295 242 F HN -0.332 nan 8.300 nan 0.000 0.440 243 P HA 0.069 nan 4.420 nan 0.000 0.265 243 P C 0.484 177.527 177.300 -0.428 0.000 1.222 243 P CA 0.162 63.036 63.100 -0.376 0.000 0.767 243 P CB 0.720 32.222 31.700 -0.330 0.000 0.801 244 T N 0.910 115.141 114.554 -0.537 0.000 3.077 244 T HA -0.066 4.284 4.350 0.000 0.000 0.269 244 T C 1.133 175.759 174.700 -0.123 0.000 1.146 244 T CA 0.707 62.366 62.100 -0.736 0.000 1.091 244 T CB -0.354 68.294 68.868 -0.368 0.000 0.892 244 T HN 0.239 nan 8.240 nan 0.000 0.533 245 R N 0.232 120.701 120.500 -0.051 0.000 2.508 245 R HA 0.207 4.547 4.340 0.000 0.000 0.300 245 R C 0.254 176.607 176.300 0.089 0.000 0.970 245 R CA -0.353 55.778 56.100 0.052 0.000 1.102 245 R CB -0.316 29.983 30.300 -0.001 0.000 1.246 245 R HN 0.595 nan 8.270 nan 0.000 0.539 246 H N 3.369 122.456 119.070 0.028 0.000 2.815 246 H HA 0.068 4.624 4.556 0.000 0.000 0.350 246 H C -1.384 174.029 175.328 0.142 0.000 1.080 246 H CA -1.238 54.843 56.048 0.055 0.000 1.433 246 H CB 1.604 31.378 29.762 0.021 0.000 1.432 246 H HN -0.129 nan 8.280 nan 0.000 0.592 247 P HA -0.172 nan 4.420 nan 0.000 0.218 247 P C 1.359 178.800 177.300 0.236 0.000 1.146 247 P CA 1.218 64.351 63.100 0.056 0.000 0.820 247 P CB -0.050 31.595 31.700 -0.092 0.000 0.778 248 C N -2.258 117.397 119.300 0.591 0.000 2.464 248 C HA 0.129 4.589 4.460 0.000 0.000 0.278 248 C C 1.480 176.518 174.990 0.080 0.000 1.375 248 C CA -0.622 58.562 59.018 0.276 0.000 1.761 248 C CB -1.890 25.983 27.740 0.222 0.000 1.944 248 C HN 0.108 nan 8.230 nan 0.000 0.509 249 F N 2.278 122.282 119.950 0.091 0.000 2.623 249 F HA 0.091 4.618 4.527 0.000 0.000 0.383 249 F C 1.295 176.915 175.800 -0.300 0.000 1.077 249 F CA 0.546 58.487 58.000 -0.099 0.000 1.268 249 F CB 0.459 39.539 39.000 0.134 0.000 1.053 249 F HN 0.042 nan 8.300 nan 0.000 0.571 250 R N 3.799 123.540 120.500 -1.265 0.000 2.565 250 R HA 0.305 4.645 4.340 0.000 0.000 0.347 250 R C 0.618 176.126 176.300 -1.320 0.000 1.010 250 R CA 0.353 55.627 56.100 -1.377 0.000 1.126 250 R CB -0.004 28.977 30.300 -2.198 0.000 1.331 250 R HN 0.973 nan 8.270 nan 0.000 0.552 251 G N 1.334 109.007 108.800 -1.878 0.000 2.698 251 G HA2 -0.280 3.681 3.960 0.000 0.000 0.225 251 G HA3 -0.280 3.681 3.960 0.000 0.000 0.225 251 G C -0.924 173.603 174.900 -0.620 0.000 1.345 251 G CA -0.485 43.972 45.100 -1.072 0.000 0.871 251 G HN 0.196 nan 8.290 nan 0.000 0.540 252 L N 0.756 121.684 121.223 -0.493 0.000 2.319 252 L HA 0.697 5.038 4.340 0.000 0.000 0.280 252 L C 1.081 177.753 176.870 -0.331 0.000 1.099 252 L CA -0.230 54.238 54.840 -0.621 0.000 0.828 252 L CB 0.560 41.981 42.059 -1.063 0.000 1.150 252 L HN 0.606 nan 8.230 nan 0.000 0.442 253 M N 7.792 127.216 119.600 -0.294 0.000 2.228 253 M HA 0.271 4.752 4.480 0.000 0.000 0.351 253 M C -1.993 174.143 176.300 -0.273 0.000 1.233 253 M CA -1.509 53.609 55.300 -0.304 0.000 1.129 253 M CB 0.458 32.791 32.600 -0.445 0.000 1.604 253 M HN 0.490 nan 8.290 nan 0.000 0.457 254 P HA 0.104 nan 4.420 nan 0.000 0.275 254 P C -0.732 176.514 177.300 -0.091 0.000 1.227 254 P CA -0.230 62.779 63.100 -0.151 0.000 0.781 254 P CB 0.574 32.199 31.700 -0.125 0.000 0.906 255 A N 2.899 125.716 122.820 -0.006 0.000 2.900 255 A HA 0.433 4.754 4.320 0.000 0.000 0.246 255 A C 0.913 178.650 177.584 0.255 0.000 1.725 255 A CA 0.107 52.229 52.037 0.142 0.000 1.400 255 A CB -1.431 17.706 19.000 0.228 0.000 0.973 255 A HN 0.639 nan 8.150 nan 0.000 0.635 256 G N -0.773 108.132 108.800 0.175 0.000 2.591 256 G HA2 0.490 4.450 3.960 0.000 0.000 0.306 256 G HA3 0.490 4.450 3.960 0.000 0.000 0.306 256 G C 0.641 175.528 174.900 -0.023 0.000 1.334 256 G CA -0.643 44.495 45.100 0.062 0.000 0.981 256 G HN 0.181 nan 8.290 nan 0.000 0.491 257 I N 1.607 121.950 120.570 -0.378 0.000 2.099 257 I HA -0.250 3.920 4.170 0.000 0.000 0.239 257 I C 3.086 179.096 176.117 -0.178 0.000 1.066 257 I CA 1.844 62.869 61.300 -0.457 0.000 1.324 257 I CB -0.137 37.480 38.000 -0.639 0.000 1.037 257 I HN 0.560 nan 8.210 nan 0.000 0.401 258 A N 0.749 123.442 122.820 -0.212 0.000 1.877 258 A HA -0.199 4.121 4.320 0.000 0.000 0.216 258 A C 2.564 180.074 177.584 -0.123 0.000 1.186 258 A CA 2.014 53.955 52.037 -0.160 0.000 0.620 258 A CB -1.034 17.863 19.000 -0.172 0.000 0.822 258 A HN 0.456 nan 8.150 nan 0.000 0.443 259 A N -0.112 122.635 122.820 -0.121 0.000 1.917 259 A HA -0.184 4.136 4.320 0.000 0.000 0.219 259 A C 2.154 179.630 177.584 -0.179 0.000 1.182 259 A CA 1.830 53.789 52.037 -0.129 0.000 0.633 259 A CB -0.658 18.273 19.000 -0.115 0.000 0.819 259 A HN 0.535 nan 8.150 nan 0.000 0.448 260 I N 0.348 120.821 120.570 -0.163 0.000 2.286 260 I HA -0.202 3.968 4.170 0.000 0.000 0.245 260 I C 2.821 178.825 176.117 -0.189 0.000 1.104 260 I CA 1.448 62.595 61.300 -0.255 0.000 1.397 260 I CB -0.296 37.558 38.000 -0.245 0.000 1.072 260 I HN 0.519 nan 8.210 nan 0.000 0.417 261 S N 0.188 115.848 115.700 -0.068 0.000 2.423 261 S HA -0.247 4.223 4.470 0.000 0.000 0.231 261 S C 1.900 176.460 174.600 -0.066 0.000 1.014 261 S CA 0.991 59.175 58.200 -0.026 0.000 0.965 261 S CB -0.326 62.877 63.200 0.006 0.000 0.785 261 S HN 0.343 nan 8.310 nan 0.000 0.495 262 Q N 1.135 120.875 119.800 -0.099 0.000 2.016 262 Q HA 0.086 4.427 4.340 0.000 0.000 0.200 262 Q C 1.980 177.913 176.000 -0.111 0.000 0.978 262 Q CA 1.242 56.990 55.803 -0.092 0.000 0.833 262 Q CB -0.835 27.844 28.738 -0.097 0.000 0.895 262 Q HN 0.457 nan 8.270 nan 0.000 0.427 263 L N -0.156 120.940 121.223 -0.211 0.000 2.042 263 L HA -0.137 4.204 4.340 0.000 0.000 0.210 263 L C 2.006 178.758 176.870 -0.196 0.000 1.076 263 L CA 1.650 56.298 54.840 -0.321 0.000 0.749 263 L CB -0.613 40.998 42.059 -0.746 0.000 0.893 263 L HN 0.313 nan 8.230 nan 0.000 0.432 264 L N -1.045 120.069 121.223 -0.181 0.000 2.554 264 L HA -0.019 4.322 4.340 0.000 0.000 0.226 264 L C 1.007 177.954 176.870 0.128 0.000 1.137 264 L CA -0.181 54.654 54.840 -0.008 0.000 0.863 264 L CB -0.419 41.602 42.059 -0.063 0.000 0.985 264 L HN 0.263 nan 8.230 nan 0.000 0.451 265 E N 0.542 120.768 120.200 0.043 0.000 2.452 265 E HA 0.121 4.471 4.350 0.000 0.000 0.261 265 E C 1.132 177.724 176.600 -0.014 0.000 0.987 265 E CA 0.842 57.253 56.400 0.018 0.000 0.926 265 E CB 0.409 30.101 29.700 -0.013 0.000 0.934 265 E HN 0.292 nan 8.360 nan 0.000 0.452 266 G N 4.071 112.842 108.800 -0.049 0.000 2.234 266 G HA2 -0.219 3.741 3.960 0.000 0.000 0.235 266 G HA3 -0.219 3.741 3.960 0.000 0.000 0.235 266 G C -0.108 174.654 174.900 -0.230 0.000 0.997 266 G CA 0.044 45.055 45.100 -0.148 0.000 0.623 266 G HN 0.709 nan 8.290 nan 0.000 0.514 267 H N 1.853 120.932 119.070 0.016 0.000 2.594 267 H HA 0.261 4.817 4.556 0.000 0.000 0.304 267 H C 1.197 176.536 175.328 0.019 0.000 1.068 267 H CA 0.270 56.333 56.048 0.024 0.000 1.308 267 H CB 1.442 31.225 29.762 0.035 0.000 1.409 267 H HN 0.473 nan 8.280 nan 0.000 0.460 268 D N 2.440 122.901 120.400 0.102 0.000 2.144 268 D HA -0.085 4.555 4.640 0.000 0.000 0.200 268 D C 0.472 176.814 176.300 0.071 0.000 0.978 268 D CA 0.577 54.616 54.000 0.066 0.000 0.833 268 D CB 0.376 41.201 40.800 0.041 0.000 0.961 268 D HN 0.110 nan 8.370 nan 0.000 0.470 269 V N 1.163 121.129 119.914 0.088 0.000 2.525 269 V HA 0.290 4.410 4.120 0.000 0.000 0.299 269 V C -0.504 175.628 176.094 0.063 0.000 1.034 269 V CA -0.976 61.362 62.300 0.063 0.000 0.863 269 V CB 2.472 34.322 31.823 0.046 0.000 0.999 269 V HN -0.069 nan 8.190 nan 0.000 0.423 270 V N 6.105 126.048 119.914 0.048 0.000 2.357 270 V HA 0.447 4.567 4.120 0.000 0.000 0.284 270 V C -0.375 175.735 176.094 0.026 0.000 1.018 270 V CA -0.564 61.755 62.300 0.032 0.000 0.841 270 V CB 1.611 33.463 31.823 0.048 0.000 0.991 270 V HN 0.656 nan 8.190 nan 0.000 0.437 271 L N 7.490 128.723 121.223 0.016 0.000 2.265 271 L HA 0.609 4.949 4.340 0.000 0.000 0.289 271 L C -0.335 176.548 176.870 0.021 0.000 1.033 271 L CA 0.228 55.075 54.840 0.013 0.000 0.814 271 L CB 1.404 43.467 42.059 0.007 0.000 1.203 271 L HN 0.440 nan 8.230 nan 0.000 0.423 272 V N 6.895 126.824 119.914 0.025 0.000 2.398 272 V HA 0.500 4.620 4.120 0.000 0.000 0.286 272 V C 0.148 176.255 176.094 0.021 0.000 1.026 272 V CA -0.426 61.901 62.300 0.045 0.000 0.868 272 V CB 1.441 33.299 31.823 0.058 0.000 0.982 272 V HN 0.599 nan 8.190 nan 0.000 0.443 273 I N 3.178 123.766 120.570 0.031 0.000 2.498 273 I HA 0.583 4.753 4.170 0.000 0.000 0.290 273 I C 1.016 177.157 176.117 0.039 0.000 1.032 273 I CA -0.587 60.729 61.300 0.026 0.000 1.073 273 I CB 1.845 39.862 38.000 0.027 0.000 1.251 273 I HN 0.826 nan 8.210 nan 0.000 0.426 274 G N 4.508 113.327 108.800 0.032 0.000 2.323 274 G HA2 -0.025 3.935 3.960 0.000 0.000 0.292 274 G HA3 -0.025 3.935 3.960 0.000 0.000 0.292 274 G C -0.056 174.885 174.900 0.069 0.000 1.040 274 G CA 0.452 45.581 45.100 0.049 0.000 0.942 274 G HN 1.084 nan 8.290 nan 0.000 0.506 275 A N -0.910 121.943 122.820 0.055 0.000 2.572 275 A HA 0.927 5.247 4.320 0.000 0.000 0.295 275 A C -2.941 174.657 177.584 0.024 0.000 1.072 275 A CA -1.346 50.728 52.037 0.061 0.000 0.691 275 A CB 1.760 20.811 19.000 0.086 0.000 1.291 275 A HN 0.099 nan 8.150 nan 0.000 0.404 276 P HA 0.406 nan 4.420 nan 0.000 0.277 276 P C -0.777 176.449 177.300 -0.122 0.000 1.240 276 P CA -0.254 62.819 63.100 -0.045 0.000 0.798 276 P CB 1.042 32.726 31.700 -0.028 0.000 0.979 277 V N 3.808 123.538 119.914 -0.306 0.000 2.257 277 V HA 0.397 4.517 4.120 0.000 0.000 0.269 277 V C -0.453 175.287 176.094 -0.589 0.000 1.040 277 V CA 0.052 61.880 62.300 -0.786 0.000 0.813 277 V CB -1.178 30.146 31.823 -0.831 0.000 1.065 277 V HN 0.462 nan 8.190 nan 0.000 0.457 278 F N 1.990 121.684 119.950 -0.427 0.000 2.599 278 F HA 0.559 5.086 4.527 0.000 0.000 0.311 278 F C 0.460 175.889 175.800 -0.618 0.000 1.076 278 F CA -1.307 56.348 58.000 -0.574 0.000 0.937 278 F CB 2.195 40.686 39.000 -0.848 0.000 1.282 278 F HN 0.152 nan 8.300 nan 0.000 0.460 279 R N 2.444 122.865 120.500 -0.131 0.000 3.688 279 R HA 0.190 4.530 4.340 0.000 0.000 0.194 279 R C -1.266 175.024 176.300 -0.017 0.000 1.677 279 R CA 0.034 56.098 56.100 -0.060 0.000 1.351 279 R CB -1.127 29.175 30.300 0.003 0.000 1.338 279 R HN 0.435 nan 8.270 nan 0.000 0.731 280 Y N 0.581 120.984 120.300 0.173 0.000 2.335 280 Y HA 0.008 4.558 4.550 0.000 0.000 0.348 280 Y C 1.562 177.598 175.900 0.226 0.000 1.280 280 Y CA 0.180 58.390 58.100 0.183 0.000 1.504 280 Y CB 0.460 39.040 38.460 0.201 0.000 1.366 280 Y HN 0.490 nan 8.280 nan 0.000 0.621 281 H N -0.352 118.919 119.070 0.335 0.000 2.809 281 H HA 0.073 4.629 4.556 0.000 0.000 0.150 281 H C -0.088 175.444 175.328 0.339 0.000 1.073 281 H CA 0.411 56.636 56.048 0.296 0.000 1.099 281 H CB -0.015 29.916 29.762 0.281 0.000 1.078 281 H HN 0.675 nan 8.280 nan 0.000 0.337 282 Q N 1.116 121.211 119.800 0.492 0.000 2.454 282 Q HA -0.042 4.298 4.340 0.000 0.000 0.247 282 Q C -0.798 175.406 176.000 0.340 0.000 1.028 282 Q CA -0.248 55.805 55.803 0.417 0.000 0.910 282 Q CB 0.484 29.375 28.738 0.256 0.000 1.276 282 Q HN 0.456 nan 8.270 nan 0.000 0.489 283 Y N 1.620 122.021 120.300 0.168 0.000 2.585 283 Y HA 0.170 4.720 4.550 0.000 0.000 0.354 283 Y C -0.913 174.997 175.900 0.017 0.000 1.024 283 Y CA -0.722 57.423 58.100 0.075 0.000 1.321 283 Y CB 0.335 38.833 38.460 0.063 0.000 1.151 283 Y HN 0.727 nan 8.280 nan 0.000 0.525 284 D N 8.950 129.138 120.400 -0.352 0.000 2.502 284 D HA 0.265 4.906 4.640 0.000 0.000 0.301 284 D C -2.891 173.105 176.300 -0.507 0.000 1.202 284 D CA -2.199 51.585 54.000 -0.361 0.000 0.878 284 D CB 0.649 41.346 40.800 -0.171 0.000 1.062 284 D HN 0.243 nan 8.370 nan 0.000 0.499 285 P HA 0.329 nan 4.420 nan 0.000 0.265 285 P C 0.435 177.512 177.300 -0.372 0.000 1.187 285 P CA 0.383 63.118 63.100 -0.609 0.000 0.766 285 P CB 1.497 32.814 31.700 -0.638 0.000 0.820 286 G N 1.774 110.371 108.800 -0.338 0.000 2.399 286 G HA2 0.104 4.064 3.960 0.000 0.000 0.256 286 G HA3 0.104 4.064 3.960 0.000 0.000 0.256 286 G C -1.631 173.097 174.900 -0.287 0.000 1.236 286 G CA -0.652 44.294 45.100 -0.256 0.000 0.914 286 G HN 0.471 nan 8.290 nan 0.000 0.482 287 Q N -0.525 119.154 119.800 -0.201 0.000 2.259 287 Q HA 0.453 4.793 4.340 0.000 0.000 0.249 287 Q C 0.290 176.221 176.000 -0.115 0.000 0.914 287 Q CA -0.531 55.173 55.803 -0.165 0.000 0.904 287 Q CB 1.750 30.448 28.738 -0.068 0.000 1.213 287 Q HN 0.567 nan 8.270 nan 0.000 0.428 288 Y N 1.133 121.436 120.300 0.006 0.000 2.242 288 Y HA -0.073 4.477 4.550 0.000 0.000 0.291 288 Y C 0.545 176.497 175.900 0.086 0.000 1.137 288 Y CA 0.519 58.659 58.100 0.067 0.000 1.181 288 Y CB 0.534 39.038 38.460 0.073 0.000 0.989 288 Y HN 0.369 nan 8.280 nan 0.000 0.527 289 L N 0.131 121.472 121.223 0.198 0.000 2.472 289 L HA 0.326 4.666 4.340 0.000 0.000 0.260 289 L C -0.856 176.052 176.870 0.064 0.000 0.963 289 L CA -1.230 53.684 54.840 0.124 0.000 0.829 289 L CB 1.965 44.096 42.059 0.120 0.000 1.348 289 L HN -0.251 nan 8.230 nan 0.000 0.408 290 K N 1.870 122.293 120.400 0.038 0.000 2.237 290 K HA 0.367 4.688 4.320 0.000 0.000 0.270 290 K C -2.371 174.242 176.600 0.021 0.000 1.015 290 K CA -1.697 54.599 56.287 0.016 0.000 0.949 290 K CB 0.622 33.123 32.500 0.002 0.000 0.976 290 K HN 0.194 nan 8.250 nan 0.000 0.472 291 P HA -0.020 nan 4.420 nan 0.000 0.265 291 P C 0.647 177.954 177.300 0.012 0.000 1.187 291 P CA 0.847 63.955 63.100 0.013 0.000 0.766 291 P CB 0.420 32.123 31.700 0.005 0.000 0.820 292 G N 1.155 109.964 108.800 0.015 0.000 2.232 292 G HA2 -0.183 3.777 3.960 0.000 0.000 0.226 292 G HA3 -0.183 3.777 3.960 0.000 0.000 0.226 292 G C 0.197 175.112 174.900 0.026 0.000 0.996 292 G CA -0.037 45.072 45.100 0.014 0.000 0.626 292 G HN 0.620 nan 8.290 nan 0.000 0.509 293 T N 1.486 116.061 114.554 0.036 0.000 2.767 293 T HA 0.615 4.966 4.350 0.000 0.000 0.284 293 T C 0.032 174.760 174.700 0.047 0.000 0.973 293 T CA -0.337 61.794 62.100 0.052 0.000 0.996 293 T CB 1.868 70.776 68.868 0.066 0.000 0.927 293 T HN 0.535 nan 8.240 nan 0.000 0.456 294 R N 3.642 124.169 120.500 0.044 0.000 2.562 294 R HA 0.697 5.037 4.340 0.000 0.000 0.298 294 R C -1.476 174.842 176.300 0.030 0.000 0.961 294 R CA -0.769 55.350 56.100 0.031 0.000 0.881 294 R CB 1.102 31.416 30.300 0.024 0.000 1.159 294 R HN 0.593 nan 8.270 nan 0.000 0.450 295 L N 5.543 126.773 121.223 0.013 0.000 2.346 295 L HA 0.597 4.937 4.340 0.000 0.000 0.276 295 L C -1.324 175.533 176.870 -0.022 0.000 1.006 295 L CA -0.781 54.059 54.840 0.001 0.000 0.817 295 L CB 1.659 43.710 42.059 -0.012 0.000 1.272 295 L HN 0.669 nan 8.230 nan 0.000 0.421 296 I N 3.711 124.270 120.570 -0.019 0.000 2.447 296 I HA 0.314 4.484 4.170 0.000 0.000 0.287 296 I C -0.530 175.565 176.117 -0.036 0.000 1.023 296 I CA -0.325 60.959 61.300 -0.026 0.000 1.083 296 I CB 2.055 40.048 38.000 -0.011 0.000 1.245 296 I HN 0.521 nan 8.210 nan 0.000 0.434 297 S N 5.747 121.413 115.700 -0.056 0.000 2.454 297 S HA 0.637 5.107 4.470 0.000 0.000 0.306 297 S C -0.776 173.798 174.600 -0.043 0.000 1.100 297 S CA -0.473 57.690 58.200 -0.062 0.000 1.087 297 S CB 1.315 64.450 63.200 -0.110 0.000 1.019 297 S HN 0.327 nan 8.310 nan 0.000 0.480 298 V N 4.890 124.787 119.914 -0.028 0.000 2.313 298 V HA 0.547 4.667 4.120 0.000 0.000 0.278 298 V C 0.399 176.480 176.094 -0.021 0.000 1.017 298 V CA -0.465 61.822 62.300 -0.021 0.000 0.823 298 V CB 0.961 32.779 31.823 -0.009 0.000 1.010 298 V HN 0.939 nan 8.190 nan 0.000 0.443 299 T N 3.188 117.724 114.554 -0.030 0.000 2.916 299 T HA 0.288 4.638 4.350 0.000 0.000 0.292 299 T C 0.839 175.509 174.700 -0.050 0.000 1.055 299 T CA -0.092 61.989 62.100 -0.031 0.000 1.009 299 T CB 1.475 70.324 68.868 -0.032 0.000 1.118 299 T HN 0.821 nan 8.240 nan 0.000 0.497 300 C N 1.415 120.668 119.300 -0.078 0.000 2.791 300 C HA 0.493 4.953 4.460 0.000 0.000 0.270 300 C C 0.367 175.256 174.990 -0.169 0.000 1.257 300 C CA -0.527 58.414 59.018 -0.128 0.000 1.699 300 C CB -1.196 26.438 27.740 -0.176 0.000 1.904 300 C HN 0.737 nan 8.230 nan 0.000 0.603 301 D N 1.172 121.497 120.400 -0.126 0.000 2.471 301 D HA 0.362 5.002 4.640 0.000 0.000 0.245 301 D C -1.950 174.326 176.300 -0.040 0.000 1.116 301 D CA -1.758 52.182 54.000 -0.099 0.000 0.853 301 D CB 2.168 42.948 40.800 -0.034 0.000 1.123 301 D HN -0.090 nan 8.370 nan 0.000 0.540 302 P HA -0.076 nan 4.420 nan 0.000 0.216 302 P C 1.748 179.051 177.300 0.005 0.000 1.150 302 P CA 0.796 63.888 63.100 -0.013 0.000 0.837 302 P CB 0.400 32.096 31.700 -0.006 0.000 0.786 303 L N -0.799 120.441 121.223 0.028 0.000 2.131 303 L HA -0.187 4.154 4.340 0.000 0.000 0.210 303 L C 2.343 179.235 176.870 0.037 0.000 1.092 303 L CA 1.514 56.388 54.840 0.056 0.000 0.759 303 L CB -0.695 41.433 42.059 0.116 0.000 0.903 303 L HN 0.074 nan 8.230 nan 0.000 0.435 304 E N -0.052 120.160 120.200 0.021 0.000 2.046 304 E HA -0.154 4.196 4.350 0.000 0.000 0.190 304 E C 2.326 178.902 176.600 -0.040 0.000 0.982 304 E CA 1.002 57.399 56.400 -0.004 0.000 0.800 304 E CB -0.087 29.616 29.700 0.006 0.000 0.756 304 E HN 0.457 nan 8.360 nan 0.000 0.449 305 A N 1.253 124.050 122.820 -0.038 0.000 1.933 305 A HA -0.133 4.187 4.320 0.000 0.000 0.218 305 A C 2.302 179.855 177.584 -0.050 0.000 1.175 305 A CA 1.700 53.705 52.037 -0.054 0.000 0.628 305 A CB -0.534 18.441 19.000 -0.043 0.000 0.814 305 A HN 0.306 nan 8.150 nan 0.000 0.444 306 A N 0.761 123.564 122.820 -0.029 0.000 1.897 306 A HA -0.126 4.194 4.320 0.000 0.000 0.215 306 A C 2.172 179.737 177.584 -0.031 0.000 1.181 306 A CA 1.500 53.524 52.037 -0.022 0.000 0.620 306 A CB -0.434 18.566 19.000 -0.000 0.000 0.821 306 A HN 0.695 nan 8.150 nan 0.000 0.443 307 R N -0.333 120.150 120.500 -0.028 0.000 2.299 307 R HA 0.413 4.753 4.340 0.000 0.000 0.197 307 R C 0.761 177.010 176.300 -0.085 0.000 0.971 307 R CA 0.564 56.644 56.100 -0.034 0.000 1.030 307 R CB -0.552 29.747 30.300 -0.003 0.000 0.932 307 R HN 0.273 nan 8.270 nan 0.000 0.477 308 A N 3.649 126.396 122.820 -0.122 0.000 2.545 308 A HA 0.126 4.446 4.320 0.000 0.000 0.253 308 A C -1.415 176.036 177.584 -0.223 0.000 1.074 308 A CA -1.123 50.791 52.037 -0.205 0.000 0.760 308 A CB 0.144 19.014 19.000 -0.217 0.000 1.005 308 A HN 0.300 nan 8.150 nan 0.000 0.506 309 P HA 0.031 nan 4.420 nan 0.000 0.245 309 P C -0.159 176.922 177.300 -0.364 0.000 1.212 309 P CA 0.754 63.601 63.100 -0.421 0.000 0.774 309 P CB -0.123 31.061 31.700 -0.859 0.000 0.999 310 M N -3.012 116.413 119.600 -0.293 0.000 2.833 310 M HA 0.577 5.057 4.480 0.000 0.000 0.270 310 M C -0.475 175.738 176.300 -0.146 0.000 1.209 310 M CA -0.052 55.146 55.300 -0.171 0.000 0.826 310 M CB 1.049 33.578 32.600 -0.120 0.000 1.657 310 M HN 0.033 nan 8.290 nan 0.000 0.492 311 G N 1.564 110.313 108.800 -0.085 0.000 2.829 311 G HA2 -0.059 3.901 3.960 0.000 0.000 0.628 311 G HA3 -0.059 3.901 3.960 0.000 0.000 0.628 311 G C -1.345 173.513 174.900 -0.070 0.000 1.412 311 G CA -0.102 44.954 45.100 -0.073 0.000 0.864 311 G HN 1.022 nan 8.290 nan 0.000 0.544 312 D N 0.023 120.391 120.400 -0.053 0.000 2.388 312 D HA 0.758 5.398 4.640 0.000 0.000 0.254 312 D C 0.677 176.943 176.300 -0.056 0.000 1.111 312 D CA 0.876 54.849 54.000 -0.046 0.000 0.993 312 D CB 1.650 42.433 40.800 -0.030 0.000 1.118 312 D HN 1.292 nan 8.370 nan 0.000 0.502 313 A N 0.356 123.147 122.820 -0.048 0.000 2.572 313 A HA 0.707 5.027 4.320 0.000 0.000 0.295 313 A C -1.263 176.299 177.584 -0.036 0.000 1.072 313 A CA -0.619 51.388 52.037 -0.050 0.000 0.691 313 A CB 1.253 20.216 19.000 -0.061 0.000 1.291 313 A HN 0.453 nan 8.150 nan 0.000 0.404 314 I N 1.488 122.038 120.570 -0.034 0.000 2.478 314 I HA 0.348 4.518 4.170 0.000 0.000 0.287 314 I C -0.942 175.157 176.117 -0.030 0.000 1.042 314 I CA -0.880 60.404 61.300 -0.027 0.000 1.067 314 I CB 2.131 40.118 38.000 -0.021 0.000 1.233 314 I HN 0.308 nan 8.210 nan 0.000 0.431 315 V N 5.921 125.817 119.914 -0.030 0.000 2.348 315 V HA 0.819 4.939 4.120 0.000 0.000 0.270 315 V C 0.369 176.443 176.094 -0.034 0.000 1.037 315 V CA -0.018 62.261 62.300 -0.035 0.000 0.872 315 V CB 0.567 32.369 31.823 -0.035 0.000 1.002 315 V HN 0.898 nan 8.190 nan 0.000 0.464 316 A N 3.738 126.537 122.820 -0.036 0.000 2.493 316 A HA 0.629 4.949 4.320 0.000 0.000 0.300 316 A C -1.182 176.381 177.584 -0.036 0.000 1.152 316 A CA -0.755 51.263 52.037 -0.032 0.000 0.643 316 A CB 0.966 19.953 19.000 -0.021 0.000 1.316 316 A HN 0.663 nan 8.150 nan 0.000 0.469 317 D N 0.207 120.590 120.400 -0.028 0.000 2.383 317 D HA 0.308 4.948 4.640 0.000 0.000 0.252 317 D C 1.119 177.410 176.300 -0.015 0.000 1.166 317 D CA -0.331 53.654 54.000 -0.026 0.000 0.879 317 D CB 0.339 41.130 40.800 -0.014 0.000 1.164 317 D HN 0.280 nan 8.370 nan 0.000 0.462 318 I N 3.762 124.323 120.570 -0.015 0.000 2.286 318 I HA -0.080 4.090 4.170 0.000 0.000 0.248 318 I C 2.234 178.357 176.117 0.011 0.000 1.115 318 I CA 1.113 62.414 61.300 0.000 0.000 1.392 318 I CB -1.541 36.464 38.000 0.008 0.000 1.065 318 I HN 0.657 nan 8.210 nan 0.000 0.418 319 G N 0.675 109.481 108.800 0.010 0.000 2.414 319 G HA2 -0.166 3.794 3.960 0.000 0.000 0.215 319 G HA3 -0.166 3.794 3.960 0.000 0.000 0.215 319 G C 1.883 176.790 174.900 0.013 0.000 1.188 319 G CA 1.009 46.118 45.100 0.015 0.000 0.783 319 G HN 0.473 nan 8.290 nan 0.000 0.537 320 A N 0.467 123.292 122.820 0.008 0.000 1.883 320 A HA -0.020 4.300 4.320 0.000 0.000 0.217 320 A C 2.464 180.051 177.584 0.006 0.000 1.186 320 A CA 2.127 54.168 52.037 0.006 0.000 0.624 320 A CB -0.358 18.643 19.000 0.003 0.000 0.822 320 A HN 0.300 nan 8.150 nan 0.000 0.444 321 M N -0.530 119.073 119.600 0.005 0.000 2.099 321 M HA -0.083 4.397 4.480 0.000 0.000 0.262 321 M C 2.582 178.889 176.300 0.012 0.000 1.067 321 M CA 1.591 56.894 55.300 0.005 0.000 1.124 321 M CB -1.606 30.995 32.600 0.002 0.000 1.353 321 M HN 0.484 nan 8.290 nan 0.000 0.410 322 A N -0.294 122.536 122.820 0.016 0.000 1.883 322 A HA -0.199 4.121 4.320 0.000 0.000 0.217 322 A C 2.511 180.109 177.584 0.023 0.000 1.186 322 A CA 2.555 54.606 52.037 0.025 0.000 0.624 322 A CB -1.065 17.954 19.000 0.032 0.000 0.822 322 A HN 0.518 nan 8.150 nan 0.000 0.444 323 S N -0.487 115.225 115.700 0.019 0.000 2.348 323 S HA -0.055 4.416 4.470 0.000 0.000 0.221 323 S C 2.244 176.853 174.600 0.014 0.000 1.033 323 S CA 1.797 60.007 58.200 0.016 0.000 1.010 323 S CB -0.639 62.569 63.200 0.013 0.000 0.891 323 S HN 0.931 nan 8.310 nan 0.000 0.442 324 A N 1.677 124.504 122.820 0.012 0.000 1.873 324 A HA -0.050 4.270 4.320 0.000 0.000 0.218 324 A C 2.318 179.909 177.584 0.012 0.000 1.193 324 A CA 1.830 53.873 52.037 0.010 0.000 0.629 324 A CB -1.074 17.930 19.000 0.007 0.000 0.826 324 A HN 0.598 nan 8.150 nan 0.000 0.447 325 L N -0.937 120.294 121.223 0.013 0.000 2.017 325 L HA -0.214 4.126 4.340 0.000 0.000 0.208 325 L C 3.111 179.993 176.870 0.019 0.000 1.073 325 L CA 1.124 55.973 54.840 0.015 0.000 0.745 325 L CB -0.603 41.466 42.059 0.016 0.000 0.894 325 L HN 0.457 nan 8.230 nan 0.000 0.432 326 A N 0.134 122.967 122.820 0.023 0.000 1.978 326 A HA -0.187 4.133 4.320 0.000 0.000 0.220 326 A C 1.828 179.425 177.584 0.022 0.000 1.170 326 A CA 1.820 53.873 52.037 0.027 0.000 0.636 326 A CB -0.453 18.565 19.000 0.029 0.000 0.810 326 A HN 0.510 nan 8.150 nan 0.000 0.448 327 N N -0.885 117.826 118.700 0.018 0.000 2.280 327 N HA 0.189 4.929 4.740 0.000 0.000 0.192 327 N C 1.099 176.617 175.510 0.013 0.000 1.109 327 N CA 0.409 53.468 53.050 0.015 0.000 0.855 327 N CB 0.391 38.886 38.487 0.012 0.000 0.974 327 N HN 0.485 nan 8.380 nan 0.000 0.482 328 L N 0.218 121.449 121.223 0.014 0.000 2.577 328 L HA 0.186 4.527 4.340 0.000 0.000 0.225 328 L C 0.645 177.524 176.870 0.014 0.000 1.053 328 L CA 0.032 54.880 54.840 0.012 0.000 0.866 328 L CB 0.115 42.180 42.059 0.010 0.000 1.132 328 L HN -0.108 nan 8.230 nan 0.000 0.486 329 V N -0.733 119.191 119.914 0.016 0.000 2.872 329 V HA 0.077 4.197 4.120 0.000 0.000 0.307 329 V C 0.173 176.279 176.094 0.019 0.000 1.072 329 V CA -0.733 61.578 62.300 0.018 0.000 1.148 329 V CB 0.247 32.083 31.823 0.021 0.000 0.954 329 V HN 0.193 nan 8.190 nan 0.000 0.490 330 E N 1.658 121.869 120.200 0.018 0.000 2.349 330 E HA 0.285 4.635 4.350 0.000 0.000 0.262 330 E C -0.339 176.274 176.600 0.022 0.000 1.088 330 E CA -0.515 55.896 56.400 0.018 0.000 0.899 330 E CB 0.883 30.592 29.700 0.016 0.000 1.044 330 E HN 0.907 nan 8.360 nan 0.000 0.420 331 E N 1.586 121.799 120.200 0.022 0.000 2.104 331 E HA 0.024 4.375 4.350 0.000 0.000 0.278 331 E C -0.643 175.971 176.600 0.024 0.000 1.127 331 E CA -0.080 56.335 56.400 0.025 0.000 0.897 331 E CB 0.522 30.235 29.700 0.023 0.000 1.043 331 E HN 0.327 nan 8.360 nan 0.000 0.410 332 S N 3.086 118.803 115.700 0.028 0.000 2.568 332 S HA 0.016 4.486 4.470 0.000 0.000 0.282 332 S C 1.060 175.675 174.600 0.024 0.000 1.338 332 S CA 0.156 58.372 58.200 0.026 0.000 1.045 332 S CB 0.537 63.755 63.200 0.031 0.000 0.873 332 S HN 0.660 nan 8.310 nan 0.000 0.516 333 S N 4.065 119.778 115.700 0.021 0.000 2.562 333 S HA 0.167 4.637 4.470 0.000 0.000 0.221 333 S C 0.743 175.355 174.600 0.019 0.000 0.975 333 S CA -0.284 57.927 58.200 0.018 0.000 0.918 333 S CB -0.148 63.061 63.200 0.014 0.000 0.772 333 S HN 0.712 nan 8.310 nan 0.000 0.531 334 R N 1.511 122.024 120.500 0.022 0.000 2.827 334 R HA 0.160 4.500 4.340 0.000 0.000 0.269 334 R C 0.074 176.389 176.300 0.024 0.000 1.048 334 R CA -0.048 56.066 56.100 0.023 0.000 1.173 334 R CB 0.177 30.495 30.300 0.029 0.000 1.070 334 R HN 0.353 nan 8.270 nan 0.000 0.498 335 Q N 1.607 121.420 119.800 0.022 0.000 2.304 335 Q HA 0.065 4.405 4.340 0.000 0.000 0.260 335 Q C -0.242 175.775 176.000 0.029 0.000 0.965 335 Q CA -0.362 55.453 55.803 0.021 0.000 0.898 335 Q CB 0.863 29.610 28.738 0.015 0.000 1.196 335 Q HN 0.283 nan 8.270 nan 0.000 0.402 336 L N 5.173 126.414 121.223 0.031 0.000 2.490 336 L HA 0.143 4.483 4.340 0.000 0.000 0.274 336 L C -2.104 174.788 176.870 0.037 0.000 1.201 336 L CA -0.758 54.108 54.840 0.044 0.000 0.869 336 L CB 0.020 42.105 42.059 0.043 0.000 1.123 336 L HN 0.428 nan 8.230 nan 0.000 0.484 337 P HA 0.054 nan 4.420 nan 0.000 0.267 337 P C -0.983 176.329 177.300 0.020 0.000 1.201 337 P CA 0.030 63.148 63.100 0.029 0.000 0.775 337 P CB 0.277 31.992 31.700 0.025 0.000 0.854 338 T N 1.768 116.324 114.554 0.004 0.000 2.856 338 T HA 0.440 4.790 4.350 0.000 0.000 0.292 338 T C 0.318 175.014 174.700 -0.006 0.000 0.980 338 T CA -0.334 61.764 62.100 -0.003 0.000 1.091 338 T CB 0.574 69.438 68.868 -0.007 0.000 0.936 338 T HN 0.464 nan 8.240 nan 0.000 0.503 339 A N 2.702 125.520 122.820 -0.004 0.000 2.531 339 A HA 0.528 4.848 4.320 0.000 0.000 0.236 339 A C 0.872 178.454 177.584 -0.003 0.000 1.062 339 A CA -0.420 51.622 52.037 0.007 0.000 0.760 339 A CB -0.250 18.751 19.000 0.001 0.000 0.995 339 A HN 1.082 nan 8.150 nan 0.000 0.501 340 A N 3.867 126.685 122.820 -0.003 0.000 2.445 340 A HA 0.542 4.862 4.320 0.000 0.000 0.242 340 A C -1.373 176.209 177.584 -0.002 0.000 1.075 340 A CA -0.871 51.153 52.037 -0.021 0.000 0.777 340 A CB -0.526 18.450 19.000 -0.041 0.000 1.013 340 A HN 0.807 nan 8.150 nan 0.000 0.493 341 P HA 0.160 nan 4.420 nan 0.000 0.274 341 P C -0.479 176.824 177.300 0.005 0.000 1.231 341 P CA -0.357 62.742 63.100 -0.001 0.000 0.790 341 P CB 0.555 32.252 31.700 -0.004 0.000 0.951 342 E N 2.297 122.502 120.200 0.007 0.000 2.413 342 E HA 0.100 4.450 4.350 0.000 0.000 0.263 342 E C -1.533 175.073 176.600 0.010 0.000 1.015 342 E CA -0.946 55.461 56.400 0.011 0.000 0.916 342 E CB -0.290 29.416 29.700 0.010 0.000 0.947 342 E HN 0.443 nan 8.360 nan 0.000 0.440 343 P HA 0.075 nan 4.420 nan 0.000 0.269 343 P C -0.681 176.626 177.300 0.011 0.000 1.215 343 P CA -0.265 62.842 63.100 0.012 0.000 0.780 343 P CB 0.583 32.293 31.700 0.017 0.000 0.898 344 A N 2.673 125.497 122.820 0.007 0.000 2.425 344 A HA 0.137 4.457 4.320 0.000 0.000 0.242 344 A C 0.581 178.169 177.584 0.006 0.000 1.077 344 A CA -0.163 51.876 52.037 0.004 0.000 0.781 344 A CB -0.064 18.934 19.000 -0.002 0.000 1.020 344 A HN 0.525 nan 8.150 nan 0.000 0.494 345 K N 2.656 123.059 120.400 0.005 0.000 2.262 345 K HA 0.363 4.683 4.320 0.000 0.000 0.282 345 K C -0.647 175.948 176.600 -0.010 0.000 1.066 345 K CA -0.130 56.161 56.287 0.006 0.000 0.901 345 K CB 0.434 32.940 32.500 0.010 0.000 1.089 345 K HN 0.438 nan 8.250 nan 0.000 0.476 346 V N 3.700 123.601 119.914 -0.022 0.000 2.811 346 V HA -0.020 4.100 4.120 0.000 0.000 0.302 346 V C 0.495 176.547 176.094 -0.070 0.000 1.063 346 V CA -0.326 61.930 62.300 -0.074 0.000 1.088 346 V CB 0.789 32.530 31.823 -0.137 0.000 0.982 346 V HN 0.712 nan 8.190 nan 0.000 0.485 347 D N 2.869 123.212 120.400 -0.095 0.000 2.455 347 D HA 0.254 4.895 4.640 0.000 0.000 0.241 347 D C -0.062 176.244 176.300 0.010 0.000 1.138 347 D CA 0.353 54.331 54.000 -0.037 0.000 0.877 347 D CB 1.012 41.797 40.800 -0.026 0.000 1.187 347 D HN 0.527 nan 8.370 nan 0.000 0.451 348 Q N 2.233 122.080 119.800 0.079 0.000 2.350 348 Q HA 0.205 4.546 4.340 0.000 0.000 0.255 348 Q C -1.306 174.754 176.000 0.099 0.000 0.951 348 Q CA -0.758 55.139 55.803 0.158 0.000 0.751 348 Q CB 0.976 29.796 28.738 0.136 0.000 1.296 348 Q HN 0.380 nan 8.270 nan 0.000 0.453 349 D N 1.873 122.333 120.400 0.099 0.000 2.376 349 D HA 0.332 4.972 4.640 0.000 0.000 0.268 349 D C 0.313 176.636 176.300 0.038 0.000 1.252 349 D CA 0.006 54.041 54.000 0.057 0.000 1.041 349 D CB 0.389 41.219 40.800 0.050 0.000 1.109 349 D HN 0.432 nan 8.370 nan 0.000 0.552 350 A N -1.137 121.698 122.820 0.025 0.000 2.302 350 A HA 0.466 4.787 4.320 0.000 0.000 0.219 350 A C 0.995 178.583 177.584 0.007 0.000 1.243 350 A CA 0.386 52.433 52.037 0.017 0.000 0.856 350 A CB -1.105 17.904 19.000 0.015 0.000 0.893 350 A HN 0.534 nan 8.150 nan 0.000 0.491 351 G N -0.631 108.170 108.800 0.001 0.000 2.849 351 G HA2 0.435 4.395 3.960 0.000 0.000 0.174 351 G HA3 0.435 4.395 3.960 0.000 0.000 0.174 351 G C -0.031 174.848 174.900 -0.035 0.000 1.370 351 G CA -1.046 44.046 45.100 -0.014 0.000 1.040 351 G HN 0.432 nan 8.290 nan 0.000 0.582 352 R N -0.805 119.661 120.500 -0.055 0.000 2.697 352 R HA 0.134 4.474 4.340 0.000 0.000 0.265 352 R C -0.631 175.588 176.300 -0.135 0.000 1.009 352 R CA -0.054 55.998 56.100 -0.080 0.000 1.099 352 R CB 0.053 30.302 30.300 -0.084 0.000 0.965 352 R HN 0.137 nan 8.270 nan 0.000 0.428 353 L N 2.576 123.730 121.223 -0.115 0.000 2.375 353 L HA 0.211 4.551 4.340 0.000 0.000 0.271 353 L C 0.647 177.417 176.870 -0.167 0.000 1.107 353 L CA -0.121 54.650 54.840 -0.115 0.000 0.806 353 L CB 0.575 42.598 42.059 -0.060 0.000 1.146 353 L HN 0.369 nan 8.230 nan 0.000 0.447 354 H N 2.169 121.230 119.070 -0.015 0.000 2.525 354 H HA 0.155 4.711 4.556 0.000 0.000 0.339 354 H C -1.641 173.663 175.328 -0.039 0.000 1.109 354 H CA -1.601 54.444 56.048 -0.004 0.000 1.352 354 H CB 1.414 31.185 29.762 0.015 0.000 1.461 354 H HN 0.376 nan 8.280 nan 0.000 0.533 355 P HA -0.178 nan 4.420 nan 0.000 0.216 355 P C 1.057 178.339 177.300 -0.030 0.000 1.153 355 P CA 1.400 64.469 63.100 -0.052 0.000 0.858 355 P CB 0.465 32.238 31.700 0.122 0.000 0.789 356 E N -1.083 119.218 120.200 0.168 0.000 2.070 356 E HA -0.171 4.179 4.350 0.000 0.000 0.197 356 E C 2.018 178.691 176.600 0.121 0.000 1.004 356 E CA 1.883 58.406 56.400 0.204 0.000 0.805 356 E CB -1.570 28.204 29.700 0.124 0.000 0.744 356 E HN 0.235 nan 8.360 nan 0.000 0.451 357 T N 0.321 114.922 114.554 0.079 0.000 2.684 357 T HA -0.152 4.199 4.350 0.000 0.000 0.267 357 T C 2.008 176.701 174.700 -0.011 0.000 1.036 357 T CA 1.414 63.543 62.100 0.048 0.000 1.148 357 T CB -0.401 68.507 68.868 0.068 0.000 0.863 357 T HN -0.026 nan 8.240 nan 0.000 0.436 358 V N 0.806 120.648 119.914 -0.120 0.000 2.287 358 V HA -0.166 3.954 4.120 0.000 0.000 0.248 358 V C 2.101 178.082 176.094 -0.187 0.000 1.053 358 V CA 1.789 63.956 62.300 -0.222 0.000 1.027 358 V CB -0.877 30.690 31.823 -0.426 0.000 0.646 358 V HN 0.483 nan 8.190 nan 0.000 0.447 359 F N 0.248 120.209 119.950 0.018 0.000 2.134 359 F HA -0.166 4.361 4.527 0.000 0.000 0.299 359 F C 2.409 178.200 175.800 -0.014 0.000 1.097 359 F CA 1.444 59.433 58.000 -0.018 0.000 1.264 359 F CB -0.448 38.528 39.000 -0.041 0.000 1.001 359 F HN 0.181 nan 8.300 nan 0.000 0.479 360 D N -0.179 120.320 120.400 0.166 0.000 2.097 360 D HA -0.138 4.502 4.640 0.000 0.000 0.195 360 D C 2.261 178.606 176.300 0.075 0.000 0.989 360 D CA 1.815 55.874 54.000 0.099 0.000 0.827 360 D CB -0.802 40.043 40.800 0.075 0.000 0.966 360 D HN 0.165 nan 8.370 nan 0.000 0.456 361 T N 1.086 115.675 114.554 0.058 0.000 2.708 361 T HA -0.075 4.275 4.350 0.000 0.000 0.266 361 T C 2.238 176.979 174.700 0.069 0.000 1.037 361 T CA 0.501 62.630 62.100 0.048 0.000 1.146 361 T CB -0.359 68.524 68.868 0.026 0.000 0.865 361 T HN 0.107 nan 8.240 nan 0.000 0.435 362 L N 1.256 122.534 121.223 0.093 0.000 2.042 362 L HA -0.165 4.175 4.340 0.000 0.000 0.210 362 L C 2.716 179.686 176.870 0.167 0.000 1.076 362 L CA 1.324 56.255 54.840 0.152 0.000 0.749 362 L CB -0.595 41.601 42.059 0.230 0.000 0.893 362 L HN 0.409 nan 8.230 nan 0.000 0.432 363 N N -0.314 118.464 118.700 0.130 0.000 2.166 363 N HA -0.212 4.529 4.740 0.000 0.000 0.186 363 N C 1.267 176.827 175.510 0.082 0.000 1.019 363 N CA 1.495 54.606 53.050 0.101 0.000 0.856 363 N CB 0.112 38.632 38.487 0.055 0.000 0.993 363 N HN 0.336 nan 8.380 nan 0.000 0.426 364 D N 0.307 120.747 120.400 0.067 0.000 2.149 364 D HA -0.079 4.561 4.640 0.000 0.000 0.201 364 D C 1.834 178.162 176.300 0.047 0.000 0.972 364 D CA 1.027 55.056 54.000 0.048 0.000 0.835 364 D CB -0.029 40.795 40.800 0.039 0.000 0.966 364 D HN 0.441 nan 8.370 nan 0.000 0.476 365 M N 0.304 119.937 119.600 0.055 0.000 2.486 365 M HA 0.168 4.648 4.480 0.000 0.000 0.264 365 M C 0.961 177.287 176.300 0.042 0.000 1.125 365 M CA 0.004 55.330 55.300 0.043 0.000 1.144 365 M CB 0.410 33.033 32.600 0.039 0.000 1.353 365 M HN -0.193 nan 8.290 nan 0.000 0.466 366 A N 2.610 125.471 122.820 0.069 0.000 2.407 366 A HA 0.380 4.700 4.320 0.000 0.000 0.248 366 A C -2.062 175.536 177.584 0.024 0.000 1.082 366 A CA -1.203 50.861 52.037 0.045 0.000 0.785 366 A CB -0.662 18.395 19.000 0.096 0.000 1.020 366 A HN 0.127 nan 8.150 nan 0.000 0.489 367 P HA 0.052 nan 4.420 nan 0.000 0.269 367 P C 0.173 177.466 177.300 -0.011 0.000 1.215 367 P CA -0.033 63.057 63.100 -0.017 0.000 0.780 367 P CB 0.532 32.209 31.700 -0.037 0.000 0.898 368 E N 1.309 121.506 120.200 -0.005 0.000 2.265 368 E HA -0.153 4.197 4.350 0.000 0.000 0.196 368 E C 0.833 177.427 176.600 -0.010 0.000 0.996 368 E CA 0.931 57.331 56.400 0.001 0.000 0.832 368 E CB -0.273 29.424 29.700 -0.006 0.000 0.756 368 E HN 0.536 nan 8.360 nan 0.000 0.491 369 N N 0.619 119.302 118.700 -0.028 0.000 2.321 369 N HA 0.141 4.881 4.740 0.000 0.000 0.242 369 N C -0.192 175.277 175.510 -0.068 0.000 1.141 369 N CA -0.122 52.906 53.050 -0.037 0.000 0.864 369 N CB 0.231 38.698 38.487 -0.033 0.000 1.100 369 N HN -0.060 nan 8.380 nan 0.000 0.510 370 A N 0.782 123.537 122.820 -0.108 0.000 2.406 370 A HA 0.482 4.802 4.320 0.000 0.000 0.243 370 A C 0.094 177.513 177.584 -0.274 0.000 1.082 370 A CA -0.168 51.724 52.037 -0.241 0.000 0.786 370 A CB 0.172 18.936 19.000 -0.395 0.000 1.029 370 A HN 0.398 nan 8.150 nan 0.000 0.495 371 I N 1.006 121.389 120.570 -0.312 0.000 2.389 371 I HA 0.326 4.497 4.170 0.000 0.000 0.288 371 I C -1.230 174.741 176.117 -0.243 0.000 0.999 371 I CA -0.244 60.961 61.300 -0.159 0.000 1.129 371 I CB 1.274 39.269 38.000 -0.008 0.000 1.288 371 I HN 0.616 nan 8.210 nan 0.000 0.444 372 Y N 6.058 126.380 120.300 0.037 0.000 2.387 372 Y HA 0.657 5.207 4.550 0.000 0.000 0.330 372 Y C -0.380 175.530 175.900 0.015 0.000 1.133 372 Y CA -0.823 57.298 58.100 0.035 0.000 1.152 372 Y CB 1.505 39.999 38.460 0.057 0.000 1.215 372 Y HN 0.328 nan 8.280 nan 0.000 0.466 373 L N 2.514 123.840 121.223 0.173 0.000 2.386 373 L HA 0.403 4.743 4.340 0.000 0.000 0.271 373 L C -0.646 176.291 176.870 0.112 0.000 0.993 373 L CA -0.509 54.380 54.840 0.082 0.000 0.819 373 L CB 1.987 44.082 42.059 0.059 0.000 1.294 373 L HN 0.671 nan 8.230 nan 0.000 0.414 374 N N 1.926 120.678 118.700 0.086 0.000 2.399 374 N HA 0.332 5.072 4.740 0.000 0.000 0.280 374 N C -0.837 174.887 175.510 0.357 0.000 1.008 374 N CA -0.226 52.978 53.050 0.258 0.000 0.894 374 N CB 1.274 39.961 38.487 0.333 0.000 1.273 374 N HN 0.762 nan 8.380 nan 0.000 0.486 375 E N 2.476 122.853 120.200 0.296 0.000 3.918 375 E HA 0.048 4.398 4.350 0.000 0.000 0.183 375 E C -1.352 175.401 176.600 0.254 0.000 1.021 375 E CA -0.099 56.454 56.400 0.254 0.000 1.431 375 E CB 0.474 30.274 29.700 0.166 0.000 1.140 375 E HN 0.356 nan 8.360 nan 0.000 0.435 376 S N 0.448 116.330 115.700 0.302 0.000 2.217 376 S HA 0.056 4.526 4.470 0.000 0.000 0.168 376 S C 1.416 176.191 174.600 0.291 0.000 1.526 376 S CA 0.103 58.465 58.200 0.270 0.000 1.150 376 S CB 0.089 63.460 63.200 0.285 0.000 1.158 376 S HN 0.465 nan 8.310 nan 0.000 0.473 377 T N 0.329 115.059 114.554 0.294 0.000 2.792 377 T HA -0.201 4.149 4.350 0.000 0.000 0.268 377 T C 1.624 176.453 174.700 0.214 0.000 1.059 377 T CA 2.005 64.286 62.100 0.303 0.000 1.136 377 T CB -0.674 68.363 68.868 0.283 0.000 0.846 377 T HN 0.688 nan 8.240 nan 0.000 0.489 378 S N 0.589 116.396 115.700 0.178 0.000 2.556 378 S HA 0.167 4.637 4.470 0.000 0.000 0.216 378 S C 1.530 176.169 174.600 0.065 0.000 0.970 378 S CA 0.234 58.486 58.200 0.086 0.000 0.912 378 S CB -0.177 63.094 63.200 0.119 0.000 0.790 378 S HN 0.779 nan 8.310 nan 0.000 0.504 379 T N -3.115 111.526 114.554 0.145 0.000 3.145 379 T HA 0.207 4.558 4.350 0.000 0.000 0.281 379 T C 1.226 175.998 174.700 0.120 0.000 1.003 379 T CA 0.257 62.473 62.100 0.194 0.000 0.901 379 T CB -0.246 68.861 68.868 0.397 0.000 1.112 379 T HN 0.146 nan 8.240 nan 0.000 0.535 380 T N 2.381 116.982 114.554 0.078 0.000 2.665 380 T HA -0.095 4.255 4.350 0.000 0.000 0.268 380 T C 2.378 177.092 174.700 0.024 0.000 1.035 380 T CA 1.768 63.900 62.100 0.052 0.000 1.151 380 T CB -0.738 68.135 68.868 0.008 0.000 0.862 380 T HN 0.646 nan 8.240 nan 0.000 0.438 381 A N 1.448 124.248 122.820 -0.034 0.000 1.865 381 A HA -0.203 4.117 4.320 0.000 0.000 0.217 381 A C 2.330 179.889 177.584 -0.042 0.000 1.191 381 A CA 1.845 53.855 52.037 -0.046 0.000 0.623 381 A CB -0.771 18.172 19.000 -0.095 0.000 0.826 381 A HN 0.481 nan 8.150 nan 0.000 0.444 382 Q N -0.944 118.825 119.800 -0.053 0.000 2.124 382 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 382 Q C 2.119 177.943 176.000 -0.293 0.000 0.977 382 Q CA 1.686 57.456 55.803 -0.055 0.000 0.850 382 Q CB -0.483 28.320 28.738 0.108 0.000 0.901 382 Q HN 0.782 nan 8.270 nan 0.000 0.429 383 M N -1.134 118.064 119.600 -0.671 0.000 2.080 383 M HA -0.203 4.277 4.480 0.000 0.000 0.260 383 M C 1.168 177.092 176.300 -0.628 0.000 1.068 383 M CA 1.692 56.233 55.300 -1.266 0.000 1.109 383 M CB -0.171 31.678 32.600 -1.253 0.000 1.342 383 M HN 0.307 nan 8.290 nan 0.000 0.405 384 W N 0.730 121.768 121.300 -0.437 0.000 2.421 384 W HA -0.163 4.497 4.660 0.000 0.000 0.270 384 W C 2.302 178.704 176.519 -0.194 0.000 1.233 384 W CA 1.260 58.410 57.345 -0.325 0.000 1.226 384 W CB -0.038 29.260 29.460 -0.270 0.000 1.121 384 W HN 0.404 nan 8.180 nan 0.000 0.579 385 Q N -0.920 118.894 119.800 0.024 0.000 2.250 385 Q HA 0.017 4.358 4.340 0.000 0.000 0.200 385 Q C 1.816 177.806 176.000 -0.018 0.000 0.941 385 Q CA 0.751 56.572 55.803 0.030 0.000 0.872 385 Q CB -0.018 28.727 28.738 0.011 0.000 0.965 385 Q HN 0.261 nan 8.270 nan 0.000 0.480 386 R N -0.264 120.181 120.500 -0.092 0.000 2.334 386 R HA 0.237 4.577 4.340 0.000 0.000 0.216 386 R C -0.110 176.131 176.300 -0.098 0.000 0.905 386 R CA 0.034 56.101 56.100 -0.055 0.000 1.064 386 R CB 0.562 30.879 30.300 0.029 0.000 1.046 386 R HN 0.056 nan 8.270 nan 0.000 0.508 387 L N 1.477 122.571 121.223 -0.216 0.000 2.305 387 L HA 0.279 4.619 4.340 0.000 0.000 0.284 387 L C -0.385 176.369 176.870 -0.193 0.000 1.013 387 L CA -0.536 54.139 54.840 -0.275 0.000 0.819 387 L CB 1.646 43.351 42.059 -0.591 0.000 1.227 387 L HN 0.123 nan 8.230 nan 0.000 0.417 388 N N 5.182 123.824 118.700 -0.096 0.000 2.439 388 N HA 0.307 5.047 4.740 0.000 0.000 0.243 388 N C -0.815 174.659 175.510 -0.059 0.000 1.088 388 N CA -0.503 52.505 53.050 -0.070 0.000 0.940 388 N CB 0.537 39.007 38.487 -0.029 0.000 1.180 388 N HN 0.572 nan 8.380 nan 0.000 0.505 389 M N 3.645 123.174 119.600 -0.119 0.000 2.080 389 M HA 0.239 4.719 4.480 0.000 0.000 0.350 389 M C 0.957 177.184 176.300 -0.122 0.000 1.143 389 M CA -0.424 54.822 55.300 -0.090 0.000 1.064 389 M CB 1.456 33.970 32.600 -0.144 0.000 1.429 389 M HN 0.444 nan 8.290 nan 0.000 0.418 390 R N 0.559 121.009 120.500 -0.083 0.000 2.127 390 R HA 0.117 4.457 4.340 0.000 0.000 0.217 390 R C 0.403 176.640 176.300 -0.106 0.000 1.074 390 R CA 0.680 56.719 56.100 -0.101 0.000 0.991 390 R CB 0.118 30.376 30.300 -0.070 0.000 0.895 390 R HN 0.629 nan 8.270 nan 0.000 0.450 391 N N 1.160 119.815 118.700 -0.074 0.000 2.485 391 N HA 0.302 5.042 4.740 0.000 0.000 0.280 391 N C -2.593 172.883 175.510 -0.056 0.000 1.205 391 N CA -1.630 51.382 53.050 -0.063 0.000 0.959 391 N CB 0.618 39.081 38.487 -0.040 0.000 1.206 391 N HN -0.220 nan 8.380 nan 0.000 0.545 392 P HA 0.142 nan 4.420 nan 0.000 0.274 392 P C 0.280 177.576 177.300 -0.007 0.000 1.256 392 P CA 0.133 63.221 63.100 -0.022 0.000 0.795 392 P CB 0.256 31.952 31.700 -0.008 0.000 1.038 393 G N 0.442 109.237 108.800 -0.007 0.000 2.395 393 G HA2 -0.253 3.707 3.960 0.000 0.000 0.300 393 G HA3 -0.253 3.707 3.960 0.000 0.000 0.300 393 G C 0.518 175.416 174.900 -0.003 0.000 0.998 393 G CA 0.556 45.664 45.100 0.013 0.000 1.046 393 G HN 0.421 nan 8.290 nan 0.000 0.513 394 S N -1.469 114.188 115.700 -0.073 0.000 2.559 394 S HA 0.372 4.842 4.470 0.000 0.000 0.226 394 S C -0.128 174.501 174.600 0.049 0.000 1.000 394 S CA 0.071 58.273 58.200 0.004 0.000 0.948 394 S CB 0.614 63.825 63.200 0.018 0.000 0.870 394 S HN 0.755 nan 8.310 nan 0.000 0.497 395 Y N 0.708 120.803 120.300 -0.342 0.000 2.479 395 Y HA 0.569 5.119 4.550 0.000 0.000 0.338 395 Y C -2.193 173.392 175.900 -0.525 0.000 1.055 395 Y CA -1.308 56.615 58.100 -0.296 0.000 1.023 395 Y CB 1.055 39.304 38.460 -0.352 0.000 1.287 395 Y HN 0.070 nan 8.280 nan 0.000 0.447 396 Y N 6.416 126.433 120.300 -0.471 0.000 2.433 396 Y HA 0.561 5.111 4.550 0.000 0.000 0.337 396 Y C -1.522 174.258 175.900 -0.199 0.000 1.026 396 Y CA -1.075 56.934 58.100 -0.153 0.000 1.037 396 Y CB 2.143 40.678 38.460 0.124 0.000 1.245 396 Y HN 0.587 nan 8.280 nan 0.000 0.443 397 F N 3.086 123.030 119.950 -0.010 0.000 2.574 397 F HA 0.521 5.048 4.527 0.000 0.000 0.313 397 F C -0.274 175.486 175.800 -0.066 0.000 1.130 397 F CA -1.788 56.236 58.000 0.039 0.000 0.936 397 F CB 0.895 39.974 39.000 0.131 0.000 1.219 397 F HN 0.724 nan 8.300 nan 0.000 0.445 398 C N 4.689 123.491 119.300 -0.831 0.000 2.250 398 C HA 0.354 4.814 4.460 0.000 0.000 0.405 398 C C 1.720 176.316 174.990 -0.657 0.000 1.516 398 C CA -0.035 58.400 59.018 -0.972 0.000 1.412 398 C CB -1.551 25.774 27.740 -0.693 0.000 2.534 398 C HN 1.062 nan 8.230 nan 0.000 0.621 399 A N 3.252 125.792 122.820 -0.466 0.000 2.032 399 A HA 0.129 4.449 4.320 0.000 0.000 0.221 399 A C 2.248 179.765 177.584 -0.112 0.000 1.165 399 A CA 2.043 53.979 52.037 -0.168 0.000 0.645 399 A CB -0.415 18.484 19.000 -0.169 0.000 0.807 399 A HN 1.706 nan 8.150 nan 0.000 0.453 400 A N -2.598 120.115 122.820 -0.179 0.000 2.390 400 A HA 0.471 4.791 4.320 0.000 0.000 0.232 400 A C 1.628 179.129 177.584 -0.137 0.000 1.233 400 A CA 0.974 52.945 52.037 -0.110 0.000 0.907 400 A CB -0.540 18.409 19.000 -0.085 0.000 0.967 400 A HN 1.856 nan 8.150 nan 0.000 0.512 401 G N -0.999 107.677 108.800 -0.208 0.000 2.148 401 G HA2 -0.091 3.869 3.960 0.000 0.000 0.254 401 G HA3 -0.091 3.869 3.960 0.000 0.000 0.254 401 G C 0.681 175.449 174.900 -0.220 0.000 0.981 401 G CA 0.211 45.194 45.100 -0.196 0.000 0.670 401 G HN 1.462 nan 8.290 nan 0.000 0.528 402 G N 0.326 108.985 108.800 -0.235 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 0.545 175.296 174.900 -0.248 0.000 1.128 402 G CA -0.514 44.458 45.100 -0.213 0.000 0.971 402 G HN 0.612 nan 8.290 nan 0.000 0.422 403 L N 1.795 122.791 121.223 -0.378 0.000 2.467 403 L HA 0.422 4.763 4.340 0.000 0.000 0.270 403 L C 1.482 178.138 176.870 -0.357 0.000 1.205 403 L CA 0.818 55.385 54.840 -0.455 0.000 0.828 403 L CB 0.882 42.431 42.059 -0.849 0.000 1.101 403 L HN 0.821 nan 8.230 nan 0.000 0.479 404 G N 1.479 110.229 108.800 -0.083 0.000 2.154 404 G HA2 -0.298 3.662 3.960 0.000 0.000 0.186 404 G HA3 -0.298 3.662 3.960 0.000 0.000 0.186 404 G C 0.095 175.063 174.900 0.113 0.000 1.000 404 G CA 0.231 45.391 45.100 0.100 0.000 0.664 404 G HN 0.645 nan 8.290 nan 0.000 0.513 405 F N 1.389 121.305 119.950 -0.056 0.000 2.222 405 F HA 0.549 5.077 4.527 0.000 0.000 0.285 405 F C 2.515 178.304 175.800 -0.018 0.000 1.068 405 F CA 1.807 59.774 58.000 -0.056 0.000 1.265 405 F CB -0.565 38.367 39.000 -0.114 0.000 1.087 405 F HN 0.243 nan 8.300 nan 0.000 0.511 406 A N 1.549 124.285 122.820 -0.140 0.000 1.884 406 A HA -0.256 4.064 4.320 0.000 0.000 0.219 406 A C 2.332 179.833 177.584 -0.138 0.000 1.197 406 A CA 2.303 54.220 52.037 -0.201 0.000 0.637 406 A CB -1.541 17.499 19.000 0.067 0.000 0.827 406 A HN 0.612 nan 8.150 nan 0.000 0.450 407 L N 0.101 121.340 121.223 0.027 0.000 1.970 407 L HA -0.124 4.216 4.340 0.000 0.000 0.212 407 L C -0.273 176.669 176.870 0.121 0.000 1.071 407 L CA 2.292 57.236 54.840 0.174 0.000 0.751 407 L CB -0.825 41.313 42.059 0.132 0.000 0.889 407 L HN 0.306 nan 8.230 nan 0.000 0.432 408 P HA -0.132 nan 4.420 nan 0.000 0.217 408 P C 1.272 178.484 177.300 -0.148 0.000 1.151 408 P CA 1.900 64.977 63.100 -0.038 0.000 0.828 408 P CB -0.060 31.613 31.700 -0.045 0.000 0.788 409 A N 0.911 123.502 122.820 -0.381 0.000 1.933 409 A HA -0.075 4.245 4.320 0.000 0.000 0.218 409 A C 2.522 179.890 177.584 -0.360 0.000 1.175 409 A CA 2.156 53.861 52.037 -0.553 0.000 0.628 409 A CB -1.574 16.609 19.000 -1.362 0.000 0.814 409 A HN 0.231 nan 8.150 nan 0.000 0.444 410 A N -0.107 122.557 122.820 -0.260 0.000 1.972 410 A HA -0.084 4.237 4.320 0.000 0.000 0.219 410 A C 2.078 179.587 177.584 -0.125 0.000 1.169 410 A CA 1.517 53.443 52.037 -0.185 0.000 0.635 410 A CB -0.576 18.317 19.000 -0.179 0.000 0.810 410 A HN 0.533 nan 8.150 nan 0.000 0.446 411 I N -0.627 119.926 120.570 -0.028 0.000 2.286 411 I HA -0.146 4.024 4.170 0.000 0.000 0.245 411 I C 2.702 178.831 176.117 0.020 0.000 1.104 411 I CA 1.017 62.342 61.300 0.041 0.000 1.397 411 I CB -0.668 37.410 38.000 0.129 0.000 1.072 411 I HN 0.386 nan 8.210 nan 0.000 0.417 412 G N 0.728 109.511 108.800 -0.028 0.000 2.421 412 G HA2 -0.175 3.786 3.960 0.000 0.000 0.216 412 G HA3 -0.175 3.786 3.960 0.000 0.000 0.216 412 G C 1.727 176.660 174.900 0.055 0.000 1.171 412 G CA 0.809 45.921 45.100 0.020 0.000 0.775 412 G HN 0.214 nan 8.290 nan 0.000 0.543 413 V N 0.628 120.486 119.914 -0.094 0.000 2.287 413 V HA -0.236 3.884 4.120 0.000 0.000 0.248 413 V C 2.791 178.863 176.094 -0.036 0.000 1.053 413 V CA 2.313 64.541 62.300 -0.120 0.000 1.027 413 V CB -0.502 31.196 31.823 -0.208 0.000 0.646 413 V HN 0.424 nan 8.190 nan 0.000 0.447 414 Q N -0.199 119.579 119.800 -0.036 0.000 2.124 414 Q HA -0.204 4.136 4.340 0.000 0.000 0.202 414 Q C 1.920 177.943 176.000 0.037 0.000 0.977 414 Q CA 1.810 57.602 55.803 -0.019 0.000 0.850 414 Q CB -0.538 28.172 28.738 -0.045 0.000 0.901 414 Q HN 0.569 nan 8.270 nan 0.000 0.429 415 L N -0.414 120.867 121.223 0.097 0.000 2.141 415 L HA 0.087 4.427 4.340 0.000 0.000 0.209 415 L C 1.887 178.902 176.870 0.241 0.000 1.094 415 L CA 1.925 56.864 54.840 0.164 0.000 0.763 415 L CB -0.670 41.507 42.059 0.197 0.000 0.908 415 L HN 0.222 nan 8.230 nan 0.000 0.437 416 A N -1.623 121.318 122.820 0.203 0.000 1.975 416 A HA 0.056 4.376 4.320 0.000 0.000 0.215 416 A C 1.108 178.681 177.584 -0.019 0.000 1.170 416 A CA 0.645 52.686 52.037 0.007 0.000 0.656 416 A CB -0.118 18.724 19.000 -0.263 0.000 0.821 416 A HN 0.391 nan 8.150 nan 0.000 0.449 417 E N 0.010 120.209 120.200 -0.002 0.000 3.167 417 E HA 0.159 4.509 4.350 0.000 0.000 0.212 417 E C -2.119 174.479 176.600 -0.003 0.000 1.143 417 E CA -1.678 54.716 56.400 -0.010 0.000 1.002 417 E CB 0.850 30.542 29.700 -0.014 0.000 1.315 417 E HN 0.399 nan 8.360 nan 0.000 0.422 418 P HA -0.132 nan 4.420 nan 0.000 0.221 418 P C 0.645 177.941 177.300 -0.006 0.000 1.145 418 P CA 1.002 64.106 63.100 0.007 0.000 0.795 418 P CB 0.613 32.324 31.700 0.018 0.000 0.775 419 E N -0.380 119.814 120.200 -0.010 0.000 2.479 419 E HA 0.090 4.440 4.350 0.000 0.000 0.193 419 E C 0.634 177.219 176.600 -0.025 0.000 1.049 419 E CA 0.206 56.597 56.400 -0.016 0.000 0.870 419 E CB 0.148 29.840 29.700 -0.013 0.000 0.944 419 E HN 0.419 nan 8.360 nan 0.000 0.492 420 R N 1.042 121.523 120.500 -0.032 0.000 2.480 420 R HA 0.251 4.592 4.340 0.000 0.000 0.306 420 R C -0.312 175.946 176.300 -0.070 0.000 0.958 420 R CA -0.836 55.235 56.100 -0.048 0.000 0.861 420 R CB 1.385 31.660 30.300 -0.042 0.000 1.171 420 R HN -0.161 nan 8.270 nan 0.000 0.445 421 Q N 2.403 122.149 119.800 -0.090 0.000 2.262 421 Q HA 0.105 4.445 4.340 0.000 0.000 0.272 421 Q C -0.895 175.003 176.000 -0.170 0.000 1.076 421 Q CA 0.191 55.924 55.803 -0.117 0.000 0.905 421 Q CB 0.862 29.531 28.738 -0.114 0.000 1.182 421 Q HN 0.391 nan 8.270 nan 0.000 0.390 422 V N 6.861 126.675 119.914 -0.166 0.000 2.465 422 V HA 0.409 4.529 4.120 0.000 0.000 0.279 422 V C 0.110 176.059 176.094 -0.242 0.000 1.045 422 V CA -0.422 61.760 62.300 -0.196 0.000 0.938 422 V CB 1.060 32.783 31.823 -0.167 0.000 0.986 422 V HN 0.722 nan 8.190 nan 0.000 0.467 423 I N 4.294 124.713 120.570 -0.250 0.000 2.439 423 I HA 0.595 4.765 4.170 0.000 0.000 0.283 423 I C 0.114 176.202 176.117 -0.048 0.000 1.023 423 I CA -0.513 60.682 61.300 -0.174 0.000 1.100 423 I CB 1.746 39.655 38.000 -0.151 0.000 1.238 423 I HN 0.639 nan 8.210 nan 0.000 0.445 424 A N 6.733 129.500 122.820 -0.088 0.000 2.249 424 A HA 0.664 4.984 4.320 0.000 0.000 0.314 424 A C -0.364 177.290 177.584 0.117 0.000 1.290 424 A CA -0.441 51.609 52.037 0.022 0.000 0.893 424 A CB 0.711 19.694 19.000 -0.028 0.000 1.165 424 A HN 0.460 nan 8.150 nan 0.000 0.530 425 V N 5.150 125.178 119.914 0.189 0.000 2.334 425 V HA 0.310 4.430 4.120 0.000 0.000 0.267 425 V C -0.118 176.091 176.094 0.193 0.000 1.040 425 V CA 0.189 62.609 62.300 0.201 0.000 0.866 425 V CB 0.002 32.008 31.823 0.306 0.000 1.019 425 V HN 0.701 nan 8.190 nan 0.000 0.468 426 I N 3.652 124.309 120.570 0.146 0.000 2.509 426 I HA 0.578 4.748 4.170 0.000 0.000 0.293 426 I C 0.977 177.142 176.117 0.079 0.000 1.020 426 I CA -0.551 60.831 61.300 0.137 0.000 1.088 426 I CB 1.953 40.039 38.000 0.143 0.000 1.267 426 I HN 0.635 nan 8.210 nan 0.000 0.430 427 G N 2.866 111.741 108.800 0.124 0.000 2.544 427 G HA2 0.043 4.003 3.960 0.000 0.000 0.242 427 G HA3 0.043 4.003 3.960 0.000 0.000 0.242 427 G C 0.860 175.791 174.900 0.052 0.000 1.247 427 G CA -0.290 44.874 45.100 0.106 0.000 0.840 427 G HN 0.852 nan 8.290 nan 0.000 0.578 428 D N 0.796 121.193 120.400 -0.005 0.000 2.218 428 D HA -0.112 4.528 4.640 0.000 0.000 0.204 428 D C 2.016 178.489 176.300 0.288 0.000 0.976 428 D CA 1.336 55.308 54.000 -0.046 0.000 0.853 428 D CB -0.565 40.278 40.800 0.071 0.000 0.939 428 D HN 0.459 nan 8.370 nan 0.000 0.481 429 G N 0.348 109.342 108.800 0.324 0.000 2.395 429 G HA2 -0.171 3.789 3.960 0.000 0.000 0.214 429 G HA3 -0.171 3.789 3.960 0.000 0.000 0.214 429 G C 1.860 177.092 174.900 0.554 0.000 1.177 429 G CA 0.730 46.127 45.100 0.494 0.000 0.794 429 G HN 0.322 nan 8.290 nan 0.000 0.532 430 S N 1.221 117.208 115.700 0.479 0.000 2.383 430 S HA -0.058 4.412 4.470 0.000 0.000 0.229 430 S C 2.745 177.615 174.600 0.451 0.000 1.030 430 S CA 1.154 59.640 58.200 0.477 0.000 1.002 430 S CB -0.376 62.977 63.200 0.255 0.000 0.829 430 S HN 0.571 nan 8.310 nan 0.000 0.467 431 A N 2.555 125.561 122.820 0.310 0.000 2.032 431 A HA -0.188 4.132 4.320 0.000 0.000 0.221 431 A C 1.884 179.647 177.584 0.297 0.000 1.165 431 A CA 1.509 53.704 52.037 0.263 0.000 0.645 431 A CB -0.563 18.546 19.000 0.181 0.000 0.807 431 A HN 0.515 nan 8.150 nan 0.000 0.453 432 N N -1.220 117.658 118.700 0.297 0.000 2.216 432 N HA -0.137 4.603 4.740 0.000 0.000 0.183 432 N C 1.515 177.072 175.510 0.079 0.000 1.017 432 N CA 1.497 54.634 53.050 0.145 0.000 0.861 432 N CB -0.519 37.985 38.487 0.028 0.000 0.986 432 N HN 0.642 nan 8.380 nan 0.000 0.428 433 Y N 1.561 121.939 120.300 0.131 0.000 2.102 433 Y HA -0.136 4.414 4.550 0.000 0.000 0.280 433 Y C 1.661 177.604 175.900 0.072 0.000 1.178 433 Y CA 1.186 59.343 58.100 0.094 0.000 1.146 433 Y CB -0.258 38.253 38.460 0.085 0.000 0.968 433 Y HN -0.049 nan 8.280 nan 0.000 0.504 434 S N -0.794 115.043 115.700 0.228 0.000 2.661 434 S HA 0.141 4.611 4.470 0.000 0.000 0.245 434 S C 1.183 175.828 174.600 0.075 0.000 1.117 434 S CA -0.337 57.938 58.200 0.124 0.000 1.091 434 S CB -0.087 63.176 63.200 0.104 0.000 0.887 434 S HN 0.236 nan 8.310 nan 0.000 0.491 435 I N 2.969 123.596 120.570 0.095 0.000 2.248 435 I HA -0.224 3.946 4.170 0.000 0.000 0.248 435 I C 2.338 178.457 176.117 0.003 0.000 1.107 435 I CA 1.848 63.203 61.300 0.091 0.000 1.373 435 I CB -0.322 37.772 38.000 0.156 0.000 1.055 435 I HN 0.470 nan 8.210 nan 0.000 0.418 436 S N 0.542 116.200 115.700 -0.069 0.000 2.500 436 S HA -0.055 4.415 4.470 0.000 0.000 0.239 436 S C 2.175 176.547 174.600 -0.380 0.000 0.989 436 S CA 0.653 58.596 58.200 -0.428 0.000 0.951 436 S CB -0.954 62.088 63.200 -0.263 0.000 0.759 436 S HN 0.513 nan 8.310 nan 0.000 0.523 437 A N 2.266 124.997 122.820 -0.148 0.000 1.978 437 A HA 0.072 4.392 4.320 0.000 0.000 0.220 437 A C 2.184 179.733 177.584 -0.058 0.000 1.170 437 A CA 1.332 53.337 52.037 -0.053 0.000 0.636 437 A CB -0.883 18.114 19.000 -0.005 0.000 0.810 437 A HN 0.570 nan 8.150 nan 0.000 0.448 438 L N -2.549 118.576 121.223 -0.163 0.000 2.051 438 L HA -0.282 4.058 4.340 0.000 0.000 0.214 438 L C 2.463 179.331 176.870 -0.004 0.000 1.076 438 L CA 1.980 56.727 54.840 -0.156 0.000 0.758 438 L CB -0.562 41.424 42.059 -0.122 0.000 0.890 438 L HN 0.763 nan 8.230 nan 0.000 0.433 439 W N 0.948 122.083 121.300 -0.275 0.000 2.321 439 W HA -0.262 4.398 4.660 0.000 0.000 0.306 439 W C 2.595 179.101 176.519 -0.023 0.000 1.217 439 W CA 2.362 59.626 57.345 -0.134 0.000 1.257 439 W CB -0.425 28.870 29.460 -0.276 0.000 1.145 439 W HN 0.002 nan 8.180 nan 0.000 0.509 440 T N 0.336 114.990 114.554 0.166 0.000 2.788 440 T HA -0.205 4.145 4.350 0.000 0.000 0.268 440 T C 1.932 176.692 174.700 0.101 0.000 1.044 440 T CA 1.942 64.137 62.100 0.159 0.000 1.139 440 T CB -0.906 68.135 68.868 0.289 0.000 0.867 440 T HN 0.265 nan 8.240 nan 0.000 0.454 441 A N 1.423 124.300 122.820 0.095 0.000 1.902 441 A HA 0.144 4.464 4.320 0.000 0.000 0.217 441 A C 2.634 180.231 177.584 0.022 0.000 1.181 441 A CA 1.858 53.970 52.037 0.125 0.000 0.623 441 A CB -1.103 18.044 19.000 0.244 0.000 0.818 441 A HN 0.509 nan 8.150 nan 0.000 0.443 442 A N -1.230 121.542 122.820 -0.081 0.000 1.855 442 A HA -0.172 4.148 4.320 0.000 0.000 0.215 442 A C 2.146 179.545 177.584 -0.308 0.000 1.191 442 A CA 1.652 53.595 52.037 -0.157 0.000 0.613 442 A CB -0.566 18.333 19.000 -0.167 0.000 0.829 442 A HN 0.464 nan 8.150 nan 0.000 0.442 443 Q N -1.016 118.417 119.800 -0.611 0.000 2.077 443 Q HA -0.187 4.153 4.340 0.000 0.000 0.206 443 Q C 1.260 176.853 176.000 -0.679 0.000 0.989 443 Q CA 1.748 57.045 55.803 -0.844 0.000 0.853 443 Q CB -0.435 27.417 28.738 -1.475 0.000 0.907 443 Q HN 0.868 nan 8.270 nan 0.000 0.418 444 Y N -0.038 120.139 120.300 -0.206 0.000 2.493 444 Y HA 0.132 4.682 4.550 0.000 0.000 0.275 444 Y C 0.342 176.200 175.900 -0.071 0.000 1.183 444 Y CA -0.394 57.639 58.100 -0.111 0.000 1.258 444 Y CB -0.343 38.069 38.460 -0.080 0.000 1.108 444 Y HN 0.163 nan 8.280 nan 0.000 0.521 445 N N 1.439 120.138 118.700 -0.000 0.000 2.686 445 N HA -0.230 4.510 4.740 0.000 0.000 0.261 445 N C -1.119 174.421 175.510 0.051 0.000 1.001 445 N CA 0.291 53.348 53.050 0.012 0.000 0.764 445 N CB -1.096 37.389 38.487 -0.004 0.000 0.898 445 N HN 0.406 nan 8.380 nan 0.000 0.544 446 I N 1.542 122.157 120.570 0.076 0.000 2.287 446 I HA 0.204 4.374 4.170 0.000 0.000 0.290 446 I C -1.272 174.878 176.117 0.056 0.000 1.069 446 I CA -2.025 59.318 61.300 0.071 0.000 1.237 446 I CB 1.175 39.231 38.000 0.095 0.000 1.418 446 I HN 0.133 nan 8.210 nan 0.000 0.481 447 P HA -0.069 nan 4.420 nan 0.000 0.311 447 P C 0.143 177.412 177.300 -0.052 0.000 1.543 447 P CA 0.229 63.330 63.100 0.002 0.000 0.766 447 P CB -0.706 30.990 31.700 -0.007 0.000 1.711 448 T N 1.277 115.780 114.554 -0.085 0.000 2.918 448 T HA 0.247 4.597 4.350 0.000 0.000 0.302 448 T C 0.759 175.208 174.700 -0.418 0.000 1.045 448 T CA 0.240 62.153 62.100 -0.312 0.000 1.114 448 T CB 0.681 69.251 68.868 -0.497 0.000 0.965 448 T HN 0.064 nan 8.240 nan 0.000 0.540 449 I N 3.203 123.493 120.570 -0.466 0.000 2.339 449 I HA 0.349 4.519 4.170 0.000 0.000 0.290 449 I C -0.867 174.991 176.117 -0.431 0.000 0.994 449 I CA -0.648 60.476 61.300 -0.293 0.000 1.191 449 I CB 0.927 38.847 38.000 -0.133 0.000 1.343 449 I HN 0.511 nan 8.210 nan 0.000 0.458 450 F N 5.974 125.941 119.950 0.027 0.000 2.361 450 F HA 0.372 4.899 4.527 0.000 0.000 0.364 450 F C 0.098 175.910 175.800 0.021 0.000 1.117 450 F CA -0.867 57.151 58.000 0.030 0.000 1.071 450 F CB 1.263 40.286 39.000 0.038 0.000 1.188 450 F HN 0.019 nan 8.300 nan 0.000 0.464 451 V N 5.669 125.670 119.914 0.146 0.000 2.304 451 V HA 0.252 4.373 4.120 0.000 0.000 0.269 451 V C 0.115 176.234 176.094 0.042 0.000 1.036 451 V CA -0.557 61.791 62.300 0.079 0.000 0.840 451 V CB 0.491 32.348 31.823 0.057 0.000 1.036 451 V HN 0.422 nan 8.190 nan 0.000 0.466 452 I N 6.041 126.597 120.570 -0.024 0.000 2.337 452 I HA 0.278 4.448 4.170 0.000 0.000 0.291 452 I C 0.320 176.346 176.117 -0.152 0.000 1.046 452 I CA -0.254 60.949 61.300 -0.162 0.000 1.324 452 I CB 1.142 38.880 38.000 -0.437 0.000 1.409 452 I HN 0.438 nan 8.210 nan 0.000 0.494 453 M N 5.878 125.418 119.600 -0.100 0.000 2.264 453 M HA 0.138 4.618 4.480 0.000 0.000 0.340 453 M C 0.181 176.440 176.300 -0.068 0.000 1.420 453 M CA -0.013 55.249 55.300 -0.065 0.000 1.254 453 M CB -0.534 32.059 32.600 -0.012 0.000 1.575 453 M HN 0.359 nan 8.290 nan 0.000 0.452 454 N N 3.849 122.511 118.700 -0.063 0.000 2.485 454 N HA 0.165 4.905 4.740 0.000 0.000 0.243 454 N C -0.126 175.405 175.510 0.035 0.000 0.987 454 N CA -0.083 52.962 53.050 -0.009 0.000 0.940 454 N CB 0.481 38.988 38.487 0.034 0.000 1.122 454 N HN 0.500 nan 8.380 nan 0.000 0.509 455 N N 2.028 120.761 118.700 0.055 0.000 2.197 455 N HA 0.161 4.901 4.740 0.000 0.000 0.228 455 N C 0.883 176.432 175.510 0.064 0.000 1.212 455 N CA 0.053 53.136 53.050 0.055 0.000 0.883 455 N CB 0.039 38.563 38.487 0.062 0.000 1.107 455 N HN 0.457 nan 8.380 nan 0.000 0.519 456 G N -0.898 107.948 108.800 0.078 0.000 2.233 456 G HA2 -0.263 3.697 3.960 0.000 0.000 0.270 456 G HA3 -0.263 3.697 3.960 0.000 0.000 0.270 456 G C -0.011 174.900 174.900 0.018 0.000 1.011 456 G CA 1.061 46.197 45.100 0.058 0.000 0.762 456 G HN 0.806 nan 8.290 nan 0.000 0.511 457 T N -1.975 112.601 114.554 0.037 0.000 2.802 457 T HA 0.499 4.850 4.350 0.000 0.000 0.311 457 T C -0.574 174.202 174.700 0.127 0.000 1.405 457 T CA -0.632 61.479 62.100 0.018 0.000 1.016 457 T CB 0.891 69.802 68.868 0.072 0.000 1.352 457 T HN 0.241 nan 8.240 nan 0.000 0.498 458 Y N 2.597 122.985 120.300 0.148 0.000 2.623 458 Y HA 0.235 4.785 4.550 0.000 0.000 0.341 458 Y C 1.885 177.897 175.900 0.188 0.000 1.292 458 Y CA -0.531 57.673 58.100 0.175 0.000 1.840 458 Y CB 0.026 38.590 38.460 0.174 0.000 1.865 458 Y HN 0.959 nan 8.280 nan 0.000 0.440 459 G N 1.534 110.528 108.800 0.324 0.000 2.599 459 G HA2 -0.427 3.534 3.960 0.000 0.000 0.219 459 G HA3 -0.427 3.534 3.960 0.000 0.000 0.219 459 G C 1.836 176.925 174.900 0.315 0.000 1.193 459 G CA 1.172 46.434 45.100 0.270 0.000 0.778 459 G HN 0.652 nan 8.290 nan 0.000 0.589 460 A N 0.456 123.468 122.820 0.321 0.000 1.917 460 A HA -0.031 4.289 4.320 0.000 0.000 0.219 460 A C 2.501 180.417 177.584 0.554 0.000 1.182 460 A CA 1.703 53.975 52.037 0.392 0.000 0.633 460 A CB -0.452 18.765 19.000 0.362 0.000 0.819 460 A HN 0.403 nan 8.150 nan 0.000 0.448 461 L N -1.488 119.994 121.223 0.432 0.000 2.083 461 L HA -0.174 4.166 4.340 0.000 0.000 0.209 461 L C 2.826 179.918 176.870 0.369 0.000 1.083 461 L CA 1.451 56.527 54.840 0.395 0.000 0.752 461 L CB -0.569 41.653 42.059 0.271 0.000 0.899 461 L HN 0.381 nan 8.230 nan 0.000 0.433 462 R N -0.965 119.731 120.500 0.327 0.000 2.120 462 R HA -0.223 4.117 4.340 0.000 0.000 0.234 462 R C 2.079 178.527 176.300 0.246 0.000 1.123 462 R CA 1.780 58.029 56.100 0.247 0.000 0.975 462 R CB -0.356 30.074 30.300 0.217 0.000 0.866 462 R HN 0.415 nan 8.270 nan 0.000 0.446 463 W N 0.570 121.952 121.300 0.137 0.000 2.378 463 W HA -0.133 4.527 4.660 0.000 0.000 0.313 463 W C 1.545 178.072 176.519 0.015 0.000 1.197 463 W CA 1.246 58.617 57.345 0.043 0.000 1.304 463 W CB -0.572 28.877 29.460 -0.018 0.000 1.148 463 W HN -0.100 nan 8.180 nan 0.000 0.494 464 F N 0.885 120.912 119.950 0.128 0.000 2.161 464 F HA -0.199 4.328 4.527 0.000 0.000 0.300 464 F C 2.573 178.286 175.800 -0.146 0.000 1.089 464 F CA 2.077 60.020 58.000 -0.095 0.000 1.282 464 F CB -1.232 37.840 39.000 0.121 0.000 1.010 464 F HN 0.004 nan 8.300 nan 0.000 0.485 465 A N 0.263 123.165 122.820 0.136 0.000 1.917 465 A HA -0.153 4.167 4.320 0.000 0.000 0.219 465 A C 2.561 180.119 177.584 -0.044 0.000 1.182 465 A CA 1.964 54.038 52.037 0.063 0.000 0.633 465 A CB -1.607 17.446 19.000 0.089 0.000 0.819 465 A HN 0.417 nan 8.150 nan 0.000 0.448 466 G N -0.228 108.489 108.800 -0.139 0.000 2.433 466 G HA2 -0.144 3.817 3.960 0.000 0.000 0.216 466 G HA3 -0.144 3.817 3.960 0.000 0.000 0.216 466 G C 1.676 176.422 174.900 -0.256 0.000 1.186 466 G CA 2.195 47.177 45.100 -0.197 0.000 0.779 466 G HN 1.049 nan 8.290 nan 0.000 0.543 467 V N -0.629 119.017 119.914 -0.447 0.000 2.343 467 V HA 0.016 4.137 4.120 0.000 0.000 0.247 467 V C 2.631 178.620 176.094 -0.174 0.000 1.051 467 V CA 1.554 63.622 62.300 -0.387 0.000 1.036 467 V CB -0.612 30.830 31.823 -0.635 0.000 0.654 467 V HN 0.267 nan 8.190 nan 0.000 0.451 468 L N 0.196 121.358 121.223 -0.101 0.000 2.610 468 L HA 0.154 4.494 4.340 0.000 0.000 0.232 468 L C 0.941 177.800 176.870 -0.020 0.000 1.149 468 L CA 0.594 55.427 54.840 -0.012 0.000 0.872 468 L CB -0.960 41.131 42.059 0.054 0.000 0.992 468 L HN 0.509 nan 8.230 nan 0.000 0.447 469 E N -0.246 119.925 120.200 -0.048 0.000 2.222 469 E HA -0.209 4.141 4.350 0.000 0.000 0.189 469 E C -0.030 176.564 176.600 -0.009 0.000 1.415 469 E CA 0.222 56.602 56.400 -0.033 0.000 0.689 469 E CB -1.107 28.576 29.700 -0.029 0.000 1.107 469 E HN 0.449 nan 8.360 nan 0.000 0.350 470 A N 2.065 124.886 122.820 0.002 0.000 2.331 470 A HA 0.574 4.894 4.320 0.000 0.000 0.320 470 A C -0.083 177.514 177.584 0.022 0.000 1.138 470 A CA -0.612 51.435 52.037 0.017 0.000 0.790 470 A CB 1.092 20.112 19.000 0.033 0.000 1.206 470 A HN 0.245 nan 8.150 nan 0.000 0.470 471 E N 1.370 121.583 120.200 0.021 0.000 2.299 471 E HA 0.399 4.749 4.350 0.000 0.000 0.265 471 E C -0.716 175.901 176.600 0.028 0.000 0.911 471 E CA -1.210 55.205 56.400 0.024 0.000 0.789 471 E CB 1.145 30.856 29.700 0.017 0.000 1.246 471 E HN 0.669 nan 8.360 nan 0.000 0.427 472 N N -0.262 118.457 118.700 0.031 0.000 2.754 472 N HA -0.143 4.597 4.740 0.000 0.000 0.248 472 N C -0.933 174.600 175.510 0.038 0.000 1.093 472 N CA 0.410 53.478 53.050 0.031 0.000 0.699 472 N CB -1.267 37.234 38.487 0.024 0.000 1.016 472 N HN 0.147 nan 8.380 nan 0.000 0.552 473 V N 2.106 122.049 119.914 0.048 0.000 2.432 473 V HA 0.296 4.417 4.120 0.000 0.000 0.271 473 V C -0.807 175.327 176.094 0.067 0.000 1.046 473 V CA -0.861 61.474 62.300 0.059 0.000 0.945 473 V CB 1.252 33.119 31.823 0.073 0.000 0.992 473 V HN 0.136 nan 8.190 nan 0.000 0.471 474 P HA 0.300 nan 4.420 nan 0.000 0.277 474 P C 0.651 178.006 177.300 0.091 0.000 1.271 474 P CA 0.231 63.369 63.100 0.064 0.000 0.795 474 P CB 0.785 32.515 31.700 0.051 0.000 1.101 475 G N -0.020 108.831 108.800 0.085 0.000 2.341 475 G HA2 -0.236 3.724 3.960 0.000 0.000 0.292 475 G HA3 -0.236 3.724 3.960 0.000 0.000 0.292 475 G C 0.521 175.533 174.900 0.187 0.000 1.021 475 G CA 0.481 45.651 45.100 0.116 0.000 0.905 475 G HN 0.482 nan 8.290 nan 0.000 0.508 476 L N -1.099 120.211 121.223 0.145 0.000 2.554 476 L HA 0.259 4.599 4.340 0.000 0.000 0.225 476 L C 0.344 177.229 176.870 0.026 0.000 1.104 476 L CA 0.052 55.017 54.840 0.208 0.000 0.866 476 L CB 0.104 42.276 42.059 0.189 0.000 1.047 476 L HN 0.128 nan 8.230 nan 0.000 0.468 477 D N 0.498 120.863 120.400 -0.059 0.000 2.248 477 D HA 0.332 4.972 4.640 0.000 0.000 0.246 477 D C -0.039 176.131 176.300 -0.217 0.000 1.027 477 D CA -0.078 53.848 54.000 -0.122 0.000 0.853 477 D CB 3.062 43.839 40.800 -0.038 0.000 1.243 477 D HN -0.197 nan 8.370 nan 0.000 0.462 478 V N -0.701 119.072 119.914 -0.234 0.000 2.468 478 V HA 0.357 4.477 4.120 0.000 0.000 0.256 478 V C -2.519 173.527 176.094 -0.079 0.000 0.998 478 V CA -1.367 60.813 62.300 -0.201 0.000 1.114 478 V CB 0.476 32.120 31.823 -0.298 0.000 1.378 478 V HN 0.315 nan 8.190 nan 0.000 0.573 479 P HA 0.443 nan 4.420 nan 0.000 0.276 479 P C 0.813 178.089 177.300 -0.040 0.000 1.261 479 P CA 0.937 64.022 63.100 -0.025 0.000 0.800 479 P CB 1.402 33.090 31.700 -0.020 0.000 1.066 480 G N 0.054 108.832 108.800 -0.035 0.000 2.182 480 G HA2 -0.187 3.773 3.960 0.000 0.000 0.248 480 G HA3 -0.187 3.773 3.960 0.000 0.000 0.248 480 G C -0.171 174.660 174.900 -0.114 0.000 1.042 480 G CA -0.142 44.921 45.100 -0.061 0.000 0.775 480 G HN 0.488 nan 8.290 nan 0.000 0.501 481 I N 0.515 120.991 120.570 -0.156 0.000 2.389 481 I HA 0.296 4.466 4.170 0.000 0.000 0.288 481 I C -0.738 175.111 176.117 -0.448 0.000 0.999 481 I CA -0.822 60.256 61.300 -0.370 0.000 1.129 481 I CB 1.815 39.485 38.000 -0.549 0.000 1.288 481 I HN 0.023 nan 8.210 nan 0.000 0.444 482 D N 6.411 126.578 120.400 -0.388 0.000 2.467 482 D HA 0.210 4.850 4.640 0.000 0.000 0.220 482 D C 0.586 176.714 176.300 -0.287 0.000 1.103 482 D CA -0.289 53.573 54.000 -0.229 0.000 0.886 482 D CB 0.597 41.325 40.800 -0.120 0.000 1.025 482 D HN 0.298 nan 8.370 nan 0.000 0.514 483 F N 2.027 121.985 119.950 0.013 0.000 2.293 483 F HA 0.006 4.533 4.527 0.000 0.000 0.300 483 F C 2.370 178.181 175.800 0.018 0.000 1.086 483 F CA 0.521 58.533 58.000 0.020 0.000 1.375 483 F CB 0.022 39.043 39.000 0.035 0.000 1.045 483 F HN 0.233 nan 8.300 nan 0.000 0.516 484 R N 0.173 120.767 120.500 0.156 0.000 2.092 484 R HA -0.073 4.267 4.340 0.000 0.000 0.231 484 R C 2.469 178.795 176.300 0.043 0.000 1.119 484 R CA 1.127 57.285 56.100 0.097 0.000 0.970 484 R CB -0.661 29.684 30.300 0.076 0.000 0.864 484 R HN 0.263 nan 8.270 nan 0.000 0.440 485 A N 0.943 123.763 122.820 0.001 0.000 1.898 485 A HA -0.104 4.216 4.320 0.000 0.000 0.216 485 A C 2.112 179.663 177.584 -0.055 0.000 1.181 485 A CA 1.072 53.087 52.037 -0.037 0.000 0.620 485 A CB -0.497 18.463 19.000 -0.067 0.000 0.819 485 A HN 0.176 nan 8.150 nan 0.000 0.442 486 L N -0.786 120.405 121.223 -0.053 0.000 2.046 486 L HA -0.206 4.134 4.340 0.000 0.000 0.208 486 L C 3.121 180.002 176.870 0.018 0.000 1.077 486 L CA 1.090 55.903 54.840 -0.045 0.000 0.747 486 L CB -0.601 41.454 42.059 -0.006 0.000 0.896 486 L HN 0.451 nan 8.230 nan 0.000 0.432 487 A N 0.148 123.008 122.820 0.067 0.000 1.902 487 A HA -0.265 4.055 4.320 0.000 0.000 0.217 487 A C 2.411 180.033 177.584 0.065 0.000 1.181 487 A CA 2.029 54.118 52.037 0.086 0.000 0.623 487 A CB -0.479 18.574 19.000 0.088 0.000 0.818 487 A HN 0.346 nan 8.150 nan 0.000 0.443 488 K N -0.547 119.868 120.400 0.025 0.000 2.057 488 K HA -0.117 4.203 4.320 0.000 0.000 0.207 488 K C 2.033 178.619 176.600 -0.024 0.000 1.049 488 K CA 1.433 57.725 56.287 0.008 0.000 0.931 488 K CB -0.604 31.891 32.500 -0.007 0.000 0.714 488 K HN 0.376 nan 8.250 nan 0.000 0.440 489 G N -0.131 108.606 108.800 -0.105 0.000 2.469 489 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 489 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 489 G C 0.869 175.604 174.900 -0.276 0.000 1.136 489 G CA 0.971 45.917 45.100 -0.257 0.000 0.759 489 G HN 0.456 nan 8.290 nan 0.000 0.562 490 Y N 0.043 120.400 120.300 0.095 0.000 2.607 490 Y HA 0.376 4.926 4.550 0.000 0.000 0.266 490 Y C 1.758 177.738 175.900 0.133 0.000 1.178 490 Y CA -0.214 58.000 58.100 0.191 0.000 1.226 490 Y CB 0.662 39.238 38.460 0.193 0.000 1.144 490 Y HN 0.270 nan 8.280 nan 0.000 0.528 491 G N 0.905 109.809 108.800 0.172 0.000 2.198 491 G HA2 -0.249 3.711 3.960 0.000 0.000 0.257 491 G HA3 -0.249 3.711 3.960 0.000 0.000 0.257 491 G C -0.515 174.424 174.900 0.065 0.000 1.042 491 G CA 0.176 45.330 45.100 0.090 0.000 0.791 491 G HN 0.145 nan 8.290 nan 0.000 0.502 492 V N 0.519 120.484 119.914 0.084 0.000 2.417 492 V HA 0.413 4.533 4.120 0.000 0.000 0.291 492 V C 0.814 176.953 176.094 0.076 0.000 1.024 492 V CA -0.755 61.593 62.300 0.080 0.000 0.861 492 V CB 1.881 33.755 31.823 0.086 0.000 0.985 492 V HN 0.517 nan 8.190 nan 0.000 0.436 493 Q N 2.584 122.428 119.800 0.072 0.000 2.286 493 Q HA 0.384 4.724 4.340 0.000 0.000 0.290 493 Q C -0.167 175.881 176.000 0.080 0.000 1.049 493 Q CA 0.163 56.005 55.803 0.065 0.000 0.923 493 Q CB 0.791 29.564 28.738 0.058 0.000 1.183 493 Q HN 0.942 nan 8.270 nan 0.000 0.383 494 A N 4.872 127.734 122.820 0.069 0.000 2.374 494 A HA 0.807 5.127 4.320 0.000 0.000 0.317 494 A C -1.310 176.314 177.584 0.067 0.000 1.094 494 A CA -0.704 51.380 52.037 0.079 0.000 0.765 494 A CB 1.160 20.208 19.000 0.080 0.000 1.268 494 A HN 0.742 nan 8.150 nan 0.000 0.438 495 L N 0.419 121.685 121.223 0.071 0.000 2.376 495 L HA 0.676 5.017 4.340 0.000 0.000 0.258 495 L C -0.564 176.341 176.870 0.059 0.000 1.013 495 L CA -1.032 53.842 54.840 0.057 0.000 0.822 495 L CB 2.536 44.625 42.059 0.050 0.000 1.388 495 L HN 0.721 nan 8.230 nan 0.000 0.413 496 K N 1.176 121.604 120.400 0.047 0.000 2.316 496 K HA 0.827 5.147 4.320 0.000 0.000 0.251 496 K C -1.356 175.263 176.600 0.032 0.000 0.934 496 K CA -0.285 56.029 56.287 0.046 0.000 0.802 496 K CB 2.186 34.713 32.500 0.045 0.000 1.171 496 K HN 0.630 nan 8.250 nan 0.000 0.426 497 A N 3.722 126.557 122.820 0.026 0.000 2.522 497 A HA 0.336 4.656 4.320 0.000 0.000 0.285 497 A C -0.793 176.796 177.584 0.008 0.000 1.198 497 A CA -0.616 51.430 52.037 0.015 0.000 0.742 497 A CB 0.487 19.492 19.000 0.008 0.000 1.176 497 A HN 0.837 nan 8.150 nan 0.000 0.444 498 D N 1.039 121.444 120.400 0.009 0.000 2.350 498 D HA 0.057 4.697 4.640 0.000 0.000 0.213 498 D C 0.077 176.374 176.300 -0.004 0.000 1.031 498 D CA 0.888 54.890 54.000 0.004 0.000 0.861 498 D CB 0.414 41.219 40.800 0.008 0.000 0.926 498 D HN 0.790 nan 8.370 nan 0.000 0.520 499 N N -1.171 117.528 118.700 -0.002 0.000 3.020 499 N HA 0.060 4.800 4.740 0.000 0.000 0.248 499 N C 0.271 175.782 175.510 0.001 0.000 1.480 499 N CA -0.741 52.308 53.050 -0.003 0.000 0.874 499 N CB 1.084 39.573 38.487 0.003 0.000 1.433 499 N HN -0.249 nan 8.380 nan 0.000 0.530 500 L N 0.017 121.243 121.223 0.005 0.000 2.043 500 L HA -0.045 4.295 4.340 0.000 0.000 0.212 500 L C 1.684 178.560 176.870 0.010 0.000 1.075 500 L CA 2.052 56.897 54.840 0.009 0.000 0.752 500 L CB -0.892 41.177 42.059 0.017 0.000 0.891 500 L HN 0.662 nan 8.230 nan 0.000 0.432 501 E N -0.410 119.797 120.200 0.011 0.000 2.077 501 E HA -0.238 4.113 4.350 0.000 0.000 0.193 501 E C 2.206 178.813 176.600 0.011 0.000 0.989 501 E CA 1.336 57.743 56.400 0.012 0.000 0.800 501 E CB -0.254 29.453 29.700 0.012 0.000 0.746 501 E HN 0.685 nan 8.360 nan 0.000 0.452 502 Q N 0.029 119.835 119.800 0.011 0.000 2.119 502 Q HA -0.126 4.214 4.340 0.000 0.000 0.201 502 Q C 2.270 178.277 176.000 0.012 0.000 0.972 502 Q CA 0.724 56.535 55.803 0.012 0.000 0.847 502 Q CB -0.145 28.600 28.738 0.012 0.000 0.903 502 Q HN 0.124 nan 8.270 nan 0.000 0.433 503 L N 1.407 122.635 121.223 0.008 0.000 1.989 503 L HA -0.228 4.113 4.340 0.000 0.000 0.211 503 L C 1.872 178.749 176.870 0.012 0.000 1.071 503 L CA 1.928 56.772 54.840 0.006 0.000 0.749 503 L CB -0.317 41.740 42.059 -0.003 0.000 0.890 503 L HN -0.003 nan 8.230 nan 0.000 0.431 504 K N -0.665 119.743 120.400 0.013 0.000 2.032 504 K HA -0.144 4.176 4.320 0.000 0.000 0.209 504 K C 2.005 178.615 176.600 0.016 0.000 1.048 504 K CA 1.387 57.683 56.287 0.016 0.000 0.927 504 K CB -0.850 31.659 32.500 0.016 0.000 0.712 504 K HN 0.583 nan 8.250 nan 0.000 0.441 505 G N 0.737 109.546 108.800 0.015 0.000 2.421 505 G HA2 -0.250 3.711 3.960 0.000 0.000 0.216 505 G HA3 -0.250 3.711 3.960 0.000 0.000 0.216 505 G C 1.550 176.461 174.900 0.017 0.000 1.171 505 G CA 1.007 46.117 45.100 0.015 0.000 0.775 505 G HN 0.200 nan 8.290 nan 0.000 0.543 506 S N 0.554 116.265 115.700 0.019 0.000 2.356 506 S HA -0.039 4.431 4.470 0.000 0.000 0.223 506 S C 2.310 176.924 174.600 0.023 0.000 1.032 506 S CA 0.943 59.157 58.200 0.023 0.000 1.005 506 S CB -0.350 62.865 63.200 0.026 0.000 0.867 506 S HN 0.293 nan 8.310 nan 0.000 0.449 507 L N 1.288 122.524 121.223 0.022 0.000 2.012 507 L HA -0.227 4.113 4.340 0.000 0.000 0.210 507 L C 2.903 179.783 176.870 0.017 0.000 1.073 507 L CA 1.638 56.491 54.840 0.021 0.000 0.748 507 L CB -0.530 41.544 42.059 0.025 0.000 0.891 507 L HN 0.413 nan 8.230 nan 0.000 0.431 508 Q N -0.007 119.802 119.800 0.016 0.000 2.096 508 Q HA -0.289 4.051 4.340 0.000 0.000 0.204 508 Q C 2.126 178.133 176.000 0.012 0.000 0.982 508 Q CA 2.017 57.828 55.803 0.013 0.000 0.850 508 Q CB -0.011 28.735 28.738 0.013 0.000 0.901 508 Q HN 0.470 nan 8.270 nan 0.000 0.422 509 E N -0.690 119.519 120.200 0.015 0.000 2.072 509 E HA -0.179 4.171 4.350 0.000 0.000 0.191 509 E C 1.838 178.448 176.600 0.016 0.000 0.985 509 E CA 0.863 57.273 56.400 0.016 0.000 0.801 509 E CB -0.130 29.582 29.700 0.019 0.000 0.750 509 E HN 0.474 nan 8.360 nan 0.000 0.452 510 A N 1.026 123.857 122.820 0.019 0.000 1.877 510 A HA -0.179 4.141 4.320 0.000 0.000 0.216 510 A C 2.073 179.660 177.584 0.005 0.000 1.186 510 A CA 1.059 53.107 52.037 0.019 0.000 0.620 510 A CB -0.647 18.367 19.000 0.023 0.000 0.822 510 A HN 0.279 nan 8.150 nan 0.000 0.443 511 L N 0.831 122.054 121.223 0.000 0.000 2.013 511 L HA -0.183 4.157 4.340 0.000 0.000 0.212 511 L C 2.887 179.753 176.870 -0.008 0.000 1.073 511 L CA 2.618 57.452 54.840 -0.010 0.000 0.753 511 L CB -1.080 40.975 42.059 -0.006 0.000 0.890 511 L HN 0.621 nan 8.230 nan 0.000 0.432 512 S N -1.517 114.182 115.700 -0.001 0.000 2.527 512 S HA 0.246 4.716 4.470 0.000 0.000 0.222 512 S C 1.096 175.698 174.600 0.003 0.000 0.985 512 S CA 0.082 58.282 58.200 0.000 0.000 0.921 512 S CB -0.455 62.746 63.200 0.003 0.000 0.772 512 S HN 0.296 nan 8.310 nan 0.000 0.529 513 A N 2.029 124.852 122.820 0.006 0.000 2.483 513 A HA 0.389 4.709 4.320 0.000 0.000 0.238 513 A C 1.137 178.726 177.584 0.007 0.000 1.070 513 A CA -0.407 51.636 52.037 0.010 0.000 0.770 513 A CB 0.330 19.341 19.000 0.019 0.000 1.008 513 A HN 0.241 nan 8.150 nan 0.000 0.497 514 K N 1.351 121.755 120.400 0.008 0.000 2.400 514 K HA 0.102 4.422 4.320 0.000 0.000 0.194 514 K C 0.925 177.531 176.600 0.010 0.000 1.033 514 K CA 0.954 57.245 56.287 0.006 0.000 1.021 514 K CB 0.163 32.665 32.500 0.004 0.000 0.808 514 K HN 0.761 nan 8.250 nan 0.000 0.505 515 G N 1.946 110.757 108.800 0.017 0.000 3.140 515 G HA2 0.407 4.367 3.960 0.000 0.000 0.271 515 G HA3 0.407 4.367 3.960 0.000 0.000 0.271 515 G C -2.915 172.013 174.900 0.047 0.000 1.370 515 G CA -1.293 43.823 45.100 0.027 0.000 1.014 515 G HN -0.206 nan 8.290 nan 0.000 0.541 516 P HA 0.360 nan 4.420 nan 0.000 0.271 516 P C -0.849 176.548 177.300 0.162 0.000 1.218 516 P CA -0.095 63.096 63.100 0.150 0.000 0.780 516 P CB 1.675 33.529 31.700 0.256 0.000 0.901 517 V N 3.614 123.646 119.914 0.197 0.000 2.808 517 V HA 0.367 4.488 4.120 0.000 0.000 0.308 517 V C -0.073 176.184 176.094 0.273 0.000 1.099 517 V CA -0.755 61.652 62.300 0.177 0.000 0.920 517 V CB 2.173 34.053 31.823 0.096 0.000 1.014 517 V HN 0.476 nan 8.190 nan 0.000 0.425 518 L N 5.607 126.970 121.223 0.233 0.000 2.322 518 L HA 0.715 5.055 4.340 0.000 0.000 0.281 518 L C -1.144 175.815 176.870 0.149 0.000 1.014 518 L CA -0.380 54.603 54.840 0.239 0.000 0.815 518 L CB 1.333 43.498 42.059 0.175 0.000 1.247 518 L HN 0.613 nan 8.230 nan 0.000 0.421 519 I N 4.628 125.274 120.570 0.126 0.000 2.382 519 I HA 0.308 4.479 4.170 0.000 0.000 0.286 519 I C -0.343 175.807 176.117 0.054 0.000 1.002 519 I CA -0.444 60.903 61.300 0.080 0.000 1.135 519 I CB 1.819 39.854 38.000 0.058 0.000 1.288 519 I HN 0.618 nan 8.210 nan 0.000 0.448 520 E N 6.401 126.637 120.200 0.061 0.000 2.105 520 E HA 0.349 4.699 4.350 0.000 0.000 0.285 520 E C -1.233 175.380 176.600 0.021 0.000 1.055 520 E CA -0.491 55.933 56.400 0.040 0.000 0.843 520 E CB 1.161 30.937 29.700 0.128 0.000 1.067 520 E HN 0.357 nan 8.360 nan 0.000 0.398 521 V N 3.904 123.808 119.914 -0.016 0.000 2.394 521 V HA 0.153 4.273 4.120 0.000 0.000 0.282 521 V C -0.006 176.076 176.094 -0.019 0.000 1.031 521 V CA -0.726 61.562 62.300 -0.020 0.000 0.881 521 V CB 1.651 33.447 31.823 -0.045 0.000 0.982 521 V HN 0.619 nan 8.190 nan 0.000 0.451 522 S N 3.903 119.598 115.700 -0.009 0.000 2.405 522 S HA 0.378 4.848 4.470 0.000 0.000 0.291 522 S C 0.514 175.094 174.600 -0.032 0.000 1.137 522 S CA -0.507 57.689 58.200 -0.007 0.000 1.061 522 S CB 0.322 63.522 63.200 0.001 0.000 1.001 522 S HN 0.975 nan 8.310 nan 0.000 0.507 523 T N -0.498 114.037 114.554 -0.032 0.000 2.952 523 T HA 0.692 5.042 4.350 0.000 0.000 0.286 523 T C 0.350 175.019 174.700 -0.051 0.000 1.024 523 T CA -0.985 61.083 62.100 -0.053 0.000 1.029 523 T CB 0.949 69.794 68.868 -0.038 0.000 1.094 523 T HN 0.388 nan 8.240 nan 0.000 0.515 524 V N -1.098 118.762 119.914 -0.091 0.000 2.834 524 V HA 0.812 4.932 4.120 0.000 0.000 0.301 524 V C 0.521 176.618 176.094 0.004 0.000 1.066 524 V CA -0.287 61.965 62.300 -0.079 0.000 1.052 524 V CB -0.057 31.651 31.823 -0.191 0.000 1.021 524 V HN 1.408 nan 8.190 nan 0.000 0.480 525 S N 0.000 115.716 115.700 0.027 0.000 2.498 525 S HA 0.000 4.470 4.470 0.000 0.000 0.327 525 S CA 0.000 58.238 58.200 0.064 0.000 1.107 525 S CB 0.000 63.236 63.200 0.061 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517