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 3f6b_1_X 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 STVSP 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 0.000 177.667 177.584 0.138 0.000 1.274 2 A CA 0.000 52.112 52.037 0.125 0.000 0.836 2 A CB 0.000 19.097 19.000 0.161 0.000 0.831 3 S N 0.317 116.115 115.700 0.162 0.000 2.632 3 S HA 0.494 4.964 4.470 0.000 0.000 0.267 3 S C 1.153 175.904 174.600 0.252 0.000 1.276 3 S CA 0.037 58.353 58.200 0.195 0.000 0.998 3 S CB 1.124 64.449 63.200 0.210 0.000 0.953 3 S HN 1.427 nan 8.310 nan 0.000 0.547 4 V N 1.552 121.622 119.914 0.261 0.000 2.392 4 V HA -0.196 3.924 4.120 0.000 0.000 0.249 4 V C 2.582 178.969 176.094 0.489 0.000 1.059 4 V CA 2.265 64.740 62.300 0.290 0.000 1.051 4 V CB -1.385 30.535 31.823 0.162 0.000 0.658 4 V HN 1.035 nan 8.190 nan 0.000 0.455 5 H N 0.774 120.136 119.070 0.487 0.000 2.290 5 H HA -0.156 4.400 4.556 0.000 0.000 0.298 5 H C 2.309 177.854 175.328 0.362 0.000 1.087 5 H CA 2.229 58.581 56.048 0.507 0.000 1.291 5 H CB -0.453 29.540 29.762 0.385 0.000 1.369 5 H HN 0.423 nan 8.280 nan 0.000 0.492 6 G N -0.755 108.329 108.800 0.473 0.000 2.408 6 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 6 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 6 G C 1.801 176.850 174.900 0.248 0.000 1.150 6 G CA 1.170 46.462 45.100 0.320 0.000 0.776 6 G HN 0.438 nan 8.290 nan 0.000 0.542 7 T N 0.857 115.583 114.554 0.287 0.000 2.821 7 T HA -0.081 4.269 4.350 0.000 0.000 0.267 7 T C 2.636 177.527 174.700 0.320 0.000 1.046 7 T CA 1.694 63.999 62.100 0.342 0.000 1.139 7 T CB -0.330 68.739 68.868 0.335 0.000 0.871 7 T HN 0.282 nan 8.240 nan 0.000 0.454 8 T N 0.858 115.569 114.554 0.262 0.000 2.770 8 T HA -0.037 4.313 4.350 0.000 0.000 0.263 8 T C 1.607 176.304 174.700 -0.004 0.000 1.039 8 T CA 0.977 63.184 62.100 0.178 0.000 1.142 8 T CB -0.446 68.592 68.868 0.283 0.000 0.868 8 T HN 0.383 nan 8.240 nan 0.000 0.435 9 Y N 1.382 121.632 120.300 -0.085 0.000 2.293 9 Y HA -0.048 4.502 4.550 0.000 0.000 0.291 9 Y C 2.572 178.398 175.900 -0.123 0.000 1.137 9 Y CA 0.935 58.862 58.100 -0.287 0.000 1.202 9 Y CB -0.294 37.821 38.460 -0.575 0.000 0.990 9 Y HN 0.178 nan 8.280 nan 0.000 0.537 10 E N 0.420 120.634 120.200 0.023 0.000 2.051 10 E HA -0.199 4.151 4.350 0.000 0.000 0.192 10 E C 2.075 178.518 176.600 -0.262 0.000 0.991 10 E CA 1.048 57.323 56.400 -0.210 0.000 0.799 10 E CB -0.572 28.847 29.700 -0.469 0.000 0.748 10 E HN 0.337 nan 8.360 nan 0.000 0.449 11 L N 0.223 121.430 121.223 -0.027 0.000 2.012 11 L HA -0.148 4.192 4.340 0.000 0.000 0.210 11 L C 2.150 179.090 176.870 0.117 0.000 1.073 11 L CA 1.747 56.707 54.840 0.200 0.000 0.748 11 L CB -0.648 41.625 42.059 0.356 0.000 0.891 11 L HN 0.279 nan 8.230 nan 0.000 0.431 12 L N -0.316 120.969 121.223 0.104 0.000 1.989 12 L HA -0.247 4.093 4.340 0.000 0.000 0.211 12 L C 2.887 179.836 176.870 0.132 0.000 1.071 12 L CA 2.083 56.995 54.840 0.121 0.000 0.749 12 L CB -0.777 41.356 42.059 0.122 0.000 0.890 12 L HN 0.410 nan 8.230 nan 0.000 0.431 13 R N -0.122 120.494 120.500 0.194 0.000 2.105 13 R HA -0.143 4.198 4.340 0.000 0.000 0.239 13 R C 2.172 178.469 176.300 -0.006 0.000 1.135 13 R CA 1.076 57.203 56.100 0.045 0.000 0.967 13 R CB -0.497 29.849 30.300 0.076 0.000 0.861 13 R HN 0.232 nan 8.270 nan 0.000 0.442 14 R N 0.444 120.940 120.500 -0.007 0.000 2.235 14 R HA 0.022 4.362 4.340 0.000 0.000 0.213 14 R C 1.331 177.673 176.300 0.070 0.000 1.059 14 R CA 0.730 56.840 56.100 0.015 0.000 0.997 14 R CB 0.045 30.346 30.300 0.002 0.000 0.884 14 R HN 0.431 nan 8.270 nan 0.000 0.462 15 Q N -0.626 119.217 119.800 0.071 0.000 2.247 15 Q HA 0.152 4.492 4.340 0.000 0.000 0.204 15 Q C 0.633 176.664 176.000 0.050 0.000 0.872 15 Q CA 0.378 56.226 55.803 0.075 0.000 0.951 15 Q CB 1.167 29.940 28.738 0.058 0.000 1.099 15 Q HN 0.507 nan 8.270 nan 0.000 0.501 16 G N 1.248 110.062 108.800 0.023 0.000 2.141 16 G HA2 -0.241 3.719 3.960 0.000 0.000 0.231 16 G HA3 -0.241 3.719 3.960 0.000 0.000 0.231 16 G C 0.108 174.996 174.900 -0.020 0.000 0.984 16 G CA -0.229 44.873 45.100 0.003 0.000 0.660 16 G HN 0.318 nan 8.290 nan 0.000 0.525 17 I N 1.486 122.034 120.570 -0.037 0.000 2.331 17 I HA 0.457 4.627 4.170 0.000 0.000 0.292 17 I C 0.594 176.492 176.117 -0.365 0.000 0.998 17 I CA -0.085 61.182 61.300 -0.055 0.000 1.267 17 I CB 1.454 39.490 38.000 0.060 0.000 1.386 17 I HN 0.246 nan 8.210 nan 0.000 0.476 18 D N 1.428 121.573 120.400 -0.425 0.000 2.516 18 D HA 0.097 4.737 4.640 0.000 0.000 0.241 18 D C -0.081 175.890 176.300 -0.547 0.000 1.246 18 D CA -0.046 53.415 54.000 -0.898 0.000 0.808 18 D CB 0.582 41.063 40.800 -0.532 0.000 1.147 18 D HN 0.262 nan 8.370 nan 0.000 0.527 19 T N 0.228 114.660 114.554 -0.203 0.000 2.881 19 T HA 0.555 4.905 4.350 0.000 0.000 0.290 19 T C -0.929 173.773 174.700 0.003 0.000 1.000 19 T CA -0.612 61.381 62.100 -0.178 0.000 0.978 19 T CB 2.516 71.103 68.868 -0.468 0.000 0.997 19 T HN -0.136 nan 8.240 nan 0.000 0.443 20 V N 3.966 123.914 119.914 0.056 0.000 2.357 20 V HA 0.481 4.601 4.120 0.000 0.000 0.284 20 V C -0.847 175.032 176.094 -0.359 0.000 1.018 20 V CA -0.836 61.598 62.300 0.223 0.000 0.841 20 V CB 0.571 32.747 31.823 0.588 0.000 0.991 20 V HN 0.792 nan 8.190 nan 0.000 0.437 21 F N 3.270 123.183 119.950 -0.061 0.000 2.411 21 F HA 0.753 5.280 4.527 0.000 0.000 0.355 21 F C 0.947 176.618 175.800 -0.215 0.000 1.117 21 F CA -0.008 57.857 58.000 -0.225 0.000 1.139 21 F CB 1.603 40.530 39.000 -0.123 0.000 1.120 21 F HN 0.597 nan 8.300 nan 0.000 0.493 22 G N 2.446 111.096 108.800 -0.250 0.000 2.677 22 G HA2 0.322 4.282 3.960 0.000 0.000 0.291 22 G HA3 0.322 4.282 3.960 0.000 0.000 0.291 22 G C -2.177 172.801 174.900 0.131 0.000 1.435 22 G CA -0.897 44.182 45.100 -0.036 0.000 0.826 22 G HN 0.535 nan 8.290 nan 0.000 0.491 23 N N 1.143 119.975 118.700 0.220 0.000 2.461 23 N HA 0.436 5.176 4.740 0.000 0.000 0.284 23 N C -2.820 172.824 175.510 0.222 0.000 1.049 23 N CA -1.291 51.887 53.050 0.213 0.000 0.889 23 N CB 3.342 41.912 38.487 0.138 0.000 1.365 23 N HN 0.293 nan 8.380 nan 0.000 0.499 24 P HA 0.407 nan 4.420 nan 0.000 0.276 24 P C -0.289 177.027 177.300 0.025 0.000 1.252 24 P CA -0.020 63.158 63.100 0.130 0.000 0.802 24 P CB 1.769 33.483 31.700 0.023 0.000 1.035 25 G N -0.847 107.949 108.800 -0.006 0.000 2.721 25 G HA2 0.375 4.335 3.960 0.000 0.000 0.296 25 G HA3 0.375 4.335 3.960 0.000 0.000 0.296 25 G C 0.640 175.466 174.900 -0.124 0.000 1.383 25 G CA -0.009 44.927 45.100 -0.274 0.000 0.788 25 G HN 0.402 nan 8.290 nan 0.000 0.500 26 S N -0.463 115.116 115.700 -0.201 0.000 2.406 26 S HA -0.082 4.388 4.470 0.000 0.000 0.228 26 S C 1.529 176.122 174.600 -0.011 0.000 1.020 26 S CA 1.300 59.454 58.200 -0.076 0.000 0.965 26 S CB -0.152 63.003 63.200 -0.074 0.000 0.798 26 S HN 0.391 nan 8.310 nan 0.000 0.488 27 N N 1.771 120.599 118.700 0.213 0.000 2.512 27 N HA 0.055 4.795 4.740 0.000 0.000 0.183 27 N C 0.873 176.564 175.510 0.302 0.000 1.073 27 N CA 0.870 54.086 53.050 0.277 0.000 0.911 27 N CB -0.165 38.537 38.487 0.358 0.000 0.964 27 N HN 0.589 nan 8.380 nan 0.000 0.447 28 E N -0.426 119.923 120.200 0.248 0.000 2.460 28 E HA 0.216 4.566 4.350 0.000 0.000 0.200 28 E C 1.705 178.411 176.600 0.177 0.000 1.011 28 E CA -0.106 56.455 56.400 0.270 0.000 0.912 28 E CB 0.089 29.959 29.700 0.284 0.000 0.953 28 E HN 0.208 nan 8.360 nan 0.000 0.494 29 L N 0.947 122.213 121.223 0.071 0.000 2.083 29 L HA -0.093 4.247 4.340 0.000 0.000 0.209 29 L C -0.707 176.187 176.870 0.039 0.000 1.083 29 L CA 1.205 56.049 54.840 0.007 0.000 0.752 29 L CB -1.199 40.828 42.059 -0.055 0.000 0.899 29 L HN 0.127 nan 8.230 nan 0.000 0.433 30 P HA -0.173 nan 4.420 nan 0.000 0.223 30 P C 1.342 178.714 177.300 0.120 0.000 1.151 30 P CA 1.055 64.271 63.100 0.194 0.000 0.787 30 P CB 0.026 31.977 31.700 0.419 0.000 0.788 31 F N 0.207 119.962 119.950 -0.325 0.000 2.219 31 F HA 0.026 4.553 4.527 0.000 0.000 0.294 31 F C 1.668 177.393 175.800 -0.124 0.000 1.086 31 F CA 1.220 58.756 58.000 -0.773 0.000 1.330 31 F CB -0.768 37.613 39.000 -1.032 0.000 1.047 31 F HN -0.279 nan 8.300 nan 0.000 0.495 32 L N 0.879 121.989 121.223 -0.188 0.000 2.418 32 L HA -0.022 4.318 4.340 0.000 0.000 0.218 32 L C 1.124 177.966 176.870 -0.047 0.000 1.125 32 L CA 0.165 54.910 54.840 -0.157 0.000 0.835 32 L CB -0.858 41.115 42.059 -0.142 0.000 0.953 32 L HN 0.054 nan 8.230 nan 0.000 0.454 33 K N -0.275 120.120 120.400 -0.009 0.000 2.276 33 K HA -0.028 4.292 4.320 0.000 0.000 0.259 33 K C -0.215 176.380 176.600 -0.008 0.000 1.001 33 K CA -0.293 55.978 56.287 -0.027 0.000 0.927 33 K CB 0.323 32.794 32.500 -0.050 0.000 0.969 33 K HN -0.070 nan 8.250 nan 0.000 0.490 34 D N -0.120 120.242 120.400 -0.064 0.000 2.751 34 D HA -0.226 4.414 4.640 0.000 0.000 0.233 34 D C -0.688 175.543 176.300 -0.116 0.000 1.149 34 D CA 0.862 54.803 54.000 -0.098 0.000 0.682 34 D CB -1.469 39.217 40.800 -0.191 0.000 1.068 34 D HN 0.499 nan 8.370 nan 0.000 0.429 35 F N 1.006 120.790 119.950 -0.276 0.000 2.578 35 F HA 0.233 4.760 4.527 0.000 0.000 0.376 35 F C -1.510 174.037 175.800 -0.421 0.000 1.085 35 F CA -1.381 56.357 58.000 -0.436 0.000 1.260 35 F CB 0.499 39.317 39.000 -0.303 0.000 1.095 35 F HN -0.169 nan 8.300 nan 0.000 0.573 36 P HA 0.090 nan 4.420 nan 0.000 0.271 36 P C 0.010 177.110 177.300 -0.334 0.000 1.218 36 P CA -0.032 62.677 63.100 -0.651 0.000 0.780 36 P CB 0.615 31.837 31.700 -0.798 0.000 0.901 37 E N 1.055 121.167 120.200 -0.147 0.000 2.268 37 E HA -0.161 4.189 4.350 0.000 0.000 0.195 37 E C 0.884 177.479 176.600 -0.008 0.000 0.995 37 E CA 0.955 57.330 56.400 -0.042 0.000 0.836 37 E CB -0.070 29.609 29.700 -0.034 0.000 0.763 37 E HN 0.598 nan 8.360 nan 0.000 0.491 38 D N -0.194 120.206 120.400 -0.000 0.000 2.340 38 D HA -0.061 4.579 4.640 0.000 0.000 0.220 38 D C 0.132 176.418 176.300 -0.023 0.000 1.039 38 D CA 0.058 54.057 54.000 -0.002 0.000 0.866 38 D CB -0.075 40.712 40.800 -0.021 0.000 0.913 38 D HN -0.026 nan 8.370 nan 0.000 0.523 39 F N 1.589 121.397 119.950 -0.237 0.000 2.440 39 F HA 0.399 4.926 4.527 0.000 0.000 0.328 39 F C 1.074 176.902 175.800 0.047 0.000 1.070 39 F CA -1.100 56.778 58.000 -0.203 0.000 1.011 39 F CB 1.380 40.024 39.000 -0.593 0.000 1.226 39 F HN -0.212 nan 8.300 nan 0.000 0.491 40 R N 1.631 122.281 120.500 0.250 0.000 2.711 40 R HA 0.517 4.857 4.340 0.000 0.000 0.284 40 R C -2.145 174.343 176.300 0.312 0.000 0.968 40 R CA -0.741 55.515 56.100 0.260 0.000 0.924 40 R CB 1.473 31.782 30.300 0.015 0.000 1.162 40 R HN 0.697 nan 8.270 nan 0.000 0.465 41 Y N 3.366 123.690 120.300 0.041 0.000 2.335 41 Y HA 0.422 4.973 4.550 0.000 0.000 0.338 41 Y C -0.908 174.861 175.900 -0.218 0.000 0.977 41 Y CA -1.192 56.812 58.100 -0.159 0.000 1.114 41 Y CB 1.416 39.606 38.460 -0.451 0.000 1.182 41 Y HN 0.511 nan 8.280 nan 0.000 0.463 42 I N 8.280 128.443 120.570 -0.678 0.000 2.359 42 I HA 0.163 4.333 4.170 0.000 0.000 0.284 42 I C -0.718 175.189 176.117 -0.351 0.000 1.018 42 I CA -0.770 60.156 61.300 -0.624 0.000 1.173 42 I CB 0.897 38.458 38.000 -0.732 0.000 1.326 42 I HN 0.524 nan 8.210 nan 0.000 0.462 43 L N 6.890 128.208 121.223 0.159 0.000 2.331 43 L HA 0.676 5.016 4.340 0.000 0.000 0.278 43 L C 0.097 177.202 176.870 0.393 0.000 1.106 43 L CA 0.345 55.405 54.840 0.366 0.000 0.824 43 L CB 0.997 43.428 42.059 0.620 0.000 1.142 43 L HN 0.697 nan 8.230 nan 0.000 0.443 44 A N 4.941 127.920 122.820 0.265 0.000 2.423 44 A HA 0.591 4.911 4.320 0.000 0.000 0.304 44 A C 0.288 177.947 177.584 0.126 0.000 1.104 44 A CA -0.645 51.536 52.037 0.241 0.000 0.757 44 A CB 1.134 20.228 19.000 0.157 0.000 1.313 44 A HN 0.839 nan 8.150 nan 0.000 0.423 45 L N -0.252 120.985 121.223 0.024 0.000 2.558 45 L HA 0.178 4.518 4.340 0.000 0.000 0.225 45 L C 0.820 177.664 176.870 -0.043 0.000 1.128 45 L CA 0.717 55.496 54.840 -0.101 0.000 0.868 45 L CB 0.098 41.996 42.059 -0.269 0.000 1.006 45 L HN 0.705 nan 8.230 nan 0.000 0.454 46 Q N -0.491 119.310 119.800 0.003 0.000 2.435 46 Q HA 0.140 4.480 4.340 0.000 0.000 0.282 46 Q C -0.501 175.530 176.000 0.052 0.000 1.020 46 Q CA -0.237 55.582 55.803 0.026 0.000 0.820 46 Q CB 2.359 31.109 28.738 0.019 0.000 1.436 46 Q HN -0.014 nan 8.270 nan 0.000 0.395 47 E N 0.823 121.061 120.200 0.064 0.000 2.285 47 E HA 0.030 4.380 4.350 0.000 0.000 0.194 47 E C 1.412 178.053 176.600 0.068 0.000 0.997 47 E CA 1.191 57.636 56.400 0.074 0.000 0.845 47 E CB 0.112 29.862 29.700 0.083 0.000 0.782 47 E HN 0.634 nan 8.360 nan 0.000 0.491 48 A N 0.219 123.080 122.820 0.068 0.000 1.933 48 A HA -0.199 4.121 4.320 0.000 0.000 0.218 48 A C 2.201 179.823 177.584 0.063 0.000 1.175 48 A CA 1.285 53.367 52.037 0.074 0.000 0.628 48 A CB -0.828 18.228 19.000 0.094 0.000 0.814 48 A HN 0.412 nan 8.150 nan 0.000 0.444 49 C N -1.421 117.912 119.300 0.054 0.000 2.466 49 C HA -0.014 4.446 4.460 0.000 0.000 0.278 49 C C 2.664 177.675 174.990 0.035 0.000 1.288 49 C CA 0.716 59.758 59.018 0.040 0.000 1.722 49 C CB -1.289 26.473 27.740 0.036 0.000 2.017 49 C HN 0.445 nan 8.230 nan 0.000 0.488 50 V N 1.215 121.162 119.914 0.056 0.000 2.252 50 V HA -0.234 3.886 4.120 0.000 0.000 0.249 50 V C 2.461 178.561 176.094 0.009 0.000 1.056 50 V CA 2.380 64.718 62.300 0.063 0.000 1.022 50 V CB -0.808 31.067 31.823 0.087 0.000 0.641 50 V HN 0.472 nan 8.190 nan 0.000 0.445 51 V N 0.698 120.624 119.914 0.020 0.000 2.358 51 V HA -0.133 3.987 4.120 0.000 0.000 0.246 51 V C 2.637 178.714 176.094 -0.028 0.000 1.047 51 V CA 2.031 64.332 62.300 0.002 0.000 1.035 51 V CB -1.411 30.439 31.823 0.045 0.000 0.658 51 V HN 0.617 nan 8.190 nan 0.000 0.452 52 G N 0.069 108.864 108.800 -0.007 0.000 2.440 52 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 52 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 52 G C 1.581 176.376 174.900 -0.175 0.000 1.154 52 G CA 1.088 46.155 45.100 -0.053 0.000 0.767 52 G HN 0.485 nan 8.290 nan 0.000 0.552 53 I N 1.407 121.878 120.570 -0.164 0.000 2.163 53 I HA -0.208 3.962 4.170 0.000 0.000 0.243 53 I C 3.313 179.144 176.117 -0.477 0.000 1.085 53 I CA 1.104 62.269 61.300 -0.226 0.000 1.347 53 I CB -0.268 37.673 38.000 -0.099 0.000 1.044 53 I HN 0.244 nan 8.210 nan 0.000 0.408 54 A N 0.168 122.573 122.820 -0.692 0.000 1.940 54 A HA -0.293 4.027 4.320 0.000 0.000 0.219 54 A C 2.064 179.429 177.584 -0.365 0.000 1.176 54 A CA 2.245 53.692 52.037 -0.984 0.000 0.631 54 A CB -0.639 17.971 19.000 -0.651 0.000 0.814 54 A HN 0.449 nan 8.150 nan 0.000 0.446 55 D N -0.426 119.867 120.400 -0.179 0.000 2.097 55 D HA -0.063 4.577 4.640 0.000 0.000 0.197 55 D C 2.094 178.364 176.300 -0.050 0.000 0.984 55 D CA 1.641 55.630 54.000 -0.019 0.000 0.826 55 D CB -0.641 40.235 40.800 0.127 0.000 0.973 55 D HN 0.295 nan 8.370 nan 0.000 0.460 56 G N -0.921 107.778 108.800 -0.167 0.000 2.442 56 G HA2 -0.320 3.640 3.960 0.000 0.000 0.219 56 G HA3 -0.320 3.640 3.960 0.000 0.000 0.219 56 G C 1.689 176.466 174.900 -0.206 0.000 1.141 56 G CA 0.977 45.907 45.100 -0.285 0.000 0.763 56 G HN 0.386 nan 8.290 nan 0.000 0.554 57 Y N 1.885 122.027 120.300 -0.262 0.000 2.181 57 Y HA 0.029 4.579 4.550 0.000 0.000 0.288 57 Y C 2.922 178.770 175.900 -0.086 0.000 1.146 57 Y CA 1.468 59.471 58.100 -0.161 0.000 1.164 57 Y CB -0.287 38.064 38.460 -0.182 0.000 0.982 57 Y HN 0.246 nan 8.280 nan 0.000 0.515 58 A N 0.033 122.849 122.820 -0.005 0.000 1.898 58 A HA -0.218 4.102 4.320 0.000 0.000 0.216 58 A C 2.110 179.668 177.584 -0.044 0.000 1.181 58 A CA 1.853 53.885 52.037 -0.008 0.000 0.620 58 A CB -0.678 18.357 19.000 0.058 0.000 0.819 58 A HN 0.651 nan 8.150 nan 0.000 0.442 59 Q N -0.839 118.940 119.800 -0.036 0.000 2.079 59 Q HA -0.067 4.273 4.340 0.000 0.000 0.200 59 Q C 2.398 178.422 176.000 0.041 0.000 0.974 59 Q CA 1.314 57.142 55.803 0.040 0.000 0.840 59 Q CB -0.302 28.487 28.738 0.085 0.000 0.898 59 Q HN 0.682 nan 8.270 nan 0.000 0.430 60 A N 0.304 123.068 122.820 -0.093 0.000 1.930 60 A HA -0.066 4.254 4.320 0.000 0.000 0.215 60 A C 2.154 179.681 177.584 -0.095 0.000 1.176 60 A CA 1.205 53.218 52.037 -0.039 0.000 0.632 60 A CB -0.114 18.814 19.000 -0.120 0.000 0.819 60 A HN 0.207 nan 8.150 nan 0.000 0.445 61 S N -0.872 114.690 115.700 -0.230 0.000 2.489 61 S HA 0.053 4.523 4.470 0.000 0.000 0.228 61 S C 0.571 175.106 174.600 -0.108 0.000 0.995 61 S CA 0.309 58.364 58.200 -0.242 0.000 0.934 61 S CB -0.157 62.752 63.200 -0.484 0.000 0.771 61 S HN 0.587 nan 8.310 nan 0.000 0.522 62 R N 1.121 121.588 120.500 -0.055 0.000 3.336 62 R HA -0.183 4.158 4.340 0.000 0.000 0.260 62 R C -0.333 175.967 176.300 0.001 0.000 1.032 62 R CA 0.871 56.969 56.100 -0.003 0.000 0.693 62 R CB -1.866 28.442 30.300 0.012 0.000 1.134 62 R HN 0.654 nan 8.270 nan 0.000 0.433 63 K N -1.422 118.978 120.400 0.001 0.000 2.555 63 K HA 0.575 4.895 4.320 0.000 0.000 0.279 63 K C -3.164 173.482 176.600 0.076 0.000 0.986 63 K CA -2.097 54.212 56.287 0.036 0.000 0.880 63 K CB 2.660 35.181 32.500 0.036 0.000 1.474 63 K HN -0.285 nan 8.250 nan 0.000 0.433 64 P HA 0.158 nan 4.420 nan 0.000 0.271 64 P C -1.141 176.295 177.300 0.227 0.000 1.218 64 P CA -0.304 62.883 63.100 0.145 0.000 0.780 64 P CB 1.096 32.877 31.700 0.136 0.000 0.901 65 A N 2.574 125.542 122.820 0.247 0.000 2.355 65 A HA 0.661 4.981 4.320 0.000 0.000 0.324 65 A C -1.316 176.486 177.584 0.365 0.000 1.117 65 A CA -0.579 51.672 52.037 0.358 0.000 0.785 65 A CB 0.598 19.756 19.000 0.264 0.000 1.254 65 A HN 0.483 nan 8.150 nan 0.000 0.453 66 F N 2.000 122.142 119.950 0.320 0.000 2.436 66 F HA 0.751 5.278 4.527 0.000 0.000 0.340 66 F C -0.654 175.335 175.800 0.314 0.000 1.113 66 F CA -0.725 57.439 58.000 0.273 0.000 1.022 66 F CB 0.973 40.131 39.000 0.263 0.000 1.128 66 F HN 0.427 nan 8.300 nan 0.000 0.466 67 I N 4.660 125.039 120.570 -0.318 0.000 2.689 67 I HA 0.333 4.503 4.170 0.000 0.000 0.299 67 I C -1.200 174.765 176.117 -0.253 0.000 1.059 67 I CA -0.863 60.386 61.300 -0.084 0.000 1.055 67 I CB 2.265 40.248 38.000 -0.029 0.000 1.243 67 I HN 0.569 nan 8.210 nan 0.000 0.425 68 N N 5.864 124.590 118.700 0.042 0.000 2.399 68 N HA 0.672 5.412 4.740 0.000 0.000 0.284 68 N C -1.714 173.891 175.510 0.158 0.000 1.025 68 N CA -0.346 52.771 53.050 0.111 0.000 0.885 68 N CB 1.229 39.952 38.487 0.392 0.000 1.339 68 N HN 0.455 nan 8.380 nan 0.000 0.487 69 L N 1.109 122.408 121.223 0.127 0.000 2.279 69 L HA 0.472 4.812 4.340 0.000 0.000 0.262 69 L C -0.583 176.405 176.870 0.197 0.000 1.019 69 L CA -1.228 53.712 54.840 0.165 0.000 0.823 69 L CB 1.565 43.710 42.059 0.144 0.000 1.358 69 L HN 0.593 nan 8.230 nan 0.000 0.432 70 H N 0.605 119.742 119.070 0.113 0.000 2.690 70 H HA 0.341 4.897 4.556 0.000 0.000 0.289 70 H C 0.315 175.705 175.328 0.104 0.000 1.089 70 H CA 0.818 56.930 56.048 0.106 0.000 1.299 70 H CB 0.699 30.514 29.762 0.089 0.000 1.405 70 H HN 0.691 nan 8.280 nan 0.000 0.463 71 S N 2.975 118.512 115.700 -0.273 0.000 3.055 71 S HA -0.373 4.097 4.470 0.000 0.000 0.628 71 S C 1.739 176.284 174.600 -0.092 0.000 3.040 71 S CA 1.735 59.782 58.200 -0.255 0.000 3.787 71 S CB -1.325 61.553 63.200 -0.537 0.000 0.299 71 S HN 1.104 nan 8.310 nan 0.000 1.470 72 A N 0.271 123.039 122.820 -0.086 0.000 1.897 72 A HA 0.371 4.691 4.320 0.000 0.000 0.215 72 A C 2.592 180.166 177.584 -0.017 0.000 1.181 72 A CA 2.315 54.336 52.037 -0.026 0.000 0.620 72 A CB -1.417 17.568 19.000 -0.026 0.000 0.821 72 A HN 1.658 nan 8.150 nan 0.000 0.443 73 A N -0.412 122.398 122.820 -0.018 0.000 1.898 73 A HA 0.177 4.497 4.320 0.000 0.000 0.216 73 A C 2.377 179.993 177.584 0.053 0.000 1.181 73 A CA 1.814 53.868 52.037 0.029 0.000 0.620 73 A CB -1.309 17.730 19.000 0.064 0.000 0.819 73 A HN 0.665 nan 8.150 nan 0.000 0.442 74 G N -1.003 107.841 108.800 0.073 0.000 2.421 74 G HA2 -0.144 3.816 3.960 0.000 0.000 0.216 74 G HA3 -0.144 3.816 3.960 0.000 0.000 0.216 74 G C 1.580 176.530 174.900 0.084 0.000 1.171 74 G CA 1.640 46.806 45.100 0.109 0.000 0.775 74 G HN 0.414 nan 8.290 nan 0.000 0.543 75 T N 1.022 115.622 114.554 0.076 0.000 2.720 75 T HA -0.067 4.283 4.350 0.000 0.000 0.268 75 T C 2.489 177.189 174.700 -0.000 0.000 1.037 75 T CA 1.546 63.682 62.100 0.061 0.000 1.144 75 T CB -0.612 68.294 68.868 0.064 0.000 0.864 75 T HN 0.359 nan 8.240 nan 0.000 0.444 76 G N 1.822 110.618 108.800 -0.006 0.000 2.422 76 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 76 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 76 G C 1.628 176.533 174.900 0.009 0.000 1.146 76 G CA 0.591 45.681 45.100 -0.016 0.000 0.769 76 G HN 0.385 nan 8.290 nan 0.000 0.547 77 N N 0.988 119.707 118.700 0.032 0.000 2.364 77 N HA -0.003 4.737 4.740 0.000 0.000 0.183 77 N C 2.032 177.571 175.510 0.049 0.000 1.022 77 N CA 0.945 54.023 53.050 0.045 0.000 0.883 77 N CB -0.158 38.363 38.487 0.058 0.000 0.965 77 N HN 0.329 nan 8.380 nan 0.000 0.438 78 A N -0.381 122.464 122.820 0.043 0.000 2.275 78 A HA 0.153 4.474 4.320 0.000 0.000 0.212 78 A C 1.860 179.461 177.584 0.029 0.000 1.201 78 A CA 0.071 52.135 52.037 0.046 0.000 0.843 78 A CB -0.072 18.961 19.000 0.055 0.000 0.873 78 A HN 0.056 nan 8.150 nan 0.000 0.492 79 M N -0.662 118.942 119.600 0.007 0.000 2.349 79 M HA -0.033 4.447 4.480 0.000 0.000 0.266 79 M C 2.164 178.464 176.300 -0.000 0.000 1.076 79 M CA 1.314 56.604 55.300 -0.017 0.000 1.126 79 M CB -1.192 31.379 32.600 -0.048 0.000 1.392 79 M HN 0.502 nan 8.290 nan 0.000 0.440 80 G N 0.078 108.890 108.800 0.020 0.000 2.408 80 G HA2 -0.080 3.880 3.960 0.000 0.000 0.217 80 G HA3 -0.080 3.880 3.960 0.000 0.000 0.217 80 G C 1.635 176.560 174.900 0.042 0.000 1.150 80 G CA 1.020 46.135 45.100 0.025 0.000 0.776 80 G HN 0.517 nan 8.290 nan 0.000 0.542 81 A N 0.658 123.518 122.820 0.066 0.000 1.933 81 A HA 0.094 4.414 4.320 0.000 0.000 0.218 81 A C 2.396 180.032 177.584 0.087 0.000 1.175 81 A CA 1.168 53.262 52.037 0.095 0.000 0.628 81 A CB -0.367 18.694 19.000 0.101 0.000 0.814 81 A HN 0.360 nan 8.150 nan 0.000 0.444 82 L N 0.499 121.760 121.223 0.065 0.000 2.131 82 L HA -0.185 4.155 4.340 0.000 0.000 0.210 82 L C 3.007 179.932 176.870 0.093 0.000 1.092 82 L CA 1.433 56.319 54.840 0.078 0.000 0.759 82 L CB -0.575 41.510 42.059 0.044 0.000 0.903 82 L HN 0.644 nan 8.230 nan 0.000 0.435 83 S N -0.042 115.686 115.700 0.046 0.000 2.368 83 S HA -0.193 4.277 4.470 0.000 0.000 0.225 83 S C 1.808 176.450 174.600 0.069 0.000 1.030 83 S CA 1.382 59.609 58.200 0.045 0.000 0.999 83 S CB -0.444 62.751 63.200 -0.007 0.000 0.844 83 S HN 0.434 nan 8.310 nan 0.000 0.459 84 N N 2.560 121.270 118.700 0.017 0.000 2.142 84 N HA 0.064 4.804 4.740 0.000 0.000 0.186 84 N C 2.034 177.528 175.510 -0.026 0.000 1.023 84 N CA 1.473 54.485 53.050 -0.064 0.000 0.852 84 N CB -0.929 37.466 38.487 -0.153 0.000 0.998 84 N HN 0.642 nan 8.380 nan 0.000 0.424 85 A N 1.164 124.019 122.820 0.060 0.000 1.972 85 A HA -0.148 4.172 4.320 0.000 0.000 0.219 85 A C 2.033 179.676 177.584 0.098 0.000 1.169 85 A CA 0.814 52.900 52.037 0.082 0.000 0.635 85 A CB -0.956 18.116 19.000 0.121 0.000 0.810 85 A HN 0.571 nan 8.150 nan 0.000 0.446 86 W N 1.160 122.446 121.300 -0.024 0.000 2.355 86 W HA -0.197 4.463 4.660 0.000 0.000 0.309 86 W C 1.335 177.796 176.519 -0.098 0.000 1.206 86 W CA 2.010 59.342 57.345 -0.022 0.000 1.284 86 W CB -0.413 29.035 29.460 -0.021 0.000 1.145 86 W HN 0.396 nan 8.180 nan 0.000 0.502 87 N N 0.351 119.036 118.700 -0.024 0.000 2.396 87 N HA -0.140 4.600 4.740 0.000 0.000 0.180 87 N C 1.752 177.054 175.510 -0.347 0.000 1.028 87 N CA 1.928 54.854 53.050 -0.206 0.000 0.893 87 N CB -0.507 37.930 38.487 -0.084 0.000 0.967 87 N HN 0.130 nan 8.380 nan 0.000 0.440 88 S N -1.287 114.273 115.700 -0.234 0.000 2.575 88 S HA 0.069 4.539 4.470 0.000 0.000 0.215 88 S C -0.148 174.388 174.600 -0.107 0.000 0.966 88 S CA -0.294 57.807 58.200 -0.165 0.000 0.911 88 S CB -0.635 62.528 63.200 -0.063 0.000 0.780 88 S HN 0.410 nan 8.310 nan 0.000 0.514 89 H N 0.757 119.739 119.070 -0.146 0.000 2.770 89 H HA -0.128 4.428 4.556 0.000 0.000 0.309 89 H C -0.642 174.651 175.328 -0.059 0.000 1.206 89 H CA 0.374 56.328 56.048 -0.156 0.000 1.147 89 H CB -2.133 27.546 29.762 -0.139 0.000 1.422 89 H HN 0.354 nan 8.280 nan 0.000 0.420 90 S N 2.213 117.954 115.700 0.070 0.000 2.489 90 S HA 0.172 4.642 4.470 0.000 0.000 0.277 90 S C -1.893 172.759 174.600 0.085 0.000 1.230 90 S CA -1.110 57.139 58.200 0.083 0.000 1.053 90 S CB 1.141 64.392 63.200 0.086 0.000 0.955 90 S HN 0.191 nan 8.310 nan 0.000 0.488 91 P HA 0.236 nan 4.420 nan 0.000 0.260 91 P C -1.109 176.254 177.300 0.105 0.000 1.651 91 P CA -0.033 63.119 63.100 0.086 0.000 1.139 91 P CB -0.214 31.529 31.700 0.072 0.000 1.756 92 L N 4.351 125.641 121.223 0.113 0.000 2.322 92 L HA 0.514 4.854 4.340 0.000 0.000 0.281 92 L C 0.567 177.506 176.870 0.115 0.000 1.014 92 L CA -1.001 53.905 54.840 0.110 0.000 0.815 92 L CB 1.968 44.083 42.059 0.094 0.000 1.247 92 L HN 0.139 nan 8.230 nan 0.000 0.421 93 I N 4.026 124.652 120.570 0.093 0.000 2.307 93 I HA 0.209 4.379 4.170 0.000 0.000 0.287 93 I C -0.289 175.754 176.117 -0.122 0.000 1.054 93 I CA -0.474 60.856 61.300 0.049 0.000 1.218 93 I CB 1.329 39.408 38.000 0.131 0.000 1.398 93 I HN 0.230 nan 8.210 nan 0.000 0.475 94 V N 5.302 125.203 119.914 -0.022 0.000 2.364 94 V HA 0.326 4.446 4.120 0.000 0.000 0.272 94 V C 0.595 176.593 176.094 -0.160 0.000 1.036 94 V CA -0.392 61.882 62.300 -0.042 0.000 0.880 94 V CB 1.148 33.082 31.823 0.185 0.000 0.991 94 V HN 0.800 nan 8.190 nan 0.000 0.460 95 T N 2.341 116.710 114.554 -0.308 0.000 2.888 95 T HA 0.886 5.236 4.350 0.000 0.000 0.284 95 T C -0.408 174.166 174.700 -0.209 0.000 1.017 95 T CA -0.503 61.404 62.100 -0.321 0.000 1.022 95 T CB 2.059 70.727 68.868 -0.333 0.000 1.013 95 T HN 1.022 nan 8.240 nan 0.000 0.465 96 A N 1.443 124.113 122.820 -0.250 0.000 2.449 96 A HA 0.872 5.192 4.320 0.000 0.000 0.302 96 A C 0.202 177.771 177.584 -0.025 0.000 1.048 96 A CA -0.685 51.305 52.037 -0.077 0.000 0.708 96 A CB 1.419 20.416 19.000 -0.005 0.000 1.274 96 A HN 1.339 nan 8.150 nan 0.000 0.410 97 G N 0.104 108.958 108.800 0.090 0.000 2.444 97 G HA2 0.500 4.460 3.960 0.000 0.000 0.268 97 G HA3 0.500 4.460 3.960 0.000 0.000 0.268 97 G C -0.293 174.670 174.900 0.106 0.000 1.203 97 G CA -0.135 45.068 45.100 0.172 0.000 0.835 97 G HN 0.847 nan 8.290 nan 0.000 0.543 98 Q N 0.136 120.008 119.800 0.120 0.000 2.297 98 Q HA 0.342 4.682 4.340 0.000 0.000 0.269 98 Q C 0.267 176.349 176.000 0.137 0.000 1.051 98 Q CA -0.677 55.165 55.803 0.065 0.000 0.869 98 Q CB 1.129 29.857 28.738 -0.016 0.000 1.346 98 Q HN 0.485 nan 8.270 nan 0.000 0.457 99 Q N 0.423 120.276 119.800 0.088 0.000 2.540 99 Q HA 0.040 4.380 4.340 0.000 0.000 0.256 99 Q C -0.419 175.473 176.000 -0.179 0.000 1.084 99 Q CA 0.402 56.251 55.803 0.077 0.000 0.956 99 Q CB 0.512 29.278 28.738 0.046 0.000 1.303 99 Q HN 0.840 nan 8.270 nan 0.000 0.509 100 T N 0.553 114.785 114.554 -0.537 0.000 2.932 100 T HA 0.004 4.354 4.350 0.000 0.000 0.312 100 T C 1.349 175.874 174.700 -0.291 0.000 1.071 100 T CA 0.105 61.792 62.100 -0.688 0.000 1.128 100 T CB 0.400 68.734 68.868 -0.890 0.000 0.984 100 T HN 0.486 nan 8.240 nan 0.000 0.549 101 R N 2.859 123.218 120.500 -0.235 0.000 2.127 101 R HA -0.075 4.265 4.340 0.000 0.000 0.238 101 R C 2.489 178.724 176.300 -0.108 0.000 1.134 101 R CA 1.341 57.354 56.100 -0.145 0.000 0.975 101 R CB -0.459 29.767 30.300 -0.124 0.000 0.865 101 R HN 0.725 nan 8.270 nan 0.000 0.447 102 A N 0.218 122.973 122.820 -0.108 0.000 2.172 102 A HA -0.049 4.271 4.320 0.000 0.000 0.216 102 A C 1.681 179.235 177.584 -0.051 0.000 1.154 102 A CA 0.992 52.989 52.037 -0.066 0.000 0.701 102 A CB -0.118 18.850 19.000 -0.053 0.000 0.789 102 A HN 0.215 nan 8.150 nan 0.000 0.465 103 M N -1.409 118.154 119.600 -0.062 0.000 2.306 103 M HA 0.322 4.802 4.480 0.000 0.000 0.292 103 M C 1.069 177.353 176.300 -0.026 0.000 1.018 103 M CA 0.084 55.367 55.300 -0.029 0.000 1.007 103 M CB 0.284 32.882 32.600 -0.004 0.000 1.510 103 M HN 0.277 nan 8.290 nan 0.000 0.537 104 I N 0.386 120.930 120.570 -0.044 0.000 2.315 104 I HA -0.135 4.035 4.170 0.000 0.000 0.248 104 I C 2.487 178.586 176.117 -0.029 0.000 1.117 104 I CA 1.445 62.722 61.300 -0.038 0.000 1.404 104 I CB -0.534 37.431 38.000 -0.057 0.000 1.071 104 I HN 0.400 nan 8.210 nan 0.000 0.419 105 G N 0.983 109.765 108.800 -0.030 0.000 2.418 105 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 105 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 105 G C 1.677 176.568 174.900 -0.015 0.000 1.158 105 G CA 1.193 46.279 45.100 -0.023 0.000 0.771 105 G HN 0.400 nan 8.290 nan 0.000 0.545 106 V N -1.915 117.992 119.914 -0.011 0.000 3.305 106 V HA 0.186 4.306 4.120 0.000 0.000 0.269 106 V C 0.691 176.784 176.094 -0.001 0.000 1.157 106 V CA 1.108 63.406 62.300 -0.004 0.000 1.157 106 V CB -0.875 30.948 31.823 0.000 0.000 0.772 106 V HN 0.543 nan 8.190 nan 0.000 0.498 107 E N -0.100 120.098 120.200 -0.003 0.000 2.246 107 E HA -0.198 4.152 4.350 0.000 0.000 0.211 107 E C 0.627 177.234 176.600 0.012 0.000 1.278 107 E CA 0.186 56.586 56.400 0.001 0.000 0.694 107 E CB -1.591 28.108 29.700 -0.002 0.000 1.166 107 E HN 1.085 nan 8.360 nan 0.000 0.370 108 A N 0.903 123.734 122.820 0.018 0.000 2.492 108 A HA 0.236 4.556 4.320 0.000 0.000 0.236 108 A C 0.520 178.129 177.584 0.042 0.000 1.078 108 A CA -0.183 51.874 52.037 0.033 0.000 0.773 108 A CB 0.355 19.382 19.000 0.045 0.000 1.023 108 A HN 0.389 nan 8.150 nan 0.000 0.504 109 L N 1.272 122.525 121.223 0.050 0.000 2.593 109 L HA 0.049 4.389 4.340 0.000 0.000 0.287 109 L C 0.817 177.735 176.870 0.079 0.000 1.243 109 L CA 1.538 56.413 54.840 0.059 0.000 0.890 109 L CB -0.423 41.674 42.059 0.064 0.000 1.134 109 L HN 0.741 nan 8.230 nan 0.000 0.502 110 L N 1.732 122.997 121.223 0.071 0.000 4.950 110 L HA -0.217 4.123 4.340 0.000 0.000 0.413 110 L C 0.368 177.258 176.870 0.034 0.000 1.020 110 L CA 0.369 55.250 54.840 0.067 0.000 1.239 110 L CB -2.751 39.405 42.059 0.162 0.000 2.004 110 L HN 0.731 nan 8.230 nan 0.000 0.658 111 T N 1.083 115.655 114.554 0.030 0.000 2.870 111 T HA 0.149 4.499 4.350 0.000 0.000 0.300 111 T C 0.690 175.385 174.700 -0.009 0.000 0.989 111 T CA 0.065 62.171 62.100 0.011 0.000 1.139 111 T CB 0.956 69.827 68.868 0.005 0.000 0.920 111 T HN 0.182 nan 8.240 nan 0.000 0.537 112 N N 3.903 122.594 118.700 -0.015 0.000 2.521 112 N HA 0.132 4.872 4.740 0.000 0.000 0.236 112 N C -0.566 174.934 175.510 -0.016 0.000 1.067 112 N CA -0.308 52.734 53.050 -0.014 0.000 0.939 112 N CB 0.187 38.675 38.487 0.002 0.000 1.201 112 N HN 0.273 nan 8.380 nan 0.000 0.511 113 V N 3.301 123.203 119.914 -0.019 0.000 2.572 113 V HA 0.026 4.146 4.120 0.000 0.000 0.291 113 V C 0.784 176.860 176.094 -0.030 0.000 1.039 113 V CA -0.155 62.130 62.300 -0.025 0.000 1.055 113 V CB 0.609 32.419 31.823 -0.022 0.000 0.969 113 V HN 0.741 nan 8.190 nan 0.000 0.482 114 D N 3.352 123.730 120.400 -0.038 0.000 2.708 114 D HA -0.242 4.398 4.640 0.000 0.000 0.236 114 D C 1.291 177.568 176.300 -0.040 0.000 1.146 114 D CA 0.945 54.919 54.000 -0.044 0.000 0.662 114 D CB -0.626 40.148 40.800 -0.042 0.000 1.059 114 D HN 0.810 nan 8.370 nan 0.000 0.428 115 A N 0.449 123.254 122.820 -0.025 0.000 1.892 115 A HA -0.016 4.304 4.320 0.000 0.000 0.218 115 A C 2.486 180.107 177.584 0.061 0.000 1.188 115 A CA 2.687 54.744 52.037 0.034 0.000 0.631 115 A CB -0.761 18.265 19.000 0.044 0.000 0.822 115 A HN 0.828 nan 8.150 nan 0.000 0.447 116 A N -0.627 122.193 122.820 -0.000 0.000 2.121 116 A HA -0.117 4.203 4.320 0.000 0.000 0.218 116 A C 1.765 179.311 177.584 -0.063 0.000 1.154 116 A CA 1.533 53.566 52.037 -0.006 0.000 0.679 116 A CB -0.483 18.462 19.000 -0.092 0.000 0.795 116 A HN 0.537 nan 8.150 nan 0.000 0.458 117 N N -0.523 118.132 118.700 -0.075 0.000 2.446 117 N HA -0.026 4.714 4.740 0.000 0.000 0.179 117 N C 1.442 176.872 175.510 -0.134 0.000 1.054 117 N CA 0.582 53.575 53.050 -0.096 0.000 0.905 117 N CB -0.211 38.231 38.487 -0.075 0.000 0.973 117 N HN 0.440 nan 8.380 nan 0.000 0.448 118 L N 2.564 123.693 121.223 -0.156 0.000 1.989 118 L HA -0.042 4.298 4.340 0.000 0.000 0.211 118 L C -1.004 175.706 176.870 -0.266 0.000 1.071 118 L CA 2.090 56.812 54.840 -0.196 0.000 0.749 118 L CB -1.328 40.617 42.059 -0.190 0.000 0.890 118 L HN 0.093 nan 8.230 nan 0.000 0.431 119 P HA -0.045 nan 4.420 nan 0.000 0.245 119 P C -0.126 177.023 177.300 -0.252 0.000 1.206 119 P CA 0.270 63.147 63.100 -0.372 0.000 0.781 119 P CB -0.075 31.277 31.700 -0.581 0.000 0.994 120 R N 2.072 122.442 120.500 -0.216 0.000 2.590 120 R HA 0.140 4.480 4.340 0.000 0.000 0.274 120 R C -1.391 174.786 176.300 -0.205 0.000 1.061 120 R CA -0.900 55.083 56.100 -0.196 0.000 1.081 120 R CB -0.209 30.001 30.300 -0.149 0.000 0.984 120 R HN 0.118 nan 8.270 nan 0.000 0.448 121 P HA 0.111 nan 4.420 nan 0.000 0.254 121 P C 0.084 177.013 177.300 -0.617 0.000 1.620 121 P CA 0.293 63.177 63.100 -0.360 0.000 1.050 121 P CB 0.310 31.810 31.700 -0.332 0.000 1.539 122 L N -0.088 120.866 121.223 -0.448 0.000 2.653 122 L HA 0.186 4.526 4.340 0.000 0.000 0.231 122 L C 0.812 177.621 176.870 -0.101 0.000 1.153 122 L CA -0.245 54.339 54.840 -0.427 0.000 0.933 122 L CB 0.261 42.205 42.059 -0.192 0.000 1.175 122 L HN -0.102 nan 8.230 nan 0.000 0.473 123 V N -4.958 114.898 119.914 -0.097 0.000 2.962 123 V HA 0.386 4.506 4.120 0.000 0.000 0.313 123 V C 0.613 176.926 176.094 0.365 0.000 1.099 123 V CA -1.003 61.431 62.300 0.223 0.000 0.971 123 V CB 2.180 34.086 31.823 0.137 0.000 1.028 123 V HN 0.043 nan 8.190 nan 0.000 0.430 124 K N 0.891 121.598 120.400 0.511 0.000 2.228 124 K HA 0.132 4.452 4.320 0.000 0.000 0.202 124 K C -0.280 176.568 176.600 0.414 0.000 1.051 124 K CA 1.403 57.970 56.287 0.468 0.000 0.960 124 K CB 0.197 32.902 32.500 0.341 0.000 0.743 124 K HN 0.741 nan 8.250 nan 0.000 0.458 125 W N -0.121 121.272 121.300 0.156 0.000 3.573 125 W HA 0.335 4.995 4.660 0.000 0.000 0.306 125 W C -1.734 174.876 176.519 0.153 0.000 1.227 125 W CA -0.664 56.751 57.345 0.117 0.000 1.212 125 W CB 1.868 31.374 29.460 0.078 0.000 1.331 125 W HN -0.336 nan 8.180 nan 0.000 0.524 126 S N 4.862 120.272 115.700 -0.483 0.000 2.572 126 S HA 0.743 5.213 4.470 0.000 0.000 0.274 126 S C -2.265 172.017 174.600 -0.530 0.000 1.150 126 S CA -0.340 57.668 58.200 -0.320 0.000 0.944 126 S CB 0.814 63.966 63.200 -0.080 0.000 1.071 126 S HN 0.539 nan 8.310 nan 0.000 0.479 127 Y N 2.042 121.959 120.300 -0.639 0.000 2.592 127 Y HA 0.552 5.102 4.550 0.000 0.000 0.334 127 Y C -1.436 174.259 175.900 -0.341 0.000 1.136 127 Y CA -0.654 57.068 58.100 -0.631 0.000 1.042 127 Y CB 1.606 39.371 38.460 -1.159 0.000 1.325 127 Y HN 0.714 nan 8.280 nan 0.000 0.457 128 E N 6.003 125.711 120.200 -0.820 0.000 2.241 128 E HA 0.512 4.862 4.350 0.000 0.000 0.263 128 E C -2.890 173.175 176.600 -0.892 0.000 0.882 128 E CA -2.482 53.548 56.400 -0.616 0.000 0.769 128 E CB 2.004 31.479 29.700 -0.374 0.000 1.185 128 E HN 0.318 nan 8.360 nan 0.000 0.415 129 P HA 0.109 nan 4.420 nan 0.000 0.272 129 P C -0.337 176.835 177.300 -0.214 0.000 1.223 129 P CA -0.010 62.934 63.100 -0.259 0.000 0.784 129 P CB 1.083 32.768 31.700 -0.024 0.000 0.923 130 A N 1.023 123.785 122.820 -0.096 0.000 2.208 130 A HA 0.241 4.561 4.320 0.000 0.000 0.209 130 A C 0.606 178.159 177.584 -0.051 0.000 1.161 130 A CA 1.023 53.017 52.037 -0.071 0.000 0.782 130 A CB -0.579 18.412 19.000 -0.015 0.000 0.816 130 A HN 0.619 nan 8.150 nan 0.000 0.477 131 S N -4.040 111.634 115.700 -0.042 0.000 2.587 131 S HA 0.615 5.085 4.470 0.000 0.000 0.269 131 S C 0.673 175.236 174.600 -0.060 0.000 1.154 131 S CA -0.059 58.115 58.200 -0.044 0.000 0.824 131 S CB 0.988 64.181 63.200 -0.012 0.000 1.118 131 S HN 0.940 nan 8.310 nan 0.000 0.462 132 A N 1.383 124.159 122.820 -0.074 0.000 1.883 132 A HA 0.245 4.565 4.320 0.000 0.000 0.217 132 A C 2.285 179.835 177.584 -0.057 0.000 1.186 132 A CA 2.091 54.067 52.037 -0.102 0.000 0.624 132 A CB -1.608 17.339 19.000 -0.087 0.000 0.822 132 A HN 1.753 nan 8.150 nan 0.000 0.444 133 A N -0.756 122.058 122.820 -0.009 0.000 2.125 133 A HA -0.135 4.185 4.320 0.000 0.000 0.219 133 A C 1.900 179.514 177.584 0.050 0.000 1.156 133 A CA 1.573 53.625 52.037 0.025 0.000 0.671 133 A CB -0.447 18.572 19.000 0.031 0.000 0.794 133 A HN 0.680 nan 8.150 nan 0.000 0.459 134 E N -0.180 120.054 120.200 0.056 0.000 2.427 134 E HA -0.027 4.323 4.350 0.000 0.000 0.196 134 E C 1.529 178.201 176.600 0.120 0.000 1.028 134 E CA 0.559 57.032 56.400 0.122 0.000 0.864 134 E CB -0.036 29.749 29.700 0.141 0.000 0.813 134 E HN 0.364 nan 8.360 nan 0.000 0.514 135 V N 1.664 121.596 119.914 0.030 0.000 2.287 135 V HA -0.203 3.917 4.120 0.000 0.000 0.248 135 V C -0.797 175.353 176.094 0.094 0.000 1.053 135 V CA 2.090 64.385 62.300 -0.008 0.000 1.027 135 V CB -1.187 30.501 31.823 -0.226 0.000 0.646 135 V HN 0.289 nan 8.190 nan 0.000 0.447 136 P HA -0.177 nan 4.420 nan 0.000 0.216 136 P C 1.682 179.110 177.300 0.212 0.000 1.153 136 P CA 1.591 64.802 63.100 0.186 0.000 0.848 136 P CB -0.186 31.628 31.700 0.189 0.000 0.787 137 H N -0.385 118.734 119.070 0.081 0.000 2.353 137 H HA -0.089 4.467 4.556 0.000 0.000 0.300 137 H C 1.754 177.129 175.328 0.079 0.000 1.090 137 H CA 1.223 57.308 56.048 0.061 0.000 1.327 137 H CB -0.096 29.690 29.762 0.040 0.000 1.383 137 H HN -0.018 nan 8.280 nan 0.000 0.508 138 A N 0.962 123.828 122.820 0.077 0.000 1.933 138 A HA -0.198 4.122 4.320 0.000 0.000 0.218 138 A C 2.384 180.076 177.584 0.180 0.000 1.175 138 A CA 1.684 53.800 52.037 0.132 0.000 0.628 138 A CB -0.638 18.565 19.000 0.338 0.000 0.814 138 A HN 0.506 nan 8.150 nan 0.000 0.444 139 M N -0.184 119.521 119.600 0.175 0.000 2.117 139 M HA -0.076 4.404 4.480 0.000 0.000 0.262 139 M C 2.280 178.646 176.300 0.110 0.000 1.065 139 M CA 2.050 57.460 55.300 0.183 0.000 1.114 139 M CB -0.573 32.148 32.600 0.203 0.000 1.361 139 M HN 0.392 nan 8.290 nan 0.000 0.408 140 S N -0.167 115.590 115.700 0.095 0.000 2.370 140 S HA -0.182 4.288 4.470 0.000 0.000 0.226 140 S C 2.062 176.641 174.600 -0.036 0.000 1.033 140 S CA 1.652 59.885 58.200 0.056 0.000 1.011 140 S CB -0.211 63.101 63.200 0.186 0.000 0.852 140 S HN 0.618 nan 8.310 nan 0.000 0.457 141 R N 0.637 121.044 120.500 -0.155 0.000 2.091 141 R HA -0.033 4.307 4.340 0.000 0.000 0.238 141 R C 2.653 178.680 176.300 -0.456 0.000 1.136 141 R CA 1.371 57.201 56.100 -0.450 0.000 0.959 141 R CB -0.603 29.140 30.300 -0.927 0.000 0.856 141 R HN 0.515 nan 8.270 nan 0.000 0.437 142 A N 1.214 123.931 122.820 -0.171 0.000 1.877 142 A HA -0.140 4.180 4.320 0.000 0.000 0.216 142 A C 2.162 179.760 177.584 0.024 0.000 1.186 142 A CA 1.210 53.307 52.037 0.099 0.000 0.620 142 A CB -0.489 18.693 19.000 0.304 0.000 0.822 142 A HN 0.174 nan 8.150 nan 0.000 0.443 143 I N -0.882 119.659 120.570 -0.048 0.000 2.163 143 I HA -0.302 3.868 4.170 0.000 0.000 0.243 143 I C 2.490 178.485 176.117 -0.202 0.000 1.085 143 I CA 1.547 62.769 61.300 -0.130 0.000 1.347 143 I CB -0.536 37.304 38.000 -0.267 0.000 1.044 143 I HN 0.406 nan 8.210 nan 0.000 0.408 144 H N -0.221 118.826 119.070 -0.039 0.000 2.395 144 H HA -0.033 4.523 4.556 0.000 0.000 0.299 144 H C 2.340 177.615 175.328 -0.090 0.000 1.070 144 H CA 1.117 57.120 56.048 -0.074 0.000 1.356 144 H CB -0.188 29.511 29.762 -0.106 0.000 1.401 144 H HN 0.252 nan 8.280 nan 0.000 0.524 145 M N 0.464 120.040 119.600 -0.040 0.000 2.149 145 M HA -0.071 4.409 4.480 0.000 0.000 0.261 145 M C 2.522 178.849 176.300 0.044 0.000 1.064 145 M CA 1.091 56.369 55.300 -0.036 0.000 1.102 145 M CB -1.032 31.510 32.600 -0.096 0.000 1.369 145 M HN 0.222 nan 8.290 nan 0.000 0.408 146 A N -0.881 121.978 122.820 0.065 0.000 1.969 146 A HA -0.062 4.258 4.320 0.000 0.000 0.218 146 A C 2.418 180.032 177.584 0.051 0.000 1.169 146 A CA 1.887 53.974 52.037 0.085 0.000 0.635 146 A CB -0.496 18.566 19.000 0.104 0.000 0.810 146 A HN 0.494 nan 8.150 nan 0.000 0.445 147 S N -0.849 114.874 115.700 0.038 0.000 2.470 147 S HA 0.243 4.713 4.470 0.000 0.000 0.222 147 S C 0.838 175.443 174.600 0.009 0.000 1.024 147 S CA -0.026 58.192 58.200 0.030 0.000 0.931 147 S CB -0.151 63.072 63.200 0.040 0.000 0.791 147 S HN 0.524 nan 8.310 nan 0.000 0.513 148 M N 1.840 121.442 119.600 0.003 0.000 2.243 148 M HA 0.309 4.789 4.480 0.000 0.000 0.341 148 M C 0.323 176.590 176.300 -0.056 0.000 1.130 148 M CA -0.404 54.880 55.300 -0.027 0.000 1.162 148 M CB 0.435 33.016 32.600 -0.031 0.000 1.497 148 M HN 0.159 nan 8.290 nan 0.000 0.456 149 A N 4.473 127.248 122.820 -0.075 0.000 2.477 149 A HA 0.384 4.704 4.320 0.000 0.000 0.246 149 A C -2.223 175.280 177.584 -0.134 0.000 1.078 149 A CA -1.105 50.858 52.037 -0.124 0.000 0.770 149 A CB -0.749 18.185 19.000 -0.109 0.000 1.011 149 A HN 0.509 nan 8.150 nan 0.000 0.494 150 P HA 0.140 nan 4.420 nan 0.000 0.282 150 P C -0.512 176.614 177.300 -0.289 0.000 1.274 150 P CA -0.096 62.761 63.100 -0.405 0.000 0.770 150 P CB 0.605 31.969 31.700 -0.560 0.000 0.867 151 Q N 1.187 120.852 119.800 -0.225 0.000 2.474 151 Q HA 0.479 4.819 4.340 0.000 0.000 0.256 151 Q C 0.735 176.714 176.000 -0.034 0.000 1.048 151 Q CA 0.494 56.253 55.803 -0.074 0.000 0.922 151 Q CB 0.378 29.105 28.738 -0.019 0.000 1.288 151 Q HN 0.747 nan 8.270 nan 0.000 0.484 152 G N 0.707 109.522 108.800 0.024 0.000 2.349 152 G HA2 0.308 4.268 3.960 0.000 0.000 0.294 152 G HA3 0.308 4.268 3.960 0.000 0.000 0.294 152 G C -3.103 171.880 174.900 0.138 0.000 1.380 152 G CA -0.919 44.210 45.100 0.049 0.000 0.811 152 G HN 0.367 nan 8.290 nan 0.000 0.519 153 P HA 0.506 nan 4.420 nan 0.000 0.274 153 P C -0.087 177.371 177.300 0.262 0.000 1.231 153 P CA -0.292 62.938 63.100 0.217 0.000 0.790 153 P CB 1.650 33.480 31.700 0.218 0.000 0.951 154 V N -0.560 119.504 119.914 0.250 0.000 3.130 154 V HA 0.688 4.808 4.120 0.000 0.000 0.310 154 V C -1.752 174.526 176.094 0.307 0.000 1.158 154 V CA -1.029 61.458 62.300 0.312 0.000 1.029 154 V CB 2.240 34.289 31.823 0.377 0.000 1.057 154 V HN 0.502 nan 8.190 nan 0.000 0.436 155 Y N 2.150 122.514 120.300 0.107 0.000 2.421 155 Y HA 0.840 5.390 4.550 0.000 0.000 0.339 155 Y C -1.483 174.401 175.900 -0.028 0.000 0.996 155 Y CA -1.151 56.957 58.100 0.013 0.000 1.046 155 Y CB 2.090 40.528 38.460 -0.036 0.000 1.226 155 Y HN 0.943 nan 8.280 nan 0.000 0.445 156 L N 5.115 126.069 121.223 -0.449 0.000 2.409 156 L HA 0.649 4.989 4.340 0.000 0.000 0.272 156 L C -1.163 175.352 176.870 -0.591 0.000 0.980 156 L CA -0.216 54.404 54.840 -0.367 0.000 0.826 156 L CB 2.031 44.051 42.059 -0.065 0.000 1.268 156 L HN 0.571 nan 8.230 nan 0.000 0.407 157 S N 4.095 119.505 115.700 -0.483 0.000 2.451 157 S HA 0.844 5.314 4.470 0.000 0.000 0.301 157 S C -1.117 173.357 174.600 -0.209 0.000 1.116 157 S CA -0.444 57.542 58.200 -0.357 0.000 1.093 157 S CB 1.024 64.070 63.200 -0.255 0.000 1.017 157 S HN 0.465 nan 8.310 nan 0.000 0.482 158 V N 7.432 127.273 119.914 -0.121 0.000 2.482 158 V HA 0.422 4.542 4.120 0.000 0.000 0.295 158 V C -2.437 173.621 176.094 -0.060 0.000 1.026 158 V CA -2.014 60.202 62.300 -0.140 0.000 0.856 158 V CB 1.638 33.370 31.823 -0.151 0.000 1.001 158 V HN 0.740 nan 8.190 nan 0.000 0.424 159 P HA -0.038 nan 4.420 nan 0.000 0.264 159 P C 0.242 177.527 177.300 -0.026 0.000 1.183 159 P CA 0.189 63.233 63.100 -0.094 0.000 0.763 159 P CB 0.200 31.798 31.700 -0.170 0.000 0.807 160 Y N 2.874 123.234 120.300 0.100 0.000 2.421 160 Y HA -0.131 4.419 4.550 0.000 0.000 0.292 160 Y C 1.440 177.477 175.900 0.228 0.000 1.136 160 Y CA 1.250 59.508 58.100 0.263 0.000 1.255 160 Y CB -1.291 37.331 38.460 0.269 0.000 0.991 160 Y HN 0.286 nan 8.280 nan 0.000 0.552 161 D N -0.437 119.934 120.400 -0.049 0.000 2.347 161 D HA -0.150 4.490 4.640 0.000 0.000 0.215 161 D C 0.743 177.047 176.300 0.007 0.000 0.976 161 D CA 0.820 54.830 54.000 0.016 0.000 0.884 161 D CB -0.378 40.332 40.800 -0.151 0.000 0.915 161 D HN 0.363 nan 8.370 nan 0.000 0.526 162 D N 0.442 120.755 120.400 -0.145 0.000 2.183 162 D HA -0.096 4.544 4.640 0.000 0.000 0.203 162 D C 1.598 177.805 176.300 -0.156 0.000 0.969 162 D CA 0.598 54.450 54.000 -0.247 0.000 0.842 162 D CB -0.551 39.958 40.800 -0.486 0.000 0.957 162 D HN 0.437 nan 8.370 nan 0.000 0.484 163 W N 1.247 122.658 121.300 0.185 0.000 2.374 163 W HA -0.076 4.584 4.660 0.000 0.000 0.288 163 W C 1.535 178.182 176.519 0.215 0.000 1.218 163 W CA 0.346 57.842 57.345 0.250 0.000 1.245 163 W CB 0.008 29.686 29.460 0.363 0.000 1.126 163 W HN -0.125 nan 8.180 nan 0.000 0.545 164 D N -0.246 120.358 120.400 0.341 0.000 2.340 164 D HA -0.019 4.621 4.640 0.000 0.000 0.220 164 D C 0.827 177.217 176.300 0.150 0.000 1.039 164 D CA 0.643 54.776 54.000 0.221 0.000 0.866 164 D CB -0.130 40.774 40.800 0.173 0.000 0.913 164 D HN -0.082 nan 8.370 nan 0.000 0.523 165 K N 1.369 121.843 120.400 0.124 0.000 2.180 165 K HA 0.103 4.423 4.320 0.000 0.000 0.251 165 K C 0.102 176.757 176.600 0.092 0.000 1.014 165 K CA -0.376 55.958 56.287 0.079 0.000 0.913 165 K CB 0.491 33.013 32.500 0.036 0.000 1.008 165 K HN -0.073 nan 8.250 nan 0.000 0.490 166 D N 0.668 121.111 120.400 0.072 0.000 2.424 166 D HA 0.132 4.772 4.640 0.000 0.000 0.244 166 D C 0.106 176.454 176.300 0.079 0.000 1.134 166 D CA 0.169 54.215 54.000 0.078 0.000 0.881 166 D CB 0.654 41.491 40.800 0.060 0.000 1.191 166 D HN 0.455 nan 8.370 nan 0.000 0.445 167 A N 1.932 124.813 122.820 0.101 0.000 2.332 167 A HA 0.183 4.503 4.320 0.000 0.000 0.258 167 A C 0.224 177.854 177.584 0.077 0.000 1.087 167 A CA -0.530 51.567 52.037 0.101 0.000 0.802 167 A CB 0.425 19.509 19.000 0.141 0.000 1.042 167 A HN 0.493 nan 8.150 nan 0.000 0.489 168 D N 0.894 121.332 120.400 0.063 0.000 2.383 168 D HA 0.272 4.912 4.640 0.000 0.000 0.252 168 D C -1.723 174.608 176.300 0.051 0.000 1.166 168 D CA -1.668 52.359 54.000 0.045 0.000 0.879 168 D CB 0.998 41.812 40.800 0.024 0.000 1.164 168 D HN 0.089 nan 8.370 nan 0.000 0.462 169 P HA -0.117 nan 4.420 nan 0.000 0.221 169 P C 0.936 178.300 177.300 0.105 0.000 1.145 169 P CA 0.812 63.966 63.100 0.090 0.000 0.795 169 P CB 0.245 31.997 31.700 0.086 0.000 0.775 170 Q N -1.069 118.756 119.800 0.042 0.000 2.488 170 Q HA 0.047 4.387 4.340 0.000 0.000 0.211 170 Q C 1.782 177.684 176.000 -0.163 0.000 0.967 170 Q CA 0.707 56.499 55.803 -0.018 0.000 0.926 170 Q CB -0.652 28.093 28.738 0.012 0.000 0.992 170 Q HN 0.259 nan 8.270 nan 0.000 0.506 171 S N 0.573 116.190 115.700 -0.138 0.000 2.500 171 S HA -0.125 4.345 4.470 0.000 0.000 0.239 171 S C 1.574 175.841 174.600 -0.554 0.000 0.989 171 S CA 0.721 58.788 58.200 -0.221 0.000 0.951 171 S CB -0.348 62.806 63.200 -0.078 0.000 0.759 171 S HN 0.608 nan 8.310 nan 0.000 0.523 172 H N 0.391 119.106 119.070 -0.592 0.000 2.456 172 H HA -0.058 4.498 4.556 0.000 0.000 0.296 172 H C 1.317 176.198 175.328 -0.744 0.000 1.079 172 H CA 1.331 56.751 56.048 -1.048 0.000 1.322 172 H CB -0.631 28.832 29.762 -0.497 0.000 1.388 172 H HN 0.527 nan 8.280 nan 0.000 0.538 173 H N 0.916 119.493 119.070 -0.822 0.000 2.521 173 H HA 0.011 4.568 4.556 0.000 0.000 0.286 173 H C 2.394 177.581 175.328 -0.234 0.000 1.034 173 H CA 0.849 56.627 56.048 -0.450 0.000 1.278 173 H CB 0.349 29.856 29.762 -0.424 0.000 1.386 173 H HN 0.403 nan 8.280 nan 0.000 0.567 174 L N -0.424 120.693 121.223 -0.176 0.000 2.217 174 L HA -0.119 4.221 4.340 0.000 0.000 0.211 174 L C 2.114 179.083 176.870 0.164 0.000 1.107 174 L CA 0.435 55.279 54.840 0.007 0.000 0.783 174 L CB -0.419 41.658 42.059 0.030 0.000 0.919 174 L HN 0.072 nan 8.230 nan 0.000 0.442 175 F N 0.447 120.467 119.950 0.117 0.000 2.134 175 F HA -0.204 4.323 4.527 0.000 0.000 0.299 175 F C 1.842 177.716 175.800 0.122 0.000 1.097 175 F CA 1.028 59.099 58.000 0.117 0.000 1.264 175 F CB -0.554 38.512 39.000 0.109 0.000 1.001 175 F HN 0.131 nan 8.300 nan 0.000 0.479 176 D N -0.490 120.096 120.400 0.309 0.000 2.424 176 D HA 0.071 4.711 4.640 0.000 0.000 0.220 176 D C 0.325 176.743 176.300 0.197 0.000 1.150 176 D CA -0.053 54.083 54.000 0.228 0.000 0.831 176 D CB -0.002 40.911 40.800 0.189 0.000 0.981 176 D HN 0.111 nan 8.370 nan 0.000 0.500 177 R N 1.047 121.665 120.500 0.198 0.000 2.538 177 R HA 0.045 4.385 4.340 0.000 0.000 0.282 177 R C 0.428 176.822 176.300 0.157 0.000 1.009 177 R CA 0.326 56.507 56.100 0.136 0.000 1.063 177 R CB 0.573 30.920 30.300 0.077 0.000 0.945 177 R HN 0.175 nan 8.270 nan 0.000 0.414 178 H N 3.052 122.133 119.070 0.019 0.000 2.511 178 H HA 0.295 4.851 4.556 0.000 0.000 0.328 178 H C -1.332 173.958 175.328 -0.064 0.000 1.044 178 H CA -0.600 55.459 56.048 0.018 0.000 1.212 178 H CB 1.135 30.913 29.762 0.026 0.000 1.428 178 H HN 0.207 nan 8.280 nan 0.000 0.483 179 V N 4.541 124.183 119.914 -0.455 0.000 2.409 179 V HA 0.191 4.311 4.120 0.000 0.000 0.291 179 V C 0.142 176.045 176.094 -0.317 0.000 1.020 179 V CA -0.610 61.491 62.300 -0.331 0.000 0.848 179 V CB 1.505 33.080 31.823 -0.413 0.000 0.990 179 V HN 0.757 nan 8.190 nan 0.000 0.430 180 S N 2.763 118.384 115.700 -0.131 0.000 2.472 180 S HA 0.537 5.007 4.470 0.000 0.000 0.303 180 S C 0.535 175.115 174.600 -0.034 0.000 1.099 180 S CA -0.068 58.104 58.200 -0.046 0.000 1.077 180 S CB 1.568 64.827 63.200 0.099 0.000 1.031 180 S HN 0.932 nan 8.310 nan 0.000 0.487 181 S N 2.415 118.096 115.700 -0.031 0.000 2.741 181 S HA 0.206 4.676 4.470 0.000 0.000 0.247 181 S C 0.229 174.819 174.600 -0.016 0.000 1.050 181 S CA -0.463 57.719 58.200 -0.029 0.000 1.025 181 S CB 0.320 63.495 63.200 -0.043 0.000 0.897 181 S HN 0.499 nan 8.310 nan 0.000 0.508 182 S N 2.706 118.408 115.700 0.003 0.000 3.919 182 S HA 0.437 4.907 4.470 0.000 0.000 0.245 182 S C 0.191 174.794 174.600 0.005 0.000 1.344 182 S CA -0.402 57.803 58.200 0.009 0.000 0.896 182 S CB -1.114 62.104 63.200 0.030 0.000 1.557 182 S HN 0.636 nan 8.310 nan 0.000 0.468 183 V N 2.775 122.687 119.914 -0.005 0.000 2.960 183 V HA 0.979 5.099 4.120 0.000 0.000 0.315 183 V C -0.702 175.388 176.094 -0.008 0.000 1.087 183 V CA -1.400 60.896 62.300 -0.006 0.000 0.982 183 V CB 1.880 33.696 31.823 -0.012 0.000 1.039 183 V HN 0.732 nan 8.190 nan 0.000 0.437 184 R N 1.954 122.450 120.500 -0.007 0.000 2.799 184 R HA 0.766 5.106 4.340 0.000 0.000 0.270 184 R C -1.033 175.263 176.300 -0.007 0.000 1.010 184 R CA -0.985 55.111 56.100 -0.007 0.000 0.916 184 R CB 0.793 31.091 30.300 -0.003 0.000 1.228 184 R HN 0.801 nan 8.270 nan 0.000 0.469 185 L N 2.156 123.374 121.223 -0.008 0.000 2.525 185 L HA 0.143 4.483 4.340 0.000 0.000 0.278 185 L C -0.361 176.505 176.870 -0.006 0.000 1.218 185 L CA 0.458 55.293 54.840 -0.008 0.000 0.878 185 L CB -0.113 41.942 42.059 -0.008 0.000 1.127 185 L HN 0.916 nan 8.230 nan 0.000 0.492 186 N N 2.064 120.760 118.700 -0.006 0.000 2.305 186 N HA -0.078 4.662 4.740 0.000 0.000 0.232 186 N C 0.457 175.965 175.510 -0.003 0.000 1.274 186 N CA 0.218 53.265 53.050 -0.005 0.000 0.870 186 N CB 0.247 38.730 38.487 -0.005 0.000 1.105 186 N HN 0.615 nan 8.380 nan 0.000 0.436 187 D N -0.057 120.341 120.400 -0.002 0.000 2.106 187 D HA -0.268 4.372 4.640 0.000 0.000 0.191 187 D C 1.586 177.886 176.300 -0.001 0.000 0.997 187 D CA 1.635 55.634 54.000 -0.001 0.000 0.834 187 D CB -0.420 40.380 40.800 -0.001 0.000 0.956 187 D HN 0.838 nan 8.370 nan 0.000 0.448 188 Q N 0.240 120.039 119.800 -0.002 0.000 2.061 188 Q HA -0.172 4.168 4.340 0.000 0.000 0.204 188 Q C 1.249 177.248 176.000 -0.002 0.000 0.984 188 Q CA 1.683 57.485 55.803 -0.001 0.000 0.846 188 Q CB 0.121 28.858 28.738 -0.002 0.000 0.902 188 Q HN 0.161 nan 8.270 nan 0.000 0.421 189 D N 0.244 120.642 120.400 -0.003 0.000 2.183 189 D HA -0.118 4.522 4.640 0.000 0.000 0.203 189 D C 1.855 178.154 176.300 -0.003 0.000 0.969 189 D CA 0.486 54.484 54.000 -0.004 0.000 0.842 189 D CB -0.064 40.733 40.800 -0.006 0.000 0.957 189 D HN 0.242 nan 8.370 nan 0.000 0.484 190 L N 1.228 122.449 121.223 -0.002 0.000 2.093 190 L HA -0.106 4.234 4.340 0.000 0.000 0.208 190 L C 1.322 178.193 176.870 0.001 0.000 1.085 190 L CA 1.730 56.570 54.840 -0.001 0.000 0.755 190 L CB -0.394 41.665 42.059 -0.000 0.000 0.904 190 L HN -0.210 nan 8.230 nan 0.000 0.435 191 D N -0.264 120.136 120.400 0.001 0.000 2.144 191 D HA -0.182 4.458 4.640 0.000 0.000 0.199 191 D C 2.326 178.628 176.300 0.003 0.000 0.984 191 D CA 1.655 55.657 54.000 0.003 0.000 0.834 191 D CB -0.091 40.710 40.800 0.002 0.000 0.955 191 D HN 0.431 nan 8.370 nan 0.000 0.465 192 I N 0.281 120.852 120.570 0.002 0.000 2.226 192 I HA -0.231 3.939 4.170 0.000 0.000 0.245 192 I C 2.305 178.423 176.117 0.003 0.000 1.100 192 I CA 0.468 61.769 61.300 0.002 0.000 1.374 192 I CB -0.101 37.899 38.000 -0.000 0.000 1.057 192 I HN 0.021 nan 8.210 nan 0.000 0.413 193 L N 0.527 121.751 121.223 0.002 0.000 2.017 193 L HA -0.137 4.203 4.340 0.000 0.000 0.208 193 L C 2.395 179.268 176.870 0.006 0.000 1.073 193 L CA 1.777 56.618 54.840 0.003 0.000 0.745 193 L CB -0.552 41.507 42.059 0.000 0.000 0.894 193 L HN -0.035 nan 8.230 nan 0.000 0.432 194 V N -0.112 119.806 119.914 0.007 0.000 2.332 194 V HA -0.330 3.790 4.120 0.000 0.000 0.248 194 V C 2.626 178.726 176.094 0.011 0.000 1.055 194 V CA 2.202 64.508 62.300 0.009 0.000 1.038 194 V CB -0.709 31.119 31.823 0.009 0.000 0.651 194 V HN 0.473 nan 8.190 nan 0.000 0.450 195 K N 0.029 120.435 120.400 0.009 0.000 2.097 195 K HA -0.088 4.232 4.320 0.000 0.000 0.205 195 K C 2.293 178.900 176.600 0.011 0.000 1.050 195 K CA 1.360 57.652 56.287 0.010 0.000 0.938 195 K CB -0.396 32.109 32.500 0.007 0.000 0.718 195 K HN 0.484 nan 8.250 nan 0.000 0.442 196 A N 1.285 124.112 122.820 0.010 0.000 1.902 196 A HA -0.127 4.193 4.320 0.000 0.000 0.217 196 A C 2.083 179.677 177.584 0.017 0.000 1.181 196 A CA 1.224 53.269 52.037 0.012 0.000 0.623 196 A CB -0.571 18.435 19.000 0.010 0.000 0.818 196 A HN 0.144 nan 8.150 nan 0.000 0.443 197 L N -0.418 120.815 121.223 0.017 0.000 2.027 197 L HA -0.182 4.158 4.340 0.000 0.000 0.206 197 L C 2.237 179.121 176.870 0.023 0.000 1.074 197 L CA 1.217 56.070 54.840 0.021 0.000 0.745 197 L CB -0.697 41.373 42.059 0.019 0.000 0.898 197 L HN 0.318 nan 8.230 nan 0.000 0.433 198 N N -0.337 118.375 118.700 0.020 0.000 2.205 198 N HA -0.140 4.600 4.740 0.000 0.000 0.186 198 N C 1.884 177.406 175.510 0.021 0.000 1.015 198 N CA 1.379 54.441 53.050 0.020 0.000 0.862 198 N CB -0.163 38.334 38.487 0.016 0.000 0.986 198 N HN 0.177 nan 8.380 nan 0.000 0.429 199 S N -0.127 115.585 115.700 0.020 0.000 2.528 199 S HA 0.261 4.731 4.470 0.000 0.000 0.219 199 S C 0.789 175.403 174.600 0.023 0.000 0.985 199 S CA -0.284 57.927 58.200 0.019 0.000 0.914 199 S CB 0.158 63.367 63.200 0.016 0.000 0.776 199 S HN 0.424 nan 8.310 nan 0.000 0.526 200 A N 1.864 124.701 122.820 0.029 0.000 2.462 200 A HA 0.347 4.667 4.320 0.000 0.000 0.243 200 A C 1.350 178.958 177.584 0.040 0.000 1.076 200 A CA 0.078 52.137 52.037 0.037 0.000 0.773 200 A CB 0.220 19.248 19.000 0.047 0.000 1.010 200 A HN 0.399 nan 8.150 nan 0.000 0.493 201 S N 0.824 116.548 115.700 0.040 0.000 2.458 201 S HA 0.029 4.499 4.470 0.000 0.000 0.223 201 S C 0.645 175.275 174.600 0.050 0.000 1.019 201 S CA 0.843 59.065 58.200 0.036 0.000 0.937 201 S CB -0.096 63.118 63.200 0.023 0.000 0.788 201 S HN 0.777 nan 8.310 nan 0.000 0.511 202 N N 1.842 120.589 118.700 0.078 0.000 2.666 202 N HA 0.349 5.090 4.740 0.000 0.000 0.253 202 N C -3.281 172.390 175.510 0.267 0.000 1.621 202 N CA -1.586 51.544 53.050 0.132 0.000 0.785 202 N CB 1.272 39.786 38.487 0.046 0.000 1.332 202 N HN 0.135 nan 8.380 nan 0.000 0.514 203 P HA 0.328 nan 4.420 nan 0.000 0.272 203 P C -0.937 176.416 177.300 0.087 0.000 1.223 203 P CA -0.279 62.900 63.100 0.132 0.000 0.784 203 P CB 1.460 33.201 31.700 0.069 0.000 0.923 204 A N 2.717 125.508 122.820 -0.048 0.000 2.413 204 A HA 0.770 5.090 4.320 0.000 0.000 0.307 204 A C -0.672 176.890 177.584 -0.037 0.000 1.087 204 A CA -0.881 51.065 52.037 -0.152 0.000 0.750 204 A CB 1.083 19.841 19.000 -0.403 0.000 1.296 204 A HN 0.455 nan 8.150 nan 0.000 0.423 205 I N 1.119 121.680 120.570 -0.015 0.000 2.509 205 I HA 0.513 4.683 4.170 0.000 0.000 0.293 205 I C -1.009 175.121 176.117 0.022 0.000 1.020 205 I CA -0.919 60.368 61.300 -0.022 0.000 1.088 205 I CB 2.160 40.109 38.000 -0.085 0.000 1.267 205 I HN 0.307 nan 8.210 nan 0.000 0.430 206 V N 7.008 126.942 119.914 0.033 0.000 2.531 206 V HA 0.494 4.614 4.120 0.000 0.000 0.301 206 V C -0.318 175.799 176.094 0.039 0.000 1.034 206 V CA -0.517 61.814 62.300 0.052 0.000 0.865 206 V CB 1.995 33.869 31.823 0.084 0.000 0.995 206 V HN 0.462 nan 8.190 nan 0.000 0.424 207 L N 3.925 125.161 121.223 0.022 0.000 2.346 207 L HA 0.887 5.227 4.340 0.000 0.000 0.276 207 L C 0.684 177.594 176.870 0.065 0.000 1.006 207 L CA -0.313 54.555 54.840 0.047 0.000 0.817 207 L CB 2.029 44.122 42.059 0.058 0.000 1.272 207 L HN 0.760 nan 8.230 nan 0.000 0.421 208 G N 1.098 109.943 108.800 0.075 0.000 2.938 208 G HA2 0.540 4.500 3.960 0.000 0.000 0.258 208 G HA3 0.540 4.500 3.960 0.000 0.000 0.258 208 G C -2.210 172.749 174.900 0.098 0.000 1.356 208 G CA -0.875 44.273 45.100 0.080 0.000 1.052 208 G HN 0.408 nan 8.290 nan 0.000 0.550 209 P HA 0.036 nan 4.420 nan 0.000 0.225 209 P C 0.542 177.909 177.300 0.111 0.000 1.156 209 P CA 0.729 63.897 63.100 0.113 0.000 0.787 209 P CB 0.378 32.137 31.700 0.099 0.000 0.802 210 D N -0.262 120.203 120.400 0.109 0.000 2.310 210 D HA -0.062 4.578 4.640 0.000 0.000 0.212 210 D C 1.976 178.320 176.300 0.074 0.000 0.965 210 D CA 0.593 54.654 54.000 0.101 0.000 0.879 210 D CB -0.249 40.609 40.800 0.097 0.000 0.921 210 D HN 0.041 nan 8.370 nan 0.000 0.510 211 V N 1.054 121.015 119.914 0.080 0.000 2.270 211 V HA -0.235 3.885 4.120 0.000 0.000 0.245 211 V C 2.196 178.336 176.094 0.076 0.000 1.043 211 V CA 1.830 64.176 62.300 0.076 0.000 1.014 211 V CB -0.352 31.528 31.823 0.095 0.000 0.645 211 V HN 0.067 nan 8.190 nan 0.000 0.447 212 D N 0.085 120.537 120.400 0.087 0.000 2.117 212 D HA -0.139 4.501 4.640 0.000 0.000 0.197 212 D C 2.115 178.461 176.300 0.078 0.000 0.987 212 D CA 1.430 55.475 54.000 0.075 0.000 0.829 212 D CB -0.167 40.673 40.800 0.068 0.000 0.961 212 D HN 0.362 nan 8.370 nan 0.000 0.460 213 A N 0.326 123.201 122.820 0.092 0.000 1.940 213 A HA -0.040 4.280 4.320 0.000 0.000 0.219 213 A C 2.254 179.874 177.584 0.059 0.000 1.176 213 A CA 2.103 54.193 52.037 0.089 0.000 0.631 213 A CB -0.876 18.183 19.000 0.098 0.000 0.814 213 A HN 0.320 nan 8.150 nan 0.000 0.446 214 A N -1.475 121.374 122.820 0.049 0.000 2.208 214 A HA 0.203 4.523 4.320 0.000 0.000 0.209 214 A C 1.019 178.622 177.584 0.031 0.000 1.161 214 A CA 0.970 53.027 52.037 0.033 0.000 0.782 214 A CB -0.503 18.514 19.000 0.028 0.000 0.816 214 A HN 0.779 nan 8.150 nan 0.000 0.477 215 N N -2.518 116.203 118.700 0.036 0.000 2.735 215 N HA -0.225 4.515 4.740 0.000 0.000 0.248 215 N C 0.490 176.013 175.510 0.021 0.000 1.083 215 N CA 1.105 54.170 53.050 0.025 0.000 0.703 215 N CB -1.466 37.031 38.487 0.018 0.000 1.005 215 N HN 0.565 nan 8.380 nan 0.000 0.550 216 A N -0.913 121.926 122.820 0.032 0.000 2.251 216 A HA 0.159 4.479 4.320 0.000 0.000 0.209 216 A C 1.698 179.305 177.584 0.039 0.000 1.187 216 A CA 0.648 52.705 52.037 0.033 0.000 0.823 216 A CB -0.132 18.892 19.000 0.040 0.000 0.846 216 A HN 0.524 nan 8.150 nan 0.000 0.486 217 N N 1.754 120.473 118.700 0.031 0.000 2.036 217 N HA -0.179 4.561 4.740 0.000 0.000 0.195 217 N C 1.792 177.279 175.510 -0.039 0.000 1.037 217 N CA 1.916 54.978 53.050 0.019 0.000 0.855 217 N CB -0.497 37.978 38.487 -0.019 0.000 1.033 217 N HN 0.445 nan 8.380 nan 0.000 0.423 218 A N 0.883 123.671 122.820 -0.053 0.000 1.933 218 A HA -0.146 4.174 4.320 0.000 0.000 0.218 218 A C 1.652 179.214 177.584 -0.037 0.000 1.175 218 A CA 1.617 53.610 52.037 -0.074 0.000 0.628 218 A CB -0.465 18.504 19.000 -0.053 0.000 0.814 218 A HN 0.141 nan 8.150 nan 0.000 0.444 219 D N -0.516 119.883 120.400 -0.002 0.000 2.144 219 D HA -0.107 4.533 4.640 0.000 0.000 0.200 219 D C 1.948 178.274 176.300 0.044 0.000 0.978 219 D CA 1.258 55.268 54.000 0.017 0.000 0.833 219 D CB -0.471 40.342 40.800 0.022 0.000 0.961 219 D HN 0.455 nan 8.370 nan 0.000 0.470 220 C N 0.166 119.512 119.300 0.077 0.000 2.435 220 C HA -0.026 4.434 4.460 0.000 0.000 0.279 220 C C 2.897 178.037 174.990 0.249 0.000 1.321 220 C CA -0.027 59.087 59.018 0.160 0.000 1.752 220 C CB -0.692 27.185 27.740 0.228 0.000 1.959 220 C HN 0.162 nan 8.230 nan 0.000 0.500 221 V N 0.963 120.927 119.914 0.084 0.000 2.295 221 V HA -0.315 3.805 4.120 0.000 0.000 0.246 221 V C 2.444 178.544 176.094 0.009 0.000 1.049 221 V CA 2.350 64.585 62.300 -0.107 0.000 1.024 221 V CB -0.672 30.902 31.823 -0.415 0.000 0.648 221 V HN 0.615 nan 8.190 nan 0.000 0.447 222 M N -0.542 119.067 119.600 0.015 0.000 2.117 222 M HA -0.192 4.289 4.480 0.000 0.000 0.262 222 M C 2.126 178.460 176.300 0.057 0.000 1.065 222 M CA 1.992 57.314 55.300 0.037 0.000 1.114 222 M CB -0.205 32.409 32.600 0.023 0.000 1.361 222 M HN 0.364 nan 8.290 nan 0.000 0.408 223 L N 0.909 122.169 121.223 0.062 0.000 2.012 223 L HA -0.112 4.228 4.340 0.000 0.000 0.210 223 L C 2.459 179.369 176.870 0.067 0.000 1.073 223 L CA 2.370 57.245 54.840 0.058 0.000 0.748 223 L CB -1.022 41.070 42.059 0.055 0.000 0.891 223 L HN 0.357 nan 8.230 nan 0.000 0.431 224 A N -1.073 121.804 122.820 0.095 0.000 1.930 224 A HA -0.183 4.137 4.320 0.000 0.000 0.217 224 A C 2.144 179.797 177.584 0.115 0.000 1.175 224 A CA 1.582 53.671 52.037 0.086 0.000 0.627 224 A CB -0.567 18.498 19.000 0.109 0.000 0.815 224 A HN 0.612 nan 8.150 nan 0.000 0.443 225 E N -0.504 119.780 120.200 0.139 0.000 2.077 225 E HA -0.163 4.187 4.350 0.000 0.000 0.193 225 E C 2.349 179.002 176.600 0.088 0.000 0.989 225 E CA 0.813 57.298 56.400 0.142 0.000 0.800 225 E CB -0.164 29.626 29.700 0.150 0.000 0.746 225 E HN 0.397 nan 8.360 nan 0.000 0.452 226 R N 0.521 121.063 120.500 0.069 0.000 2.080 226 R HA -0.104 4.236 4.340 0.000 0.000 0.236 226 R C 2.365 178.693 176.300 0.047 0.000 1.137 226 R CA 1.048 57.178 56.100 0.050 0.000 0.943 226 R CB -0.504 29.820 30.300 0.042 0.000 0.846 226 R HN 0.252 nan 8.270 nan 0.000 0.431 227 L N 1.152 122.403 121.223 0.048 0.000 2.552 227 L HA -0.000 4.340 4.340 0.000 0.000 0.227 227 L C 0.206 177.104 176.870 0.047 0.000 1.146 227 L CA 0.292 55.157 54.840 0.043 0.000 0.858 227 L CB -0.107 41.974 42.059 0.037 0.000 0.969 227 L HN 0.110 nan 8.230 nan 0.000 0.451 228 K N -0.343 120.090 120.400 0.056 0.000 3.150 228 K HA -0.170 4.150 4.320 0.000 0.000 0.267 228 K C -0.071 176.558 176.600 0.050 0.000 1.028 228 K CA 0.864 57.185 56.287 0.058 0.000 0.753 228 K CB -2.019 30.510 32.500 0.048 0.000 1.288 228 K HN 0.337 nan 8.250 nan 0.000 0.473 229 A N 1.044 123.886 122.820 0.036 0.000 2.337 229 A HA 0.693 5.013 4.320 0.000 0.000 0.329 229 A C -2.203 175.338 177.584 -0.071 0.000 1.146 229 A CA -1.527 50.513 52.037 0.004 0.000 0.800 229 A CB 1.188 20.185 19.000 -0.005 0.000 1.220 229 A HN -0.027 nan 8.150 nan 0.000 0.472 230 P HA 0.287 nan 4.420 nan 0.000 0.271 230 P C -0.715 176.292 177.300 -0.489 0.000 1.218 230 P CA 0.036 62.908 63.100 -0.380 0.000 0.780 230 P CB 0.991 32.361 31.700 -0.549 0.000 0.901 231 V N 3.642 123.153 119.914 -0.672 0.000 2.487 231 V HA 0.372 4.492 4.120 0.000 0.000 0.298 231 V C -0.144 175.486 176.094 -0.774 0.000 1.028 231 V CA -0.452 61.460 62.300 -0.646 0.000 0.860 231 V CB 1.717 32.937 31.823 -1.005 0.000 0.991 231 V HN 0.611 nan 8.190 nan 0.000 0.427 232 W N 2.767 123.798 121.300 -0.449 0.000 2.647 232 W HA 0.675 5.335 4.660 0.000 0.000 0.353 232 W C -0.744 175.552 176.519 -0.371 0.000 1.080 232 W CA -0.714 56.334 57.345 -0.494 0.000 1.208 232 W CB 2.202 31.416 29.460 -0.410 0.000 1.396 232 W HN 0.255 nan 8.180 nan 0.000 0.573 233 V N 2.329 122.149 119.914 -0.157 0.000 2.439 233 V HA 0.357 4.477 4.120 0.000 0.000 0.282 233 V C 0.692 176.681 176.094 -0.175 0.000 1.039 233 V CA -0.879 61.340 62.300 -0.136 0.000 0.913 233 V CB 0.465 32.130 31.823 -0.263 0.000 0.983 233 V HN 0.585 nan 8.190 nan 0.000 0.460 234 A N 8.321 131.083 122.820 -0.097 0.000 2.507 234 A HA 0.404 4.724 4.320 0.000 0.000 0.235 234 A C -1.838 175.652 177.584 -0.155 0.000 1.070 234 A CA -0.633 51.332 52.037 -0.120 0.000 0.768 234 A CB -0.409 18.616 19.000 0.041 0.000 1.011 234 A HN 0.703 nan 8.150 nan 0.000 0.502 235 P HA 0.128 nan 4.420 nan 0.000 0.272 235 P C -0.079 177.187 177.300 -0.057 0.000 1.240 235 P CA 0.345 63.355 63.100 -0.151 0.000 0.791 235 P CB 0.527 32.131 31.700 -0.161 0.000 0.978 236 S N -1.977 113.716 115.700 -0.012 0.000 3.682 236 S HA -0.154 4.316 4.470 0.000 0.000 0.354 236 S C 0.542 175.171 174.600 0.049 0.000 1.034 236 S CA 0.674 58.881 58.200 0.012 0.000 1.084 236 S CB -2.090 61.100 63.200 -0.017 0.000 0.903 236 S HN 0.920 nan 8.310 nan 0.000 0.470 237 A N 1.039 123.944 122.820 0.142 0.000 2.484 237 A HA 0.482 4.802 4.320 0.000 0.000 0.268 237 A C -0.631 177.198 177.584 0.409 0.000 1.114 237 A CA -0.948 51.233 52.037 0.238 0.000 0.780 237 A CB 0.180 19.336 19.000 0.260 0.000 1.061 237 A HN 0.282 nan 8.150 nan 0.000 0.505 238 P HA 0.085 nan 4.420 nan 0.000 0.240 238 P C 0.221 177.715 177.300 0.323 0.000 1.190 238 P CA 0.752 63.996 63.100 0.240 0.000 0.781 238 P CB 0.390 32.125 31.700 0.059 0.000 0.931 239 R N -2.169 118.546 120.500 0.358 0.000 2.831 239 R HA 0.576 4.916 4.340 0.000 0.000 0.266 239 R C -1.355 175.168 176.300 0.372 0.000 1.051 239 R CA -0.785 55.460 56.100 0.243 0.000 0.943 239 R CB 1.291 31.646 30.300 0.091 0.000 1.228 239 R HN -0.129 nan 8.270 nan 0.000 0.467 240 C N 2.759 122.187 119.300 0.214 0.000 2.281 240 C HA 0.536 4.996 4.460 0.000 0.000 0.323 240 C C -1.731 173.363 174.990 0.175 0.000 1.270 240 C CA -1.936 57.236 59.018 0.258 0.000 1.559 240 C CB 0.848 28.594 27.740 0.010 0.000 2.239 240 C HN 0.633 nan 8.230 nan 0.000 0.488 241 P HA 0.221 nan 4.420 nan 0.000 0.268 241 P C -0.322 177.141 177.300 0.273 0.000 1.329 241 P CA 0.270 63.492 63.100 0.203 0.000 0.899 241 P CB 0.146 31.967 31.700 0.203 0.000 1.378 242 F N 1.410 121.360 119.950 -0.000 0.000 2.665 242 F HA 0.465 4.992 4.527 0.000 0.000 0.308 242 F C -2.675 172.975 175.800 -0.251 0.000 1.112 242 F CA -2.346 55.602 58.000 -0.087 0.000 0.972 242 F CB 1.962 40.975 39.000 0.023 0.000 1.295 242 F HN -0.353 nan 8.300 nan 0.000 0.440 243 P HA 0.116 nan 4.420 nan 0.000 0.271 243 P C 0.334 177.390 177.300 -0.406 0.000 1.226 243 P CA 0.103 62.986 63.100 -0.361 0.000 0.765 243 P CB 0.695 32.193 31.700 -0.336 0.000 0.835 244 T N 0.210 114.474 114.554 -0.483 0.000 3.148 244 T HA 0.054 4.404 4.350 0.000 0.000 0.253 244 T C 1.055 175.653 174.700 -0.171 0.000 1.134 244 T CA 0.401 62.054 62.100 -0.744 0.000 1.051 244 T CB -0.247 68.370 68.868 -0.420 0.000 0.959 244 T HN 0.186 nan 8.240 nan 0.000 0.525 245 R N 0.443 120.901 120.500 -0.069 0.000 2.508 245 R HA 0.220 4.560 4.340 0.000 0.000 0.300 245 R C 0.314 176.656 176.300 0.071 0.000 0.970 245 R CA -0.346 55.774 56.100 0.033 0.000 1.102 245 R CB -0.398 29.901 30.300 -0.002 0.000 1.246 245 R HN 0.585 nan 8.270 nan 0.000 0.539 246 H N 2.359 121.437 119.070 0.013 0.000 2.897 246 H HA 0.044 4.600 4.556 0.000 0.000 0.347 246 H C -1.550 173.870 175.328 0.154 0.000 1.068 246 H CA -1.068 55.017 56.048 0.061 0.000 1.426 246 H CB 1.674 31.457 29.762 0.036 0.000 1.410 246 H HN -0.197 nan 8.280 nan 0.000 0.597 247 P HA -0.109 nan 4.420 nan 0.000 0.219 247 P C 1.302 178.691 177.300 0.149 0.000 1.146 247 P CA 1.082 64.160 63.100 -0.037 0.000 0.808 247 P CB 0.081 31.686 31.700 -0.159 0.000 0.779 248 C N -2.892 116.692 119.300 0.472 0.000 2.481 248 C HA 0.123 4.583 4.460 0.000 0.000 0.275 248 C C 1.252 176.289 174.990 0.079 0.000 1.419 248 C CA -0.608 58.571 59.018 0.268 0.000 1.773 248 C CB -1.915 26.009 27.740 0.307 0.000 1.862 248 C HN 0.107 nan 8.230 nan 0.000 0.530 249 F N 1.809 121.825 119.950 0.110 0.000 2.538 249 F HA 0.203 4.730 4.527 0.000 0.000 0.371 249 F C 1.285 176.928 175.800 -0.261 0.000 1.087 249 F CA 0.257 58.210 58.000 -0.079 0.000 1.250 249 F CB 0.493 39.594 39.000 0.168 0.000 1.110 249 F HN -0.068 nan 8.300 nan 0.000 0.570 250 R N 3.087 122.862 120.500 -1.208 0.000 2.344 250 R HA 0.374 4.714 4.340 0.000 0.000 0.209 250 R C 0.617 176.332 176.300 -0.976 0.000 0.886 250 R CA 0.392 55.829 56.100 -1.104 0.000 1.040 250 R CB -0.098 29.093 30.300 -1.847 0.000 1.114 250 R HN 0.962 nan 8.270 nan 0.000 0.547 251 G N 0.670 108.499 108.800 -1.619 0.000 2.466 251 G HA2 -0.194 3.766 3.960 0.000 0.000 0.316 251 G HA3 -0.194 3.766 3.960 0.000 0.000 0.316 251 G C -1.506 173.012 174.900 -0.638 0.000 1.270 251 G CA -0.499 44.072 45.100 -0.883 0.000 0.982 251 G HN 0.133 nan 8.290 nan 0.000 0.506 252 L N 0.876 121.771 121.223 -0.547 0.000 2.319 252 L HA 0.729 5.070 4.340 0.000 0.000 0.280 252 L C 1.061 177.741 176.870 -0.317 0.000 1.099 252 L CA -0.225 54.234 54.840 -0.634 0.000 0.828 252 L CB 0.622 42.103 42.059 -0.963 0.000 1.150 252 L HN 0.622 nan 8.230 nan 0.000 0.442 253 M N 7.668 127.098 119.600 -0.282 0.000 2.245 253 M HA 0.251 4.731 4.480 0.000 0.000 0.344 253 M C -1.937 174.231 176.300 -0.221 0.000 1.170 253 M CA -1.484 53.647 55.300 -0.282 0.000 1.135 253 M CB 0.413 32.758 32.600 -0.425 0.000 1.574 253 M HN 0.502 nan 8.290 nan 0.000 0.452 254 P HA 0.073 nan 4.420 nan 0.000 0.271 254 P C -0.887 176.384 177.300 -0.048 0.000 1.218 254 P CA -0.184 62.868 63.100 -0.079 0.000 0.780 254 P CB 0.511 32.179 31.700 -0.053 0.000 0.901 255 A N 2.625 125.472 122.820 0.045 0.000 3.117 255 A HA 0.512 4.832 4.320 0.000 0.000 0.255 255 A C 0.796 178.524 177.584 0.240 0.000 1.583 255 A CA -0.062 52.055 52.037 0.134 0.000 1.234 255 A CB -1.177 17.928 19.000 0.176 0.000 1.076 255 A HN 0.645 nan 8.150 nan 0.000 0.653 256 G N -0.829 108.087 108.800 0.194 0.000 2.571 256 G HA2 0.491 4.451 3.960 0.000 0.000 0.304 256 G HA3 0.491 4.451 3.960 0.000 0.000 0.304 256 G C 0.562 175.457 174.900 -0.008 0.000 1.314 256 G CA -0.621 44.518 45.100 0.065 0.000 0.975 256 G HN 0.149 nan 8.290 nan 0.000 0.485 257 I N 1.443 121.778 120.570 -0.391 0.000 2.099 257 I HA -0.221 3.949 4.170 0.000 0.000 0.239 257 I C 3.043 179.050 176.117 -0.184 0.000 1.066 257 I CA 1.940 62.967 61.300 -0.455 0.000 1.324 257 I CB -0.020 37.571 38.000 -0.681 0.000 1.037 257 I HN 0.555 nan 8.210 nan 0.000 0.401 258 A N 0.403 123.093 122.820 -0.217 0.000 1.930 258 A HA -0.097 4.223 4.320 0.000 0.000 0.217 258 A C 2.496 180.015 177.584 -0.107 0.000 1.175 258 A CA 1.630 53.573 52.037 -0.156 0.000 0.627 258 A CB -0.823 18.077 19.000 -0.167 0.000 0.815 258 A HN 0.446 nan 8.150 nan 0.000 0.443 259 A N -0.067 122.696 122.820 -0.094 0.000 1.902 259 A HA -0.081 4.239 4.320 0.000 0.000 0.217 259 A C 2.114 179.622 177.584 -0.125 0.000 1.181 259 A CA 1.548 53.533 52.037 -0.087 0.000 0.623 259 A CB -0.536 18.426 19.000 -0.064 0.000 0.818 259 A HN 0.496 nan 8.150 nan 0.000 0.443 260 I N 0.460 120.960 120.570 -0.116 0.000 2.286 260 I HA -0.218 3.952 4.170 0.000 0.000 0.245 260 I C 2.894 178.916 176.117 -0.159 0.000 1.104 260 I CA 1.454 62.631 61.300 -0.205 0.000 1.397 260 I CB -0.217 37.645 38.000 -0.229 0.000 1.072 260 I HN 0.515 nan 8.210 nan 0.000 0.417 261 S N 0.318 115.981 115.700 -0.061 0.000 2.382 261 S HA -0.294 4.176 4.470 0.000 0.000 0.228 261 S C 1.932 176.491 174.600 -0.069 0.000 1.027 261 S CA 1.393 59.571 58.200 -0.037 0.000 0.991 261 S CB -0.478 62.720 63.200 -0.003 0.000 0.823 261 S HN 0.419 nan 8.310 nan 0.000 0.469 262 Q N 0.870 120.619 119.800 -0.085 0.000 2.079 262 Q HA 0.035 4.375 4.340 0.000 0.000 0.200 262 Q C 2.053 177.996 176.000 -0.095 0.000 0.974 262 Q CA 1.321 57.078 55.803 -0.077 0.000 0.840 262 Q CB -0.649 28.047 28.738 -0.070 0.000 0.898 262 Q HN 0.500 nan 8.270 nan 0.000 0.430 263 L N -0.239 120.887 121.223 -0.163 0.000 2.079 263 L HA -0.079 4.261 4.340 0.000 0.000 0.210 263 L C 1.687 178.421 176.870 -0.227 0.000 1.081 263 L CA 1.642 56.341 54.840 -0.236 0.000 0.752 263 L CB -0.213 41.571 42.059 -0.459 0.000 0.896 263 L HN 0.363 nan 8.230 nan 0.000 0.433 264 L N -0.949 120.149 121.223 -0.210 0.000 2.591 264 L HA 0.055 4.395 4.340 0.000 0.000 0.228 264 L C 0.908 177.816 176.870 0.062 0.000 1.133 264 L CA -0.219 54.578 54.840 -0.071 0.000 0.880 264 L CB -0.385 41.601 42.059 -0.121 0.000 1.033 264 L HN 0.254 nan 8.230 nan 0.000 0.450 265 E N 0.499 120.697 120.200 -0.004 0.000 2.452 265 E HA 0.128 4.478 4.350 0.000 0.000 0.261 265 E C 1.199 177.766 176.600 -0.055 0.000 0.987 265 E CA 0.858 57.247 56.400 -0.017 0.000 0.926 265 E CB 0.428 30.110 29.700 -0.031 0.000 0.934 265 E HN 0.284 nan 8.360 nan 0.000 0.452 266 G N 3.900 112.664 108.800 -0.059 0.000 2.225 266 G HA2 -0.249 3.711 3.960 0.000 0.000 0.254 266 G HA3 -0.249 3.711 3.960 0.000 0.000 0.254 266 G C -0.053 174.742 174.900 -0.174 0.000 0.988 266 G CA 0.217 45.244 45.100 -0.122 0.000 0.625 266 G HN 0.717 nan 8.290 nan 0.000 0.527 267 H N 1.785 120.864 119.070 0.016 0.000 2.668 267 H HA 0.263 4.819 4.556 0.000 0.000 0.303 267 H C 1.296 176.635 175.328 0.020 0.000 1.074 267 H CA 0.446 56.512 56.048 0.030 0.000 1.406 267 H CB 1.417 31.203 29.762 0.041 0.000 1.442 267 H HN 0.500 nan 8.280 nan 0.000 0.482 268 D N 2.393 122.869 120.400 0.127 0.000 2.162 268 D HA -0.063 4.577 4.640 0.000 0.000 0.203 268 D C 0.445 176.789 176.300 0.073 0.000 0.967 268 D CA 0.477 54.523 54.000 0.075 0.000 0.840 268 D CB 0.388 41.217 40.800 0.049 0.000 0.972 268 D HN 0.114 nan 8.370 nan 0.000 0.482 269 V N 1.092 121.058 119.914 0.086 0.000 2.577 269 V HA 0.344 4.464 4.120 0.000 0.000 0.303 269 V C -0.519 175.609 176.094 0.057 0.000 1.042 269 V CA -0.992 61.343 62.300 0.058 0.000 0.872 269 V CB 2.558 34.408 31.823 0.044 0.000 0.998 269 V HN -0.079 nan 8.190 nan 0.000 0.423 270 V N 5.942 125.880 119.914 0.039 0.000 2.357 270 V HA 0.458 4.578 4.120 0.000 0.000 0.284 270 V C -0.475 175.631 176.094 0.020 0.000 1.018 270 V CA -0.548 61.766 62.300 0.022 0.000 0.841 270 V CB 1.657 33.496 31.823 0.026 0.000 0.991 270 V HN 0.666 nan 8.190 nan 0.000 0.437 271 L N 7.586 128.818 121.223 0.015 0.000 2.265 271 L HA 0.626 4.966 4.340 0.000 0.000 0.289 271 L C -0.358 176.523 176.870 0.018 0.000 1.033 271 L CA 0.183 55.029 54.840 0.010 0.000 0.814 271 L CB 1.469 43.533 42.059 0.008 0.000 1.203 271 L HN 0.435 nan 8.230 nan 0.000 0.423 272 V N 6.751 126.673 119.914 0.013 0.000 2.427 272 V HA 0.492 4.612 4.120 0.000 0.000 0.286 272 V C 0.163 176.261 176.094 0.008 0.000 1.034 272 V CA -0.407 61.910 62.300 0.028 0.000 0.893 272 V CB 1.371 33.200 31.823 0.011 0.000 0.982 272 V HN 0.600 nan 8.190 nan 0.000 0.452 273 I N 3.312 123.895 120.570 0.023 0.000 2.466 273 I HA 0.618 4.788 4.170 0.000 0.000 0.289 273 I C 0.940 177.076 176.117 0.031 0.000 1.026 273 I CA -0.466 60.845 61.300 0.019 0.000 1.078 273 I CB 1.779 39.795 38.000 0.026 0.000 1.249 273 I HN 0.836 nan 8.210 nan 0.000 0.429 274 G N 4.349 113.162 108.800 0.023 0.000 2.176 274 G HA2 -0.048 3.912 3.960 0.000 0.000 0.252 274 G HA3 -0.048 3.912 3.960 0.000 0.000 0.252 274 G C -0.064 174.867 174.900 0.052 0.000 1.024 274 G CA 0.232 45.356 45.100 0.040 0.000 0.755 274 G HN 1.045 nan 8.290 nan 0.000 0.507 275 A N -0.697 122.142 122.820 0.032 0.000 2.498 275 A HA 0.955 5.275 4.320 0.000 0.000 0.298 275 A C -2.664 174.907 177.584 -0.022 0.000 1.075 275 A CA -1.451 50.603 52.037 0.028 0.000 0.714 275 A CB 1.812 20.853 19.000 0.067 0.000 1.299 275 A HN 0.094 nan 8.150 nan 0.000 0.407 276 P HA 0.321 nan 4.420 nan 0.000 0.272 276 P C -0.741 176.430 177.300 -0.215 0.000 1.230 276 P CA -0.133 62.910 63.100 -0.096 0.000 0.788 276 P CB 0.649 32.309 31.700 -0.067 0.000 0.949 277 V N 3.422 123.099 119.914 -0.394 0.000 2.275 277 V HA 0.357 4.478 4.120 0.000 0.000 0.272 277 V C -0.421 175.321 176.094 -0.587 0.000 1.028 277 V CA -0.019 61.736 62.300 -0.908 0.000 0.810 277 V CB -0.751 30.564 31.823 -0.847 0.000 1.043 277 V HN 0.369 nan 8.190 nan 0.000 0.453 278 F N 2.374 122.069 119.950 -0.426 0.000 2.579 278 F HA 0.615 5.142 4.527 0.000 0.000 0.324 278 F C 0.620 176.084 175.800 -0.561 0.000 1.058 278 F CA -1.372 56.260 58.000 -0.613 0.000 0.944 278 F CB 1.665 40.080 39.000 -0.977 0.000 1.245 278 F HN 0.200 nan 8.300 nan 0.000 0.477 279 R N 1.619 122.051 120.500 -0.114 0.000 4.154 279 R HA 0.202 4.543 4.340 0.000 0.000 0.186 279 R C -1.242 175.061 176.300 0.005 0.000 1.750 279 R CA -0.076 56.000 56.100 -0.039 0.000 1.431 279 R CB -1.303 28.988 30.300 -0.015 0.000 1.383 279 R HN 0.362 nan 8.270 nan 0.000 0.788 280 Y N -0.259 120.122 120.300 0.135 0.000 2.459 280 Y HA 0.050 4.600 4.550 0.000 0.000 0.349 280 Y C 1.526 177.507 175.900 0.135 0.000 1.266 280 Y CA 0.600 58.766 58.100 0.110 0.000 1.483 280 Y CB 0.395 38.918 38.460 0.105 0.000 1.362 280 Y HN 0.499 nan 8.280 nan 0.000 0.628 281 H N -1.241 117.962 119.070 0.221 0.000 2.010 281 H HA 0.148 4.704 4.556 0.000 0.000 0.175 281 H C -0.112 175.281 175.328 0.109 0.000 0.966 281 H CA 0.348 56.471 56.048 0.123 0.000 1.080 281 H CB 0.154 29.969 29.762 0.089 0.000 1.072 281 H HN 0.575 nan 8.280 nan 0.000 0.373 282 Q N 0.751 120.439 119.800 -0.187 0.000 2.417 282 Q HA -0.010 4.330 4.340 0.000 0.000 0.241 282 Q C -0.676 175.296 176.000 -0.047 0.000 1.008 282 Q CA -0.509 55.195 55.803 -0.165 0.000 0.901 282 Q CB 0.648 29.477 28.738 0.152 0.000 1.259 282 Q HN 0.501 nan 8.270 nan 0.000 0.489 283 Y N 1.412 121.627 120.300 -0.141 0.000 2.537 283 Y HA 0.122 4.672 4.550 0.000 0.000 0.339 283 Y C -0.742 175.110 175.900 -0.081 0.000 1.066 283 Y CA 0.289 58.322 58.100 -0.113 0.000 1.357 283 Y CB 0.468 38.868 38.460 -0.099 0.000 1.175 283 Y HN 0.790 nan 8.280 nan 0.000 0.525 284 D N 8.319 128.389 120.400 -0.550 0.000 3.118 284 D HA 0.195 4.835 4.640 0.000 0.000 0.259 284 D C -3.089 172.905 176.300 -0.510 0.000 1.292 284 D CA -1.374 52.382 54.000 -0.406 0.000 0.784 284 D CB 0.637 41.319 40.800 -0.196 0.000 1.413 284 D HN 0.237 nan 8.370 nan 0.000 0.583 285 P HA 0.502 nan 4.420 nan 0.000 0.271 285 P C 0.439 177.520 177.300 -0.366 0.000 1.218 285 P CA 0.302 63.071 63.100 -0.552 0.000 0.780 285 P CB 1.778 33.152 31.700 -0.544 0.000 0.901 286 G N 1.442 110.028 108.800 -0.357 0.000 2.399 286 G HA2 0.106 4.066 3.960 0.000 0.000 0.256 286 G HA3 0.106 4.066 3.960 0.000 0.000 0.256 286 G C -1.580 173.131 174.900 -0.315 0.000 1.236 286 G CA -0.663 44.273 45.100 -0.272 0.000 0.914 286 G HN 0.458 nan 8.290 nan 0.000 0.482 287 Q N -0.459 119.210 119.800 -0.219 0.000 2.293 287 Q HA 0.424 4.764 4.340 0.000 0.000 0.251 287 Q C 0.342 176.248 176.000 -0.156 0.000 0.930 287 Q CA -0.514 55.181 55.803 -0.179 0.000 0.893 287 Q CB 1.272 29.964 28.738 -0.076 0.000 1.215 287 Q HN 0.511 nan 8.270 nan 0.000 0.425 288 Y N 1.077 121.368 120.300 -0.016 0.000 2.181 288 Y HA -0.071 4.479 4.550 0.000 0.000 0.288 288 Y C 0.521 176.462 175.900 0.068 0.000 1.146 288 Y CA 0.964 59.090 58.100 0.042 0.000 1.164 288 Y CB 0.299 38.792 38.460 0.055 0.000 0.982 288 Y HN 0.387 nan 8.280 nan 0.000 0.515 289 L N -0.756 120.580 121.223 0.188 0.000 2.466 289 L HA 0.363 4.703 4.340 0.000 0.000 0.258 289 L C -0.580 176.324 176.870 0.055 0.000 0.973 289 L CA -1.122 53.783 54.840 0.109 0.000 0.826 289 L CB 2.643 44.764 42.059 0.103 0.000 1.372 289 L HN -0.276 nan 8.230 nan 0.000 0.409 290 K N 1.395 121.812 120.400 0.028 0.000 2.126 290 K HA 0.390 4.710 4.320 0.000 0.000 0.257 290 K C -2.383 174.226 176.600 0.015 0.000 1.007 290 K CA -1.559 54.734 56.287 0.010 0.000 0.928 290 K CB 0.510 33.007 32.500 -0.005 0.000 1.013 290 K HN 0.242 nan 8.250 nan 0.000 0.473 291 P HA -0.088 nan 4.420 nan 0.000 0.261 291 P C 0.353 177.657 177.300 0.008 0.000 1.173 291 P CA 1.095 64.200 63.100 0.008 0.000 0.760 291 P CB 0.401 32.102 31.700 0.001 0.000 0.783 292 G N 1.549 110.356 108.800 0.012 0.000 2.194 292 G HA2 -0.183 3.777 3.960 0.000 0.000 0.236 292 G HA3 -0.183 3.777 3.960 0.000 0.000 0.236 292 G C 0.202 175.117 174.900 0.024 0.000 0.987 292 G CA -0.064 45.044 45.100 0.013 0.000 0.635 292 G HN 0.608 nan 8.290 nan 0.000 0.520 293 T N 1.638 116.211 114.554 0.031 0.000 2.779 293 T HA 0.634 4.984 4.350 0.000 0.000 0.280 293 T C 0.252 174.975 174.700 0.040 0.000 0.987 293 T CA -0.211 61.916 62.100 0.046 0.000 0.966 293 T CB 1.356 70.256 68.868 0.053 0.000 0.933 293 T HN 0.766 nan 8.240 nan 0.000 0.442 294 R N 2.818 123.340 120.500 0.037 0.000 2.832 294 R HA 0.833 5.173 4.340 0.000 0.000 0.271 294 R C -1.428 174.886 176.300 0.024 0.000 0.996 294 R CA -1.051 55.065 56.100 0.025 0.000 0.977 294 R CB 1.440 31.750 30.300 0.016 0.000 1.168 294 R HN 0.526 nan 8.270 nan 0.000 0.482 295 L N 2.599 123.826 121.223 0.007 0.000 2.362 295 L HA 0.624 4.964 4.340 0.000 0.000 0.271 295 L C -1.410 175.443 176.870 -0.027 0.000 1.002 295 L CA -0.975 53.861 54.840 -0.005 0.000 0.818 295 L CB 1.812 43.860 42.059 -0.017 0.000 1.298 295 L HN 0.697 nan 8.230 nan 0.000 0.420 296 I N 3.545 124.099 120.570 -0.026 0.000 2.447 296 I HA 0.339 4.509 4.170 0.000 0.000 0.287 296 I C -0.580 175.509 176.117 -0.046 0.000 1.023 296 I CA -0.342 60.938 61.300 -0.033 0.000 1.083 296 I CB 2.104 40.095 38.000 -0.016 0.000 1.245 296 I HN 0.536 nan 8.210 nan 0.000 0.434 297 S N 5.800 121.461 115.700 -0.066 0.000 2.454 297 S HA 0.670 5.140 4.470 0.000 0.000 0.306 297 S C -0.803 173.765 174.600 -0.053 0.000 1.100 297 S CA -0.480 57.674 58.200 -0.076 0.000 1.087 297 S CB 1.348 64.472 63.200 -0.127 0.000 1.019 297 S HN 0.321 nan 8.310 nan 0.000 0.480 298 V N 4.492 124.383 119.914 -0.038 0.000 2.370 298 V HA 0.661 4.781 4.120 0.000 0.000 0.283 298 V C 0.367 176.443 176.094 -0.030 0.000 1.023 298 V CA -0.444 61.838 62.300 -0.029 0.000 0.857 298 V CB 1.199 33.013 31.823 -0.015 0.000 0.985 298 V HN 0.961 nan 8.190 nan 0.000 0.443 299 T N 3.137 117.669 114.554 -0.037 0.000 2.909 299 T HA 0.246 4.596 4.350 0.000 0.000 0.299 299 T C 0.728 175.397 174.700 -0.052 0.000 1.073 299 T CA -0.150 61.927 62.100 -0.037 0.000 0.999 299 T CB 1.359 70.201 68.868 -0.042 0.000 1.098 299 T HN 0.867 nan 8.240 nan 0.000 0.477 300 C N 1.703 120.957 119.300 -0.075 0.000 2.626 300 C HA 0.474 4.934 4.460 0.000 0.000 0.266 300 C C 0.418 175.315 174.990 -0.155 0.000 1.317 300 C CA -0.492 58.454 59.018 -0.120 0.000 1.716 300 C CB -1.510 26.129 27.740 -0.168 0.000 1.819 300 C HN 0.748 nan 8.230 nan 0.000 0.578 301 D N 0.890 121.221 120.400 -0.116 0.000 2.505 301 D HA 0.356 4.996 4.640 0.000 0.000 0.250 301 D C -1.973 174.302 176.300 -0.042 0.000 1.164 301 D CA -1.848 52.093 54.000 -0.099 0.000 0.870 301 D CB 2.050 42.826 40.800 -0.040 0.000 1.160 301 D HN -0.116 nan 8.370 nan 0.000 0.549 302 P HA -0.079 nan 4.420 nan 0.000 0.217 302 P C 1.686 178.988 177.300 0.003 0.000 1.148 302 P CA 0.831 63.922 63.100 -0.015 0.000 0.828 302 P CB 0.373 32.071 31.700 -0.005 0.000 0.783 303 L N -0.790 120.449 121.223 0.027 0.000 2.191 303 L HA -0.167 4.173 4.340 0.000 0.000 0.212 303 L C 2.319 179.206 176.870 0.029 0.000 1.103 303 L CA 1.442 56.313 54.840 0.052 0.000 0.769 303 L CB -0.756 41.372 42.059 0.114 0.000 0.908 303 L HN 0.060 nan 8.230 nan 0.000 0.438 304 E N 0.149 120.356 120.200 0.012 0.000 2.046 304 E HA -0.165 4.185 4.350 0.000 0.000 0.190 304 E C 2.376 178.946 176.600 -0.050 0.000 0.982 304 E CA 1.023 57.412 56.400 -0.018 0.000 0.800 304 E CB -0.165 29.525 29.700 -0.017 0.000 0.756 304 E HN 0.470 nan 8.360 nan 0.000 0.449 305 A N 1.575 124.367 122.820 -0.046 0.000 1.940 305 A HA -0.175 4.145 4.320 0.000 0.000 0.219 305 A C 2.372 179.923 177.584 -0.056 0.000 1.176 305 A CA 1.852 53.853 52.037 -0.059 0.000 0.631 305 A CB -0.643 18.329 19.000 -0.047 0.000 0.814 305 A HN 0.296 nan 8.150 nan 0.000 0.446 306 A N 0.448 123.248 122.820 -0.034 0.000 1.930 306 A HA -0.119 4.201 4.320 0.000 0.000 0.217 306 A C 2.179 179.740 177.584 -0.037 0.000 1.175 306 A CA 1.546 53.566 52.037 -0.028 0.000 0.627 306 A CB -0.399 18.597 19.000 -0.006 0.000 0.815 306 A HN 0.719 nan 8.150 nan 0.000 0.443 307 R N -0.653 119.825 120.500 -0.037 0.000 2.300 307 R HA 0.457 4.797 4.340 0.000 0.000 0.199 307 R C 0.786 177.036 176.300 -0.084 0.000 0.920 307 R CA 0.563 56.640 56.100 -0.039 0.000 1.046 307 R CB -0.457 29.839 30.300 -0.007 0.000 0.984 307 R HN 0.255 nan 8.270 nan 0.000 0.493 308 A N 2.922 125.668 122.820 -0.123 0.000 2.546 308 A HA 0.162 4.483 4.320 0.000 0.000 0.243 308 A C -1.658 175.793 177.584 -0.220 0.000 1.063 308 A CA -1.073 50.845 52.037 -0.199 0.000 0.757 308 A CB 0.193 19.060 19.000 -0.221 0.000 0.991 308 A HN 0.230 nan 8.150 nan 0.000 0.503 309 P HA 0.064 nan 4.420 nan 0.000 0.245 309 P C -0.146 176.905 177.300 -0.415 0.000 1.212 309 P CA 0.728 63.549 63.100 -0.465 0.000 0.774 309 P CB -0.001 31.075 31.700 -1.041 0.000 0.999 310 M N -3.221 116.193 119.600 -0.310 0.000 2.682 310 M HA 0.644 5.124 4.480 0.000 0.000 0.272 310 M C -0.451 175.760 176.300 -0.149 0.000 1.232 310 M CA -0.417 54.772 55.300 -0.184 0.000 0.849 310 M CB 1.083 33.606 32.600 -0.129 0.000 1.695 310 M HN 0.040 nan 8.290 nan 0.000 0.481 311 G N 1.528 110.273 108.800 -0.092 0.000 2.707 311 G HA2 -0.010 3.950 3.960 0.000 0.000 0.686 311 G HA3 -0.010 3.950 3.960 0.000 0.000 0.686 311 G C -1.592 173.264 174.900 -0.073 0.000 1.315 311 G CA -0.366 44.687 45.100 -0.079 0.000 0.832 311 G HN 0.989 nan 8.290 nan 0.000 0.573 312 D N 0.080 120.446 120.400 -0.057 0.000 2.348 312 D HA 0.748 5.388 4.640 0.000 0.000 0.249 312 D C 0.702 176.966 176.300 -0.061 0.000 1.110 312 D CA 0.953 54.923 54.000 -0.050 0.000 0.967 312 D CB 1.648 42.428 40.800 -0.033 0.000 1.139 312 D HN 1.248 nan 8.370 nan 0.000 0.466 313 A N 0.591 123.379 122.820 -0.054 0.000 2.556 313 A HA 0.745 5.065 4.320 0.000 0.000 0.294 313 A C -1.144 176.415 177.584 -0.042 0.000 1.091 313 A CA -0.606 51.397 52.037 -0.056 0.000 0.704 313 A CB 1.204 20.163 19.000 -0.067 0.000 1.300 313 A HN 0.464 nan 8.150 nan 0.000 0.406 314 I N 1.034 121.580 120.570 -0.039 0.000 2.499 314 I HA 0.387 4.557 4.170 0.000 0.000 0.288 314 I C -0.954 175.143 176.117 -0.034 0.000 1.048 314 I CA -0.827 60.455 61.300 -0.031 0.000 1.062 314 I CB 2.305 40.290 38.000 -0.025 0.000 1.238 314 I HN 0.317 nan 8.210 nan 0.000 0.426 315 V N 5.785 125.680 119.914 -0.033 0.000 2.333 315 V HA 0.870 4.990 4.120 0.000 0.000 0.274 315 V C 0.237 176.310 176.094 -0.036 0.000 1.028 315 V CA -0.108 62.169 62.300 -0.038 0.000 0.851 315 V CB 0.644 32.445 31.823 -0.037 0.000 1.000 315 V HN 0.881 nan 8.190 nan 0.000 0.456 316 A N 3.645 126.442 122.820 -0.039 0.000 2.564 316 A HA 0.622 4.942 4.320 0.000 0.000 0.291 316 A C -1.190 176.371 177.584 -0.037 0.000 1.102 316 A CA -0.767 51.250 52.037 -0.033 0.000 0.660 316 A CB 1.068 20.054 19.000 -0.023 0.000 1.283 316 A HN 0.699 nan 8.150 nan 0.000 0.430 317 D N 0.118 120.500 120.400 -0.030 0.000 2.390 317 D HA 0.313 4.953 4.640 0.000 0.000 0.249 317 D C 1.076 177.366 176.300 -0.017 0.000 1.144 317 D CA -0.303 53.680 54.000 -0.028 0.000 0.880 317 D CB 0.377 41.166 40.800 -0.018 0.000 1.182 317 D HN 0.274 nan 8.370 nan 0.000 0.451 318 I N 3.640 124.200 120.570 -0.015 0.000 2.286 318 I HA -0.034 4.136 4.170 0.000 0.000 0.245 318 I C 2.333 178.455 176.117 0.008 0.000 1.104 318 I CA 1.067 62.367 61.300 -0.001 0.000 1.397 318 I CB -1.633 36.371 38.000 0.007 0.000 1.072 318 I HN 0.684 nan 8.210 nan 0.000 0.417 319 G N 0.914 109.720 108.800 0.009 0.000 2.446 319 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 319 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 319 G C 1.846 176.753 174.900 0.011 0.000 1.168 319 G CA 1.171 46.279 45.100 0.013 0.000 0.771 319 G HN 0.486 nan 8.290 nan 0.000 0.551 320 A N 0.065 122.889 122.820 0.007 0.000 1.930 320 A HA 0.098 4.418 4.320 0.000 0.000 0.217 320 A C 2.434 180.022 177.584 0.006 0.000 1.175 320 A CA 1.846 53.887 52.037 0.006 0.000 0.627 320 A CB -0.279 18.724 19.000 0.004 0.000 0.815 320 A HN 0.309 nan 8.150 nan 0.000 0.443 321 M N -0.599 119.003 119.600 0.004 0.000 2.156 321 M HA -0.010 4.470 4.480 0.000 0.000 0.264 321 M C 2.514 178.820 176.300 0.011 0.000 1.067 321 M CA 1.454 56.756 55.300 0.005 0.000 1.131 321 M CB -1.368 31.232 32.600 0.000 0.000 1.368 321 M HN 0.476 nan 8.290 nan 0.000 0.416 322 A N -0.631 122.198 122.820 0.015 0.000 1.933 322 A HA -0.142 4.178 4.320 0.000 0.000 0.218 322 A C 2.476 180.073 177.584 0.021 0.000 1.175 322 A CA 2.186 54.237 52.037 0.023 0.000 0.628 322 A CB -0.878 18.140 19.000 0.031 0.000 0.814 322 A HN 0.479 nan 8.150 nan 0.000 0.444 323 S N -0.423 115.287 115.700 0.016 0.000 2.368 323 S HA -0.040 4.430 4.470 0.000 0.000 0.225 323 S C 2.189 176.796 174.600 0.013 0.000 1.030 323 S CA 1.602 59.810 58.200 0.014 0.000 0.999 323 S CB -0.468 62.739 63.200 0.012 0.000 0.844 323 S HN 0.799 nan 8.310 nan 0.000 0.459 324 A N 1.377 124.204 122.820 0.011 0.000 1.898 324 A HA 0.080 4.400 4.320 0.000 0.000 0.216 324 A C 2.228 179.819 177.584 0.011 0.000 1.181 324 A CA 1.384 53.427 52.037 0.009 0.000 0.620 324 A CB -0.809 18.195 19.000 0.007 0.000 0.819 324 A HN 0.569 nan 8.150 nan 0.000 0.442 325 L N -0.785 120.446 121.223 0.013 0.000 2.046 325 L HA -0.186 4.154 4.340 0.000 0.000 0.208 325 L C 3.076 179.958 176.870 0.019 0.000 1.077 325 L CA 1.068 55.917 54.840 0.015 0.000 0.747 325 L CB -0.542 41.527 42.059 0.016 0.000 0.896 325 L HN 0.436 nan 8.230 nan 0.000 0.432 326 A N -0.131 122.702 122.820 0.022 0.000 1.972 326 A HA -0.172 4.148 4.320 0.000 0.000 0.219 326 A C 1.960 179.557 177.584 0.021 0.000 1.169 326 A CA 1.612 53.664 52.037 0.025 0.000 0.635 326 A CB -0.425 18.590 19.000 0.026 0.000 0.810 326 A HN 0.464 nan 8.150 nan 0.000 0.446 327 N N -0.755 117.955 118.700 0.016 0.000 2.373 327 N HA 0.138 4.878 4.740 0.000 0.000 0.181 327 N C 1.296 176.814 175.510 0.013 0.000 1.082 327 N CA 0.529 53.587 53.050 0.014 0.000 0.885 327 N CB 0.229 38.723 38.487 0.011 0.000 0.977 327 N HN 0.468 nan 8.380 nan 0.000 0.462 328 L N 0.587 121.818 121.223 0.013 0.000 2.425 328 L HA 0.145 4.485 4.340 0.000 0.000 0.215 328 L C 0.783 177.661 176.870 0.014 0.000 1.065 328 L CA 0.032 54.879 54.840 0.012 0.000 0.842 328 L CB 0.100 42.165 42.059 0.010 0.000 1.033 328 L HN -0.107 nan 8.230 nan 0.000 0.474 329 V N -1.248 118.676 119.914 0.016 0.000 2.963 329 V HA 0.094 4.214 4.120 0.000 0.000 0.306 329 V C 0.289 176.395 176.094 0.019 0.000 1.077 329 V CA -0.880 61.431 62.300 0.018 0.000 1.124 329 V CB 0.355 32.191 31.823 0.022 0.000 0.987 329 V HN 0.169 nan 8.190 nan 0.000 0.487 330 E N 1.343 121.554 120.200 0.018 0.000 2.404 330 E HA 0.165 4.515 4.350 0.000 0.000 0.261 330 E C -0.160 176.453 176.600 0.022 0.000 1.074 330 E CA -0.158 56.253 56.400 0.019 0.000 0.917 330 E CB 0.634 30.344 29.700 0.017 0.000 0.965 330 E HN 0.904 nan 8.360 nan 0.000 0.433 331 E N 1.699 121.912 120.200 0.022 0.000 2.166 331 E HA 0.031 4.381 4.350 0.000 0.000 0.279 331 E C -0.735 175.879 176.600 0.024 0.000 1.095 331 E CA -0.101 56.313 56.400 0.025 0.000 0.888 331 E CB 0.682 30.395 29.700 0.022 0.000 1.041 331 E HN 0.291 nan 8.360 nan 0.000 0.414 332 S N 3.043 118.760 115.700 0.028 0.000 2.572 332 S HA 0.041 4.511 4.470 0.000 0.000 0.279 332 S C 1.033 175.648 174.600 0.024 0.000 1.341 332 S CA 0.113 58.329 58.200 0.027 0.000 1.043 332 S CB 0.566 63.785 63.200 0.031 0.000 0.887 332 S HN 0.654 nan 8.310 nan 0.000 0.516 333 S N 4.113 119.825 115.700 0.021 0.000 2.562 333 S HA 0.152 4.622 4.470 0.000 0.000 0.221 333 S C 0.716 175.327 174.600 0.019 0.000 0.975 333 S CA -0.240 57.971 58.200 0.018 0.000 0.918 333 S CB -0.173 63.035 63.200 0.015 0.000 0.772 333 S HN 0.716 nan 8.310 nan 0.000 0.531 334 R N 1.603 122.117 120.500 0.023 0.000 2.827 334 R HA 0.147 4.487 4.340 0.000 0.000 0.269 334 R C 0.453 176.767 176.300 0.023 0.000 1.048 334 R CA -0.059 56.055 56.100 0.024 0.000 1.173 334 R CB 0.236 30.554 30.300 0.030 0.000 1.070 334 R HN 0.471 nan 8.270 nan 0.000 0.498 335 Q N 1.656 121.469 119.800 0.021 0.000 2.327 335 Q HA 0.080 4.420 4.340 0.000 0.000 0.254 335 Q C -0.666 175.348 176.000 0.024 0.000 0.952 335 Q CA -0.539 55.275 55.803 0.018 0.000 0.884 335 Q CB 0.890 29.635 28.738 0.013 0.000 1.224 335 Q HN 0.346 nan 8.270 nan 0.000 0.422 336 L N 6.430 127.667 121.223 0.023 0.000 2.540 336 L HA 0.168 4.508 4.340 0.000 0.000 0.276 336 L C -2.198 174.685 176.870 0.022 0.000 1.212 336 L CA -0.696 54.162 54.840 0.031 0.000 0.893 336 L CB 0.320 42.395 42.059 0.027 0.000 1.138 336 L HN 0.618 nan 8.230 nan 0.000 0.491 337 P HA 0.034 nan 4.420 nan 0.000 0.267 337 P C -1.075 176.225 177.300 0.000 0.000 1.195 337 P CA 0.021 63.127 63.100 0.010 0.000 0.773 337 P CB 0.230 31.930 31.700 0.001 0.000 0.837 338 T N -0.650 113.898 114.554 -0.009 0.000 2.882 338 T HA 0.616 4.966 4.350 0.000 0.000 0.287 338 T C 0.187 174.879 174.700 -0.013 0.000 0.992 338 T CA -0.944 61.148 62.100 -0.013 0.000 1.076 338 T CB 0.803 69.664 68.868 -0.011 0.000 0.961 338 T HN 0.425 nan 8.240 nan 0.000 0.490 339 A N 2.395 125.207 122.820 -0.012 0.000 2.531 339 A HA 0.557 4.877 4.320 0.000 0.000 0.236 339 A C 1.040 178.628 177.584 0.007 0.000 1.062 339 A CA -0.253 51.786 52.037 0.004 0.000 0.760 339 A CB -0.795 18.204 19.000 -0.002 0.000 0.995 339 A HN 1.527 nan 8.150 nan 0.000 0.501 340 A N 3.919 126.750 122.820 0.018 0.000 2.520 340 A HA 0.504 4.824 4.320 0.000 0.000 0.235 340 A C -1.556 176.040 177.584 0.020 0.000 1.065 340 A CA -0.706 51.339 52.037 0.012 0.000 0.764 340 A CB -0.720 18.292 19.000 0.019 0.000 1.002 340 A HN 0.765 nan 8.150 nan 0.000 0.502 341 P HA 0.311 nan 4.420 nan 0.000 0.274 341 P C -0.260 177.053 177.300 0.021 0.000 1.246 341 P CA -0.430 62.678 63.100 0.014 0.000 0.795 341 P CB 0.404 32.109 31.700 0.010 0.000 1.006 342 E N 1.497 121.708 120.200 0.019 0.000 2.418 342 E HA 0.147 4.497 4.350 0.000 0.000 0.261 342 E C -1.783 174.829 176.600 0.021 0.000 1.070 342 E CA -0.970 55.443 56.400 0.021 0.000 0.931 342 E CB -0.579 29.131 29.700 0.016 0.000 0.954 342 E HN 0.356 nan 8.360 nan 0.000 0.439 343 P HA 0.155 nan 4.420 nan 0.000 0.272 343 P C -1.279 176.031 177.300 0.018 0.000 1.230 343 P CA -0.398 62.715 63.100 0.023 0.000 0.788 343 P CB 0.832 32.548 31.700 0.028 0.000 0.949 344 A N 2.283 125.111 122.820 0.014 0.000 2.351 344 A HA 0.243 4.563 4.320 0.000 0.000 0.257 344 A C 0.253 177.842 177.584 0.009 0.000 1.087 344 A CA -0.529 51.513 52.037 0.009 0.000 0.798 344 A CB 0.012 19.014 19.000 0.004 0.000 1.033 344 A HN 0.448 nan 8.150 nan 0.000 0.488 345 K N 1.357 121.760 120.400 0.006 0.000 2.349 345 K HA 0.302 4.622 4.320 0.000 0.000 0.288 345 K C -0.669 175.924 176.600 -0.013 0.000 1.058 345 K CA -0.272 56.018 56.287 0.004 0.000 0.953 345 K CB 0.901 33.405 32.500 0.007 0.000 0.997 345 K HN 0.406 nan 8.250 nan 0.000 0.477 346 V N 3.478 123.376 119.914 -0.027 0.000 2.686 346 V HA -0.047 4.073 4.120 0.000 0.000 0.295 346 V C 0.266 176.314 176.094 -0.077 0.000 1.055 346 V CA -0.354 61.896 62.300 -0.083 0.000 1.050 346 V CB 0.744 32.478 31.823 -0.149 0.000 0.984 346 V HN 0.664 nan 8.190 nan 0.000 0.482 347 D N 3.239 123.587 120.400 -0.088 0.000 2.493 347 D HA 0.290 4.930 4.640 0.000 0.000 0.240 347 D C 0.004 176.305 176.300 0.002 0.000 1.142 347 D CA 0.412 54.391 54.000 -0.035 0.000 0.872 347 D CB 0.598 41.383 40.800 -0.025 0.000 1.173 347 D HN 0.577 nan 8.370 nan 0.000 0.467 348 Q N 2.130 121.969 119.800 0.065 0.000 2.275 348 Q HA 0.254 4.594 4.340 0.000 0.000 0.266 348 Q C -1.280 174.775 176.000 0.091 0.000 1.002 348 Q CA -0.822 55.066 55.803 0.142 0.000 0.761 348 Q CB 1.118 29.929 28.738 0.122 0.000 1.255 348 Q HN 0.385 nan 8.270 nan 0.000 0.446 349 D N 2.247 122.705 120.400 0.095 0.000 2.425 349 D HA 0.318 4.958 4.640 0.000 0.000 0.274 349 D C 0.101 176.422 176.300 0.034 0.000 1.242 349 D CA -0.058 53.974 54.000 0.054 0.000 1.060 349 D CB 0.396 41.225 40.800 0.049 0.000 1.112 349 D HN 0.475 nan 8.370 nan 0.000 0.561 350 A N -1.159 121.674 122.820 0.021 0.000 2.302 350 A HA 0.470 4.790 4.320 0.000 0.000 0.219 350 A C 1.031 178.617 177.584 0.003 0.000 1.243 350 A CA 0.485 52.529 52.037 0.012 0.000 0.856 350 A CB -0.939 18.068 19.000 0.011 0.000 0.893 350 A HN 0.559 nan 8.150 nan 0.000 0.491 351 G N -0.544 108.253 108.800 -0.004 0.000 2.945 351 G HA2 0.422 4.382 3.960 0.000 0.000 0.156 351 G HA3 0.422 4.382 3.960 0.000 0.000 0.156 351 G C 0.058 174.933 174.900 -0.040 0.000 1.375 351 G CA -0.932 44.157 45.100 -0.019 0.000 1.039 351 G HN 0.401 nan 8.290 nan 0.000 0.586 352 R N -0.630 119.832 120.500 -0.064 0.000 2.734 352 R HA 0.217 4.557 4.340 0.000 0.000 0.266 352 R C -0.295 175.919 176.300 -0.143 0.000 1.044 352 R CA -0.071 55.975 56.100 -0.090 0.000 1.128 352 R CB 0.345 30.588 30.300 -0.094 0.000 1.010 352 R HN 0.204 nan 8.270 nan 0.000 0.461 353 L N 3.509 124.659 121.223 -0.123 0.000 2.331 353 L HA 0.165 4.505 4.340 0.000 0.000 0.278 353 L C 0.597 177.362 176.870 -0.175 0.000 1.106 353 L CA -0.410 54.360 54.840 -0.117 0.000 0.824 353 L CB 0.520 42.531 42.059 -0.079 0.000 1.142 353 L HN 0.404 nan 8.230 nan 0.000 0.443 354 H N 3.980 123.038 119.070 -0.020 0.000 2.815 354 H HA 0.043 4.599 4.556 0.000 0.000 0.350 354 H C -1.537 173.766 175.328 -0.042 0.000 1.080 354 H CA -1.437 54.604 56.048 -0.012 0.000 1.433 354 H CB 1.049 30.815 29.762 0.007 0.000 1.432 354 H HN 0.381 nan 8.280 nan 0.000 0.592 355 P HA -0.159 nan 4.420 nan 0.000 0.216 355 P C 1.064 178.376 177.300 0.021 0.000 1.150 355 P CA 1.312 64.397 63.100 -0.024 0.000 0.843 355 P CB 0.405 32.173 31.700 0.114 0.000 0.787 356 E N -1.104 119.191 120.200 0.159 0.000 2.118 356 E HA -0.142 4.208 4.350 0.000 0.000 0.195 356 E C 1.947 178.611 176.600 0.106 0.000 0.992 356 E CA 1.736 58.243 56.400 0.178 0.000 0.804 356 E CB -1.398 28.367 29.700 0.108 0.000 0.741 356 E HN 0.260 nan 8.360 nan 0.000 0.458 357 T N 0.203 114.798 114.554 0.069 0.000 2.777 357 T HA -0.116 4.234 4.350 0.000 0.000 0.266 357 T C 2.020 176.701 174.700 -0.031 0.000 1.040 357 T CA 1.197 63.317 62.100 0.033 0.000 1.141 357 T CB -0.302 68.598 68.868 0.053 0.000 0.868 357 T HN -0.019 nan 8.240 nan 0.000 0.444 358 V N 0.951 120.783 119.914 -0.137 0.000 2.287 358 V HA -0.145 3.975 4.120 0.000 0.000 0.248 358 V C 2.159 178.091 176.094 -0.271 0.000 1.053 358 V CA 1.693 63.833 62.300 -0.267 0.000 1.027 358 V CB -0.856 30.696 31.823 -0.452 0.000 0.646 358 V HN 0.371 nan 8.190 nan 0.000 0.447 359 F N 0.517 120.453 119.950 -0.024 0.000 2.186 359 F HA -0.082 4.445 4.527 0.000 0.000 0.299 359 F C 2.246 178.016 175.800 -0.050 0.000 1.090 359 F CA 1.264 59.226 58.000 -0.064 0.000 1.307 359 F CB -0.795 38.153 39.000 -0.087 0.000 1.019 359 F HN 0.190 nan 8.300 nan 0.000 0.489 360 D N -0.459 120.019 120.400 0.130 0.000 2.117 360 D HA -0.125 4.515 4.640 0.000 0.000 0.197 360 D C 2.284 178.614 176.300 0.050 0.000 0.987 360 D CA 1.737 55.782 54.000 0.075 0.000 0.829 360 D CB -0.680 40.154 40.800 0.056 0.000 0.961 360 D HN 0.177 nan 8.370 nan 0.000 0.460 361 T N 0.950 115.522 114.554 0.030 0.000 2.777 361 T HA -0.044 4.306 4.350 0.000 0.000 0.266 361 T C 2.233 176.955 174.700 0.037 0.000 1.040 361 T CA 0.457 62.569 62.100 0.021 0.000 1.141 361 T CB -0.258 68.610 68.868 -0.001 0.000 0.868 361 T HN 0.110 nan 8.240 nan 0.000 0.444 362 L N 1.222 122.474 121.223 0.047 0.000 2.012 362 L HA -0.169 4.171 4.340 0.000 0.000 0.210 362 L C 2.632 179.579 176.870 0.127 0.000 1.073 362 L CA 1.426 56.328 54.840 0.103 0.000 0.748 362 L CB -0.626 41.526 42.059 0.154 0.000 0.891 362 L HN 0.268 nan 8.230 nan 0.000 0.431 363 N N -0.081 118.676 118.700 0.094 0.000 2.166 363 N HA -0.209 4.531 4.740 0.000 0.000 0.186 363 N C 1.445 176.995 175.510 0.067 0.000 1.019 363 N CA 1.434 54.532 53.050 0.081 0.000 0.856 363 N CB -0.014 38.496 38.487 0.038 0.000 0.993 363 N HN 0.218 nan 8.380 nan 0.000 0.426 364 D N -0.637 119.794 120.400 0.052 0.000 2.144 364 D HA -0.073 4.567 4.640 0.000 0.000 0.200 364 D C 1.599 177.920 176.300 0.036 0.000 0.978 364 D CA 1.063 55.085 54.000 0.036 0.000 0.833 364 D CB 0.004 40.821 40.800 0.028 0.000 0.961 364 D HN 0.467 nan 8.370 nan 0.000 0.470 365 M N -0.206 119.420 119.600 0.044 0.000 2.571 365 M HA 0.224 4.704 4.480 0.000 0.000 0.259 365 M C 0.846 177.166 176.300 0.033 0.000 1.205 365 M CA -0.118 55.202 55.300 0.032 0.000 1.138 365 M CB 0.702 33.318 32.600 0.027 0.000 1.329 365 M HN -0.196 nan 8.290 nan 0.000 0.503 366 A N 2.543 125.397 122.820 0.058 0.000 2.425 366 A HA 0.397 4.717 4.320 0.000 0.000 0.242 366 A C -2.091 175.503 177.584 0.017 0.000 1.077 366 A CA -1.047 51.014 52.037 0.039 0.000 0.781 366 A CB -0.707 18.353 19.000 0.099 0.000 1.020 366 A HN 0.115 nan 8.150 nan 0.000 0.494 367 P HA 0.102 nan 4.420 nan 0.000 0.270 367 P C 0.091 177.380 177.300 -0.018 0.000 1.223 367 P CA -0.081 63.006 63.100 -0.023 0.000 0.785 367 P CB 0.517 32.191 31.700 -0.043 0.000 0.923 368 E N 0.681 120.873 120.200 -0.013 0.000 2.338 368 E HA -0.134 4.216 4.350 0.000 0.000 0.197 368 E C 0.822 177.409 176.600 -0.022 0.000 1.007 368 E CA 0.756 57.152 56.400 -0.007 0.000 0.849 368 E CB -0.186 29.508 29.700 -0.011 0.000 0.774 368 E HN 0.506 nan 8.360 nan 0.000 0.506 369 N N 0.433 119.109 118.700 -0.041 0.000 2.273 369 N HA 0.104 4.844 4.740 0.000 0.000 0.231 369 N C -0.126 175.326 175.510 -0.096 0.000 1.134 369 N CA -0.092 52.925 53.050 -0.055 0.000 0.856 369 N CB 0.124 38.584 38.487 -0.045 0.000 1.068 369 N HN -0.079 nan 8.380 nan 0.000 0.510 370 A N 0.755 123.487 122.820 -0.146 0.000 2.492 370 A HA 0.384 4.704 4.320 0.000 0.000 0.236 370 A C 0.091 177.470 177.584 -0.342 0.000 1.078 370 A CA 0.021 51.877 52.037 -0.302 0.000 0.773 370 A CB 0.024 18.720 19.000 -0.506 0.000 1.023 370 A HN 0.412 nan 8.150 nan 0.000 0.504 371 I N 0.690 121.035 120.570 -0.375 0.000 2.436 371 I HA 0.357 4.527 4.170 0.000 0.000 0.289 371 I C -1.237 174.677 176.117 -0.339 0.000 1.010 371 I CA -0.307 60.856 61.300 -0.228 0.000 1.098 371 I CB 1.533 39.508 38.000 -0.042 0.000 1.266 371 I HN 0.609 nan 8.210 nan 0.000 0.434 372 Y N 5.949 126.256 120.300 0.013 0.000 2.420 372 Y HA 0.655 5.205 4.550 0.000 0.000 0.334 372 Y C -0.436 175.441 175.900 -0.038 0.000 1.094 372 Y CA -0.796 57.298 58.100 -0.010 0.000 1.126 372 Y CB 1.512 39.969 38.460 -0.005 0.000 1.217 372 Y HN 0.311 nan 8.280 nan 0.000 0.462 373 L N 2.741 124.027 121.223 0.104 0.000 2.362 373 L HA 0.462 4.803 4.340 0.000 0.000 0.271 373 L C -0.733 176.103 176.870 -0.058 0.000 1.002 373 L CA -0.622 54.219 54.840 0.002 0.000 0.818 373 L CB 1.749 43.834 42.059 0.044 0.000 1.298 373 L HN 0.581 nan 8.230 nan 0.000 0.420 374 N N 1.662 120.234 118.700 -0.213 0.000 2.407 374 N HA 0.332 5.072 4.740 0.000 0.000 0.277 374 N C -0.871 174.524 175.510 -0.193 0.000 0.995 374 N CA -0.234 52.641 53.050 -0.292 0.000 0.903 374 N CB 1.456 39.556 38.487 -0.646 0.000 1.218 374 N HN 0.669 nan 8.380 nan 0.000 0.487 375 E N 1.795 121.966 120.200 -0.048 0.000 4.170 375 E HA 0.130 4.480 4.350 0.000 0.000 0.199 375 E C -1.402 175.251 176.600 0.089 0.000 1.080 375 E CA -0.094 56.371 56.400 0.109 0.000 1.446 375 E CB 0.177 30.010 29.700 0.223 0.000 1.170 375 E HN 0.352 nan 8.360 nan 0.000 0.429 376 S N 0.317 116.014 115.700 -0.006 0.000 2.426 376 S HA 0.107 4.577 4.470 0.000 0.000 0.236 376 S C 1.189 175.822 174.600 0.054 0.000 1.368 376 S CA -0.214 58.023 58.200 0.061 0.000 1.154 376 S CB 0.402 63.658 63.200 0.093 0.000 1.037 376 S HN 0.400 nan 8.310 nan 0.000 0.481 377 T N 0.707 115.341 114.554 0.133 0.000 2.915 377 T HA -0.112 4.238 4.350 0.000 0.000 0.269 377 T C 1.766 176.528 174.700 0.103 0.000 1.071 377 T CA 1.368 63.584 62.100 0.194 0.000 1.132 377 T CB -0.430 68.591 68.868 0.256 0.000 0.878 377 T HN 0.664 nan 8.240 nan 0.000 0.479 378 S N 1.361 117.096 115.700 0.059 0.000 2.575 378 S HA 0.062 4.532 4.470 0.000 0.000 0.215 378 S C 1.639 176.226 174.600 -0.021 0.000 0.966 378 S CA 0.343 58.528 58.200 -0.025 0.000 0.911 378 S CB -0.545 62.658 63.200 0.005 0.000 0.780 378 S HN 0.707 nan 8.310 nan 0.000 0.514 379 T N -3.067 111.512 114.554 0.041 0.000 3.132 379 T HA 0.239 4.589 4.350 0.000 0.000 0.274 379 T C 1.158 175.864 174.700 0.010 0.000 1.011 379 T CA 0.122 62.277 62.100 0.093 0.000 0.899 379 T CB -0.111 68.927 68.868 0.283 0.000 1.089 379 T HN 0.153 nan 8.240 nan 0.000 0.543 380 T N 2.163 116.710 114.554 -0.011 0.000 2.746 380 T HA 0.028 4.378 4.350 0.000 0.000 0.267 380 T C 2.405 177.147 174.700 0.070 0.000 1.039 380 T CA 1.490 63.597 62.100 0.012 0.000 1.142 380 T CB -0.637 68.331 68.868 0.167 0.000 0.866 380 T HN 0.626 nan 8.240 nan 0.000 0.444 381 A N 1.338 124.179 122.820 0.035 0.000 1.908 381 A HA -0.193 4.127 4.320 0.000 0.000 0.218 381 A C 2.275 179.862 177.584 0.005 0.000 1.181 381 A CA 1.711 53.767 52.037 0.032 0.000 0.627 381 A CB -0.652 18.333 19.000 -0.026 0.000 0.818 381 A HN 0.489 nan 8.150 nan 0.000 0.445 382 Q N -1.165 118.607 119.800 -0.046 0.000 2.119 382 Q HA -0.030 4.310 4.340 0.000 0.000 0.201 382 Q C 2.115 177.932 176.000 -0.306 0.000 0.972 382 Q CA 1.549 57.313 55.803 -0.066 0.000 0.847 382 Q CB -0.372 28.407 28.738 0.069 0.000 0.903 382 Q HN 0.775 nan 8.270 nan 0.000 0.433 383 M N -1.128 118.057 119.600 -0.691 0.000 2.117 383 M HA -0.182 4.298 4.480 0.000 0.000 0.262 383 M C 1.083 177.020 176.300 -0.605 0.000 1.065 383 M CA 1.617 56.180 55.300 -1.228 0.000 1.114 383 M CB -0.069 31.779 32.600 -1.254 0.000 1.361 383 M HN 0.295 nan 8.290 nan 0.000 0.408 384 W N 0.662 121.732 121.300 -0.384 0.000 2.425 384 W HA -0.136 4.524 4.660 0.000 0.000 0.277 384 W C 2.321 178.751 176.519 -0.147 0.000 1.231 384 W CA 1.118 58.309 57.345 -0.257 0.000 1.248 384 W CB -0.021 29.331 29.460 -0.181 0.000 1.117 384 W HN 0.353 nan 8.180 nan 0.000 0.568 385 Q N -0.813 119.034 119.800 0.079 0.000 2.212 385 Q HA -0.043 4.297 4.340 0.000 0.000 0.199 385 Q C 2.004 178.011 176.000 0.012 0.000 0.950 385 Q CA 0.897 56.740 55.803 0.068 0.000 0.863 385 Q CB -0.095 28.669 28.738 0.042 0.000 0.944 385 Q HN 0.204 nan 8.270 nan 0.000 0.465 386 R N -0.466 119.993 120.500 -0.069 0.000 2.265 386 R HA 0.205 4.545 4.340 0.000 0.000 0.194 386 R C -0.103 176.147 176.300 -0.082 0.000 0.931 386 R CA 0.080 56.153 56.100 -0.044 0.000 1.032 386 R CB 0.610 30.924 30.300 0.022 0.000 0.980 386 R HN 0.057 nan 8.270 nan 0.000 0.497 387 L N 1.224 122.330 121.223 -0.196 0.000 2.287 387 L HA 0.292 4.632 4.340 0.000 0.000 0.287 387 L C -0.469 176.307 176.870 -0.156 0.000 1.022 387 L CA -0.546 54.146 54.840 -0.246 0.000 0.814 387 L CB 1.607 43.325 42.059 -0.568 0.000 1.217 387 L HN 0.109 nan 8.230 nan 0.000 0.420 388 N N 4.759 123.417 118.700 -0.069 0.000 2.401 388 N HA 0.304 5.044 4.740 0.000 0.000 0.255 388 N C -0.820 174.671 175.510 -0.032 0.000 1.110 388 N CA -0.392 52.628 53.050 -0.049 0.000 0.949 388 N CB 0.546 39.023 38.487 -0.017 0.000 1.110 388 N HN 0.565 nan 8.380 nan 0.000 0.490 389 M N 3.682 123.231 119.600 -0.085 0.000 2.060 389 M HA 0.233 4.713 4.480 0.000 0.000 0.342 389 M C 0.840 177.078 176.300 -0.103 0.000 1.031 389 M CA -0.434 54.829 55.300 -0.061 0.000 0.981 389 M CB 1.529 34.066 32.600 -0.105 0.000 1.376 389 M HN 0.489 nan 8.290 nan 0.000 0.397 390 R N 0.472 120.929 120.500 -0.072 0.000 2.161 390 R HA 0.124 4.464 4.340 0.000 0.000 0.213 390 R C 0.328 176.567 176.300 -0.102 0.000 1.055 390 R CA 0.721 56.766 56.100 -0.092 0.000 0.996 390 R CB 0.242 30.505 30.300 -0.062 0.000 0.901 390 R HN 0.605 nan 8.270 nan 0.000 0.456 391 N N 0.801 119.456 118.700 -0.075 0.000 2.443 391 N HA 0.301 5.041 4.740 0.000 0.000 0.293 391 N C -2.624 172.852 175.510 -0.058 0.000 1.159 391 N CA -1.692 51.319 53.050 -0.065 0.000 0.904 391 N CB 1.184 39.645 38.487 -0.045 0.000 1.214 391 N HN -0.220 nan 8.380 nan 0.000 0.513 392 P HA 0.094 nan 4.420 nan 0.000 0.271 392 P C 0.499 177.792 177.300 -0.012 0.000 1.244 392 P CA 0.310 63.395 63.100 -0.025 0.000 0.793 392 P CB 0.258 31.951 31.700 -0.012 0.000 0.984 393 G N 0.268 109.062 108.800 -0.010 0.000 2.273 393 G HA2 -0.254 3.706 3.960 0.000 0.000 0.280 393 G HA3 -0.254 3.706 3.960 0.000 0.000 0.280 393 G C 0.613 175.511 174.900 -0.003 0.000 1.047 393 G CA 0.471 45.585 45.100 0.022 0.000 0.869 393 G HN 0.444 nan 8.290 nan 0.000 0.502 394 S N -1.564 114.092 115.700 -0.074 0.000 2.539 394 S HA 0.391 4.861 4.470 0.000 0.000 0.221 394 S C -0.024 174.591 174.600 0.025 0.000 0.987 394 S CA 0.260 58.452 58.200 -0.014 0.000 0.929 394 S CB 0.539 63.742 63.200 0.005 0.000 0.832 394 S HN 0.782 nan 8.310 nan 0.000 0.492 395 Y N 0.629 120.707 120.300 -0.369 0.000 2.479 395 Y HA 0.557 5.107 4.550 0.000 0.000 0.338 395 Y C -2.143 173.410 175.900 -0.579 0.000 1.055 395 Y CA -1.258 56.649 58.100 -0.321 0.000 1.023 395 Y CB 1.066 39.304 38.460 -0.371 0.000 1.287 395 Y HN 0.048 nan 8.280 nan 0.000 0.447 396 Y N 6.016 126.086 120.300 -0.383 0.000 2.457 396 Y HA 0.640 5.190 4.550 0.000 0.000 0.343 396 Y C -1.550 174.214 175.900 -0.227 0.000 0.994 396 Y CA -1.138 56.888 58.100 -0.123 0.000 1.031 396 Y CB 2.130 40.712 38.460 0.205 0.000 1.246 396 Y HN 0.548 nan 8.280 nan 0.000 0.449 397 F N 2.898 122.809 119.950 -0.066 0.000 2.573 397 F HA 0.420 4.947 4.527 0.000 0.000 0.316 397 F C -0.338 175.368 175.800 -0.157 0.000 1.148 397 F CA -2.367 55.609 58.000 -0.040 0.000 0.940 397 F CB 0.637 39.663 39.000 0.044 0.000 1.214 397 F HN 0.761 nan 8.300 nan 0.000 0.448 398 C N 4.173 123.433 119.300 -0.068 0.000 2.067 398 C HA 0.359 4.819 4.460 0.000 0.000 0.408 398 C C 1.590 176.288 174.990 -0.486 0.000 1.539 398 C CA 0.098 58.792 59.018 -0.541 0.000 1.434 398 C CB -1.572 26.054 27.740 -0.191 0.000 2.621 398 C HN 0.954 nan 8.230 nan 0.000 0.610 399 A N 3.340 125.885 122.820 -0.459 0.000 2.015 399 A HA 0.296 4.616 4.320 0.000 0.000 0.219 399 A C 2.229 179.679 177.584 -0.222 0.000 1.163 399 A CA 1.495 53.362 52.037 -0.283 0.000 0.646 399 A CB -0.400 18.467 19.000 -0.221 0.000 0.806 399 A HN 1.695 nan 8.150 nan 0.000 0.448 400 A N -1.931 120.767 122.820 -0.203 0.000 2.387 400 A HA 0.460 4.780 4.320 0.000 0.000 0.234 400 A C 1.609 179.093 177.584 -0.167 0.000 1.253 400 A CA 0.960 52.918 52.037 -0.132 0.000 0.894 400 A CB -0.777 18.186 19.000 -0.063 0.000 0.963 400 A HN 1.754 nan 8.150 nan 0.000 0.508 401 G N -1.173 107.472 108.800 -0.257 0.000 2.162 401 G HA2 -0.109 3.851 3.960 0.000 0.000 0.260 401 G HA3 -0.109 3.851 3.960 0.000 0.000 0.260 401 G C 0.676 175.471 174.900 -0.175 0.000 0.976 401 G CA 0.218 45.161 45.100 -0.262 0.000 0.655 401 G HN 1.466 nan 8.290 nan 0.000 0.533 402 G N 0.333 109.045 108.800 -0.146 0.000 2.365 402 G HA2 0.574 4.534 3.960 0.000 0.000 0.293 402 G HA3 0.574 4.534 3.960 0.000 0.000 0.293 402 G C 0.549 175.383 174.900 -0.110 0.000 1.128 402 G CA -0.535 44.493 45.100 -0.119 0.000 0.971 402 G HN 0.618 nan 8.290 nan 0.000 0.422 403 L N 1.785 122.855 121.223 -0.254 0.000 2.467 403 L HA 0.405 4.745 4.340 0.000 0.000 0.270 403 L C 1.552 178.277 176.870 -0.242 0.000 1.205 403 L CA 0.834 55.484 54.840 -0.317 0.000 0.828 403 L CB 0.767 42.390 42.059 -0.727 0.000 1.101 403 L HN 0.820 nan 8.230 nan 0.000 0.479 404 G N 1.339 110.152 108.800 0.023 0.000 2.163 404 G HA2 -0.317 3.643 3.960 0.000 0.000 0.213 404 G HA3 -0.317 3.643 3.960 0.000 0.000 0.213 404 G C 0.267 175.277 174.900 0.183 0.000 0.991 404 G CA 0.321 45.526 45.100 0.174 0.000 0.653 404 G HN 0.649 nan 8.290 nan 0.000 0.518 405 F N 1.623 121.605 119.950 0.053 0.000 2.188 405 F HA 0.499 5.026 4.527 0.000 0.000 0.289 405 F C 2.467 178.312 175.800 0.075 0.000 1.082 405 F CA 2.015 60.048 58.000 0.055 0.000 1.282 405 F CB -0.399 38.632 39.000 0.051 0.000 1.060 405 F HN 0.235 nan 8.300 nan 0.000 0.493 406 A N 0.814 123.669 122.820 0.058 0.000 1.930 406 A HA -0.085 4.235 4.320 0.000 0.000 0.217 406 A C 2.280 179.825 177.584 -0.065 0.000 1.175 406 A CA 1.511 53.497 52.037 -0.085 0.000 0.627 406 A CB -1.197 17.892 19.000 0.149 0.000 0.815 406 A HN 0.572 nan 8.150 nan 0.000 0.443 407 L N 0.253 121.512 121.223 0.061 0.000 1.976 407 L HA -0.081 4.259 4.340 0.000 0.000 0.209 407 L C -0.386 176.556 176.870 0.119 0.000 1.071 407 L CA 1.926 56.867 54.840 0.168 0.000 0.746 407 L CB -0.759 41.366 42.059 0.110 0.000 0.890 407 L HN 0.253 nan 8.230 nan 0.000 0.432 408 P HA -0.164 nan 4.420 nan 0.000 0.216 408 P C 1.331 178.537 177.300 -0.156 0.000 1.153 408 P CA 2.046 65.123 63.100 -0.040 0.000 0.848 408 P CB -0.127 31.546 31.700 -0.044 0.000 0.787 409 A N 0.746 123.331 122.820 -0.393 0.000 1.940 409 A HA -0.106 4.214 4.320 0.000 0.000 0.219 409 A C 2.489 179.863 177.584 -0.351 0.000 1.176 409 A CA 2.239 53.942 52.037 -0.556 0.000 0.631 409 A CB -1.577 16.620 19.000 -1.338 0.000 0.814 409 A HN 0.246 nan 8.150 nan 0.000 0.446 410 A N -0.346 122.335 122.820 -0.232 0.000 2.019 410 A HA -0.013 4.307 4.320 0.000 0.000 0.219 410 A C 2.038 179.552 177.584 -0.116 0.000 1.164 410 A CA 1.378 53.317 52.037 -0.163 0.000 0.644 410 A CB -0.530 18.389 19.000 -0.135 0.000 0.805 410 A HN 0.533 nan 8.150 nan 0.000 0.449 411 I N -0.691 119.865 120.570 -0.024 0.000 2.286 411 I HA -0.117 4.053 4.170 0.000 0.000 0.245 411 I C 2.694 178.817 176.117 0.010 0.000 1.104 411 I CA 1.008 62.327 61.300 0.033 0.000 1.397 411 I CB -0.590 37.482 38.000 0.120 0.000 1.072 411 I HN 0.368 nan 8.210 nan 0.000 0.417 412 G N 0.639 109.417 108.800 -0.037 0.000 2.422 412 G HA2 -0.167 3.793 3.960 0.000 0.000 0.218 412 G HA3 -0.167 3.793 3.960 0.000 0.000 0.218 412 G C 1.716 176.642 174.900 0.042 0.000 1.146 412 G CA 0.761 45.869 45.100 0.014 0.000 0.769 412 G HN 0.221 nan 8.290 nan 0.000 0.547 413 V N 0.541 120.392 119.914 -0.103 0.000 2.343 413 V HA -0.214 3.906 4.120 0.000 0.000 0.247 413 V C 2.758 178.822 176.094 -0.050 0.000 1.051 413 V CA 2.246 64.467 62.300 -0.132 0.000 1.036 413 V CB -0.381 31.309 31.823 -0.222 0.000 0.654 413 V HN 0.437 nan 8.190 nan 0.000 0.451 414 Q N -0.179 119.595 119.800 -0.043 0.000 2.167 414 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 414 Q C 1.930 177.948 176.000 0.030 0.000 0.970 414 Q CA 1.631 57.418 55.803 -0.027 0.000 0.855 414 Q CB -0.468 28.235 28.738 -0.058 0.000 0.911 414 Q HN 0.549 nan 8.270 nan 0.000 0.438 415 L N -0.116 121.161 121.223 0.091 0.000 2.083 415 L HA 0.003 4.343 4.340 0.000 0.000 0.209 415 L C 2.001 179.012 176.870 0.236 0.000 1.083 415 L CA 2.065 57.004 54.840 0.166 0.000 0.752 415 L CB -0.815 41.369 42.059 0.208 0.000 0.899 415 L HN 0.247 nan 8.230 nan 0.000 0.433 416 A N -1.588 121.345 122.820 0.188 0.000 2.014 416 A HA -0.025 4.295 4.320 0.000 0.000 0.218 416 A C 1.097 178.662 177.584 -0.032 0.000 1.163 416 A CA 1.022 53.038 52.037 -0.035 0.000 0.652 416 A CB -0.186 18.634 19.000 -0.301 0.000 0.808 416 A HN 0.443 nan 8.150 nan 0.000 0.449 417 E N -0.530 119.664 120.200 -0.010 0.000 3.303 417 E HA 0.165 4.515 4.350 0.000 0.000 0.215 417 E C -2.237 174.356 176.600 -0.011 0.000 1.181 417 E CA -1.544 54.845 56.400 -0.018 0.000 0.998 417 E CB 0.960 30.645 29.700 -0.025 0.000 1.312 417 E HN 0.360 nan 8.360 nan 0.000 0.412 418 P HA -0.086 nan 4.420 nan 0.000 0.225 418 P C 0.547 177.839 177.300 -0.012 0.000 1.148 418 P CA 0.944 64.044 63.100 0.001 0.000 0.779 418 P CB 0.516 32.224 31.700 0.013 0.000 0.780 419 E N -0.782 119.408 120.200 -0.017 0.000 2.481 419 E HA 0.122 4.472 4.350 0.000 0.000 0.198 419 E C 0.438 177.018 176.600 -0.034 0.000 1.027 419 E CA -0.113 56.274 56.400 -0.022 0.000 0.900 419 E CB 0.275 29.964 29.700 -0.018 0.000 0.993 419 E HN 0.271 nan 8.360 nan 0.000 0.482 420 R N 1.543 122.018 120.500 -0.042 0.000 2.343 420 R HA 0.205 4.545 4.340 0.000 0.000 0.320 420 R C -0.489 175.762 176.300 -0.082 0.000 0.956 420 R CA -0.767 55.297 56.100 -0.060 0.000 0.836 420 R CB 1.344 31.611 30.300 -0.054 0.000 1.151 420 R HN -0.086 nan 8.270 nan 0.000 0.450 421 Q N 2.592 122.331 119.800 -0.102 0.000 2.262 421 Q HA 0.083 4.423 4.340 0.000 0.000 0.272 421 Q C -0.839 175.052 176.000 -0.180 0.000 1.076 421 Q CA 0.220 55.948 55.803 -0.126 0.000 0.905 421 Q CB 0.737 29.404 28.738 -0.118 0.000 1.182 421 Q HN 0.371 nan 8.270 nan 0.000 0.390 422 V N 6.681 126.491 119.914 -0.174 0.000 2.509 422 V HA 0.396 4.516 4.120 0.000 0.000 0.284 422 V C 0.179 176.129 176.094 -0.239 0.000 1.047 422 V CA -0.399 61.779 62.300 -0.204 0.000 0.952 422 V CB 1.128 32.845 31.823 -0.177 0.000 0.988 422 V HN 0.724 nan 8.190 nan 0.000 0.469 423 I N 4.094 124.528 120.570 -0.228 0.000 2.468 423 I HA 0.585 4.755 4.170 0.000 0.000 0.284 423 I C 0.091 176.183 176.117 -0.041 0.000 1.038 423 I CA -0.467 60.746 61.300 -0.144 0.000 1.083 423 I CB 1.702 39.659 38.000 -0.072 0.000 1.223 423 I HN 0.643 nan 8.210 nan 0.000 0.443 424 A N 6.531 129.298 122.820 -0.088 0.000 2.274 424 A HA 0.726 5.046 4.320 0.000 0.000 0.309 424 A C -0.428 177.203 177.584 0.078 0.000 1.226 424 A CA -0.435 51.608 52.037 0.009 0.000 0.853 424 A CB 0.873 19.882 19.000 0.014 0.000 1.146 424 A HN 0.454 nan 8.150 nan 0.000 0.518 425 V N 4.870 124.845 119.914 0.102 0.000 2.311 425 V HA 0.393 4.513 4.120 0.000 0.000 0.275 425 V C -0.303 175.837 176.094 0.077 0.000 1.022 425 V CA 0.059 62.417 62.300 0.097 0.000 0.830 425 V CB 0.293 32.223 31.823 0.177 0.000 1.012 425 V HN 0.722 nan 8.190 nan 0.000 0.452 426 I N 3.592 124.197 120.570 0.058 0.000 2.533 426 I HA 0.563 4.733 4.170 0.000 0.000 0.290 426 I C 0.934 177.062 176.117 0.019 0.000 1.056 426 I CA -0.540 60.799 61.300 0.066 0.000 1.057 426 I CB 2.086 40.143 38.000 0.096 0.000 1.240 426 I HN 0.653 nan 8.210 nan 0.000 0.423 427 G N 2.978 111.816 108.800 0.063 0.000 2.594 427 G HA2 0.037 3.997 3.960 0.000 0.000 0.243 427 G HA3 0.037 3.997 3.960 0.000 0.000 0.243 427 G C 0.835 175.743 174.900 0.014 0.000 1.229 427 G CA -0.235 44.898 45.100 0.055 0.000 0.843 427 G HN 0.831 nan 8.290 nan 0.000 0.578 428 D N 0.433 120.819 120.400 -0.023 0.000 2.178 428 D HA -0.102 4.538 4.640 0.000 0.000 0.201 428 D C 2.120 178.575 176.300 0.258 0.000 0.980 428 D CA 1.298 55.281 54.000 -0.028 0.000 0.842 428 D CB -0.753 40.115 40.800 0.112 0.000 0.948 428 D HN 0.463 nan 8.370 nan 0.000 0.472 429 G N 0.541 109.517 108.800 0.294 0.000 2.414 429 G HA2 -0.221 3.739 3.960 0.000 0.000 0.215 429 G HA3 -0.221 3.739 3.960 0.000 0.000 0.215 429 G C 1.860 177.093 174.900 0.556 0.000 1.188 429 G CA 0.978 46.371 45.100 0.488 0.000 0.783 429 G HN 0.336 nan 8.290 nan 0.000 0.537 430 S N 1.134 117.124 115.700 0.483 0.000 2.419 430 S HA -0.039 4.431 4.470 0.000 0.000 0.235 430 S C 2.682 177.551 174.600 0.448 0.000 1.019 430 S CA 1.097 59.592 58.200 0.491 0.000 0.982 430 S CB -0.318 63.051 63.200 0.281 0.000 0.789 430 S HN 0.586 nan 8.310 nan 0.000 0.490 431 A N 2.459 125.460 122.820 0.302 0.000 2.019 431 A HA -0.132 4.188 4.320 0.000 0.000 0.219 431 A C 1.863 179.620 177.584 0.288 0.000 1.164 431 A CA 1.265 53.448 52.037 0.243 0.000 0.644 431 A CB -0.448 18.635 19.000 0.137 0.000 0.805 431 A HN 0.507 nan 8.150 nan 0.000 0.449 432 N N -1.251 117.623 118.700 0.290 0.000 2.300 432 N HA -0.114 4.626 4.740 0.000 0.000 0.179 432 N C 1.395 176.957 175.510 0.086 0.000 1.016 432 N CA 1.252 54.389 53.050 0.144 0.000 0.876 432 N CB -0.444 38.059 38.487 0.027 0.000 0.979 432 N HN 0.636 nan 8.380 nan 0.000 0.432 433 Y N 1.418 121.806 120.300 0.147 0.000 2.151 433 Y HA -0.071 4.479 4.550 0.000 0.000 0.284 433 Y C 1.539 177.494 175.900 0.092 0.000 1.166 433 Y CA 1.018 59.188 58.100 0.117 0.000 1.163 433 Y CB -0.019 38.513 38.460 0.120 0.000 0.974 433 Y HN -0.077 nan 8.280 nan 0.000 0.511 434 S N -0.744 115.098 115.700 0.237 0.000 2.668 434 S HA 0.141 4.611 4.470 0.000 0.000 0.244 434 S C 1.136 175.781 174.600 0.075 0.000 1.140 434 S CA -0.323 57.957 58.200 0.133 0.000 1.134 434 S CB -0.103 63.170 63.200 0.121 0.000 0.954 434 S HN 0.236 nan 8.310 nan 0.000 0.490 435 I N 2.730 123.355 120.570 0.092 0.000 2.335 435 I HA -0.168 4.002 4.170 0.000 0.000 0.251 435 I C 2.255 178.358 176.117 -0.022 0.000 1.129 435 I CA 1.642 62.993 61.300 0.085 0.000 1.402 435 I CB -0.191 37.906 38.000 0.163 0.000 1.069 435 I HN 0.451 nan 8.210 nan 0.000 0.424 436 S N 0.436 116.069 115.700 -0.111 0.000 2.515 436 S HA 0.035 4.505 4.470 0.000 0.000 0.231 436 S C 2.154 176.512 174.600 -0.404 0.000 0.987 436 S CA 0.509 58.388 58.200 -0.535 0.000 0.936 436 S CB -0.815 62.175 63.200 -0.351 0.000 0.766 436 S HN 0.472 nan 8.310 nan 0.000 0.528 437 A N 2.152 124.879 122.820 -0.155 0.000 2.024 437 A HA 0.091 4.411 4.320 0.000 0.000 0.220 437 A C 2.148 179.704 177.584 -0.045 0.000 1.164 437 A CA 1.186 53.194 52.037 -0.048 0.000 0.643 437 A CB -0.844 18.156 19.000 -0.001 0.000 0.806 437 A HN 0.574 nan 8.150 nan 0.000 0.451 438 L N -2.569 118.562 121.223 -0.153 0.000 2.081 438 L HA -0.256 4.084 4.340 0.000 0.000 0.212 438 L C 2.451 179.346 176.870 0.043 0.000 1.080 438 L CA 1.817 56.580 54.840 -0.128 0.000 0.754 438 L CB -0.458 41.549 42.059 -0.086 0.000 0.893 438 L HN 0.784 nan 8.230 nan 0.000 0.433 439 W N 0.717 121.879 121.300 -0.230 0.000 2.374 439 W HA -0.208 4.452 4.660 0.000 0.000 0.288 439 W C 2.467 178.994 176.519 0.013 0.000 1.218 439 W CA 1.991 59.288 57.345 -0.080 0.000 1.245 439 W CB -0.227 29.108 29.460 -0.208 0.000 1.126 439 W HN -0.025 nan 8.180 nan 0.000 0.545 440 T N 0.205 114.886 114.554 0.212 0.000 2.821 440 T HA -0.137 4.213 4.350 0.000 0.000 0.267 440 T C 1.969 176.752 174.700 0.139 0.000 1.046 440 T CA 1.702 63.918 62.100 0.194 0.000 1.139 440 T CB -0.773 68.267 68.868 0.287 0.000 0.871 440 T HN 0.223 nan 8.240 nan 0.000 0.454 441 A N 1.435 124.332 122.820 0.128 0.000 1.933 441 A HA 0.171 4.491 4.320 0.000 0.000 0.218 441 A C 2.612 180.224 177.584 0.046 0.000 1.175 441 A CA 1.770 53.895 52.037 0.147 0.000 0.628 441 A CB -1.022 18.143 19.000 0.276 0.000 0.814 441 A HN 0.498 nan 8.150 nan 0.000 0.444 442 A N -1.184 121.610 122.820 -0.043 0.000 1.873 442 A HA -0.157 4.163 4.320 0.000 0.000 0.215 442 A C 2.138 179.560 177.584 -0.270 0.000 1.186 442 A CA 1.582 53.546 52.037 -0.122 0.000 0.616 442 A CB -0.476 18.450 19.000 -0.123 0.000 0.823 442 A HN 0.469 nan 8.150 nan 0.000 0.442 443 Q N -1.329 118.150 119.800 -0.535 0.000 2.119 443 Q HA -0.137 4.203 4.340 0.000 0.000 0.201 443 Q C 1.284 176.898 176.000 -0.643 0.000 0.972 443 Q CA 1.500 56.837 55.803 -0.775 0.000 0.847 443 Q CB -0.314 27.599 28.738 -1.375 0.000 0.903 443 Q HN 0.878 nan 8.270 nan 0.000 0.433 444 Y N -0.204 119.974 120.300 -0.202 0.000 2.457 444 Y HA 0.115 4.665 4.550 0.000 0.000 0.263 444 Y C 0.455 176.312 175.900 -0.071 0.000 1.164 444 Y CA -0.253 57.780 58.100 -0.112 0.000 1.274 444 Y CB 0.089 38.501 38.460 -0.080 0.000 1.097 444 Y HN 0.128 nan 8.280 nan 0.000 0.523 445 N N 1.057 119.764 118.700 0.011 0.000 2.725 445 N HA -0.221 4.519 4.740 0.000 0.000 0.251 445 N C -1.098 174.441 175.510 0.050 0.000 1.031 445 N CA 0.291 53.352 53.050 0.018 0.000 0.720 445 N CB -1.341 37.144 38.487 -0.003 0.000 0.930 445 N HN 0.352 nan 8.380 nan 0.000 0.543 446 I N 1.076 121.691 120.570 0.076 0.000 2.301 446 I HA 0.219 4.390 4.170 0.000 0.000 0.292 446 I C -1.456 174.686 176.117 0.042 0.000 1.046 446 I CA -1.781 59.557 61.300 0.064 0.000 1.282 446 I CB 1.232 39.283 38.000 0.085 0.000 1.409 446 I HN 0.060 nan 8.210 nan 0.000 0.484 447 P HA 0.082 nan 4.420 nan 0.000 0.220 447 P C -0.157 177.095 177.300 -0.078 0.000 1.793 447 P CA -0.273 62.819 63.100 -0.014 0.000 0.917 447 P CB -0.396 31.295 31.700 -0.016 0.000 1.755 448 T N 1.497 115.969 114.554 -0.137 0.000 2.930 448 T HA 0.195 4.545 4.350 0.000 0.000 0.306 448 T C 0.783 175.197 174.700 -0.476 0.000 1.045 448 T CA 0.473 62.343 62.100 -0.382 0.000 1.134 448 T CB 0.571 69.069 68.868 -0.617 0.000 0.961 448 T HN 0.105 nan 8.240 nan 0.000 0.545 449 I N 3.042 123.335 120.570 -0.463 0.000 2.336 449 I HA 0.362 4.532 4.170 0.000 0.000 0.292 449 I C -0.723 175.134 176.117 -0.432 0.000 0.991 449 I CA -0.594 60.523 61.300 -0.304 0.000 1.227 449 I CB 0.862 38.779 38.000 -0.137 0.000 1.366 449 I HN 0.495 nan 8.210 nan 0.000 0.466 450 F N 5.778 125.736 119.950 0.012 0.000 2.411 450 F HA 0.433 4.960 4.527 0.000 0.000 0.352 450 F C -0.019 175.779 175.800 -0.004 0.000 1.123 450 F CA -0.842 57.164 58.000 0.010 0.000 1.044 450 F CB 1.470 40.483 39.000 0.022 0.000 1.135 450 F HN 0.003 nan 8.300 nan 0.000 0.461 451 V N 5.618 125.606 119.914 0.123 0.000 2.328 451 V HA 0.340 4.460 4.120 0.000 0.000 0.278 451 V C -0.093 176.001 176.094 0.000 0.000 1.021 451 V CA -0.618 61.707 62.300 0.042 0.000 0.838 451 V CB 1.081 32.908 31.823 0.006 0.000 0.999 451 V HN 0.421 nan 8.190 nan 0.000 0.447 452 I N 6.025 126.556 120.570 -0.065 0.000 2.315 452 I HA 0.369 4.539 4.170 0.000 0.000 0.291 452 I C 0.172 176.178 176.117 -0.184 0.000 1.006 452 I CA -0.535 60.646 61.300 -0.198 0.000 1.265 452 I CB 1.514 39.237 38.000 -0.462 0.000 1.387 452 I HN 0.447 nan 8.210 nan 0.000 0.475 453 M N 5.684 125.197 119.600 -0.145 0.000 2.201 453 M HA 0.157 4.637 4.480 0.000 0.000 0.345 453 M C 0.122 176.367 176.300 -0.091 0.000 1.352 453 M CA -0.146 55.093 55.300 -0.102 0.000 1.218 453 M CB -0.493 32.069 32.600 -0.063 0.000 1.512 453 M HN 0.352 nan 8.290 nan 0.000 0.447 454 N N 3.822 122.477 118.700 -0.076 0.000 2.558 454 N HA 0.127 4.867 4.740 0.000 0.000 0.233 454 N C 0.130 175.649 175.510 0.015 0.000 1.038 454 N CA -0.091 52.949 53.050 -0.017 0.000 0.934 454 N CB 0.356 38.866 38.487 0.040 0.000 1.175 454 N HN 0.475 nan 8.380 nan 0.000 0.512 455 N N 2.317 121.034 118.700 0.028 0.000 2.187 455 N HA 0.174 4.914 4.740 0.000 0.000 0.212 455 N C 0.988 176.521 175.510 0.038 0.000 1.152 455 N CA 0.243 53.310 53.050 0.029 0.000 0.872 455 N CB 0.144 38.650 38.487 0.031 0.000 1.025 455 N HN 0.461 nan 8.380 nan 0.000 0.514 456 G N -1.445 107.385 108.800 0.049 0.000 2.179 456 G HA2 -0.247 3.713 3.960 0.000 0.000 0.260 456 G HA3 -0.247 3.713 3.960 0.000 0.000 0.260 456 G C 0.040 174.934 174.900 -0.010 0.000 0.977 456 G CA 0.696 45.813 45.100 0.028 0.000 0.641 456 G HN 0.790 nan 8.290 nan 0.000 0.533 457 T N -1.532 113.024 114.554 0.004 0.000 2.843 457 T HA 0.542 4.892 4.350 0.000 0.000 0.302 457 T C -1.319 173.422 174.700 0.069 0.000 1.232 457 T CA -0.543 61.550 62.100 -0.012 0.000 1.009 457 T CB 0.917 69.814 68.868 0.050 0.000 1.254 457 T HN 0.301 nan 8.240 nan 0.000 0.504 458 Y N 2.445 122.819 120.300 0.123 0.000 2.568 458 Y HA 0.325 4.875 4.550 0.000 0.000 0.338 458 Y C 1.622 177.603 175.900 0.136 0.000 1.245 458 Y CA -0.552 57.635 58.100 0.145 0.000 1.667 458 Y CB -0.109 38.448 38.460 0.163 0.000 1.568 458 Y HN 0.827 nan 8.280 nan 0.000 0.471 459 G N 1.380 110.335 108.800 0.259 0.000 2.418 459 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 459 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 459 G C 1.786 176.785 174.900 0.166 0.000 1.158 459 G CA 0.889 46.097 45.100 0.180 0.000 0.771 459 G HN 0.634 nan 8.290 nan 0.000 0.545 460 A N 0.412 123.317 122.820 0.142 0.000 1.969 460 A HA 0.148 4.468 4.320 0.000 0.000 0.218 460 A C 2.400 180.035 177.584 0.086 0.000 1.169 460 A CA 1.105 53.152 52.037 0.018 0.000 0.635 460 A CB -0.288 18.741 19.000 0.047 0.000 0.810 460 A HN 0.368 nan 8.150 nan 0.000 0.445 461 L N -1.336 120.040 121.223 0.255 0.000 2.109 461 L HA -0.108 4.232 4.340 0.000 0.000 0.207 461 L C 2.754 179.782 176.870 0.264 0.000 1.086 461 L CA 0.960 56.000 54.840 0.333 0.000 0.760 461 L CB -0.493 41.739 42.059 0.289 0.000 0.910 461 L HN 0.336 nan 8.230 nan 0.000 0.437 462 R N -0.803 119.829 120.500 0.220 0.000 2.105 462 R HA -0.234 4.106 4.340 0.000 0.000 0.239 462 R C 2.087 178.473 176.300 0.143 0.000 1.135 462 R CA 1.987 58.187 56.100 0.167 0.000 0.967 462 R CB -0.431 29.960 30.300 0.152 0.000 0.861 462 R HN 0.395 nan 8.270 nan 0.000 0.442 463 W N 0.627 121.903 121.300 -0.040 0.000 2.378 463 W HA -0.156 4.504 4.660 0.000 0.000 0.313 463 W C 1.600 178.091 176.519 -0.047 0.000 1.197 463 W CA 1.316 58.594 57.345 -0.112 0.000 1.304 463 W CB -0.342 28.951 29.460 -0.277 0.000 1.148 463 W HN -0.081 nan 8.180 nan 0.000 0.494 464 F N 0.633 120.758 119.950 0.292 0.000 2.171 464 F HA -0.114 4.413 4.527 0.000 0.000 0.300 464 F C 2.496 178.274 175.800 -0.037 0.000 1.090 464 F CA 1.561 59.635 58.000 0.124 0.000 1.293 464 F CB -1.640 37.519 39.000 0.265 0.000 1.013 464 F HN -0.018 nan 8.300 nan 0.000 0.486 465 A N 0.285 123.209 122.820 0.172 0.000 1.933 465 A HA -0.048 4.272 4.320 0.000 0.000 0.218 465 A C 2.631 180.200 177.584 -0.025 0.000 1.175 465 A CA 1.731 53.815 52.037 0.078 0.000 0.628 465 A CB -1.552 17.503 19.000 0.092 0.000 0.814 465 A HN 0.393 nan 8.150 nan 0.000 0.444 466 G N -0.002 108.733 108.800 -0.108 0.000 2.440 466 G HA2 -0.183 3.777 3.960 0.000 0.000 0.218 466 G HA3 -0.183 3.777 3.960 0.000 0.000 0.218 466 G C 1.672 176.425 174.900 -0.245 0.000 1.154 466 G CA 2.078 47.064 45.100 -0.190 0.000 0.767 466 G HN 1.061 nan 8.290 nan 0.000 0.552 467 V N -0.604 119.084 119.914 -0.378 0.000 2.407 467 V HA -0.019 4.101 4.120 0.000 0.000 0.248 467 V C 2.611 178.633 176.094 -0.120 0.000 1.055 467 V CA 1.719 63.835 62.300 -0.307 0.000 1.049 467 V CB -0.508 31.084 31.823 -0.384 0.000 0.662 467 V HN 0.297 nan 8.190 nan 0.000 0.455 468 L N -0.029 121.154 121.223 -0.066 0.000 2.478 468 L HA 0.164 4.504 4.340 0.000 0.000 0.223 468 L C 1.698 178.547 176.870 -0.035 0.000 1.140 468 L CA 1.310 56.131 54.840 -0.032 0.000 0.842 468 L CB -0.621 41.436 42.059 -0.003 0.000 0.953 468 L HN 0.624 nan 8.230 nan 0.000 0.452 469 E N 0.081 120.253 120.200 -0.048 0.000 2.513 469 E HA -0.231 4.119 4.350 0.000 0.000 0.257 469 E C 0.071 176.661 176.600 -0.017 0.000 1.098 469 E CA 0.166 56.545 56.400 -0.035 0.000 0.752 469 E CB -0.603 29.079 29.700 -0.031 0.000 1.324 469 E HN 0.463 nan 8.360 nan 0.000 0.403 470 A N 1.608 124.424 122.820 -0.007 0.000 2.302 470 A HA 0.428 4.748 4.320 0.000 0.000 0.295 470 A C 0.070 177.663 177.584 0.016 0.000 1.235 470 A CA -0.201 51.841 52.037 0.008 0.000 0.876 470 A CB 0.546 19.559 19.000 0.022 0.000 1.133 470 A HN 0.345 nan 8.150 nan 0.000 0.533 471 E N 1.605 121.813 120.200 0.014 0.000 2.232 471 E HA 0.301 4.651 4.350 0.000 0.000 0.265 471 E C -0.334 176.280 176.600 0.024 0.000 1.001 471 E CA -1.044 55.367 56.400 0.018 0.000 0.870 471 E CB 0.616 30.323 29.700 0.012 0.000 1.175 471 E HN 0.681 nan 8.360 nan 0.000 0.407 472 N N -0.114 118.602 118.700 0.027 0.000 2.727 472 N HA -0.155 4.585 4.740 0.000 0.000 0.249 472 N C -1.165 174.368 175.510 0.037 0.000 1.048 472 N CA 0.396 53.464 53.050 0.029 0.000 0.714 472 N CB -1.164 37.337 38.487 0.022 0.000 0.959 472 N HN 0.116 nan 8.380 nan 0.000 0.544 473 V N 1.790 121.733 119.914 0.048 0.000 2.461 473 V HA 0.330 4.450 4.120 0.000 0.000 0.275 473 V C -0.950 175.186 176.094 0.069 0.000 1.047 473 V CA -0.920 61.417 62.300 0.061 0.000 0.955 473 V CB 1.315 33.184 31.823 0.077 0.000 0.988 473 V HN 0.149 nan 8.190 nan 0.000 0.471 474 P HA 0.428 nan 4.420 nan 0.000 0.278 474 P C 0.608 177.969 177.300 0.101 0.000 1.266 474 P CA 0.246 63.389 63.100 0.071 0.000 0.807 474 P CB 1.099 32.834 31.700 0.059 0.000 1.094 475 G N -0.227 108.633 108.800 0.100 0.000 2.143 475 G HA2 -0.222 3.738 3.960 0.000 0.000 0.248 475 G HA3 -0.222 3.738 3.960 0.000 0.000 0.248 475 G C 0.507 175.535 174.900 0.214 0.000 0.991 475 G CA 0.305 45.489 45.100 0.141 0.000 0.689 475 G HN 0.474 nan 8.290 nan 0.000 0.522 476 L N -0.475 120.850 121.223 0.169 0.000 2.585 476 L HA 0.283 4.623 4.340 0.000 0.000 0.226 476 L C 0.227 177.125 176.870 0.047 0.000 1.113 476 L CA 0.078 55.056 54.840 0.229 0.000 0.876 476 L CB 0.041 42.220 42.059 0.200 0.000 1.072 476 L HN 0.079 nan 8.230 nan 0.000 0.468 477 D N 0.489 120.866 120.400 -0.038 0.000 2.185 477 D HA 0.319 4.959 4.640 0.000 0.000 0.247 477 D C 0.094 176.275 176.300 -0.198 0.000 1.027 477 D CA -0.062 53.876 54.000 -0.105 0.000 0.861 477 D CB 2.913 43.693 40.800 -0.034 0.000 1.202 477 D HN -0.189 nan 8.370 nan 0.000 0.453 478 V N -0.566 119.214 119.914 -0.223 0.000 2.572 478 V HA 0.358 4.478 4.120 0.000 0.000 0.274 478 V C -2.471 173.572 176.094 -0.085 0.000 1.075 478 V CA -1.380 60.800 62.300 -0.200 0.000 1.237 478 V CB 0.335 31.972 31.823 -0.310 0.000 1.517 478 V HN 0.311 nan 8.190 nan 0.000 0.616 479 P HA 0.412 nan 4.420 nan 0.000 0.274 479 P C 0.837 178.109 177.300 -0.047 0.000 1.246 479 P CA 1.167 64.247 63.100 -0.034 0.000 0.795 479 P CB 1.299 32.983 31.700 -0.027 0.000 1.006 480 G N 0.382 109.156 108.800 -0.044 0.000 2.165 480 G HA2 -0.168 3.792 3.960 0.000 0.000 0.226 480 G HA3 -0.168 3.792 3.960 0.000 0.000 0.226 480 G C -0.201 174.628 174.900 -0.118 0.000 1.035 480 G CA -0.243 44.818 45.100 -0.066 0.000 0.744 480 G HN 0.487 nan 8.290 nan 0.000 0.501 481 I N 0.635 121.105 120.570 -0.166 0.000 2.389 481 I HA 0.324 4.494 4.170 0.000 0.000 0.288 481 I C -0.744 175.114 176.117 -0.432 0.000 0.999 481 I CA -0.848 60.226 61.300 -0.377 0.000 1.129 481 I CB 1.839 39.490 38.000 -0.582 0.000 1.288 481 I HN 0.038 nan 8.210 nan 0.000 0.444 482 D N 6.251 126.427 120.400 -0.373 0.000 2.467 482 D HA 0.217 4.857 4.640 0.000 0.000 0.220 482 D C 0.481 176.626 176.300 -0.258 0.000 1.103 482 D CA -0.302 53.565 54.000 -0.222 0.000 0.886 482 D CB 0.577 41.306 40.800 -0.119 0.000 1.025 482 D HN 0.290 nan 8.370 nan 0.000 0.514 483 F N 2.096 122.049 119.950 0.005 0.000 2.407 483 F HA 0.054 4.581 4.527 0.000 0.000 0.299 483 F C 2.308 178.115 175.800 0.012 0.000 1.097 483 F CA 0.429 58.436 58.000 0.012 0.000 1.422 483 F CB 0.009 39.023 39.000 0.023 0.000 1.067 483 F HN 0.248 nan 8.300 nan 0.000 0.539 484 R N 0.250 120.836 120.500 0.144 0.000 2.081 484 R HA -0.114 4.226 4.340 0.000 0.000 0.235 484 R C 2.487 178.810 176.300 0.039 0.000 1.131 484 R CA 1.325 57.477 56.100 0.087 0.000 0.960 484 R CB -0.779 29.559 30.300 0.063 0.000 0.856 484 R HN 0.262 nan 8.270 nan 0.000 0.436 485 A N 1.031 123.849 122.820 -0.003 0.000 1.898 485 A HA -0.092 4.228 4.320 0.000 0.000 0.216 485 A C 2.158 179.710 177.584 -0.053 0.000 1.181 485 A CA 1.059 53.074 52.037 -0.038 0.000 0.620 485 A CB -0.502 18.459 19.000 -0.065 0.000 0.819 485 A HN 0.165 nan 8.150 nan 0.000 0.442 486 L N -0.715 120.477 121.223 -0.052 0.000 2.046 486 L HA -0.218 4.122 4.340 0.000 0.000 0.208 486 L C 3.125 180.011 176.870 0.026 0.000 1.077 486 L CA 1.139 55.956 54.840 -0.039 0.000 0.747 486 L CB -0.663 41.401 42.059 0.007 0.000 0.896 486 L HN 0.440 nan 8.230 nan 0.000 0.432 487 A N 0.218 123.084 122.820 0.077 0.000 1.883 487 A HA -0.283 4.037 4.320 0.000 0.000 0.217 487 A C 2.405 180.033 177.584 0.073 0.000 1.186 487 A CA 2.156 54.250 52.037 0.095 0.000 0.624 487 A CB -0.525 18.531 19.000 0.094 0.000 0.822 487 A HN 0.354 nan 8.150 nan 0.000 0.444 488 K N -0.675 119.744 120.400 0.032 0.000 2.032 488 K HA -0.143 4.177 4.320 0.000 0.000 0.209 488 K C 2.052 178.643 176.600 -0.016 0.000 1.048 488 K CA 1.566 57.861 56.287 0.013 0.000 0.927 488 K CB -0.651 31.846 32.500 -0.005 0.000 0.712 488 K HN 0.386 nan 8.250 nan 0.000 0.441 489 G N -0.201 108.542 108.800 -0.096 0.000 2.469 489 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 489 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 489 G C 0.802 175.554 174.900 -0.245 0.000 1.150 489 G CA 1.066 46.019 45.100 -0.245 0.000 0.763 489 G HN 0.378 nan 8.290 nan 0.000 0.561 490 Y N 0.131 120.493 120.300 0.104 0.000 2.485 490 Y HA 0.406 4.956 4.550 0.000 0.000 0.260 490 Y C 1.911 177.908 175.900 0.161 0.000 1.173 490 Y CA -0.601 57.622 58.100 0.205 0.000 1.252 490 Y CB 0.337 38.917 38.460 0.199 0.000 1.123 490 Y HN 0.314 nan 8.280 nan 0.000 0.524 491 G N -0.062 108.853 108.800 0.192 0.000 2.141 491 G HA2 -0.229 3.731 3.960 0.000 0.000 0.231 491 G HA3 -0.229 3.731 3.960 0.000 0.000 0.231 491 G C -0.339 174.608 174.900 0.078 0.000 0.984 491 G CA 0.121 45.285 45.100 0.107 0.000 0.660 491 G HN 0.096 nan 8.290 nan 0.000 0.525 492 V N 1.352 121.326 119.914 0.101 0.000 2.427 492 V HA 0.451 4.571 4.120 0.000 0.000 0.286 492 V C 0.940 177.084 176.094 0.084 0.000 1.034 492 V CA -0.466 61.892 62.300 0.096 0.000 0.893 492 V CB 1.766 33.656 31.823 0.111 0.000 0.982 492 V HN 0.530 nan 8.190 nan 0.000 0.452 493 Q N 2.862 122.708 119.800 0.077 0.000 2.304 493 Q HA 0.384 4.724 4.340 0.000 0.000 0.301 493 Q C -0.251 175.797 176.000 0.080 0.000 1.063 493 Q CA 0.196 56.038 55.803 0.066 0.000 0.947 493 Q CB 0.702 29.474 28.738 0.056 0.000 1.201 493 Q HN 0.942 nan 8.270 nan 0.000 0.389 494 A N 4.941 127.801 122.820 0.067 0.000 2.414 494 A HA 0.744 5.064 4.320 0.000 0.000 0.306 494 A C -1.440 176.180 177.584 0.060 0.000 1.054 494 A CA -0.724 51.358 52.037 0.075 0.000 0.724 494 A CB 1.179 20.224 19.000 0.076 0.000 1.267 494 A HN 0.736 nan 8.150 nan 0.000 0.418 495 L N 0.762 122.022 121.223 0.063 0.000 2.350 495 L HA 0.677 5.017 4.340 0.000 0.000 0.260 495 L C -0.222 176.678 176.870 0.049 0.000 1.015 495 L CA -0.780 54.089 54.840 0.047 0.000 0.821 495 L CB 2.545 44.629 42.059 0.041 0.000 1.370 495 L HN 0.780 nan 8.230 nan 0.000 0.416 496 K N 0.869 121.292 120.400 0.038 0.000 2.371 496 K HA 0.824 5.144 4.320 0.000 0.000 0.251 496 K C -1.468 175.145 176.600 0.021 0.000 0.934 496 K CA -0.518 55.790 56.287 0.036 0.000 0.798 496 K CB 2.203 34.726 32.500 0.039 0.000 1.204 496 K HN 0.682 nan 8.250 nan 0.000 0.427 497 A N 3.333 126.161 122.820 0.013 0.000 2.340 497 A HA 0.316 4.636 4.320 0.000 0.000 0.297 497 A C -0.723 176.858 177.584 -0.004 0.000 1.195 497 A CA -0.591 51.447 52.037 0.002 0.000 0.769 497 A CB 0.724 19.719 19.000 -0.008 0.000 1.163 497 A HN 0.843 nan 8.150 nan 0.000 0.472 498 D N 0.983 121.382 120.400 -0.002 0.000 2.360 498 D HA 0.082 4.723 4.640 0.000 0.000 0.210 498 D C 0.106 176.397 176.300 -0.014 0.000 1.047 498 D CA 0.889 54.885 54.000 -0.006 0.000 0.854 498 D CB 0.437 41.236 40.800 -0.001 0.000 0.936 498 D HN 0.788 nan 8.370 nan 0.000 0.514 499 N N -1.252 117.440 118.700 -0.012 0.000 3.039 499 N HA 0.069 4.809 4.740 0.000 0.000 0.257 499 N C 0.176 175.680 175.510 -0.010 0.000 1.497 499 N CA -0.718 52.325 53.050 -0.013 0.000 0.861 499 N CB 0.923 39.406 38.487 -0.006 0.000 1.479 499 N HN -0.220 nan 8.380 nan 0.000 0.547 500 L N 0.053 121.273 121.223 -0.005 0.000 2.093 500 L HA 0.119 4.459 4.340 0.000 0.000 0.208 500 L C 2.049 178.919 176.870 -0.000 0.000 1.085 500 L CA 1.905 56.744 54.840 -0.002 0.000 0.755 500 L CB -0.872 41.191 42.059 0.007 0.000 0.904 500 L HN 0.895 nan 8.230 nan 0.000 0.435 501 E N -0.878 119.323 120.200 0.002 0.000 2.085 501 E HA -0.299 4.051 4.350 0.000 0.000 0.194 501 E C 2.059 178.660 176.600 0.002 0.000 0.994 501 E CA 1.722 58.124 56.400 0.003 0.000 0.801 501 E CB -0.132 29.570 29.700 0.004 0.000 0.743 501 E HN 0.699 nan 8.360 nan 0.000 0.453 502 Q N -0.043 119.758 119.800 0.001 0.000 2.172 502 Q HA -0.119 4.221 4.340 0.000 0.000 0.200 502 Q C 2.294 178.294 176.000 0.000 0.000 0.964 502 Q CA 0.797 56.601 55.803 0.002 0.000 0.855 502 Q CB -0.037 28.703 28.738 0.002 0.000 0.918 502 Q HN 0.277 nan 8.270 nan 0.000 0.444 503 L N 1.332 122.551 121.223 -0.005 0.000 2.017 503 L HA -0.198 4.142 4.340 0.000 0.000 0.208 503 L C 1.852 178.719 176.870 -0.004 0.000 1.073 503 L CA 1.886 56.720 54.840 -0.010 0.000 0.745 503 L CB -0.196 41.850 42.059 -0.022 0.000 0.894 503 L HN -0.035 nan 8.230 nan 0.000 0.432 504 K N -0.647 119.753 120.400 -0.001 0.000 2.057 504 K HA -0.102 4.218 4.320 0.000 0.000 0.207 504 K C 2.008 178.611 176.600 0.005 0.000 1.049 504 K CA 1.271 57.560 56.287 0.003 0.000 0.931 504 K CB -0.755 31.747 32.500 0.004 0.000 0.714 504 K HN 0.564 nan 8.250 nan 0.000 0.440 505 G N 0.539 109.342 108.800 0.005 0.000 2.418 505 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 505 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 505 G C 1.541 176.446 174.900 0.008 0.000 1.158 505 G CA 0.852 45.956 45.100 0.006 0.000 0.771 505 G HN 0.180 nan 8.290 nan 0.000 0.545 506 S N 0.340 116.045 115.700 0.008 0.000 2.368 506 S HA 0.031 4.501 4.470 0.000 0.000 0.224 506 S C 2.292 176.899 174.600 0.011 0.000 1.029 506 S CA 0.641 58.848 58.200 0.012 0.000 0.988 506 S CB -0.203 63.005 63.200 0.013 0.000 0.838 506 S HN 0.295 nan 8.310 nan 0.000 0.462 507 L N 1.342 122.570 121.223 0.008 0.000 2.093 507 L HA -0.140 4.200 4.340 0.000 0.000 0.208 507 L C 2.796 179.670 176.870 0.007 0.000 1.085 507 L CA 1.228 56.073 54.840 0.008 0.000 0.755 507 L CB -0.448 41.616 42.059 0.008 0.000 0.904 507 L HN 0.389 nan 8.230 nan 0.000 0.435 508 Q N 0.338 120.142 119.800 0.007 0.000 2.084 508 Q HA -0.281 4.059 4.340 0.000 0.000 0.202 508 Q C 2.104 178.107 176.000 0.005 0.000 0.978 508 Q CA 1.921 57.728 55.803 0.005 0.000 0.844 508 Q CB 0.028 28.769 28.738 0.005 0.000 0.898 508 Q HN 0.511 nan 8.270 nan 0.000 0.426 509 E N -0.368 119.837 120.200 0.008 0.000 2.051 509 E HA -0.198 4.152 4.350 0.000 0.000 0.192 509 E C 1.818 178.424 176.600 0.010 0.000 0.991 509 E CA 1.108 57.514 56.400 0.009 0.000 0.799 509 E CB -0.179 29.528 29.700 0.013 0.000 0.748 509 E HN 0.465 nan 8.360 nan 0.000 0.449 510 A N 0.867 123.693 122.820 0.011 0.000 1.902 510 A HA -0.126 4.194 4.320 0.000 0.000 0.217 510 A C 2.175 179.758 177.584 -0.002 0.000 1.181 510 A CA 1.072 53.115 52.037 0.010 0.000 0.623 510 A CB -0.645 18.362 19.000 0.013 0.000 0.818 510 A HN 0.330 nan 8.150 nan 0.000 0.443 511 L N -0.300 120.920 121.223 -0.005 0.000 2.265 511 L HA -0.099 4.241 4.340 0.000 0.000 0.215 511 L C 2.153 179.017 176.870 -0.011 0.000 1.117 511 L CA 1.145 55.977 54.840 -0.013 0.000 0.782 511 L CB -0.091 41.962 42.059 -0.011 0.000 0.914 511 L HN 0.282 nan 8.230 nan 0.000 0.441 512 S N -0.794 114.904 115.700 -0.005 0.000 2.535 512 S HA 0.269 4.739 4.470 0.000 0.000 0.214 512 S C 0.910 175.509 174.600 -0.002 0.000 0.980 512 S CA 0.030 58.228 58.200 -0.003 0.000 0.907 512 S CB 0.140 63.340 63.200 -0.000 0.000 0.790 512 S HN 0.349 nan 8.310 nan 0.000 0.510 513 A N 1.574 124.394 122.820 0.000 0.000 2.313 513 A HA 0.448 4.768 4.320 0.000 0.000 0.261 513 A C 0.922 178.507 177.584 0.001 0.000 1.090 513 A CA -0.220 51.819 52.037 0.005 0.000 0.807 513 A CB 0.401 19.408 19.000 0.012 0.000 1.055 513 A HN 0.058 nan 8.150 nan 0.000 0.492 514 K N 0.181 120.583 120.400 0.004 0.000 2.358 514 K HA 0.211 4.531 4.320 0.000 0.000 0.197 514 K C 0.659 177.262 176.600 0.005 0.000 1.025 514 K CA 0.821 57.109 56.287 0.002 0.000 1.104 514 K CB 0.560 33.060 32.500 0.001 0.000 0.855 514 K HN 0.776 nan 8.250 nan 0.000 0.531 515 G N 1.740 110.547 108.800 0.012 0.000 2.949 515 G HA2 0.430 4.390 3.960 0.000 0.000 0.285 515 G HA3 0.430 4.390 3.960 0.000 0.000 0.285 515 G C -3.019 171.904 174.900 0.038 0.000 1.395 515 G CA -1.195 43.919 45.100 0.022 0.000 0.901 515 G HN -0.242 nan 8.290 nan 0.000 0.519 516 P HA 0.370 nan 4.420 nan 0.000 0.271 516 P C -0.731 176.657 177.300 0.146 0.000 1.218 516 P CA -0.098 63.078 63.100 0.127 0.000 0.780 516 P CB 1.605 33.452 31.700 0.244 0.000 0.901 517 V N 3.553 123.568 119.914 0.169 0.000 2.760 517 V HA 0.405 4.525 4.120 0.000 0.000 0.309 517 V C -0.010 176.243 176.094 0.264 0.000 1.077 517 V CA -0.813 61.585 62.300 0.162 0.000 0.910 517 V CB 2.141 34.014 31.823 0.084 0.000 1.008 517 V HN 0.460 nan 8.190 nan 0.000 0.424 518 L N 5.306 126.664 121.223 0.224 0.000 2.322 518 L HA 0.709 5.049 4.340 0.000 0.000 0.281 518 L C -1.087 175.864 176.870 0.135 0.000 1.014 518 L CA -0.308 54.668 54.840 0.227 0.000 0.815 518 L CB 1.290 43.450 42.059 0.168 0.000 1.247 518 L HN 0.604 nan 8.230 nan 0.000 0.421 519 I N 4.583 125.219 120.570 0.109 0.000 2.382 519 I HA 0.318 4.488 4.170 0.000 0.000 0.286 519 I C -0.276 175.864 176.117 0.038 0.000 1.002 519 I CA -0.446 60.892 61.300 0.062 0.000 1.135 519 I CB 1.763 39.786 38.000 0.038 0.000 1.288 519 I HN 0.620 nan 8.210 nan 0.000 0.448 520 E N 6.493 126.721 120.200 0.046 0.000 2.152 520 E HA 0.364 4.714 4.350 0.000 0.000 0.285 520 E C -1.321 175.282 176.600 0.006 0.000 1.043 520 E CA -0.490 55.926 56.400 0.027 0.000 0.839 520 E CB 1.204 30.975 29.700 0.119 0.000 1.069 520 E HN 0.366 nan 8.360 nan 0.000 0.399 521 V N 3.952 123.846 119.914 -0.033 0.000 2.398 521 V HA 0.162 4.282 4.120 0.000 0.000 0.286 521 V C -0.075 175.999 176.094 -0.034 0.000 1.026 521 V CA -0.760 61.517 62.300 -0.038 0.000 0.868 521 V CB 1.725 33.506 31.823 -0.070 0.000 0.982 521 V HN 0.639 nan 8.190 nan 0.000 0.443 522 S N 3.857 119.544 115.700 -0.022 0.000 2.405 522 S HA 0.360 4.830 4.470 0.000 0.000 0.291 522 S C 0.513 175.086 174.600 -0.045 0.000 1.137 522 S CA -0.481 57.709 58.200 -0.018 0.000 1.061 522 S CB 0.279 63.473 63.200 -0.010 0.000 1.001 522 S HN 0.971 nan 8.310 nan 0.000 0.507 523 T N -0.698 113.827 114.554 -0.047 0.000 2.952 523 T HA 0.627 4.977 4.350 0.000 0.000 0.286 523 T C 0.381 175.039 174.700 -0.070 0.000 1.024 523 T CA -1.046 61.012 62.100 -0.070 0.000 1.029 523 T CB 0.879 69.710 68.868 -0.062 0.000 1.094 523 T HN 0.409 nan 8.240 nan 0.000 0.515 524 V N 0.204 120.048 119.914 -0.116 0.000 2.655 524 V HA 0.415 4.535 4.120 0.000 0.000 0.300 524 V C 0.677 176.752 176.094 -0.031 0.000 1.044 524 V CA -0.725 61.505 62.300 -0.116 0.000 1.095 524 V CB 0.462 32.139 31.823 -0.242 0.000 0.952 524 V HN 1.064 nan 8.190 nan 0.000 0.485 525 S N 6.101 121.795 115.700 -0.010 0.000 2.549 525 S HA 0.468 4.938 4.470 0.000 0.000 0.279 525 S C -1.086 173.541 174.600 0.044 0.000 1.321 525 S CA -0.847 57.367 58.200 0.022 0.000 1.054 525 S CB 0.135 63.348 63.200 0.022 0.000 0.899 525 S HN 1.036 nan 8.310 nan 0.000 0.497 526 P HA 0.000 nan 4.420 nan 0.000 0.216 526 P CA 0.000 63.152 63.100 0.086 0.000 0.800 526 P CB 0.000 31.765 31.700 0.108 0.000 0.726