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 1po7_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNALPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.655 177.584 0.119 0.000 1.274 2 A CA 0.000 52.100 52.037 0.106 0.000 0.836 2 A CB 0.000 19.084 19.000 0.140 0.000 0.831 3 S N 0.246 116.030 115.700 0.140 0.000 2.669 3 S HA 0.504 4.974 4.470 0.000 0.000 0.270 3 S C 1.161 175.895 174.600 0.225 0.000 1.225 3 S CA 0.047 58.347 58.200 0.167 0.000 0.991 3 S CB 1.069 64.373 63.200 0.174 0.000 0.987 3 S HN 1.444 nan 8.310 nan 0.000 0.552 4 V N 1.576 121.628 119.914 0.231 0.000 2.392 4 V HA -0.202 3.918 4.120 0.000 0.000 0.249 4 V C 2.591 178.959 176.094 0.456 0.000 1.059 4 V CA 2.304 64.761 62.300 0.261 0.000 1.051 4 V CB -1.426 30.475 31.823 0.128 0.000 0.658 4 V HN 1.041 nan 8.190 nan 0.000 0.455 5 H N 0.855 120.200 119.070 0.458 0.000 2.290 5 H HA -0.158 4.398 4.556 0.000 0.000 0.298 5 H C 2.309 177.839 175.328 0.337 0.000 1.087 5 H CA 2.271 58.607 56.048 0.480 0.000 1.291 5 H CB -0.498 29.458 29.762 0.323 0.000 1.369 5 H HN 0.414 nan 8.280 nan 0.000 0.492 6 G N -0.708 108.355 108.800 0.439 0.000 2.408 6 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 6 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 6 G C 1.803 176.833 174.900 0.218 0.000 1.150 6 G CA 1.196 46.464 45.100 0.280 0.000 0.776 6 G HN 0.454 nan 8.290 nan 0.000 0.542 7 T N 0.845 115.558 114.554 0.265 0.000 2.821 7 T HA -0.083 4.267 4.350 0.000 0.000 0.267 7 T C 2.644 177.527 174.700 0.305 0.000 1.046 7 T CA 1.696 63.992 62.100 0.327 0.000 1.139 7 T CB -0.365 68.692 68.868 0.316 0.000 0.871 7 T HN 0.278 nan 8.240 nan 0.000 0.454 8 T N 0.897 115.600 114.554 0.249 0.000 2.777 8 T HA -0.048 4.302 4.350 0.000 0.000 0.266 8 T C 1.618 176.308 174.700 -0.015 0.000 1.040 8 T CA 1.036 63.239 62.100 0.172 0.000 1.141 8 T CB -0.448 68.599 68.868 0.299 0.000 0.868 8 T HN 0.400 nan 8.240 nan 0.000 0.444 9 Y N 1.308 121.539 120.300 -0.114 0.000 2.293 9 Y HA -0.051 4.500 4.550 0.000 0.000 0.291 9 Y C 2.598 178.397 175.900 -0.168 0.000 1.137 9 Y CA 1.049 58.956 58.100 -0.322 0.000 1.202 9 Y CB -0.264 37.814 38.460 -0.638 0.000 0.990 9 Y HN 0.176 nan 8.280 nan 0.000 0.537 10 E N 0.470 120.658 120.200 -0.020 0.000 2.077 10 E HA -0.203 4.147 4.350 0.000 0.000 0.193 10 E C 2.061 178.482 176.600 -0.298 0.000 0.989 10 E CA 1.087 57.338 56.400 -0.248 0.000 0.800 10 E CB -0.560 28.847 29.700 -0.489 0.000 0.746 10 E HN 0.345 nan 8.360 nan 0.000 0.452 11 L N 0.219 121.404 121.223 -0.062 0.000 2.012 11 L HA -0.139 4.201 4.340 0.000 0.000 0.210 11 L C 2.154 179.069 176.870 0.075 0.000 1.073 11 L CA 1.743 56.675 54.840 0.153 0.000 0.748 11 L CB -0.621 41.629 42.059 0.318 0.000 0.891 11 L HN 0.282 nan 8.230 nan 0.000 0.431 12 L N -0.529 120.731 121.223 0.060 0.000 2.012 12 L HA -0.247 4.093 4.340 0.000 0.000 0.210 12 L C 2.866 179.791 176.870 0.093 0.000 1.073 12 L CA 1.921 56.805 54.840 0.072 0.000 0.748 12 L CB -0.716 41.372 42.059 0.049 0.000 0.891 12 L HN 0.373 nan 8.230 nan 0.000 0.431 13 R N 0.188 120.784 120.500 0.160 0.000 2.091 13 R HA -0.160 4.180 4.340 0.000 0.000 0.238 13 R C 2.421 178.708 176.300 -0.022 0.000 1.136 13 R CA 1.311 57.438 56.100 0.045 0.000 0.959 13 R CB -0.104 30.269 30.300 0.123 0.000 0.856 13 R HN 0.248 nan 8.270 nan 0.000 0.437 14 R N 0.153 120.631 120.500 -0.038 0.000 2.148 14 R HA -0.047 4.293 4.340 0.000 0.000 0.227 14 R C 1.612 177.926 176.300 0.023 0.000 1.103 14 R CA 0.825 56.911 56.100 -0.024 0.000 0.983 14 R CB -0.049 30.224 30.300 -0.045 0.000 0.874 14 R HN 0.409 nan 8.270 nan 0.000 0.451 15 Q N -0.489 119.329 119.800 0.030 0.000 2.280 15 Q HA 0.130 4.470 4.340 0.000 0.000 0.202 15 Q C 0.660 176.677 176.000 0.028 0.000 0.903 15 Q CA 0.456 56.281 55.803 0.036 0.000 0.948 15 Q CB 0.993 29.743 28.738 0.019 0.000 1.058 15 Q HN 0.538 nan 8.270 nan 0.000 0.493 16 G N 1.290 110.092 108.800 0.004 0.000 2.141 16 G HA2 -0.258 3.702 3.960 0.000 0.000 0.242 16 G HA3 -0.258 3.702 3.960 0.000 0.000 0.242 16 G C 0.148 175.027 174.900 -0.035 0.000 0.982 16 G CA -0.149 44.944 45.100 -0.010 0.000 0.662 16 G HN 0.339 nan 8.290 nan 0.000 0.527 17 I N 1.477 122.013 120.570 -0.057 0.000 2.365 17 I HA 0.457 4.627 4.170 0.000 0.000 0.291 17 I C 0.619 176.490 176.117 -0.410 0.000 1.004 17 I CA 0.008 61.255 61.300 -0.088 0.000 1.311 17 I CB 1.414 39.423 38.000 0.016 0.000 1.401 17 I HN 0.239 nan 8.210 nan 0.000 0.491 18 D N 1.553 121.673 120.400 -0.465 0.000 2.538 18 D HA 0.099 4.739 4.640 0.000 0.000 0.241 18 D C -0.142 175.825 176.300 -0.556 0.000 1.297 18 D CA -0.074 53.367 54.000 -0.932 0.000 0.804 18 D CB 0.526 40.991 40.800 -0.559 0.000 1.122 18 D HN 0.281 nan 8.370 nan 0.000 0.519 19 T N 0.086 114.499 114.554 -0.235 0.000 2.916 19 T HA 0.561 4.911 4.350 0.000 0.000 0.298 19 T C -0.954 173.724 174.700 -0.037 0.000 1.031 19 T CA -0.605 61.370 62.100 -0.209 0.000 0.993 19 T CB 2.517 71.103 68.868 -0.470 0.000 1.045 19 T HN -0.122 nan 8.240 nan 0.000 0.454 20 V N 3.754 123.674 119.914 0.010 0.000 2.409 20 V HA 0.495 4.615 4.120 0.000 0.000 0.291 20 V C -0.905 174.954 176.094 -0.392 0.000 1.020 20 V CA -0.869 61.545 62.300 0.190 0.000 0.848 20 V CB 0.748 32.935 31.823 0.605 0.000 0.990 20 V HN 0.803 nan 8.190 nan 0.000 0.430 21 F N 3.240 123.154 119.950 -0.059 0.000 2.411 21 F HA 0.754 5.281 4.527 0.000 0.000 0.355 21 F C 0.952 176.620 175.800 -0.220 0.000 1.117 21 F CA -0.002 57.863 58.000 -0.225 0.000 1.139 21 F CB 1.581 40.502 39.000 -0.132 0.000 1.120 21 F HN 0.604 nan 8.300 nan 0.000 0.493 22 G N 2.469 111.117 108.800 -0.252 0.000 2.692 22 G HA2 0.320 4.280 3.960 0.000 0.000 0.291 22 G HA3 0.320 4.280 3.960 0.000 0.000 0.291 22 G C -2.167 172.800 174.900 0.112 0.000 1.423 22 G CA -0.882 44.196 45.100 -0.036 0.000 0.843 22 G HN 0.512 nan 8.290 nan 0.000 0.486 23 N N 1.073 119.897 118.700 0.207 0.000 2.461 23 N HA 0.455 5.195 4.740 0.000 0.000 0.284 23 N C -2.794 172.848 175.510 0.221 0.000 1.049 23 N CA -1.270 51.903 53.050 0.205 0.000 0.889 23 N CB 3.348 41.912 38.487 0.130 0.000 1.365 23 N HN 0.300 nan 8.380 nan 0.000 0.499 24 P HA 0.420 nan 4.420 nan 0.000 0.276 24 P C -0.362 176.963 177.300 0.041 0.000 1.252 24 P CA -0.072 63.110 63.100 0.137 0.000 0.802 24 P CB 1.794 33.520 31.700 0.045 0.000 1.035 25 G N -0.849 107.971 108.800 0.033 0.000 2.645 25 G HA2 0.368 4.328 3.960 0.000 0.000 0.292 25 G HA3 0.368 4.328 3.960 0.000 0.000 0.292 25 G C 0.657 175.571 174.900 0.023 0.000 1.415 25 G CA -0.027 44.957 45.100 -0.194 0.000 0.785 25 G HN 0.403 nan 8.290 nan 0.000 0.483 26 S N -0.236 115.453 115.700 -0.018 0.000 2.402 26 S HA -0.120 4.350 4.470 0.000 0.000 0.229 26 S C 1.690 176.504 174.600 0.356 0.000 1.021 26 S CA 1.493 59.788 58.200 0.158 0.000 0.974 26 S CB -0.221 63.041 63.200 0.104 0.000 0.800 26 S HN 0.422 nan 8.310 nan 0.000 0.484 27 N N 2.568 121.529 118.700 0.436 0.000 2.364 27 N HA 0.108 4.848 4.740 0.000 0.000 0.183 27 N C 1.422 177.215 175.510 0.472 0.000 1.022 27 N CA 1.242 54.584 53.050 0.487 0.000 0.883 27 N CB -0.540 38.153 38.487 0.344 0.000 0.965 27 N HN 0.688 nan 8.380 nan 0.000 0.438 28 A N -0.078 122.969 122.820 0.377 0.000 2.308 28 A HA 0.226 4.546 4.320 0.000 0.000 0.217 28 A C 1.995 179.703 177.584 0.205 0.000 1.216 28 A CA -0.239 51.982 52.037 0.307 0.000 0.864 28 A CB -0.105 19.080 19.000 0.308 0.000 0.902 28 A HN 0.107 nan 8.150 nan 0.000 0.499 29 L N -0.068 121.267 121.223 0.187 0.000 2.042 29 L HA -0.121 4.219 4.340 0.000 0.000 0.210 29 L C -0.663 176.205 176.870 -0.004 0.000 1.076 29 L CA 1.820 56.715 54.840 0.090 0.000 0.749 29 L CB -1.349 40.793 42.059 0.140 0.000 0.893 29 L HN 0.241 nan 8.230 nan 0.000 0.432 30 P HA -0.161 nan 4.420 nan 0.000 0.226 30 P C 1.292 178.539 177.300 -0.088 0.000 1.153 30 P CA 0.960 63.992 63.100 -0.113 0.000 0.777 30 P CB -0.001 31.572 31.700 -0.212 0.000 0.794 31 F N 0.124 119.778 119.950 -0.493 0.000 2.219 31 F HA 0.028 4.555 4.527 0.000 0.000 0.294 31 F C 1.697 177.428 175.800 -0.114 0.000 1.086 31 F CA 1.251 58.787 58.000 -0.773 0.000 1.330 31 F CB -0.642 37.668 39.000 -1.151 0.000 1.047 31 F HN -0.280 nan 8.300 nan 0.000 0.495 32 L N 0.765 121.897 121.223 -0.152 0.000 2.341 32 L HA -0.021 4.319 4.340 0.000 0.000 0.214 32 L C 1.187 178.014 176.870 -0.073 0.000 1.115 32 L CA 0.190 54.948 54.840 -0.135 0.000 0.820 32 L CB -0.779 41.210 42.059 -0.116 0.000 0.944 32 L HN 0.037 nan 8.230 nan 0.000 0.452 33 K N -0.108 120.257 120.400 -0.059 0.000 2.286 33 K HA -0.047 4.273 4.320 0.000 0.000 0.256 33 K C -0.232 176.323 176.600 -0.074 0.000 0.999 33 K CA -0.214 56.028 56.287 -0.076 0.000 0.908 33 K CB 0.320 32.761 32.500 -0.098 0.000 0.981 33 K HN -0.034 nan 8.250 nan 0.000 0.500 34 D N -0.197 120.138 120.400 -0.109 0.000 2.751 34 D HA -0.226 4.414 4.640 0.000 0.000 0.233 34 D C -0.651 175.558 176.300 -0.151 0.000 1.149 34 D CA 0.868 54.782 54.000 -0.144 0.000 0.682 34 D CB -1.466 39.175 40.800 -0.264 0.000 1.068 34 D HN 0.482 nan 8.370 nan 0.000 0.429 35 F N 1.108 120.880 119.950 -0.296 0.000 2.578 35 F HA 0.229 4.756 4.527 0.000 0.000 0.381 35 F C -1.522 174.023 175.800 -0.426 0.000 1.069 35 F CA -1.529 56.206 58.000 -0.441 0.000 1.231 35 F CB 0.474 39.293 39.000 -0.301 0.000 1.086 35 F HN -0.187 nan 8.300 nan 0.000 0.564 36 P HA 0.060 nan 4.420 nan 0.000 0.271 36 P C 0.167 177.269 177.300 -0.330 0.000 1.216 36 P CA 0.044 62.755 63.100 -0.649 0.000 0.776 36 P CB 0.584 31.791 31.700 -0.820 0.000 0.881 37 E N 1.310 121.418 120.200 -0.152 0.000 2.265 37 E HA -0.175 4.175 4.350 0.000 0.000 0.196 37 E C 0.898 177.492 176.600 -0.009 0.000 0.996 37 E CA 1.053 57.427 56.400 -0.044 0.000 0.832 37 E CB -0.049 29.628 29.700 -0.038 0.000 0.756 37 E HN 0.609 nan 8.360 nan 0.000 0.491 38 D N -0.312 120.087 120.400 -0.002 0.000 2.340 38 D HA -0.056 4.584 4.640 0.000 0.000 0.220 38 D C 0.127 176.433 176.300 0.010 0.000 1.039 38 D CA 0.069 54.074 54.000 0.009 0.000 0.866 38 D CB -0.082 40.716 40.800 -0.003 0.000 0.913 38 D HN -0.041 nan 8.370 nan 0.000 0.523 39 F N 1.399 121.209 119.950 -0.234 0.000 2.440 39 F HA 0.410 4.937 4.527 0.000 0.000 0.328 39 F C 0.980 176.801 175.800 0.035 0.000 1.070 39 F CA -1.265 56.605 58.000 -0.217 0.000 1.011 39 F CB 1.411 40.057 39.000 -0.590 0.000 1.226 39 F HN -0.228 nan 8.300 nan 0.000 0.491 40 R N 2.122 122.773 120.500 0.253 0.000 2.562 40 R HA 0.428 4.769 4.340 0.000 0.000 0.298 40 R C -2.195 174.277 176.300 0.286 0.000 0.961 40 R CA -0.594 55.642 56.100 0.226 0.000 0.881 40 R CB 1.336 31.627 30.300 -0.015 0.000 1.159 40 R HN 0.726 nan 8.270 nan 0.000 0.450 41 Y N 4.602 124.939 120.300 0.062 0.000 2.331 41 Y HA 0.421 4.971 4.550 0.000 0.000 0.338 41 Y C -0.733 175.033 175.900 -0.224 0.000 0.992 41 Y CA -1.016 56.995 58.100 -0.149 0.000 1.121 41 Y CB 1.278 39.479 38.460 -0.431 0.000 1.184 41 Y HN 0.499 nan 8.280 nan 0.000 0.469 42 I N 8.330 128.481 120.570 -0.698 0.000 2.359 42 I HA 0.161 4.331 4.170 0.000 0.000 0.284 42 I C -0.801 175.076 176.117 -0.399 0.000 1.018 42 I CA -0.796 60.106 61.300 -0.664 0.000 1.173 42 I CB 0.972 38.525 38.000 -0.744 0.000 1.326 42 I HN 0.515 nan 8.210 nan 0.000 0.462 43 L N 6.834 128.132 121.223 0.126 0.000 2.349 43 L HA 0.697 5.037 4.340 0.000 0.000 0.275 43 L C 0.083 177.178 176.870 0.374 0.000 1.115 43 L CA 0.304 55.347 54.840 0.339 0.000 0.820 43 L CB 1.068 43.495 42.059 0.613 0.000 1.135 43 L HN 0.704 nan 8.230 nan 0.000 0.445 44 A N 4.914 127.882 122.820 0.248 0.000 2.423 44 A HA 0.592 4.912 4.320 0.000 0.000 0.304 44 A C 0.304 177.953 177.584 0.109 0.000 1.104 44 A CA -0.633 51.538 52.037 0.223 0.000 0.757 44 A CB 1.123 20.210 19.000 0.145 0.000 1.313 44 A HN 0.838 nan 8.150 nan 0.000 0.423 45 L N -0.291 120.944 121.223 0.019 0.000 2.509 45 L HA 0.177 4.517 4.340 0.000 0.000 0.222 45 L C 0.825 177.669 176.870 -0.043 0.000 1.123 45 L CA 0.742 55.523 54.840 -0.099 0.000 0.856 45 L CB 0.111 42.021 42.059 -0.249 0.000 0.985 45 L HN 0.699 nan 8.230 nan 0.000 0.456 46 Q N -0.459 119.340 119.800 -0.002 0.000 2.377 46 Q HA 0.137 4.477 4.340 0.000 0.000 0.279 46 Q C -0.428 175.596 176.000 0.041 0.000 1.049 46 Q CA -0.237 55.578 55.803 0.019 0.000 0.825 46 Q CB 2.408 31.154 28.738 0.014 0.000 1.401 46 Q HN 0.005 nan 8.270 nan 0.000 0.404 47 E N 1.023 121.255 120.200 0.053 0.000 2.208 47 E HA -0.034 4.316 4.350 0.000 0.000 0.193 47 E C 1.475 178.105 176.600 0.051 0.000 0.988 47 E CA 1.281 57.718 56.400 0.061 0.000 0.828 47 E CB 0.094 29.838 29.700 0.073 0.000 0.763 47 E HN 0.652 nan 8.360 nan 0.000 0.478 48 A N 0.291 123.140 122.820 0.049 0.000 1.933 48 A HA -0.221 4.099 4.320 0.000 0.000 0.218 48 A C 2.242 179.848 177.584 0.037 0.000 1.175 48 A CA 1.394 53.461 52.037 0.050 0.000 0.628 48 A CB -0.888 18.151 19.000 0.065 0.000 0.814 48 A HN 0.422 nan 8.150 nan 0.000 0.444 49 C N -1.397 117.922 119.300 0.032 0.000 2.446 49 C HA -0.017 4.443 4.460 0.000 0.000 0.277 49 C C 2.670 177.668 174.990 0.014 0.000 1.275 49 C CA 0.719 59.748 59.018 0.018 0.000 1.727 49 C CB -1.321 26.430 27.740 0.019 0.000 2.010 49 C HN 0.450 nan 8.230 nan 0.000 0.486 50 V N 1.166 121.102 119.914 0.037 0.000 2.252 50 V HA -0.234 3.886 4.120 0.000 0.000 0.249 50 V C 2.450 178.539 176.094 -0.009 0.000 1.056 50 V CA 2.387 64.715 62.300 0.046 0.000 1.022 50 V CB -0.815 31.052 31.823 0.073 0.000 0.641 50 V HN 0.472 nan 8.190 nan 0.000 0.445 51 V N 0.643 120.557 119.914 -0.001 0.000 2.453 51 V HA -0.105 4.015 4.120 0.000 0.000 0.247 51 V C 2.612 178.674 176.094 -0.054 0.000 1.048 51 V CA 1.929 64.216 62.300 -0.021 0.000 1.049 51 V CB -1.301 30.535 31.823 0.023 0.000 0.672 51 V HN 0.619 nan 8.190 nan 0.000 0.457 52 G N 0.090 108.867 108.800 -0.038 0.000 2.418 52 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 52 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 52 G C 1.575 176.357 174.900 -0.197 0.000 1.158 52 G CA 1.029 46.080 45.100 -0.082 0.000 0.771 52 G HN 0.483 nan 8.290 nan 0.000 0.545 53 I N 1.377 121.831 120.570 -0.193 0.000 2.179 53 I HA -0.176 3.994 4.170 0.000 0.000 0.242 53 I C 3.316 179.129 176.117 -0.506 0.000 1.088 53 I CA 1.036 62.183 61.300 -0.255 0.000 1.357 53 I CB -0.276 37.649 38.000 -0.125 0.000 1.051 53 I HN 0.237 nan 8.210 nan 0.000 0.409 54 A N 0.286 122.669 122.820 -0.728 0.000 1.908 54 A HA -0.305 4.015 4.320 0.000 0.000 0.218 54 A C 2.057 179.403 177.584 -0.396 0.000 1.181 54 A CA 2.305 53.727 52.037 -1.026 0.000 0.627 54 A CB -0.677 17.926 19.000 -0.660 0.000 0.818 54 A HN 0.457 nan 8.150 nan 0.000 0.445 55 D N -0.441 119.834 120.400 -0.208 0.000 2.084 55 D HA -0.075 4.565 4.640 0.000 0.000 0.194 55 D C 2.107 178.362 176.300 -0.076 0.000 0.990 55 D CA 1.747 55.718 54.000 -0.048 0.000 0.826 55 D CB -0.702 40.149 40.800 0.086 0.000 0.971 55 D HN 0.292 nan 8.370 nan 0.000 0.453 56 G N -0.963 107.724 108.800 -0.188 0.000 2.440 56 G HA2 -0.324 3.636 3.960 0.000 0.000 0.218 56 G HA3 -0.324 3.636 3.960 0.000 0.000 0.218 56 G C 1.699 176.466 174.900 -0.221 0.000 1.154 56 G CA 1.017 45.938 45.100 -0.297 0.000 0.767 56 G HN 0.386 nan 8.290 nan 0.000 0.552 57 Y N 1.914 122.048 120.300 -0.277 0.000 2.145 57 Y HA -0.027 4.523 4.550 0.000 0.000 0.286 57 Y C 2.951 178.793 175.900 -0.097 0.000 1.145 57 Y CA 1.628 59.625 58.100 -0.172 0.000 1.148 57 Y CB -0.373 37.971 38.460 -0.193 0.000 0.981 57 Y HN 0.248 nan 8.280 nan 0.000 0.507 58 A N -0.001 122.808 122.820 -0.018 0.000 1.902 58 A HA -0.221 4.099 4.320 0.000 0.000 0.217 58 A C 2.116 179.670 177.584 -0.050 0.000 1.181 58 A CA 1.857 53.883 52.037 -0.017 0.000 0.623 58 A CB -0.708 18.320 19.000 0.046 0.000 0.818 58 A HN 0.660 nan 8.150 nan 0.000 0.443 59 Q N -0.814 118.957 119.800 -0.048 0.000 2.079 59 Q HA -0.088 4.252 4.340 0.000 0.000 0.200 59 Q C 2.405 178.421 176.000 0.028 0.000 0.974 59 Q CA 1.366 57.184 55.803 0.025 0.000 0.840 59 Q CB -0.315 28.461 28.738 0.063 0.000 0.898 59 Q HN 0.684 nan 8.270 nan 0.000 0.430 60 A N 0.985 123.741 122.820 -0.107 0.000 1.930 60 A HA -0.121 4.199 4.320 0.000 0.000 0.215 60 A C 2.218 179.738 177.584 -0.106 0.000 1.176 60 A CA 1.471 53.477 52.037 -0.053 0.000 0.632 60 A CB -0.355 18.562 19.000 -0.139 0.000 0.819 60 A HN 0.417 nan 8.150 nan 0.000 0.445 61 S N -1.193 114.366 115.700 -0.235 0.000 2.461 61 S HA -0.011 4.459 4.470 0.000 0.000 0.228 61 S C 0.905 175.439 174.600 -0.110 0.000 1.005 61 S CA 0.560 58.611 58.200 -0.249 0.000 0.942 61 S CB -0.329 62.581 63.200 -0.483 0.000 0.776 61 S HN 0.530 nan 8.310 nan 0.000 0.514 62 R N 1.075 121.540 120.500 -0.058 0.000 3.422 62 R HA -0.154 4.186 4.340 0.000 0.000 0.267 62 R C -0.512 175.788 176.300 -0.000 0.000 1.074 62 R CA 1.227 57.323 56.100 -0.006 0.000 0.718 62 R CB -2.179 28.125 30.300 0.007 0.000 1.157 62 R HN 0.870 nan 8.270 nan 0.000 0.440 63 K N -1.405 118.994 120.400 -0.001 0.000 2.555 63 K HA 0.578 4.898 4.320 0.000 0.000 0.279 63 K C -3.126 173.518 176.600 0.074 0.000 0.986 63 K CA -2.121 54.187 56.287 0.035 0.000 0.880 63 K CB 2.640 35.159 32.500 0.032 0.000 1.474 63 K HN -0.299 nan 8.250 nan 0.000 0.433 64 P HA 0.106 nan 4.420 nan 0.000 0.269 64 P C -1.095 176.335 177.300 0.217 0.000 1.215 64 P CA -0.251 62.932 63.100 0.138 0.000 0.780 64 P CB 0.921 32.700 31.700 0.131 0.000 0.898 65 A N 2.454 125.417 122.820 0.238 0.000 2.350 65 A HA 0.646 4.966 4.320 0.000 0.000 0.324 65 A C -1.365 176.425 177.584 0.343 0.000 1.118 65 A CA -0.581 51.663 52.037 0.347 0.000 0.783 65 A CB 0.645 19.798 19.000 0.254 0.000 1.236 65 A HN 0.472 nan 8.150 nan 0.000 0.457 66 F N 2.273 122.405 119.950 0.304 0.000 2.436 66 F HA 0.749 5.276 4.527 0.000 0.000 0.340 66 F C -0.636 175.346 175.800 0.303 0.000 1.113 66 F CA -0.706 57.447 58.000 0.256 0.000 1.022 66 F CB 0.953 40.094 39.000 0.236 0.000 1.128 66 F HN 0.428 nan 8.300 nan 0.000 0.466 67 I N 4.719 125.085 120.570 -0.341 0.000 2.608 67 I HA 0.335 4.505 4.170 0.000 0.000 0.295 67 I C -1.195 174.750 176.117 -0.288 0.000 1.049 67 I CA -0.852 60.377 61.300 -0.119 0.000 1.063 67 I CB 2.287 40.259 38.000 -0.046 0.000 1.248 67 I HN 0.569 nan 8.210 nan 0.000 0.424 68 N N 5.881 124.594 118.700 0.021 0.000 2.410 68 N HA 0.677 5.417 4.740 0.000 0.000 0.287 68 N C -1.688 173.908 175.510 0.143 0.000 1.044 68 N CA -0.376 52.724 53.050 0.084 0.000 0.881 68 N CB 1.238 39.936 38.487 0.351 0.000 1.405 68 N HN 0.461 nan 8.380 nan 0.000 0.490 69 L N 1.097 122.385 121.223 0.108 0.000 2.279 69 L HA 0.494 4.834 4.340 0.000 0.000 0.262 69 L C -0.572 176.411 176.870 0.189 0.000 1.019 69 L CA -1.230 53.702 54.840 0.153 0.000 0.823 69 L CB 1.582 43.719 42.059 0.130 0.000 1.358 69 L HN 0.606 nan 8.230 nan 0.000 0.432 70 H N 0.400 119.534 119.070 0.105 0.000 2.641 70 H HA 0.395 4.951 4.556 0.000 0.000 0.295 70 H C 0.196 175.580 175.328 0.094 0.000 1.070 70 H CA 0.733 56.843 56.048 0.103 0.000 1.257 70 H CB 0.875 30.695 29.762 0.096 0.000 1.393 70 H HN 0.695 nan 8.280 nan 0.000 0.464 71 S N 2.757 118.260 115.700 -0.329 0.000 3.118 71 S HA -0.348 4.122 4.470 0.000 0.000 0.631 71 S C 1.649 176.192 174.600 -0.096 0.000 2.944 71 S CA 1.235 59.254 58.200 -0.301 0.000 3.398 71 S CB -1.331 61.493 63.200 -0.625 0.000 0.312 71 S HN 1.138 nan 8.310 nan 0.000 1.625 72 A N 0.223 122.995 122.820 -0.080 0.000 1.897 72 A HA 0.351 4.671 4.320 0.000 0.000 0.215 72 A C 2.566 180.147 177.584 -0.005 0.000 1.181 72 A CA 2.309 54.334 52.037 -0.021 0.000 0.620 72 A CB -1.401 17.584 19.000 -0.025 0.000 0.821 72 A HN 1.692 nan 8.150 nan 0.000 0.443 73 A N -0.367 122.456 122.820 0.005 0.000 1.898 73 A HA 0.153 4.473 4.320 0.000 0.000 0.216 73 A C 2.390 180.013 177.584 0.066 0.000 1.181 73 A CA 1.872 53.936 52.037 0.045 0.000 0.620 73 A CB -1.343 17.705 19.000 0.080 0.000 0.819 73 A HN 0.674 nan 8.150 nan 0.000 0.442 74 G N -1.064 107.792 108.800 0.094 0.000 2.421 74 G HA2 -0.142 3.818 3.960 0.000 0.000 0.216 74 G HA3 -0.142 3.818 3.960 0.000 0.000 0.216 74 G C 1.584 176.534 174.900 0.084 0.000 1.171 74 G CA 1.647 46.815 45.100 0.113 0.000 0.775 74 G HN 0.418 nan 8.290 nan 0.000 0.543 75 T N 1.045 115.645 114.554 0.078 0.000 2.684 75 T HA -0.080 4.270 4.350 0.000 0.000 0.267 75 T C 2.493 177.195 174.700 0.003 0.000 1.036 75 T CA 1.602 63.739 62.100 0.062 0.000 1.148 75 T CB -0.670 68.241 68.868 0.071 0.000 0.863 75 T HN 0.360 nan 8.240 nan 0.000 0.436 76 G N 1.944 110.742 108.800 -0.004 0.000 2.418 76 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 76 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 76 G C 1.616 176.519 174.900 0.005 0.000 1.158 76 G CA 0.633 45.723 45.100 -0.016 0.000 0.771 76 G HN 0.388 nan 8.290 nan 0.000 0.545 77 N N 1.081 119.797 118.700 0.027 0.000 2.348 77 N HA -0.039 4.701 4.740 0.000 0.000 0.185 77 N C 2.029 177.562 175.510 0.037 0.000 1.019 77 N CA 1.037 54.109 53.050 0.037 0.000 0.880 77 N CB -0.193 38.323 38.487 0.049 0.000 0.965 77 N HN 0.349 nan 8.380 nan 0.000 0.437 78 A N -0.434 122.405 122.820 0.032 0.000 2.275 78 A HA 0.201 4.521 4.320 0.000 0.000 0.212 78 A C 1.969 179.562 177.584 0.015 0.000 1.201 78 A CA -0.091 51.965 52.037 0.033 0.000 0.843 78 A CB -0.134 18.892 19.000 0.043 0.000 0.873 78 A HN 0.125 nan 8.150 nan 0.000 0.492 79 M N -0.698 118.899 119.600 -0.005 0.000 2.319 79 M HA -0.041 4.439 4.480 0.000 0.000 0.265 79 M C 2.227 178.517 176.300 -0.016 0.000 1.068 79 M CA 1.230 56.512 55.300 -0.029 0.000 1.118 79 M CB -0.247 32.320 32.600 -0.056 0.000 1.395 79 M HN 0.535 nan 8.290 nan 0.000 0.435 80 G N 0.229 109.029 108.800 0.000 0.000 2.418 80 G HA2 -0.163 3.797 3.960 0.000 0.000 0.217 80 G HA3 -0.163 3.797 3.960 0.000 0.000 0.217 80 G C 1.612 176.516 174.900 0.007 0.000 1.158 80 G CA 0.970 46.070 45.100 -0.001 0.000 0.771 80 G HN 0.524 nan 8.290 nan 0.000 0.545 81 A N 0.593 123.431 122.820 0.031 0.000 1.933 81 A HA 0.098 4.418 4.320 0.000 0.000 0.218 81 A C 2.407 180.022 177.584 0.052 0.000 1.175 81 A CA 1.205 53.276 52.037 0.056 0.000 0.628 81 A CB -0.382 18.656 19.000 0.064 0.000 0.814 81 A HN 0.359 nan 8.150 nan 0.000 0.444 82 L N -0.476 120.770 121.223 0.038 0.000 2.191 82 L HA -0.148 4.192 4.340 0.000 0.000 0.212 82 L C 2.884 179.796 176.870 0.069 0.000 1.103 82 L CA 1.287 56.160 54.840 0.055 0.000 0.769 82 L CB -0.423 41.653 42.059 0.028 0.000 0.908 82 L HN 0.542 nan 8.230 nan 0.000 0.438 83 S N 0.364 116.078 115.700 0.022 0.000 2.359 83 S HA -0.196 4.274 4.470 0.000 0.000 0.224 83 S C 1.873 176.498 174.600 0.043 0.000 1.035 83 S CA 1.629 59.842 58.200 0.021 0.000 1.018 83 S CB -0.183 63.000 63.200 -0.028 0.000 0.876 83 S HN 0.455 nan 8.310 nan 0.000 0.448 84 N N 1.804 120.491 118.700 -0.022 0.000 2.084 84 N HA -0.023 4.717 4.740 0.000 0.000 0.190 84 N C 2.008 177.483 175.510 -0.058 0.000 1.030 84 N CA 1.457 54.440 53.050 -0.112 0.000 0.849 84 N CB -0.967 37.385 38.487 -0.224 0.000 1.012 84 N HN 0.553 nan 8.380 nan 0.000 0.423 85 A N 1.316 124.152 122.820 0.027 0.000 1.972 85 A HA -0.165 4.155 4.320 0.000 0.000 0.219 85 A C 2.064 179.699 177.584 0.086 0.000 1.169 85 A CA 1.013 53.085 52.037 0.059 0.000 0.635 85 A CB -1.024 18.036 19.000 0.099 0.000 0.810 85 A HN 0.595 nan 8.150 nan 0.000 0.446 86 W N 1.130 122.407 121.300 -0.038 0.000 2.354 86 W HA -0.209 4.451 4.660 0.000 0.000 0.315 86 W C 1.433 177.888 176.519 -0.106 0.000 1.206 86 W CA 2.067 59.393 57.345 -0.031 0.000 1.290 86 W CB -0.462 28.982 29.460 -0.027 0.000 1.152 86 W HN 0.400 nan 8.180 nan 0.000 0.489 87 N N 0.374 119.058 118.700 -0.027 0.000 2.309 87 N HA -0.149 4.591 4.740 0.000 0.000 0.182 87 N C 1.783 177.081 175.510 -0.353 0.000 1.018 87 N CA 2.031 54.962 53.050 -0.197 0.000 0.876 87 N CB -0.547 37.900 38.487 -0.068 0.000 0.972 87 N HN 0.153 nan 8.380 nan 0.000 0.434 88 S N -1.360 114.191 115.700 -0.247 0.000 2.575 88 S HA 0.066 4.536 4.470 0.000 0.000 0.215 88 S C -0.116 174.414 174.600 -0.116 0.000 0.966 88 S CA -0.268 57.829 58.200 -0.171 0.000 0.911 88 S CB -0.590 62.564 63.200 -0.076 0.000 0.780 88 S HN 0.420 nan 8.310 nan 0.000 0.514 89 H N 0.764 119.750 119.070 -0.141 0.000 2.770 89 H HA -0.128 4.428 4.556 0.000 0.000 0.309 89 H C -0.621 174.671 175.328 -0.060 0.000 1.206 89 H CA 0.381 56.337 56.048 -0.153 0.000 1.147 89 H CB -2.206 27.474 29.762 -0.137 0.000 1.422 89 H HN 0.355 nan 8.280 nan 0.000 0.420 90 S N 2.359 118.098 115.700 0.064 0.000 2.505 90 S HA 0.148 4.618 4.470 0.000 0.000 0.276 90 S C -1.851 172.796 174.600 0.079 0.000 1.274 90 S CA -1.039 57.205 58.200 0.074 0.000 1.053 90 S CB 1.011 64.253 63.200 0.070 0.000 0.919 90 S HN 0.199 nan 8.310 nan 0.000 0.490 91 P HA 0.247 nan 4.420 nan 0.000 0.256 91 P C -1.096 176.264 177.300 0.099 0.000 1.689 91 P CA -0.056 63.094 63.100 0.084 0.000 1.124 91 P CB -0.149 31.595 31.700 0.074 0.000 1.766 92 L N 4.499 125.784 121.223 0.104 0.000 2.313 92 L HA 0.514 4.854 4.340 0.000 0.000 0.283 92 L C 0.566 177.498 176.870 0.102 0.000 1.013 92 L CA -1.003 53.896 54.840 0.098 0.000 0.816 92 L CB 2.001 44.108 42.059 0.080 0.000 1.236 92 L HN 0.152 nan 8.230 nan 0.000 0.419 93 I N 4.091 124.709 120.570 0.080 0.000 2.307 93 I HA 0.203 4.373 4.170 0.000 0.000 0.287 93 I C -0.306 175.724 176.117 -0.145 0.000 1.054 93 I CA -0.483 60.837 61.300 0.034 0.000 1.218 93 I CB 1.296 39.367 38.000 0.120 0.000 1.398 93 I HN 0.227 nan 8.210 nan 0.000 0.475 94 V N 5.350 125.233 119.914 -0.051 0.000 2.348 94 V HA 0.272 4.392 4.120 0.000 0.000 0.270 94 V C 0.634 176.611 176.094 -0.195 0.000 1.037 94 V CA -0.439 61.821 62.300 -0.068 0.000 0.872 94 V CB 1.015 32.928 31.823 0.151 0.000 1.002 94 V HN 0.797 nan 8.190 nan 0.000 0.464 95 T N 2.334 116.683 114.554 -0.343 0.000 2.902 95 T HA 0.854 5.204 4.350 0.000 0.000 0.283 95 T C -0.311 174.244 174.700 -0.241 0.000 1.009 95 T CA -0.504 61.388 62.100 -0.346 0.000 1.051 95 T CB 1.983 70.639 68.868 -0.354 0.000 0.999 95 T HN 0.955 nan 8.240 nan 0.000 0.474 96 A N 1.739 124.393 122.820 -0.277 0.000 2.381 96 A HA 0.811 5.131 4.320 0.000 0.000 0.299 96 A C 0.345 177.895 177.584 -0.057 0.000 1.049 96 A CA -0.701 51.264 52.037 -0.120 0.000 0.715 96 A CB 1.159 20.116 19.000 -0.071 0.000 1.222 96 A HN 1.331 nan 8.150 nan 0.000 0.428 97 G N 0.770 109.601 108.800 0.051 0.000 2.378 97 G HA2 0.463 4.423 3.960 0.000 0.000 0.255 97 G HA3 0.463 4.423 3.960 0.000 0.000 0.255 97 G C -0.148 174.784 174.900 0.054 0.000 1.270 97 G CA 0.042 45.220 45.100 0.130 0.000 0.876 97 G HN 0.850 nan 8.290 nan 0.000 0.521 98 Q N 0.743 120.590 119.800 0.079 0.000 2.297 98 Q HA 0.335 4.675 4.340 0.000 0.000 0.268 98 Q C 0.273 176.333 176.000 0.100 0.000 1.045 98 Q CA -0.688 55.137 55.803 0.037 0.000 0.861 98 Q CB 1.099 29.835 28.738 -0.003 0.000 1.344 98 Q HN 0.497 nan 8.270 nan 0.000 0.452 99 Q N 0.471 120.302 119.800 0.052 0.000 2.524 99 Q HA 0.054 4.394 4.340 0.000 0.000 0.246 99 Q C -0.454 175.592 176.000 0.075 0.000 1.063 99 Q CA 0.355 56.188 55.803 0.050 0.000 0.945 99 Q CB 0.609 29.351 28.738 0.006 0.000 1.292 99 Q HN 0.841 nan 8.270 nan 0.000 0.518 100 T N 0.882 115.466 114.554 0.051 0.000 2.937 100 T HA -0.011 4.339 4.350 0.000 0.000 0.316 100 T C 1.391 176.115 174.700 0.040 0.000 1.079 100 T CA 0.140 62.291 62.100 0.086 0.000 1.131 100 T CB 0.369 69.256 68.868 0.032 0.000 1.000 100 T HN 0.485 nan 8.240 nan 0.000 0.549 101 R N 2.988 123.513 120.500 0.041 0.000 2.105 101 R HA -0.118 4.222 4.340 0.000 0.000 0.239 101 R C 2.509 178.812 176.300 0.005 0.000 1.135 101 R CA 1.478 57.583 56.100 0.010 0.000 0.967 101 R CB -0.487 29.814 30.300 0.001 0.000 0.861 101 R HN 0.724 nan 8.270 nan 0.000 0.442 102 A N 0.254 123.081 122.820 0.011 0.000 2.168 102 A HA -0.043 4.277 4.320 0.000 0.000 0.215 102 A C 1.733 179.314 177.584 -0.004 0.000 1.152 102 A CA 0.957 52.997 52.037 0.004 0.000 0.716 102 A CB 0.035 19.040 19.000 0.008 0.000 0.794 102 A HN 0.109 nan 8.150 nan 0.000 0.465 103 M N -1.084 118.511 119.600 -0.009 0.000 2.333 103 M HA 0.315 4.795 4.480 0.000 0.000 0.257 103 M C 1.449 177.741 176.300 -0.013 0.000 1.078 103 M CA 0.255 55.546 55.300 -0.015 0.000 1.005 103 M CB -0.585 31.999 32.600 -0.027 0.000 1.444 103 M HN 0.367 nan 8.290 nan 0.000 0.496 104 I N 0.064 120.627 120.570 -0.012 0.000 2.252 104 I HA -0.147 4.023 4.170 0.000 0.000 0.245 104 I C 2.441 178.548 176.117 -0.015 0.000 1.102 104 I CA 1.335 62.626 61.300 -0.015 0.000 1.385 104 I CB -0.592 37.397 38.000 -0.019 0.000 1.064 104 I HN 0.324 nan 8.210 nan 0.000 0.414 105 G N 0.060 108.852 108.800 -0.014 0.000 2.418 105 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 105 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 105 G C 1.691 176.584 174.900 -0.011 0.000 1.158 105 G CA 0.792 45.884 45.100 -0.013 0.000 0.771 105 G HN 0.300 nan 8.290 nan 0.000 0.545 106 V N 0.381 120.288 119.914 -0.010 0.000 3.380 106 V HA 0.099 4.219 4.120 0.000 0.000 0.268 106 V C 0.755 176.843 176.094 -0.009 0.000 1.168 106 V CA 1.137 63.432 62.300 -0.009 0.000 1.156 106 V CB -0.775 31.043 31.823 -0.009 0.000 0.785 106 V HN 0.643 nan 8.190 nan 0.000 0.487 107 E N -0.131 120.063 120.200 -0.011 0.000 2.246 107 E HA -0.210 4.140 4.350 0.000 0.000 0.211 107 E C 0.425 177.020 176.600 -0.008 0.000 1.278 107 E CA 0.164 56.558 56.400 -0.010 0.000 0.694 107 E CB -1.542 28.152 29.700 -0.010 0.000 1.166 107 E HN 0.765 nan 8.360 nan 0.000 0.370 108 A N 0.864 123.678 122.820 -0.009 0.000 2.492 108 A HA 0.235 4.555 4.320 0.000 0.000 0.236 108 A C 0.540 178.123 177.584 -0.001 0.000 1.078 108 A CA -0.161 51.872 52.037 -0.008 0.000 0.773 108 A CB 0.348 19.339 19.000 -0.014 0.000 1.023 108 A HN 0.388 nan 8.150 nan 0.000 0.504 109 L N 1.090 122.316 121.223 0.004 0.000 2.593 109 L HA 0.048 4.388 4.340 0.000 0.000 0.287 109 L C 0.840 177.727 176.870 0.028 0.000 1.243 109 L CA 1.620 56.470 54.840 0.017 0.000 0.890 109 L CB -0.362 41.710 42.059 0.022 0.000 1.134 109 L HN 0.752 nan 8.230 nan 0.000 0.502 110 L N 1.402 122.647 121.223 0.037 0.000 4.892 110 L HA -0.218 4.122 4.340 0.000 0.000 0.403 110 L C 0.410 177.269 176.870 -0.018 0.000 0.913 110 L CA 0.428 55.290 54.840 0.038 0.000 1.653 110 L CB -2.575 39.561 42.059 0.129 0.000 1.780 110 L HN 0.730 nan 8.230 nan 0.000 0.597 111 T N 1.146 115.693 114.554 -0.012 0.000 2.870 111 T HA 0.160 4.510 4.350 0.000 0.000 0.300 111 T C 0.625 175.306 174.700 -0.031 0.000 0.989 111 T CA 0.071 62.159 62.100 -0.021 0.000 1.139 111 T CB 0.967 69.826 68.868 -0.015 0.000 0.920 111 T HN 0.172 nan 8.240 nan 0.000 0.537 112 N N 3.774 122.453 118.700 -0.035 0.000 2.521 112 N HA 0.146 4.886 4.740 0.000 0.000 0.236 112 N C -0.594 174.903 175.510 -0.022 0.000 1.067 112 N CA -0.331 52.703 53.050 -0.027 0.000 0.939 112 N CB 0.233 38.710 38.487 -0.016 0.000 1.201 112 N HN 0.272 nan 8.380 nan 0.000 0.511 113 V N 3.298 123.199 119.914 -0.023 0.000 2.572 113 V HA 0.030 4.150 4.120 0.000 0.000 0.291 113 V C 0.779 176.856 176.094 -0.029 0.000 1.039 113 V CA -0.181 62.104 62.300 -0.025 0.000 1.055 113 V CB 0.614 32.424 31.823 -0.023 0.000 0.969 113 V HN 0.759 nan 8.190 nan 0.000 0.482 114 D N 3.358 123.738 120.400 -0.033 0.000 2.689 114 D HA -0.244 4.396 4.640 0.000 0.000 0.237 114 D C 1.280 177.559 176.300 -0.035 0.000 1.148 114 D CA 0.947 54.924 54.000 -0.039 0.000 0.656 114 D CB -0.607 40.170 40.800 -0.038 0.000 1.050 114 D HN 0.809 nan 8.370 nan 0.000 0.426 115 A N 0.445 123.252 122.820 -0.021 0.000 1.892 115 A HA 0.009 4.329 4.320 0.000 0.000 0.218 115 A C 2.512 180.134 177.584 0.064 0.000 1.188 115 A CA 2.614 54.672 52.037 0.035 0.000 0.631 115 A CB -0.788 18.241 19.000 0.048 0.000 0.822 115 A HN 0.825 nan 8.150 nan 0.000 0.447 116 A N -0.423 122.403 122.820 0.011 0.000 2.070 116 A HA -0.154 4.166 4.320 0.000 0.000 0.220 116 A C 1.820 179.366 177.584 -0.062 0.000 1.159 116 A CA 1.633 53.670 52.037 0.001 0.000 0.656 116 A CB -0.517 18.436 19.000 -0.078 0.000 0.800 116 A HN 0.547 nan 8.150 nan 0.000 0.453 117 N N -0.526 118.130 118.700 -0.073 0.000 2.416 117 N HA -0.043 4.697 4.740 0.000 0.000 0.177 117 N C 1.486 176.915 175.510 -0.135 0.000 1.036 117 N CA 0.738 53.732 53.050 -0.093 0.000 0.901 117 N CB -0.248 38.197 38.487 -0.070 0.000 0.976 117 N HN 0.440 nan 8.380 nan 0.000 0.444 118 L N 2.660 123.787 121.223 -0.160 0.000 1.989 118 L HA -0.044 4.296 4.340 0.000 0.000 0.211 118 L C -0.994 175.714 176.870 -0.270 0.000 1.071 118 L CA 2.076 56.798 54.840 -0.198 0.000 0.749 118 L CB -1.368 40.578 42.059 -0.188 0.000 0.890 118 L HN 0.094 nan 8.230 nan 0.000 0.431 119 P HA -0.060 nan 4.420 nan 0.000 0.245 119 P C -0.089 177.060 177.300 -0.252 0.000 1.206 119 P CA 0.311 63.187 63.100 -0.373 0.000 0.781 119 P CB -0.077 31.276 31.700 -0.579 0.000 0.994 120 R N 2.063 122.434 120.500 -0.216 0.000 2.590 120 R HA 0.137 4.477 4.340 0.000 0.000 0.274 120 R C -1.409 174.773 176.300 -0.197 0.000 1.061 120 R CA -0.895 55.091 56.100 -0.190 0.000 1.081 120 R CB -0.139 30.075 30.300 -0.143 0.000 0.984 120 R HN 0.126 nan 8.270 nan 0.000 0.448 121 P HA 0.113 nan 4.420 nan 0.000 0.254 121 P C 0.085 177.036 177.300 -0.581 0.000 1.620 121 P CA 0.278 63.175 63.100 -0.338 0.000 1.050 121 P CB 0.319 31.834 31.700 -0.307 0.000 1.539 122 L N -0.084 120.877 121.223 -0.437 0.000 2.653 122 L HA 0.184 4.524 4.340 0.000 0.000 0.231 122 L C 0.839 177.631 176.870 -0.130 0.000 1.153 122 L CA -0.241 54.333 54.840 -0.444 0.000 0.933 122 L CB 0.300 42.235 42.059 -0.207 0.000 1.175 122 L HN -0.101 nan 8.230 nan 0.000 0.473 123 V N -4.980 114.877 119.914 -0.094 0.000 2.914 123 V HA 0.385 4.505 4.120 0.000 0.000 0.314 123 V C 0.652 176.958 176.094 0.353 0.000 1.084 123 V CA -0.997 61.435 62.300 0.220 0.000 0.963 123 V CB 2.166 34.072 31.823 0.139 0.000 1.025 123 V HN 0.045 nan 8.190 nan 0.000 0.432 124 K N 0.934 121.643 120.400 0.515 0.000 2.217 124 K HA 0.119 4.439 4.320 0.000 0.000 0.202 124 K C -0.275 176.578 176.600 0.422 0.000 1.051 124 K CA 1.485 58.056 56.287 0.474 0.000 0.952 124 K CB 0.174 32.879 32.500 0.342 0.000 0.736 124 K HN 0.746 nan 8.250 nan 0.000 0.453 125 W N 0.362 121.757 121.300 0.158 0.000 3.479 125 W HA 0.224 4.884 4.660 0.000 0.000 0.304 125 W C -1.728 174.884 176.519 0.155 0.000 1.243 125 W CA -0.726 56.691 57.345 0.120 0.000 1.202 125 W CB 1.538 31.045 29.460 0.079 0.000 1.346 125 W HN -0.143 nan 8.180 nan 0.000 0.539 126 S N 4.186 119.598 115.700 -0.481 0.000 2.572 126 S HA 0.783 5.253 4.470 0.000 0.000 0.274 126 S C -1.892 172.385 174.600 -0.537 0.000 1.150 126 S CA -0.622 57.378 58.200 -0.333 0.000 0.944 126 S CB 2.083 65.233 63.200 -0.083 0.000 1.071 126 S HN 0.760 nan 8.310 nan 0.000 0.479 127 Y N 0.705 120.623 120.300 -0.637 0.000 2.558 127 Y HA 0.596 5.146 4.550 0.000 0.000 0.333 127 Y C -1.514 174.193 175.900 -0.323 0.000 1.125 127 Y CA -0.595 57.141 58.100 -0.607 0.000 1.039 127 Y CB 1.838 39.641 38.460 -1.095 0.000 1.331 127 Y HN 0.955 nan 8.280 nan 0.000 0.456 128 E N 6.297 126.040 120.200 -0.762 0.000 2.218 128 E HA 0.509 4.859 4.350 0.000 0.000 0.263 128 E C -2.846 173.242 176.600 -0.853 0.000 0.879 128 E CA -2.507 53.547 56.400 -0.577 0.000 0.762 128 E CB 1.858 31.353 29.700 -0.342 0.000 1.166 128 E HN 0.307 nan 8.360 nan 0.000 0.415 129 P HA 0.098 nan 4.420 nan 0.000 0.272 129 P C -0.344 176.846 177.300 -0.183 0.000 1.223 129 P CA 0.003 62.967 63.100 -0.226 0.000 0.784 129 P CB 1.146 32.849 31.700 0.004 0.000 0.923 130 A N 1.344 124.118 122.820 -0.077 0.000 2.208 130 A HA 0.222 4.542 4.320 0.000 0.000 0.209 130 A C 0.639 178.205 177.584 -0.030 0.000 1.161 130 A CA 1.050 53.056 52.037 -0.052 0.000 0.782 130 A CB -0.560 18.439 19.000 -0.002 0.000 0.816 130 A HN 0.620 nan 8.150 nan 0.000 0.477 131 S N -3.984 111.703 115.700 -0.021 0.000 2.565 131 S HA 0.619 5.089 4.470 0.000 0.000 0.269 131 S C 0.646 175.222 174.600 -0.041 0.000 1.153 131 S CA -0.052 58.135 58.200 -0.023 0.000 0.835 131 S CB 1.068 64.268 63.200 0.001 0.000 1.122 131 S HN 0.930 nan 8.310 nan 0.000 0.462 132 A N 1.437 124.224 122.820 -0.054 0.000 1.902 132 A HA 0.248 4.568 4.320 0.000 0.000 0.217 132 A C 2.258 179.809 177.584 -0.055 0.000 1.181 132 A CA 2.025 54.008 52.037 -0.090 0.000 0.623 132 A CB -1.549 17.407 19.000 -0.072 0.000 0.818 132 A HN 1.713 nan 8.150 nan 0.000 0.443 133 A N -0.719 122.095 122.820 -0.010 0.000 2.121 133 A HA -0.107 4.213 4.320 0.000 0.000 0.218 133 A C 1.899 179.505 177.584 0.037 0.000 1.154 133 A CA 1.502 53.549 52.037 0.016 0.000 0.679 133 A CB -0.434 18.579 19.000 0.020 0.000 0.795 133 A HN 0.676 nan 8.150 nan 0.000 0.458 134 E N -0.054 120.175 120.200 0.048 0.000 2.358 134 E HA -0.050 4.301 4.350 0.000 0.000 0.195 134 E C 1.526 178.202 176.600 0.127 0.000 1.010 134 E CA 0.682 57.152 56.400 0.117 0.000 0.856 134 E CB -0.060 29.731 29.700 0.152 0.000 0.795 134 E HN 0.363 nan 8.360 nan 0.000 0.504 135 V N 1.644 121.576 119.914 0.029 0.000 2.287 135 V HA -0.201 3.919 4.120 0.000 0.000 0.248 135 V C -0.789 175.351 176.094 0.075 0.000 1.053 135 V CA 2.100 64.392 62.300 -0.013 0.000 1.027 135 V CB -1.280 30.400 31.823 -0.239 0.000 0.646 135 V HN 0.301 nan 8.190 nan 0.000 0.447 136 P HA -0.194 nan 4.420 nan 0.000 0.215 136 P C 1.709 179.111 177.300 0.170 0.000 1.153 136 P CA 1.632 64.826 63.100 0.157 0.000 0.853 136 P CB -0.220 31.579 31.700 0.165 0.000 0.788 137 H N -0.209 118.903 119.070 0.069 0.000 2.353 137 H HA -0.084 4.472 4.556 0.000 0.000 0.300 137 H C 1.741 177.114 175.328 0.076 0.000 1.090 137 H CA 1.536 57.615 56.048 0.053 0.000 1.327 137 H CB -0.185 29.596 29.762 0.033 0.000 1.383 137 H HN -0.021 nan 8.280 nan 0.000 0.508 138 A N 0.996 123.845 122.820 0.049 0.000 1.933 138 A HA -0.190 4.130 4.320 0.000 0.000 0.218 138 A C 2.435 180.103 177.584 0.140 0.000 1.175 138 A CA 1.673 53.778 52.037 0.112 0.000 0.628 138 A CB -0.655 18.552 19.000 0.344 0.000 0.814 138 A HN 0.490 nan 8.150 nan 0.000 0.444 139 M N -0.171 119.509 119.600 0.133 0.000 2.117 139 M HA -0.088 4.392 4.480 0.000 0.000 0.262 139 M C 2.288 178.628 176.300 0.066 0.000 1.065 139 M CA 2.041 57.429 55.300 0.147 0.000 1.114 139 M CB -0.560 32.143 32.600 0.173 0.000 1.361 139 M HN 0.399 nan 8.290 nan 0.000 0.408 140 S N -0.167 115.548 115.700 0.026 0.000 2.359 140 S HA -0.196 4.274 4.470 0.000 0.000 0.224 140 S C 2.050 176.596 174.600 -0.090 0.000 1.035 140 S CA 1.738 59.930 58.200 -0.013 0.000 1.018 140 S CB -0.209 63.035 63.200 0.074 0.000 0.876 140 S HN 0.616 nan 8.310 nan 0.000 0.448 141 R N 0.712 121.072 120.500 -0.235 0.000 2.091 141 R HA -0.054 4.286 4.340 0.000 0.000 0.238 141 R C 2.675 178.727 176.300 -0.413 0.000 1.136 141 R CA 1.411 57.228 56.100 -0.471 0.000 0.959 141 R CB -0.670 29.074 30.300 -0.927 0.000 0.856 141 R HN 0.516 nan 8.270 nan 0.000 0.437 142 A N 1.271 124.021 122.820 -0.116 0.000 1.877 142 A HA -0.164 4.156 4.320 0.000 0.000 0.216 142 A C 2.181 179.787 177.584 0.036 0.000 1.186 142 A CA 1.341 53.458 52.037 0.133 0.000 0.620 142 A CB -0.547 18.635 19.000 0.303 0.000 0.822 142 A HN 0.189 nan 8.150 nan 0.000 0.443 143 I N -0.946 119.594 120.570 -0.049 0.000 2.127 143 I HA -0.306 3.864 4.170 0.000 0.000 0.241 143 I C 2.525 178.525 176.117 -0.194 0.000 1.075 143 I CA 1.604 62.822 61.300 -0.137 0.000 1.334 143 I CB -0.560 37.269 38.000 -0.284 0.000 1.040 143 I HN 0.416 nan 8.210 nan 0.000 0.405 144 H N -0.202 118.848 119.070 -0.033 0.000 2.363 144 H HA -0.052 4.505 4.556 0.000 0.000 0.301 144 H C 2.363 177.649 175.328 -0.070 0.000 1.074 144 H CA 1.179 57.193 56.048 -0.056 0.000 1.354 144 H CB -0.212 29.494 29.762 -0.092 0.000 1.397 144 H HN 0.253 nan 8.280 nan 0.000 0.516 145 M N 0.541 120.126 119.600 -0.025 0.000 2.108 145 M HA -0.082 4.398 4.480 0.000 0.000 0.261 145 M C 2.564 178.894 176.300 0.049 0.000 1.066 145 M CA 1.119 56.401 55.300 -0.031 0.000 1.107 145 M CB -1.061 31.480 32.600 -0.099 0.000 1.356 145 M HN 0.226 nan 8.290 nan 0.000 0.406 146 A N -0.813 122.051 122.820 0.072 0.000 1.930 146 A HA -0.077 4.243 4.320 0.000 0.000 0.217 146 A C 2.413 180.033 177.584 0.061 0.000 1.175 146 A CA 1.980 54.070 52.037 0.089 0.000 0.627 146 A CB -0.554 18.509 19.000 0.105 0.000 0.815 146 A HN 0.504 nan 8.150 nan 0.000 0.443 147 S N -0.856 114.877 115.700 0.054 0.000 2.486 147 S HA 0.241 4.711 4.470 0.000 0.000 0.220 147 S C 0.810 175.434 174.600 0.041 0.000 1.011 147 S CA -0.026 58.207 58.200 0.055 0.000 0.921 147 S CB -0.156 63.090 63.200 0.076 0.000 0.785 147 S HN 0.525 nan 8.310 nan 0.000 0.517 148 M N 1.870 121.489 119.600 0.033 0.000 2.243 148 M HA 0.313 4.793 4.480 0.000 0.000 0.341 148 M C 0.347 176.626 176.300 -0.036 0.000 1.130 148 M CA -0.412 54.889 55.300 0.003 0.000 1.162 148 M CB 0.473 33.069 32.600 -0.006 0.000 1.497 148 M HN 0.155 nan 8.290 nan 0.000 0.456 149 A N 4.647 127.433 122.820 -0.057 0.000 2.498 149 A HA 0.375 4.695 4.320 0.000 0.000 0.239 149 A C -2.235 175.275 177.584 -0.124 0.000 1.068 149 A CA -1.073 50.898 52.037 -0.111 0.000 0.766 149 A CB -0.771 18.168 19.000 -0.101 0.000 1.003 149 A HN 0.511 nan 8.150 nan 0.000 0.497 150 P HA 0.150 nan 4.420 nan 0.000 0.282 150 P C -0.547 176.589 177.300 -0.273 0.000 1.262 150 P CA -0.109 62.763 63.100 -0.380 0.000 0.773 150 P CB 0.614 31.988 31.700 -0.544 0.000 0.879 151 Q N 1.120 120.793 119.800 -0.212 0.000 2.474 151 Q HA 0.501 4.841 4.340 0.000 0.000 0.256 151 Q C 0.712 176.696 176.000 -0.027 0.000 1.048 151 Q CA 0.398 56.162 55.803 -0.064 0.000 0.922 151 Q CB 0.406 29.138 28.738 -0.009 0.000 1.288 151 Q HN 0.748 nan 8.270 nan 0.000 0.484 152 G N 0.763 109.579 108.800 0.026 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 -3.099 171.881 174.900 0.133 0.000 1.380 152 G CA -0.901 44.228 45.100 0.049 0.000 0.811 152 G HN 0.373 nan 8.290 nan 0.000 0.519 153 P HA 0.494 nan 4.420 nan 0.000 0.278 153 P C -0.077 177.376 177.300 0.256 0.000 1.238 153 P CA -0.260 62.965 63.100 0.207 0.000 0.794 153 P CB 1.697 33.522 31.700 0.208 0.000 0.955 154 V N 0.170 120.228 119.914 0.240 0.000 3.130 154 V HA 0.683 4.803 4.120 0.000 0.000 0.310 154 V C -1.695 174.569 176.094 0.283 0.000 1.158 154 V CA -1.053 61.426 62.300 0.298 0.000 1.029 154 V CB 2.248 34.289 31.823 0.364 0.000 1.057 154 V HN 0.501 nan 8.190 nan 0.000 0.436 155 Y N 2.400 122.747 120.300 0.079 0.000 2.421 155 Y HA 0.837 5.387 4.550 0.000 0.000 0.339 155 Y C -1.431 174.432 175.900 -0.062 0.000 0.996 155 Y CA -1.185 56.908 58.100 -0.011 0.000 1.046 155 Y CB 2.101 40.530 38.460 -0.051 0.000 1.226 155 Y HN 0.932 nan 8.280 nan 0.000 0.445 156 L N 5.180 126.118 121.223 -0.475 0.000 2.439 156 L HA 0.601 4.941 4.340 0.000 0.000 0.270 156 L C -1.184 175.343 176.870 -0.573 0.000 0.972 156 L CA -0.214 54.403 54.840 -0.373 0.000 0.836 156 L CB 1.982 43.994 42.059 -0.078 0.000 1.255 156 L HN 0.569 nan 8.230 nan 0.000 0.404 157 S N 4.242 119.656 115.700 -0.477 0.000 2.442 157 S HA 0.808 5.278 4.470 0.000 0.000 0.297 157 S C -0.974 173.503 174.600 -0.204 0.000 1.131 157 S CA -0.437 57.554 58.200 -0.347 0.000 1.092 157 S CB 0.771 63.828 63.200 -0.239 0.000 0.998 157 S HN 0.461 nan 8.310 nan 0.000 0.478 158 V N 7.777 127.615 119.914 -0.126 0.000 2.443 158 V HA 0.423 4.543 4.120 0.000 0.000 0.293 158 V C -2.420 173.648 176.094 -0.044 0.000 1.021 158 V CA -2.069 60.154 62.300 -0.128 0.000 0.848 158 V CB 1.510 33.240 31.823 -0.154 0.000 0.998 158 V HN 0.717 nan 8.190 nan 0.000 0.424 159 P HA -0.001 nan 4.420 nan 0.000 0.265 159 P C 0.509 177.868 177.300 0.097 0.000 1.193 159 P CA 0.248 63.360 63.100 0.020 0.000 0.765 159 P CB 0.396 32.082 31.700 -0.023 0.000 0.823 160 Y N 4.525 124.896 120.300 0.118 0.000 2.096 160 Y HA -0.350 4.200 4.550 0.000 0.000 0.278 160 Y C 1.772 177.813 175.900 0.234 0.000 1.192 160 Y CA 2.373 60.620 58.100 0.246 0.000 1.143 160 Y CB -0.304 38.264 38.460 0.179 0.000 0.963 160 Y HN 0.406 nan 8.280 nan 0.000 0.505 161 D N -1.399 119.190 120.400 0.316 0.000 2.363 161 D HA -0.120 4.520 4.640 0.000 0.000 0.220 161 D C 1.101 177.424 176.300 0.039 0.000 0.994 161 D CA 0.921 55.046 54.000 0.208 0.000 0.890 161 D CB -0.515 40.425 40.800 0.233 0.000 0.906 161 D HN 0.412 nan 8.370 nan 0.000 0.530 162 D N 0.476 120.805 120.400 -0.118 0.000 2.183 162 D HA -0.089 4.551 4.640 0.000 0.000 0.203 162 D C 1.615 177.803 176.300 -0.187 0.000 0.969 162 D CA 0.621 54.475 54.000 -0.243 0.000 0.842 162 D CB -0.521 40.000 40.800 -0.464 0.000 0.957 162 D HN 0.421 nan 8.370 nan 0.000 0.484 163 W N 1.360 122.701 121.300 0.069 0.000 2.363 163 W HA -0.084 4.576 4.660 0.000 0.000 0.296 163 W C 1.691 178.276 176.519 0.110 0.000 1.212 163 W CA 0.413 57.837 57.345 0.131 0.000 1.260 163 W CB -0.062 29.509 29.460 0.185 0.000 1.131 163 W HN -0.114 nan 8.180 nan 0.000 0.530 164 D N -0.099 120.444 120.400 0.238 0.000 2.355 164 D HA -0.031 4.609 4.640 0.000 0.000 0.218 164 D C 0.878 177.241 176.300 0.106 0.000 1.004 164 D CA 0.756 54.841 54.000 0.142 0.000 0.880 164 D CB -0.141 40.710 40.800 0.085 0.000 0.911 164 D HN -0.045 nan 8.370 nan 0.000 0.528 165 K N 1.445 121.899 120.400 0.090 0.000 2.180 165 K HA 0.094 4.414 4.320 0.000 0.000 0.251 165 K C 0.045 176.690 176.600 0.075 0.000 1.014 165 K CA -0.372 55.953 56.287 0.062 0.000 0.913 165 K CB 0.434 32.953 32.500 0.031 0.000 1.008 165 K HN -0.089 nan 8.250 nan 0.000 0.490 166 D N 0.660 121.096 120.400 0.060 0.000 2.425 166 D HA 0.141 4.781 4.640 0.000 0.000 0.247 166 D C 0.081 176.420 176.300 0.066 0.000 1.147 166 D CA 0.181 54.220 54.000 0.065 0.000 0.879 166 D CB 0.646 41.476 40.800 0.050 0.000 1.179 166 D HN 0.453 nan 8.370 nan 0.000 0.456 167 A N 2.039 124.911 122.820 0.086 0.000 2.332 167 A HA 0.192 4.512 4.320 0.000 0.000 0.258 167 A C 0.244 177.868 177.584 0.066 0.000 1.087 167 A CA -0.527 51.561 52.037 0.085 0.000 0.802 167 A CB 0.431 19.505 19.000 0.123 0.000 1.042 167 A HN 0.479 nan 8.150 nan 0.000 0.489 168 D N 0.831 121.262 120.400 0.053 0.000 2.343 168 D HA 0.269 4.909 4.640 0.000 0.000 0.255 168 D C -1.650 174.678 176.300 0.046 0.000 1.187 168 D CA -1.737 52.286 54.000 0.038 0.000 0.875 168 D CB 1.063 41.874 40.800 0.017 0.000 1.136 168 D HN 0.088 nan 8.370 nan 0.000 0.469 169 P HA -0.126 nan 4.420 nan 0.000 0.219 169 P C 0.994 178.365 177.300 0.118 0.000 1.146 169 P CA 0.861 64.013 63.100 0.088 0.000 0.808 169 P CB 0.268 32.016 31.700 0.081 0.000 0.779 170 Q N -0.952 118.881 119.800 0.056 0.000 2.488 170 Q HA 0.031 4.371 4.340 0.000 0.000 0.211 170 Q C 1.805 177.723 176.000 -0.136 0.000 0.967 170 Q CA 0.729 56.531 55.803 -0.002 0.000 0.926 170 Q CB -0.670 28.083 28.738 0.026 0.000 0.992 170 Q HN 0.267 nan 8.270 nan 0.000 0.506 171 S N 0.579 116.208 115.700 -0.120 0.000 2.500 171 S HA -0.123 4.347 4.470 0.000 0.000 0.239 171 S C 1.569 175.848 174.600 -0.537 0.000 0.989 171 S CA 0.702 58.782 58.200 -0.200 0.000 0.951 171 S CB -0.350 62.806 63.200 -0.072 0.000 0.759 171 S HN 0.602 nan 8.310 nan 0.000 0.523 172 H N 0.438 119.155 119.070 -0.589 0.000 2.456 172 H HA -0.058 4.498 4.556 0.000 0.000 0.296 172 H C 1.327 176.225 175.328 -0.716 0.000 1.079 172 H CA 1.341 56.781 56.048 -1.014 0.000 1.322 172 H CB -0.645 28.827 29.762 -0.484 0.000 1.388 172 H HN 0.520 nan 8.280 nan 0.000 0.538 173 H N 0.898 119.478 119.070 -0.817 0.000 2.521 173 H HA 0.013 4.570 4.556 0.000 0.000 0.286 173 H C 2.370 177.548 175.328 -0.250 0.000 1.034 173 H CA 0.865 56.634 56.048 -0.465 0.000 1.278 173 H CB 0.348 29.858 29.762 -0.420 0.000 1.386 173 H HN 0.403 nan 8.280 nan 0.000 0.567 174 L N -0.472 120.644 121.223 -0.178 0.000 2.217 174 L HA -0.108 4.232 4.340 0.000 0.000 0.211 174 L C 2.105 179.038 176.870 0.107 0.000 1.107 174 L CA 0.310 55.140 54.840 -0.015 0.000 0.783 174 L CB -0.400 41.671 42.059 0.021 0.000 0.919 174 L HN 0.063 nan 8.230 nan 0.000 0.442 175 F N 0.558 120.543 119.950 0.058 0.000 2.095 175 F HA -0.219 4.308 4.527 0.000 0.000 0.298 175 F C 1.828 177.630 175.800 0.003 0.000 1.104 175 F CA 1.085 59.112 58.000 0.046 0.000 1.232 175 F CB -0.595 38.440 39.000 0.058 0.000 0.987 175 F HN 0.126 nan 8.300 nan 0.000 0.475 176 D N -0.419 120.076 120.400 0.159 0.000 2.424 176 D HA 0.074 4.714 4.640 0.000 0.000 0.220 176 D C 0.290 176.395 176.300 -0.326 0.000 1.150 176 D CA -0.056 53.910 54.000 -0.057 0.000 0.831 176 D CB -0.035 40.782 40.800 0.028 0.000 0.981 176 D HN 0.106 nan 8.370 nan 0.000 0.500 177 R N 0.566 120.985 120.500 -0.135 0.000 2.538 177 R HA 0.140 4.480 4.340 0.000 0.000 0.282 177 R C -0.305 175.817 176.300 -0.296 0.000 1.009 177 R CA 0.317 56.314 56.100 -0.172 0.000 1.063 177 R CB 0.183 30.445 30.300 -0.063 0.000 0.945 177 R HN 0.159 nan 8.270 nan 0.000 0.414 178 H N 0.443 119.520 119.070 0.012 0.000 2.511 178 H HA 0.323 4.879 4.556 0.000 0.000 0.328 178 H C -0.751 174.532 175.328 -0.074 0.000 1.044 178 H CA -0.731 55.322 56.048 0.010 0.000 1.212 178 H CB 1.622 31.397 29.762 0.021 0.000 1.428 178 H HN 0.166 nan 8.280 nan 0.000 0.483 179 V N 2.677 122.593 119.914 0.004 0.000 2.444 179 V HA 0.348 4.468 4.120 0.000 0.000 0.294 179 V C -0.170 175.928 176.094 0.007 0.000 1.022 179 V CA -0.592 61.658 62.300 -0.082 0.000 0.850 179 V CB 1.632 33.291 31.823 -0.274 0.000 0.992 179 V HN 0.773 nan 8.190 nan 0.000 0.426 180 S N 2.787 118.485 115.700 -0.003 0.000 2.472 180 S HA 0.571 5.041 4.470 0.000 0.000 0.303 180 S C 0.508 175.101 174.600 -0.011 0.000 1.099 180 S CA -0.034 58.169 58.200 0.004 0.000 1.077 180 S CB 1.633 64.834 63.200 0.002 0.000 1.031 180 S HN 0.927 nan 8.310 nan 0.000 0.487 181 S N 2.313 118.007 115.700 -0.009 0.000 2.741 181 S HA 0.204 4.674 4.470 0.000 0.000 0.247 181 S C 0.226 174.814 174.600 -0.020 0.000 1.050 181 S CA -0.447 57.741 58.200 -0.020 0.000 1.025 181 S CB 0.341 63.524 63.200 -0.028 0.000 0.897 181 S HN 0.497 nan 8.310 nan 0.000 0.508 182 S N 2.782 118.474 115.700 -0.013 0.000 4.139 182 S HA 0.426 4.896 4.470 0.000 0.000 0.215 182 S C 0.208 174.799 174.600 -0.015 0.000 1.390 182 S CA -0.398 57.794 58.200 -0.013 0.000 0.885 182 S CB -1.146 62.050 63.200 -0.007 0.000 1.560 182 S HN 0.622 nan 8.310 nan 0.000 0.449 183 V N 2.584 122.487 119.914 -0.018 0.000 2.919 183 V HA 0.985 5.105 4.120 0.000 0.000 0.316 183 V C -0.676 175.407 176.094 -0.018 0.000 1.077 183 V CA -1.370 60.919 62.300 -0.018 0.000 0.977 183 V CB 1.870 33.680 31.823 -0.021 0.000 1.039 183 V HN 0.704 nan 8.190 nan 0.000 0.441 184 R N 2.241 122.732 120.500 -0.016 0.000 2.799 184 R HA 0.759 5.099 4.340 0.000 0.000 0.270 184 R C -1.039 175.253 176.300 -0.014 0.000 1.010 184 R CA -1.014 55.077 56.100 -0.014 0.000 0.916 184 R CB 0.787 31.080 30.300 -0.011 0.000 1.228 184 R HN 0.794 nan 8.270 nan 0.000 0.469 185 L N 2.303 123.518 121.223 -0.013 0.000 2.559 185 L HA 0.115 4.455 4.340 0.000 0.000 0.282 185 L C -0.335 176.529 176.870 -0.010 0.000 1.232 185 L CA 0.598 55.430 54.840 -0.012 0.000 0.885 185 L CB -0.217 41.835 42.059 -0.012 0.000 1.131 185 L HN 0.926 nan 8.230 nan 0.000 0.498 186 N N 2.075 120.769 118.700 -0.010 0.000 2.329 186 N HA -0.098 4.642 4.740 0.000 0.000 0.237 186 N C 0.428 175.934 175.510 -0.007 0.000 1.258 186 N CA 0.306 53.350 53.050 -0.009 0.000 0.866 186 N CB 0.260 38.741 38.487 -0.009 0.000 1.102 186 N HN 0.604 nan 8.380 nan 0.000 0.440 187 D N -0.071 120.326 120.400 -0.006 0.000 2.123 187 D HA -0.225 4.415 4.640 0.000 0.000 0.196 187 D C 1.551 177.848 176.300 -0.004 0.000 0.992 187 D CA 1.357 55.354 54.000 -0.005 0.000 0.833 187 D CB -0.306 40.492 40.800 -0.004 0.000 0.954 187 D HN 0.811 nan 8.370 nan 0.000 0.455 188 Q N 0.203 120.001 119.800 -0.005 0.000 2.084 188 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 188 Q C 1.144 177.142 176.000 -0.004 0.000 0.978 188 Q CA 1.440 57.241 55.803 -0.004 0.000 0.844 188 Q CB 0.208 28.943 28.738 -0.004 0.000 0.898 188 Q HN 0.135 nan 8.270 nan 0.000 0.426 189 D N 0.077 120.474 120.400 -0.005 0.000 2.234 189 D HA -0.097 4.543 4.640 0.000 0.000 0.205 189 D C 1.804 178.101 176.300 -0.005 0.000 0.962 189 D CA 0.335 54.332 54.000 -0.006 0.000 0.855 189 D CB 0.023 40.818 40.800 -0.008 0.000 0.951 189 D HN 0.220 nan 8.370 nan 0.000 0.500 190 L N 1.268 122.488 121.223 -0.005 0.000 2.093 190 L HA -0.118 4.222 4.340 0.000 0.000 0.208 190 L C 1.311 178.180 176.870 -0.002 0.000 1.085 190 L CA 1.749 56.587 54.840 -0.004 0.000 0.755 190 L CB -0.349 41.708 42.059 -0.004 0.000 0.904 190 L HN -0.194 nan 8.230 nan 0.000 0.435 191 D N -0.405 119.994 120.400 -0.002 0.000 2.178 191 D HA -0.149 4.491 4.640 0.000 0.000 0.202 191 D C 2.335 178.635 176.300 0.000 0.000 0.974 191 D CA 1.526 55.526 54.000 -0.000 0.000 0.841 191 D CB -0.046 40.754 40.800 -0.000 0.000 0.953 191 D HN 0.428 nan 8.370 nan 0.000 0.478 192 I N 0.392 120.962 120.570 -0.001 0.000 2.252 192 I HA -0.230 3.940 4.170 0.000 0.000 0.245 192 I C 2.307 178.425 176.117 0.000 0.000 1.102 192 I CA 0.444 61.743 61.300 -0.000 0.000 1.385 192 I CB -0.089 37.910 38.000 -0.002 0.000 1.064 192 I HN 0.010 nan 8.210 nan 0.000 0.414 193 L N 0.540 121.762 121.223 -0.001 0.000 2.017 193 L HA -0.156 4.184 4.340 0.000 0.000 0.208 193 L C 2.403 179.275 176.870 0.003 0.000 1.073 193 L CA 1.823 56.663 54.840 0.000 0.000 0.745 193 L CB -0.564 41.494 42.059 -0.002 0.000 0.894 193 L HN -0.026 nan 8.230 nan 0.000 0.432 194 V N -0.195 119.721 119.914 0.004 0.000 2.332 194 V HA -0.320 3.800 4.120 0.000 0.000 0.248 194 V C 2.624 178.722 176.094 0.007 0.000 1.055 194 V CA 2.146 64.449 62.300 0.006 0.000 1.038 194 V CB -0.687 31.139 31.823 0.005 0.000 0.651 194 V HN 0.473 nan 8.190 nan 0.000 0.450 195 K N 0.022 120.425 120.400 0.006 0.000 2.097 195 K HA -0.089 4.231 4.320 0.000 0.000 0.205 195 K C 2.293 178.899 176.600 0.009 0.000 1.050 195 K CA 1.363 57.654 56.287 0.007 0.000 0.938 195 K CB -0.381 32.122 32.500 0.005 0.000 0.718 195 K HN 0.481 nan 8.250 nan 0.000 0.442 196 A N 1.313 124.138 122.820 0.008 0.000 1.933 196 A HA -0.121 4.200 4.320 0.000 0.000 0.218 196 A C 2.080 179.673 177.584 0.014 0.000 1.175 196 A CA 1.198 53.241 52.037 0.010 0.000 0.628 196 A CB -0.560 18.444 19.000 0.008 0.000 0.814 196 A HN 0.143 nan 8.150 nan 0.000 0.444 197 L N -0.434 120.797 121.223 0.014 0.000 2.056 197 L HA -0.175 4.165 4.340 0.000 0.000 0.207 197 L C 2.196 179.078 176.870 0.020 0.000 1.078 197 L CA 1.206 56.057 54.840 0.018 0.000 0.749 197 L CB -0.688 41.380 42.059 0.016 0.000 0.901 197 L HN 0.319 nan 8.230 nan 0.000 0.433 198 N N -0.097 118.613 118.700 0.017 0.000 2.223 198 N HA -0.137 4.604 4.740 0.000 0.000 0.185 198 N C 1.984 177.505 175.510 0.018 0.000 1.016 198 N CA 1.632 54.692 53.050 0.017 0.000 0.863 198 N CB -0.197 38.298 38.487 0.013 0.000 0.983 198 N HN 0.375 nan 8.380 nan 0.000 0.429 199 S N -0.776 114.935 115.700 0.017 0.000 2.528 199 S HA 0.325 4.795 4.470 0.000 0.000 0.219 199 S C 0.917 175.529 174.600 0.021 0.000 0.985 199 S CA -0.288 57.922 58.200 0.016 0.000 0.914 199 S CB -0.008 63.200 63.200 0.013 0.000 0.776 199 S HN 0.297 nan 8.310 nan 0.000 0.526 200 A N 2.235 125.071 122.820 0.026 0.000 2.498 200 A HA 0.488 4.808 4.320 0.000 0.000 0.239 200 A C 1.380 178.987 177.584 0.037 0.000 1.068 200 A CA 0.133 52.191 52.037 0.035 0.000 0.766 200 A CB 0.200 19.227 19.000 0.044 0.000 1.003 200 A HN 0.574 nan 8.150 nan 0.000 0.497 201 S N 0.874 116.597 115.700 0.038 0.000 2.478 201 S HA 0.047 4.517 4.470 0.000 0.000 0.222 201 S C 0.607 175.236 174.600 0.048 0.000 1.008 201 S CA 0.757 58.977 58.200 0.033 0.000 0.928 201 S CB -0.082 63.131 63.200 0.020 0.000 0.781 201 S HN 0.769 nan 8.310 nan 0.000 0.518 202 N N 1.926 120.671 118.700 0.076 0.000 2.700 202 N HA 0.360 5.100 4.740 0.000 0.000 0.242 202 N C -3.270 172.397 175.510 0.262 0.000 1.541 202 N CA -1.547 51.581 53.050 0.132 0.000 0.764 202 N CB 1.375 39.891 38.487 0.048 0.000 1.319 202 N HN 0.147 nan 8.380 nan 0.000 0.518 203 P HA 0.358 nan 4.420 nan 0.000 0.274 203 P C -0.978 176.373 177.300 0.086 0.000 1.237 203 P CA -0.335 62.843 63.100 0.130 0.000 0.793 203 P CB 1.515 33.255 31.700 0.067 0.000 0.977 204 A N 2.371 125.159 122.820 -0.052 0.000 2.454 204 A HA 0.770 5.090 4.320 0.000 0.000 0.302 204 A C -0.701 176.859 177.584 -0.040 0.000 1.079 204 A CA -0.853 51.090 52.037 -0.156 0.000 0.731 204 A CB 1.070 19.808 19.000 -0.438 0.000 1.299 204 A HN 0.447 nan 8.150 nan 0.000 0.413 205 I N 1.082 121.641 120.570 -0.018 0.000 2.509 205 I HA 0.527 4.697 4.170 0.000 0.000 0.293 205 I C -0.972 175.159 176.117 0.024 0.000 1.020 205 I CA -0.972 60.315 61.300 -0.021 0.000 1.088 205 I CB 2.215 40.166 38.000 -0.082 0.000 1.267 205 I HN 0.314 nan 8.210 nan 0.000 0.430 206 V N 6.801 126.733 119.914 0.031 0.000 2.531 206 V HA 0.505 4.625 4.120 0.000 0.000 0.301 206 V C -0.314 175.798 176.094 0.030 0.000 1.034 206 V CA -0.528 61.799 62.300 0.045 0.000 0.865 206 V CB 1.966 33.834 31.823 0.076 0.000 0.995 206 V HN 0.458 nan 8.190 nan 0.000 0.424 207 L N 3.828 125.058 121.223 0.010 0.000 2.346 207 L HA 0.905 5.245 4.340 0.000 0.000 0.274 207 L C 0.653 177.551 176.870 0.047 0.000 1.007 207 L CA -0.288 54.572 54.840 0.033 0.000 0.818 207 L CB 2.069 44.154 42.059 0.043 0.000 1.284 207 L HN 0.773 nan 8.230 nan 0.000 0.424 208 G N 0.949 109.786 108.800 0.062 0.000 3.075 208 G HA2 0.533 4.493 3.960 0.000 0.000 0.253 208 G HA3 0.533 4.493 3.960 0.000 0.000 0.253 208 G C -2.240 172.713 174.900 0.089 0.000 1.353 208 G CA -0.794 44.347 45.100 0.068 0.000 1.051 208 G HN 0.399 nan 8.290 nan 0.000 0.553 209 P HA 0.006 nan 4.420 nan 0.000 0.222 209 P C 0.521 177.886 177.300 0.108 0.000 1.153 209 P CA 0.850 64.017 63.100 0.112 0.000 0.798 209 P CB 0.336 32.100 31.700 0.107 0.000 0.796 210 D N -0.235 120.229 120.400 0.107 0.000 2.310 210 D HA -0.062 4.578 4.640 0.000 0.000 0.212 210 D C 2.011 178.353 176.300 0.070 0.000 0.965 210 D CA 0.578 54.637 54.000 0.098 0.000 0.879 210 D CB -0.275 40.582 40.800 0.095 0.000 0.921 210 D HN 0.049 nan 8.370 nan 0.000 0.510 211 V N 1.159 121.117 119.914 0.072 0.000 2.261 211 V HA -0.246 3.874 4.120 0.000 0.000 0.246 211 V C 2.214 178.348 176.094 0.067 0.000 1.047 211 V CA 1.891 64.231 62.300 0.067 0.000 1.015 211 V CB -0.377 31.496 31.823 0.083 0.000 0.642 211 V HN 0.071 nan 8.190 nan 0.000 0.446 212 D N -0.010 120.437 120.400 0.078 0.000 2.144 212 D HA -0.128 4.512 4.640 0.000 0.000 0.199 212 D C 2.110 178.453 176.300 0.072 0.000 0.984 212 D CA 1.408 55.448 54.000 0.067 0.000 0.834 212 D CB -0.163 40.673 40.800 0.060 0.000 0.955 212 D HN 0.365 nan 8.370 nan 0.000 0.465 213 A N 0.354 123.226 122.820 0.086 0.000 1.940 213 A HA -0.017 4.303 4.320 0.000 0.000 0.219 213 A C 2.252 179.870 177.584 0.056 0.000 1.176 213 A CA 2.046 54.135 52.037 0.085 0.000 0.631 213 A CB -0.867 18.190 19.000 0.094 0.000 0.814 213 A HN 0.306 nan 8.150 nan 0.000 0.446 214 A N -1.379 121.467 122.820 0.044 0.000 2.238 214 A HA 0.179 4.499 4.320 0.000 0.000 0.208 214 A C 1.015 178.613 177.584 0.024 0.000 1.177 214 A CA 0.896 52.950 52.037 0.028 0.000 0.804 214 A CB -0.530 18.483 19.000 0.021 0.000 0.823 214 A HN 0.674 nan 8.150 nan 0.000 0.482 215 N N -2.234 116.484 118.700 0.029 0.000 2.721 215 N HA -0.228 4.512 4.740 0.000 0.000 0.249 215 N C 0.501 176.019 175.510 0.013 0.000 1.072 215 N CA 0.993 54.054 53.050 0.018 0.000 0.710 215 N CB -1.407 37.087 38.487 0.011 0.000 0.993 215 N HN 0.582 nan 8.380 nan 0.000 0.547 216 A N -0.858 121.975 122.820 0.023 0.000 2.307 216 A HA 0.157 4.477 4.320 0.000 0.000 0.218 216 A C 1.688 179.289 177.584 0.027 0.000 1.228 216 A CA 0.551 52.602 52.037 0.023 0.000 0.857 216 A CB -0.065 18.952 19.000 0.029 0.000 0.897 216 A HN 0.502 nan 8.150 nan 0.000 0.495 217 N N 1.716 120.427 118.700 0.019 0.000 2.069 217 N HA -0.164 4.576 4.740 0.000 0.000 0.191 217 N C 1.799 177.280 175.510 -0.049 0.000 1.031 217 N CA 1.884 54.938 53.050 0.006 0.000 0.852 217 N CB -0.480 37.989 38.487 -0.029 0.000 1.018 217 N HN 0.443 nan 8.380 nan 0.000 0.423 218 A N 0.937 123.720 122.820 -0.061 0.000 1.933 218 A HA -0.143 4.177 4.320 0.000 0.000 0.218 218 A C 1.646 179.204 177.584 -0.044 0.000 1.175 218 A CA 1.579 53.568 52.037 -0.079 0.000 0.628 218 A CB -0.452 18.513 19.000 -0.059 0.000 0.814 218 A HN 0.143 nan 8.150 nan 0.000 0.444 219 D N -0.364 120.029 120.400 -0.011 0.000 2.117 219 D HA -0.122 4.518 4.640 0.000 0.000 0.197 219 D C 2.004 178.323 176.300 0.031 0.000 0.987 219 D CA 1.413 55.417 54.000 0.008 0.000 0.829 219 D CB -0.549 40.258 40.800 0.012 0.000 0.961 219 D HN 0.453 nan 8.370 nan 0.000 0.460 220 C N 0.347 119.683 119.300 0.060 0.000 2.440 220 C HA -0.051 4.410 4.460 0.000 0.000 0.278 220 C C 2.942 178.057 174.990 0.209 0.000 1.295 220 C CA 0.010 59.108 59.018 0.134 0.000 1.738 220 C CB -0.761 27.097 27.740 0.197 0.000 1.987 220 C HN 0.163 nan 8.230 nan 0.000 0.492 221 V N 0.988 120.944 119.914 0.070 0.000 2.287 221 V HA -0.346 3.774 4.120 0.000 0.000 0.248 221 V C 2.452 178.544 176.094 -0.004 0.000 1.053 221 V CA 2.488 64.715 62.300 -0.122 0.000 1.027 221 V CB -0.690 30.885 31.823 -0.412 0.000 0.646 221 V HN 0.624 nan 8.190 nan 0.000 0.447 222 M N -0.605 118.998 119.600 0.006 0.000 2.117 222 M HA -0.201 4.279 4.480 0.000 0.000 0.262 222 M C 2.123 178.451 176.300 0.047 0.000 1.065 222 M CA 2.036 57.353 55.300 0.029 0.000 1.114 222 M CB -0.217 32.392 32.600 0.016 0.000 1.361 222 M HN 0.368 nan 8.290 nan 0.000 0.408 223 L N 0.916 122.170 121.223 0.051 0.000 2.012 223 L HA -0.114 4.226 4.340 0.000 0.000 0.210 223 L C 2.473 179.377 176.870 0.056 0.000 1.073 223 L CA 2.366 57.235 54.840 0.048 0.000 0.748 223 L CB -1.059 41.026 42.059 0.044 0.000 0.891 223 L HN 0.356 nan 8.230 nan 0.000 0.431 224 A N -0.920 121.948 122.820 0.081 0.000 1.902 224 A HA -0.218 4.102 4.320 0.000 0.000 0.217 224 A C 2.165 179.810 177.584 0.103 0.000 1.181 224 A CA 1.809 53.893 52.037 0.078 0.000 0.623 224 A CB -0.630 18.438 19.000 0.113 0.000 0.818 224 A HN 0.626 nan 8.150 nan 0.000 0.443 225 E N -0.690 119.584 120.200 0.125 0.000 2.072 225 E HA -0.146 4.204 4.350 0.000 0.000 0.191 225 E C 2.356 179.003 176.600 0.078 0.000 0.985 225 E CA 0.715 57.192 56.400 0.128 0.000 0.801 225 E CB -0.135 29.647 29.700 0.136 0.000 0.750 225 E HN 0.362 nan 8.360 nan 0.000 0.452 226 R N 0.546 121.082 120.500 0.060 0.000 2.073 226 R HA -0.093 4.247 4.340 0.000 0.000 0.234 226 R C 2.322 178.646 176.300 0.040 0.000 1.134 226 R CA 1.008 57.134 56.100 0.043 0.000 0.952 226 R CB -0.567 29.754 30.300 0.034 0.000 0.850 226 R HN 0.258 nan 8.270 nan 0.000 0.433 227 L N 1.253 122.501 121.223 0.041 0.000 2.552 227 L HA 0.016 4.356 4.340 0.000 0.000 0.227 227 L C 0.189 177.084 176.870 0.041 0.000 1.146 227 L CA 0.209 55.071 54.840 0.037 0.000 0.858 227 L CB -0.114 41.964 42.059 0.031 0.000 0.969 227 L HN 0.071 nan 8.230 nan 0.000 0.451 228 K N -0.254 120.175 120.400 0.049 0.000 3.148 228 K HA -0.177 4.143 4.320 0.000 0.000 0.267 228 K C -0.034 176.592 176.600 0.043 0.000 0.996 228 K CA 0.871 57.188 56.287 0.050 0.000 0.737 228 K CB -1.989 30.537 32.500 0.042 0.000 1.308 228 K HN 0.333 nan 8.250 nan 0.000 0.470 229 A N 1.110 123.948 122.820 0.030 0.000 2.330 229 A HA 0.669 4.990 4.320 0.000 0.000 0.327 229 A C -2.138 175.400 177.584 -0.078 0.000 1.155 229 A CA -1.524 50.511 52.037 -0.004 0.000 0.803 229 A CB 1.049 20.041 19.000 -0.014 0.000 1.208 229 A HN -0.025 nan 8.150 nan 0.000 0.477 230 P HA 0.282 nan 4.420 nan 0.000 0.271 230 P C -0.731 176.278 177.300 -0.486 0.000 1.218 230 P CA 0.035 62.903 63.100 -0.387 0.000 0.780 230 P CB 0.938 32.311 31.700 -0.545 0.000 0.901 231 V N 3.483 122.993 119.914 -0.672 0.000 2.483 231 V HA 0.354 4.474 4.120 0.000 0.000 0.297 231 V C -0.177 175.452 176.094 -0.775 0.000 1.027 231 V CA -0.471 61.451 62.300 -0.630 0.000 0.855 231 V CB 1.706 32.957 31.823 -0.952 0.000 0.995 231 V HN 0.605 nan 8.190 nan 0.000 0.424 232 W N 2.811 123.850 121.300 -0.435 0.000 2.647 232 W HA 0.677 5.337 4.660 0.000 0.000 0.353 232 W C -0.662 175.634 176.519 -0.371 0.000 1.080 232 W CA -0.721 56.336 57.345 -0.479 0.000 1.208 232 W CB 2.169 31.379 29.460 -0.416 0.000 1.396 232 W HN 0.266 nan 8.180 nan 0.000 0.573 233 V N 2.340 122.150 119.914 -0.172 0.000 2.465 233 V HA 0.362 4.482 4.120 0.000 0.000 0.279 233 V C 0.680 176.638 176.094 -0.226 0.000 1.045 233 V CA -0.914 61.278 62.300 -0.180 0.000 0.938 233 V CB 0.417 32.036 31.823 -0.340 0.000 0.986 233 V HN 0.580 nan 8.190 nan 0.000 0.467 234 A N 8.257 130.992 122.820 -0.140 0.000 2.507 234 A HA 0.446 4.766 4.320 0.000 0.000 0.235 234 A C -1.847 175.613 177.584 -0.206 0.000 1.070 234 A CA -0.742 51.201 52.037 -0.156 0.000 0.768 234 A CB -0.362 18.647 19.000 0.016 0.000 1.011 234 A HN 0.703 nan 8.150 nan 0.000 0.502 235 P HA 0.131 nan 4.420 nan 0.000 0.272 235 P C -0.043 177.189 177.300 -0.114 0.000 1.240 235 P CA 0.387 63.359 63.100 -0.213 0.000 0.791 235 P CB 0.579 32.156 31.700 -0.204 0.000 0.978 236 S N -2.134 113.502 115.700 -0.107 0.000 3.698 236 S HA -0.168 4.302 4.470 0.000 0.000 0.338 236 S C 0.602 175.228 174.600 0.044 0.000 1.089 236 S CA 0.702 58.885 58.200 -0.029 0.000 0.991 236 S CB -2.241 60.992 63.200 0.054 0.000 0.909 236 S HN 0.945 nan 8.310 nan 0.000 0.485 237 A N 0.872 123.686 122.820 -0.010 0.000 2.537 237 A HA 0.411 4.731 4.320 0.000 0.000 0.260 237 A C -0.576 177.251 177.584 0.404 0.000 1.082 237 A CA -0.663 51.462 52.037 0.148 0.000 0.765 237 A CB 0.115 19.166 19.000 0.085 0.000 1.019 237 A HN 0.278 nan 8.150 nan 0.000 0.507 238 P HA 0.030 nan 4.420 nan 0.000 0.227 238 P C 0.258 177.777 177.300 0.365 0.000 1.161 238 P CA 0.956 64.271 63.100 0.359 0.000 0.788 238 P CB 0.315 32.109 31.700 0.157 0.000 0.822 239 R N -2.688 118.030 120.500 0.364 0.000 2.817 239 R HA 0.554 4.894 4.340 0.000 0.000 0.268 239 R C -1.401 175.116 176.300 0.362 0.000 1.027 239 R CA -0.812 55.439 56.100 0.250 0.000 0.928 239 R CB 1.217 31.564 30.300 0.078 0.000 1.228 239 R HN -0.140 nan 8.270 nan 0.000 0.469 240 C N 2.915 122.345 119.300 0.217 0.000 2.264 240 C HA 0.518 4.978 4.460 0.000 0.000 0.324 240 C C -1.678 173.406 174.990 0.157 0.000 1.267 240 C CA -1.935 57.231 59.018 0.246 0.000 1.618 240 C CB 0.713 28.462 27.740 0.015 0.000 2.278 240 C HN 0.627 nan 8.230 nan 0.000 0.499 241 P HA 0.212 nan 4.420 nan 0.000 0.268 241 P C -0.301 177.147 177.300 0.245 0.000 1.329 241 P CA 0.285 63.493 63.100 0.180 0.000 0.899 241 P CB 0.138 31.944 31.700 0.177 0.000 1.378 242 F N 1.151 121.088 119.950 -0.022 0.000 2.665 242 F HA 0.475 5.002 4.527 0.000 0.000 0.308 242 F C -2.725 172.917 175.800 -0.263 0.000 1.112 242 F CA -2.406 55.531 58.000 -0.105 0.000 0.972 242 F CB 1.834 40.828 39.000 -0.010 0.000 1.295 242 F HN -0.360 nan 8.300 nan 0.000 0.440 243 P HA 0.126 nan 4.420 nan 0.000 0.267 243 P C 0.361 177.415 177.300 -0.410 0.000 1.209 243 P CA 0.126 63.008 63.100 -0.363 0.000 0.763 243 P CB 0.618 32.121 31.700 -0.327 0.000 0.816 244 T N 0.136 114.401 114.554 -0.481 0.000 3.148 244 T HA 0.063 4.413 4.350 0.000 0.000 0.253 244 T C 1.000 175.581 174.700 -0.197 0.000 1.134 244 T CA 0.404 62.052 62.100 -0.754 0.000 1.051 244 T CB -0.267 68.326 68.868 -0.457 0.000 0.959 244 T HN 0.167 nan 8.240 nan 0.000 0.525 245 R N 0.569 121.020 120.500 -0.082 0.000 2.577 245 R HA 0.222 4.562 4.340 0.000 0.000 0.344 245 R C 0.184 176.518 176.300 0.058 0.000 1.037 245 R CA -0.381 55.733 56.100 0.023 0.000 1.102 245 R CB -0.371 29.924 30.300 -0.009 0.000 1.313 245 R HN 0.583 nan 8.270 nan 0.000 0.561 246 H N 2.491 121.562 119.070 0.002 0.000 2.815 246 H HA 0.048 4.604 4.556 0.000 0.000 0.350 246 H C -1.470 173.937 175.328 0.132 0.000 1.080 246 H CA -1.053 55.023 56.048 0.048 0.000 1.433 246 H CB 1.691 31.471 29.762 0.029 0.000 1.432 246 H HN -0.175 nan 8.280 nan 0.000 0.592 247 P HA -0.122 nan 4.420 nan 0.000 0.218 247 P C 1.396 178.766 177.300 0.116 0.000 1.148 247 P CA 1.103 64.181 63.100 -0.037 0.000 0.822 247 P CB -0.018 31.594 31.700 -0.147 0.000 0.784 248 C N -2.664 116.836 119.300 0.333 0.000 2.481 248 C HA 0.099 4.559 4.460 0.000 0.000 0.275 248 C C 1.325 176.345 174.990 0.049 0.000 1.419 248 C CA -0.591 58.550 59.018 0.204 0.000 1.773 248 C CB -1.965 25.938 27.740 0.271 0.000 1.862 248 C HN 0.105 nan 8.230 nan 0.000 0.530 249 F N 2.018 122.011 119.950 0.071 0.000 2.538 249 F HA 0.228 4.755 4.527 0.000 0.000 0.371 249 F C 1.270 176.903 175.800 -0.278 0.000 1.087 249 F CA 0.205 58.136 58.000 -0.115 0.000 1.250 249 F CB 0.460 39.540 39.000 0.134 0.000 1.110 249 F HN -0.035 nan 8.300 nan 0.000 0.570 250 R N 3.712 123.507 120.500 -1.175 0.000 2.509 250 R HA 0.329 4.669 4.340 0.000 0.000 0.297 250 R C 0.527 176.213 176.300 -1.023 0.000 0.951 250 R CA 0.346 55.787 56.100 -1.099 0.000 1.103 250 R CB 0.043 29.350 30.300 -1.654 0.000 1.283 250 R HN 0.972 nan 8.270 nan 0.000 0.534 251 G N 1.305 109.122 108.800 -1.639 0.000 2.610 251 G HA2 -0.251 3.709 3.960 0.000 0.000 0.304 251 G HA3 -0.251 3.709 3.960 0.000 0.000 0.304 251 G C -1.073 173.440 174.900 -0.644 0.000 1.309 251 G CA -0.587 43.961 45.100 -0.920 0.000 0.906 251 G HN 0.154 nan 8.290 nan 0.000 0.521 252 L N 0.754 121.630 121.223 -0.577 0.000 2.360 252 L HA 0.680 5.021 4.340 0.000 0.000 0.276 252 L C 1.147 177.788 176.870 -0.382 0.000 1.121 252 L CA -0.074 54.349 54.840 -0.695 0.000 0.845 252 L CB 0.478 41.908 42.059 -1.048 0.000 1.143 252 L HN 0.602 nan 8.230 nan 0.000 0.452 253 M N 7.750 127.143 119.600 -0.346 0.000 2.245 253 M HA 0.240 4.721 4.480 0.000 0.000 0.344 253 M C -1.924 174.199 176.300 -0.295 0.000 1.170 253 M CA -1.472 53.624 55.300 -0.340 0.000 1.135 253 M CB 0.318 32.636 32.600 -0.471 0.000 1.574 253 M HN 0.497 nan 8.290 nan 0.000 0.452 254 P HA 0.072 nan 4.420 nan 0.000 0.268 254 P C -0.887 176.335 177.300 -0.131 0.000 1.205 254 P CA -0.178 62.823 63.100 -0.164 0.000 0.771 254 P CB 0.480 32.103 31.700 -0.128 0.000 0.858 255 A N 2.733 125.518 122.820 -0.057 0.000 3.135 255 A HA 0.518 4.838 4.320 0.000 0.000 0.253 255 A C 0.787 178.468 177.584 0.161 0.000 1.638 255 A CA -0.026 52.039 52.037 0.048 0.000 1.295 255 A CB -1.200 17.859 19.000 0.098 0.000 1.106 255 A HN 0.646 nan 8.150 nan 0.000 0.648 256 G N -0.818 108.064 108.800 0.137 0.000 2.620 256 G HA2 0.487 4.447 3.960 0.000 0.000 0.301 256 G HA3 0.487 4.447 3.960 0.000 0.000 0.301 256 G C 0.555 175.453 174.900 -0.003 0.000 1.347 256 G CA -0.640 44.488 45.100 0.047 0.000 0.971 256 G HN 0.145 nan 8.290 nan 0.000 0.488 257 I N 1.371 121.732 120.570 -0.348 0.000 2.099 257 I HA -0.229 3.941 4.170 0.000 0.000 0.239 257 I C 3.071 179.081 176.117 -0.178 0.000 1.066 257 I CA 1.968 63.020 61.300 -0.414 0.000 1.324 257 I CB -0.070 37.545 38.000 -0.642 0.000 1.037 257 I HN 0.560 nan 8.210 nan 0.000 0.401 258 A N 0.487 123.179 122.820 -0.212 0.000 1.898 258 A HA -0.132 4.188 4.320 0.000 0.000 0.216 258 A C 2.519 180.033 177.584 -0.117 0.000 1.181 258 A CA 1.757 53.699 52.037 -0.158 0.000 0.620 258 A CB -0.923 17.978 19.000 -0.166 0.000 0.819 258 A HN 0.448 nan 8.150 nan 0.000 0.442 259 A N -0.064 122.688 122.820 -0.113 0.000 1.908 259 A HA -0.115 4.205 4.320 0.000 0.000 0.218 259 A C 2.131 179.624 177.584 -0.153 0.000 1.181 259 A CA 1.635 53.603 52.037 -0.114 0.000 0.627 259 A CB -0.585 18.353 19.000 -0.103 0.000 0.818 259 A HN 0.508 nan 8.150 nan 0.000 0.445 260 I N 0.464 120.947 120.570 -0.144 0.000 2.286 260 I HA -0.218 3.952 4.170 0.000 0.000 0.245 260 I C 2.865 178.877 176.117 -0.175 0.000 1.104 260 I CA 1.496 62.657 61.300 -0.233 0.000 1.397 260 I CB -0.248 37.605 38.000 -0.246 0.000 1.072 260 I HN 0.507 nan 8.210 nan 0.000 0.417 261 S N 0.217 115.874 115.700 -0.072 0.000 2.402 261 S HA -0.261 4.209 4.470 0.000 0.000 0.229 261 S C 1.917 176.470 174.600 -0.077 0.000 1.021 261 S CA 1.114 59.288 58.200 -0.043 0.000 0.974 261 S CB -0.409 62.785 63.200 -0.009 0.000 0.800 261 S HN 0.365 nan 8.310 nan 0.000 0.484 262 Q N 1.488 121.230 119.800 -0.096 0.000 2.079 262 Q HA 0.110 4.450 4.340 0.000 0.000 0.200 262 Q C 2.012 177.946 176.000 -0.109 0.000 0.974 262 Q CA 1.487 57.237 55.803 -0.088 0.000 0.840 262 Q CB -0.740 27.949 28.738 -0.081 0.000 0.898 262 Q HN 0.637 nan 8.270 nan 0.000 0.430 263 L N -0.443 120.669 121.223 -0.184 0.000 2.079 263 L HA -0.154 4.186 4.340 0.000 0.000 0.210 263 L C 1.889 178.612 176.870 -0.245 0.000 1.081 263 L CA 1.009 55.689 54.840 -0.268 0.000 0.752 263 L CB -0.211 41.523 42.059 -0.542 0.000 0.896 263 L HN 0.308 nan 8.230 nan 0.000 0.433 264 L N -0.892 120.200 121.223 -0.219 0.000 2.591 264 L HA 0.018 4.358 4.340 0.000 0.000 0.228 264 L C 1.054 177.961 176.870 0.062 0.000 1.133 264 L CA -0.238 54.562 54.840 -0.067 0.000 0.880 264 L CB -0.267 41.722 42.059 -0.118 0.000 1.033 264 L HN 0.206 nan 8.230 nan 0.000 0.450 265 E N 0.623 120.817 120.200 -0.010 0.000 2.452 265 E HA 0.133 4.483 4.350 0.000 0.000 0.261 265 E C 1.195 177.753 176.600 -0.069 0.000 0.987 265 E CA 0.855 57.240 56.400 -0.025 0.000 0.926 265 E CB 0.412 30.087 29.700 -0.040 0.000 0.934 265 E HN 0.286 nan 8.360 nan 0.000 0.452 266 G N 3.966 112.722 108.800 -0.073 0.000 2.225 266 G HA2 -0.243 3.717 3.960 0.000 0.000 0.254 266 G HA3 -0.243 3.717 3.960 0.000 0.000 0.254 266 G C -0.085 174.699 174.900 -0.194 0.000 0.988 266 G CA 0.183 45.199 45.100 -0.140 0.000 0.625 266 G HN 0.716 nan 8.290 nan 0.000 0.527 267 H N 1.730 120.807 119.070 0.010 0.000 2.652 267 H HA 0.267 4.823 4.556 0.000 0.000 0.298 267 H C 1.191 176.529 175.328 0.016 0.000 1.076 267 H CA 0.374 56.437 56.048 0.025 0.000 1.360 267 H CB 1.422 31.204 29.762 0.035 0.000 1.421 267 H HN 0.480 nan 8.280 nan 0.000 0.464 268 D N 2.331 122.802 120.400 0.118 0.000 2.194 268 D HA -0.063 4.577 4.640 0.000 0.000 0.204 268 D C 0.477 176.819 176.300 0.069 0.000 0.964 268 D CA 0.455 54.497 54.000 0.070 0.000 0.846 268 D CB 0.423 41.251 40.800 0.046 0.000 0.962 268 D HN 0.105 nan 8.370 nan 0.000 0.490 269 V N 1.085 121.049 119.914 0.083 0.000 2.577 269 V HA 0.348 4.468 4.120 0.000 0.000 0.303 269 V C -0.513 175.615 176.094 0.057 0.000 1.042 269 V CA -1.003 61.331 62.300 0.057 0.000 0.872 269 V CB 2.531 34.379 31.823 0.042 0.000 0.998 269 V HN -0.092 nan 8.190 nan 0.000 0.423 270 V N 5.937 125.875 119.914 0.039 0.000 2.378 270 V HA 0.457 4.577 4.120 0.000 0.000 0.288 270 V C -0.461 175.644 176.094 0.019 0.000 1.016 270 V CA -0.550 61.763 62.300 0.022 0.000 0.840 270 V CB 1.662 33.501 31.823 0.027 0.000 0.994 270 V HN 0.673 nan 8.190 nan 0.000 0.431 271 L N 7.391 128.621 121.223 0.013 0.000 2.265 271 L HA 0.625 4.965 4.340 0.000 0.000 0.289 271 L C -0.351 176.529 176.870 0.016 0.000 1.033 271 L CA 0.203 55.048 54.840 0.008 0.000 0.814 271 L CB 1.465 43.527 42.059 0.005 0.000 1.203 271 L HN 0.444 nan 8.230 nan 0.000 0.423 272 V N 6.874 126.795 119.914 0.012 0.000 2.394 272 V HA 0.493 4.613 4.120 0.000 0.000 0.282 272 V C 0.113 176.210 176.094 0.005 0.000 1.031 272 V CA -0.393 61.922 62.300 0.026 0.000 0.881 272 V CB 1.363 33.191 31.823 0.009 0.000 0.982 272 V HN 0.597 nan 8.190 nan 0.000 0.451 273 I N 3.405 123.986 120.570 0.018 0.000 2.447 273 I HA 0.614 4.785 4.170 0.000 0.000 0.287 273 I C 0.925 177.057 176.117 0.026 0.000 1.023 273 I CA -0.501 60.807 61.300 0.015 0.000 1.083 273 I CB 1.782 39.794 38.000 0.020 0.000 1.245 273 I HN 0.825 nan 8.210 nan 0.000 0.434 274 G N 4.347 113.158 108.800 0.019 0.000 2.176 274 G HA2 -0.044 3.917 3.960 0.000 0.000 0.252 274 G HA3 -0.044 3.917 3.960 0.000 0.000 0.252 274 G C -0.063 174.868 174.900 0.052 0.000 1.024 274 G CA 0.229 45.351 45.100 0.037 0.000 0.755 274 G HN 1.048 nan 8.290 nan 0.000 0.507 275 A N -0.645 122.195 122.820 0.033 0.000 2.498 275 A HA 0.961 5.281 4.320 0.000 0.000 0.298 275 A C -2.598 174.977 177.584 -0.015 0.000 1.075 275 A CA -1.424 50.632 52.037 0.032 0.000 0.714 275 A CB 1.867 20.907 19.000 0.066 0.000 1.299 275 A HN 0.102 nan 8.150 nan 0.000 0.407 276 P HA 0.325 nan 4.420 nan 0.000 0.272 276 P C -0.717 176.454 177.300 -0.214 0.000 1.230 276 P CA -0.165 62.882 63.100 -0.089 0.000 0.788 276 P CB 0.606 32.271 31.700 -0.057 0.000 0.949 277 V N 2.849 122.529 119.914 -0.390 0.000 2.275 277 V HA 0.354 4.474 4.120 0.000 0.000 0.272 277 V C -0.457 175.299 176.094 -0.562 0.000 1.028 277 V CA -0.020 61.746 62.300 -0.891 0.000 0.810 277 V CB -0.809 30.506 31.823 -0.846 0.000 1.043 277 V HN 0.361 nan 8.190 nan 0.000 0.453 278 F N 2.315 122.017 119.950 -0.414 0.000 2.579 278 F HA 0.628 5.155 4.527 0.000 0.000 0.324 278 F C 0.602 176.067 175.800 -0.558 0.000 1.058 278 F CA -1.359 56.275 58.000 -0.610 0.000 0.944 278 F CB 1.679 40.115 39.000 -0.940 0.000 1.245 278 F HN 0.190 nan 8.300 nan 0.000 0.477 279 R N 1.645 122.075 120.500 -0.116 0.000 4.164 279 R HA 0.226 4.566 4.340 0.000 0.000 0.195 279 R C -1.280 175.018 176.300 -0.005 0.000 1.712 279 R CA -0.150 55.927 56.100 -0.039 0.000 1.457 279 R CB -1.292 29.006 30.300 -0.002 0.000 1.387 279 R HN 0.371 nan 8.270 nan 0.000 0.785 280 Y N -0.082 120.303 120.300 0.141 0.000 2.459 280 Y HA 0.021 4.571 4.550 0.000 0.000 0.349 280 Y C 1.799 177.804 175.900 0.174 0.000 1.266 280 Y CA 0.747 58.924 58.100 0.128 0.000 1.483 280 Y CB 0.430 38.970 38.460 0.134 0.000 1.362 280 Y HN 0.485 nan 8.280 nan 0.000 0.628 281 H N -1.143 118.048 119.070 0.201 0.000 1.985 281 H HA 0.117 4.673 4.556 0.000 0.000 0.159 281 H C 0.041 175.424 175.328 0.091 0.000 1.010 281 H CA -0.068 56.046 56.048 0.110 0.000 1.075 281 H CB 0.482 30.280 29.762 0.061 0.000 0.963 281 H HN 0.654 nan 8.280 nan 0.000 0.330 282 Q N 1.278 121.075 119.800 -0.006 0.000 2.394 282 Q HA -0.052 4.288 4.340 0.000 0.000 0.248 282 Q C -0.892 175.163 176.000 0.093 0.000 0.992 282 Q CA -0.303 55.471 55.803 -0.049 0.000 0.888 282 Q CB 0.751 29.439 28.738 -0.084 0.000 1.257 282 Q HN 0.450 nan 8.270 nan 0.000 0.462 283 Y N 1.590 121.900 120.300 0.016 0.000 2.496 283 Y HA 0.106 4.656 4.550 0.000 0.000 0.334 283 Y C -0.703 175.189 175.900 -0.014 0.000 1.080 283 Y CA 0.319 58.425 58.100 0.010 0.000 1.355 283 Y CB 0.525 39.010 38.460 0.043 0.000 1.193 283 Y HN 0.786 nan 8.280 nan 0.000 0.523 284 D N 8.458 128.538 120.400 -0.533 0.000 2.978 284 D HA 0.216 4.856 4.640 0.000 0.000 0.268 284 D C -3.064 172.927 176.300 -0.515 0.000 1.252 284 D CA -1.547 52.213 54.000 -0.400 0.000 0.771 284 D CB 0.681 41.357 40.800 -0.207 0.000 1.361 284 D HN 0.227 nan 8.370 nan 0.000 0.558 285 P HA 0.502 nan 4.420 nan 0.000 0.272 285 P C 0.476 177.561 177.300 -0.357 0.000 1.223 285 P CA 0.298 63.056 63.100 -0.570 0.000 0.784 285 P CB 1.672 33.042 31.700 -0.550 0.000 0.923 286 G N 1.110 109.701 108.800 -0.347 0.000 2.404 286 G HA2 0.087 4.047 3.960 0.000 0.000 0.253 286 G HA3 0.087 4.047 3.960 0.000 0.000 0.253 286 G C -1.584 173.129 174.900 -0.312 0.000 1.253 286 G CA -0.690 44.252 45.100 -0.263 0.000 0.917 286 G HN 0.465 nan 8.290 nan 0.000 0.480 287 Q N -0.342 119.328 119.800 -0.216 0.000 2.288 287 Q HA 0.426 4.766 4.340 0.000 0.000 0.254 287 Q C 0.327 176.237 176.000 -0.150 0.000 0.932 287 Q CA -0.487 55.210 55.803 -0.176 0.000 0.902 287 Q CB 1.219 29.912 28.738 -0.074 0.000 1.203 287 Q HN 0.508 nan 8.270 nan 0.000 0.415 288 Y N 1.167 121.460 120.300 -0.012 0.000 2.181 288 Y HA -0.069 4.481 4.550 0.000 0.000 0.288 288 Y C 0.517 176.458 175.900 0.068 0.000 1.146 288 Y CA 0.951 59.077 58.100 0.043 0.000 1.164 288 Y CB 0.300 38.795 38.460 0.059 0.000 0.982 288 Y HN 0.395 nan 8.280 nan 0.000 0.515 289 L N -0.193 121.142 121.223 0.188 0.000 2.434 289 L HA 0.362 4.702 4.340 0.000 0.000 0.260 289 L C -0.557 176.345 176.870 0.054 0.000 0.983 289 L CA -1.306 53.599 54.840 0.109 0.000 0.820 289 L CB 2.033 44.153 42.059 0.102 0.000 1.361 289 L HN -0.321 nan 8.230 nan 0.000 0.410 290 K N 1.401 121.816 120.400 0.026 0.000 2.168 290 K HA 0.358 4.678 4.320 0.000 0.000 0.258 290 K C -2.384 174.224 176.600 0.014 0.000 1.010 290 K CA -1.694 54.597 56.287 0.008 0.000 0.929 290 K CB 0.342 32.837 32.500 -0.007 0.000 0.998 290 K HN 0.206 nan 8.250 nan 0.000 0.479 291 P HA -0.031 nan 4.420 nan 0.000 0.264 291 P C 0.637 177.941 177.300 0.007 0.000 1.183 291 P CA 0.862 63.967 63.100 0.008 0.000 0.763 291 P CB 0.307 32.008 31.700 0.001 0.000 0.807 292 G N 1.356 110.163 108.800 0.011 0.000 2.194 292 G HA2 -0.190 3.770 3.960 0.000 0.000 0.236 292 G HA3 -0.190 3.770 3.960 0.000 0.000 0.236 292 G C 0.179 175.092 174.900 0.022 0.000 0.987 292 G CA -0.015 45.092 45.100 0.011 0.000 0.635 292 G HN 0.621 nan 8.290 nan 0.000 0.520 293 T N 1.196 115.767 114.554 0.029 0.000 2.767 293 T HA 0.586 4.936 4.350 0.000 0.000 0.284 293 T C 0.160 174.883 174.700 0.038 0.000 0.973 293 T CA -0.386 61.740 62.100 0.044 0.000 0.996 293 T CB 1.802 70.701 68.868 0.052 0.000 0.927 293 T HN 0.519 nan 8.240 nan 0.000 0.456 294 R N 3.608 124.130 120.500 0.036 0.000 2.407 294 R HA 0.660 5.000 4.340 0.000 0.000 0.303 294 R C -1.217 175.097 176.300 0.024 0.000 0.981 294 R CA -0.736 55.379 56.100 0.024 0.000 0.905 294 R CB 0.815 31.126 30.300 0.018 0.000 1.099 294 R HN 0.568 nan 8.270 nan 0.000 0.459 295 L N 5.710 126.939 121.223 0.010 0.000 2.329 295 L HA 0.573 4.913 4.340 0.000 0.000 0.279 295 L C -1.265 175.590 176.870 -0.025 0.000 1.014 295 L CA -0.662 54.176 54.840 -0.003 0.000 0.814 295 L CB 1.466 43.516 42.059 -0.014 0.000 1.257 295 L HN 0.660 nan 8.230 nan 0.000 0.424 296 I N 3.756 124.312 120.570 -0.024 0.000 2.447 296 I HA 0.374 4.544 4.170 0.000 0.000 0.287 296 I C -0.518 175.572 176.117 -0.045 0.000 1.023 296 I CA -0.406 60.874 61.300 -0.033 0.000 1.083 296 I CB 2.121 40.111 38.000 -0.017 0.000 1.245 296 I HN 0.582 nan 8.210 nan 0.000 0.434 297 S N 5.312 120.973 115.700 -0.065 0.000 2.454 297 S HA 0.732 5.202 4.470 0.000 0.000 0.306 297 S C -0.578 173.990 174.600 -0.054 0.000 1.100 297 S CA -0.782 57.372 58.200 -0.076 0.000 1.087 297 S CB 1.980 65.105 63.200 -0.126 0.000 1.019 297 S HN 0.278 nan 8.310 nan 0.000 0.480 298 V N 2.639 122.529 119.914 -0.040 0.000 2.370 298 V HA 0.739 4.859 4.120 0.000 0.000 0.283 298 V C 0.248 176.322 176.094 -0.033 0.000 1.023 298 V CA -0.287 61.994 62.300 -0.031 0.000 0.857 298 V CB 1.161 32.973 31.823 -0.018 0.000 0.985 298 V HN 1.062 nan 8.190 nan 0.000 0.443 299 T N 3.046 117.577 114.554 -0.039 0.000 2.909 299 T HA 0.240 4.591 4.350 0.000 0.000 0.299 299 T C 0.772 175.438 174.700 -0.057 0.000 1.073 299 T CA -0.105 61.971 62.100 -0.040 0.000 0.999 299 T CB 1.363 70.205 68.868 -0.043 0.000 1.098 299 T HN 0.883 nan 8.240 nan 0.000 0.477 300 C N 1.736 120.987 119.300 -0.082 0.000 2.626 300 C HA 0.444 4.904 4.460 0.000 0.000 0.266 300 C C 0.470 175.361 174.990 -0.165 0.000 1.317 300 C CA -0.404 58.536 59.018 -0.129 0.000 1.716 300 C CB -1.443 26.189 27.740 -0.180 0.000 1.819 300 C HN 0.749 nan 8.230 nan 0.000 0.578 301 D N 0.918 121.241 120.400 -0.128 0.000 2.505 301 D HA 0.358 4.998 4.640 0.000 0.000 0.250 301 D C -1.894 174.379 176.300 -0.046 0.000 1.164 301 D CA -1.936 51.997 54.000 -0.112 0.000 0.870 301 D CB 1.976 42.734 40.800 -0.070 0.000 1.160 301 D HN -0.102 nan 8.370 nan 0.000 0.549 302 P HA -0.110 nan 4.420 nan 0.000 0.216 302 P C 1.692 178.997 177.300 0.008 0.000 1.150 302 P CA 0.893 63.985 63.100 -0.012 0.000 0.843 302 P CB 0.369 32.068 31.700 -0.002 0.000 0.787 303 L N -0.809 120.434 121.223 0.033 0.000 2.131 303 L HA -0.172 4.168 4.340 0.000 0.000 0.210 303 L C 2.370 179.264 176.870 0.039 0.000 1.092 303 L CA 1.473 56.350 54.840 0.062 0.000 0.759 303 L CB -0.774 41.363 42.059 0.129 0.000 0.903 303 L HN 0.051 nan 8.230 nan 0.000 0.435 304 E N 0.122 120.334 120.200 0.021 0.000 2.047 304 E HA -0.182 4.168 4.350 0.000 0.000 0.191 304 E C 2.362 178.936 176.600 -0.044 0.000 0.987 304 E CA 1.082 57.476 56.400 -0.010 0.000 0.799 304 E CB -0.178 29.517 29.700 -0.008 0.000 0.752 304 E HN 0.478 nan 8.360 nan 0.000 0.449 305 A N 1.531 124.326 122.820 -0.042 0.000 1.940 305 A HA -0.146 4.174 4.320 0.000 0.000 0.219 305 A C 2.374 179.927 177.584 -0.051 0.000 1.176 305 A CA 1.767 53.771 52.037 -0.056 0.000 0.631 305 A CB -0.627 18.346 19.000 -0.045 0.000 0.814 305 A HN 0.293 nan 8.150 nan 0.000 0.446 306 A N 0.551 123.354 122.820 -0.028 0.000 1.930 306 A HA -0.140 4.180 4.320 0.000 0.000 0.217 306 A C 2.188 179.754 177.584 -0.031 0.000 1.175 306 A CA 1.610 53.635 52.037 -0.021 0.000 0.627 306 A CB -0.417 18.583 19.000 -0.000 0.000 0.815 306 A HN 0.720 nan 8.150 nan 0.000 0.443 307 R N -0.654 119.828 120.500 -0.030 0.000 2.280 307 R HA 0.455 4.795 4.340 0.000 0.000 0.195 307 R C 0.809 177.062 176.300 -0.079 0.000 0.935 307 R CA 0.565 56.645 56.100 -0.032 0.000 1.033 307 R CB -0.482 29.819 30.300 0.000 0.000 0.964 307 R HN 0.262 nan 8.270 nan 0.000 0.489 308 A N 2.900 125.649 122.820 -0.118 0.000 2.567 308 A HA 0.145 4.465 4.320 0.000 0.000 0.240 308 A C -1.656 175.798 177.584 -0.217 0.000 1.053 308 A CA -1.026 50.895 52.037 -0.193 0.000 0.755 308 A CB 0.175 19.045 19.000 -0.217 0.000 0.978 308 A HN 0.241 nan 8.150 nan 0.000 0.507 309 P HA 0.074 nan 4.420 nan 0.000 0.249 309 P C -0.177 176.897 177.300 -0.378 0.000 1.229 309 P CA 0.691 63.523 63.100 -0.448 0.000 0.788 309 P CB 0.018 31.094 31.700 -1.040 0.000 1.072 310 M N -2.991 116.438 119.600 -0.285 0.000 2.682 310 M HA 0.656 5.136 4.480 0.000 0.000 0.272 310 M C -0.450 175.767 176.300 -0.139 0.000 1.232 310 M CA -0.460 54.741 55.300 -0.165 0.000 0.849 310 M CB 1.139 33.676 32.600 -0.105 0.000 1.695 310 M HN 0.039 nan 8.290 nan 0.000 0.481 311 G N 1.673 110.422 108.800 -0.085 0.000 2.699 311 G HA2 -0.015 3.945 3.960 0.000 0.000 0.686 311 G HA3 -0.015 3.945 3.960 0.000 0.000 0.686 311 G C -1.536 173.323 174.900 -0.068 0.000 1.301 311 G CA -0.408 44.648 45.100 -0.074 0.000 0.816 311 G HN 0.980 nan 8.290 nan 0.000 0.595 312 D N 0.077 120.445 120.400 -0.053 0.000 2.354 312 D HA 0.733 5.373 4.640 0.000 0.000 0.247 312 D C 0.746 177.011 176.300 -0.058 0.000 1.138 312 D CA 1.105 55.077 54.000 -0.047 0.000 0.958 312 D CB 1.566 42.347 40.800 -0.032 0.000 1.144 312 D HN 1.273 nan 8.370 nan 0.000 0.458 313 A N 0.628 123.417 122.820 -0.052 0.000 2.539 313 A HA 0.734 5.054 4.320 0.000 0.000 0.296 313 A C -1.170 176.390 177.584 -0.041 0.000 1.073 313 A CA -0.611 51.393 52.037 -0.055 0.000 0.700 313 A CB 1.123 20.084 19.000 -0.065 0.000 1.296 313 A HN 0.449 nan 8.150 nan 0.000 0.405 314 I N 1.238 121.784 120.570 -0.039 0.000 2.478 314 I HA 0.379 4.549 4.170 0.000 0.000 0.287 314 I C -0.903 175.193 176.117 -0.035 0.000 1.042 314 I CA -0.814 60.466 61.300 -0.032 0.000 1.067 314 I CB 2.238 40.222 38.000 -0.026 0.000 1.233 314 I HN 0.307 nan 8.210 nan 0.000 0.431 315 V N 5.866 125.759 119.914 -0.035 0.000 2.348 315 V HA 0.856 4.976 4.120 0.000 0.000 0.270 315 V C 0.282 176.353 176.094 -0.038 0.000 1.037 315 V CA -0.094 62.183 62.300 -0.040 0.000 0.872 315 V CB 0.591 32.391 31.823 -0.038 0.000 1.002 315 V HN 0.879 nan 8.190 nan 0.000 0.464 316 A N 3.620 126.415 122.820 -0.042 0.000 2.564 316 A HA 0.621 4.941 4.320 0.000 0.000 0.291 316 A C -1.124 176.435 177.584 -0.042 0.000 1.102 316 A CA -0.782 51.233 52.037 -0.037 0.000 0.660 316 A CB 1.092 20.076 19.000 -0.027 0.000 1.283 316 A HN 0.713 nan 8.150 nan 0.000 0.430 317 D N 0.132 120.511 120.400 -0.035 0.000 2.390 317 D HA 0.302 4.942 4.640 0.000 0.000 0.249 317 D C 1.058 177.344 176.300 -0.024 0.000 1.144 317 D CA -0.362 53.617 54.000 -0.034 0.000 0.880 317 D CB 0.370 41.155 40.800 -0.026 0.000 1.182 317 D HN 0.275 nan 8.370 nan 0.000 0.451 318 I N 3.707 124.264 120.570 -0.022 0.000 2.252 318 I HA -0.042 4.128 4.170 0.000 0.000 0.245 318 I C 2.330 178.447 176.117 0.000 0.000 1.102 318 I CA 1.079 62.374 61.300 -0.007 0.000 1.385 318 I CB -1.644 36.357 38.000 0.001 0.000 1.064 318 I HN 0.695 nan 8.210 nan 0.000 0.414 319 G N 0.865 109.665 108.800 -0.000 0.000 2.446 319 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 319 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 319 G C 1.865 176.765 174.900 0.000 0.000 1.168 319 G CA 1.156 46.258 45.100 0.003 0.000 0.771 319 G HN 0.482 nan 8.290 nan 0.000 0.551 320 A N 0.299 123.116 122.820 -0.004 0.000 1.902 320 A HA 0.043 4.363 4.320 0.000 0.000 0.217 320 A C 2.451 180.032 177.584 -0.004 0.000 1.181 320 A CA 1.986 54.019 52.037 -0.005 0.000 0.623 320 A CB -0.325 18.670 19.000 -0.009 0.000 0.818 320 A HN 0.303 nan 8.150 nan 0.000 0.443 321 M N -0.527 119.070 119.600 -0.005 0.000 2.175 321 M HA -0.063 4.417 4.480 0.000 0.000 0.264 321 M C 2.515 178.816 176.300 0.003 0.000 1.063 321 M CA 1.514 56.812 55.300 -0.003 0.000 1.119 321 M CB -1.402 31.194 32.600 -0.006 0.000 1.377 321 M HN 0.492 nan 8.290 nan 0.000 0.415 322 A N -0.653 122.171 122.820 0.007 0.000 1.902 322 A HA -0.142 4.178 4.320 0.000 0.000 0.217 322 A C 2.474 180.065 177.584 0.012 0.000 1.181 322 A CA 2.184 54.230 52.037 0.014 0.000 0.623 322 A CB -0.879 18.134 19.000 0.021 0.000 0.818 322 A HN 0.484 nan 8.150 nan 0.000 0.443 323 S N -0.467 115.238 115.700 0.007 0.000 2.368 323 S HA -0.024 4.446 4.470 0.000 0.000 0.225 323 S C 2.167 176.769 174.600 0.004 0.000 1.030 323 S CA 1.566 59.769 58.200 0.005 0.000 0.999 323 S CB -0.453 62.748 63.200 0.002 0.000 0.844 323 S HN 0.785 nan 8.310 nan 0.000 0.459 324 A N 1.453 124.275 122.820 0.003 0.000 1.873 324 A HA 0.095 4.415 4.320 0.000 0.000 0.215 324 A C 2.226 179.813 177.584 0.004 0.000 1.186 324 A CA 1.365 53.403 52.037 0.002 0.000 0.616 324 A CB -0.865 18.135 19.000 -0.001 0.000 0.823 324 A HN 0.560 nan 8.150 nan 0.000 0.442 325 L N -0.662 120.565 121.223 0.006 0.000 2.046 325 L HA -0.214 4.126 4.340 0.000 0.000 0.208 325 L C 3.090 179.968 176.870 0.012 0.000 1.077 325 L CA 1.110 55.955 54.840 0.009 0.000 0.747 325 L CB -0.559 41.506 42.059 0.010 0.000 0.896 325 L HN 0.445 nan 8.230 nan 0.000 0.432 326 A N -0.177 122.652 122.820 0.014 0.000 1.978 326 A HA -0.192 4.128 4.320 0.000 0.000 0.220 326 A C 1.960 179.553 177.584 0.014 0.000 1.170 326 A CA 1.781 53.828 52.037 0.017 0.000 0.636 326 A CB -0.435 18.576 19.000 0.017 0.000 0.810 326 A HN 0.478 nan 8.150 nan 0.000 0.448 327 N N -0.934 117.772 118.700 0.010 0.000 2.299 327 N HA 0.173 4.913 4.740 0.000 0.000 0.187 327 N C 1.229 176.743 175.510 0.007 0.000 1.099 327 N CA 0.413 53.467 53.050 0.008 0.000 0.867 327 N CB 0.315 38.804 38.487 0.005 0.000 0.974 327 N HN 0.467 nan 8.380 nan 0.000 0.477 328 L N 0.549 121.777 121.223 0.008 0.000 2.470 328 L HA 0.150 4.490 4.340 0.000 0.000 0.219 328 L C 0.789 177.665 176.870 0.009 0.000 1.071 328 L CA 0.034 54.878 54.840 0.007 0.000 0.850 328 L CB 0.116 42.178 42.059 0.005 0.000 1.040 328 L HN -0.114 nan 8.230 nan 0.000 0.475 329 V N -1.422 118.499 119.914 0.012 0.000 2.963 329 V HA 0.095 4.215 4.120 0.000 0.000 0.306 329 V C 0.291 176.393 176.094 0.014 0.000 1.077 329 V CA -0.898 61.410 62.300 0.013 0.000 1.124 329 V CB 0.363 32.196 31.823 0.017 0.000 0.987 329 V HN 0.157 nan 8.190 nan 0.000 0.487 330 E N 1.116 121.325 120.200 0.014 0.000 2.404 330 E HA 0.190 4.540 4.350 0.000 0.000 0.261 330 E C -0.168 176.443 176.600 0.018 0.000 1.074 330 E CA -0.198 56.210 56.400 0.014 0.000 0.917 330 E CB 0.649 30.357 29.700 0.014 0.000 0.965 330 E HN 0.900 nan 8.360 nan 0.000 0.433 331 E N 1.686 121.896 120.200 0.017 0.000 2.166 331 E HA 0.029 4.379 4.350 0.000 0.000 0.279 331 E C -0.710 175.902 176.600 0.020 0.000 1.095 331 E CA -0.109 56.303 56.400 0.020 0.000 0.888 331 E CB 0.652 30.363 29.700 0.018 0.000 1.041 331 E HN 0.298 nan 8.360 nan 0.000 0.414 332 S N 3.069 118.783 115.700 0.023 0.000 2.572 332 S HA 0.037 4.507 4.470 0.000 0.000 0.279 332 S C 0.959 175.571 174.600 0.021 0.000 1.341 332 S CA 0.115 58.328 58.200 0.023 0.000 1.043 332 S CB 0.566 63.782 63.200 0.027 0.000 0.887 332 S HN 0.645 nan 8.310 nan 0.000 0.516 333 S N 3.955 119.666 115.700 0.018 0.000 2.593 333 S HA 0.203 4.673 4.470 0.000 0.000 0.217 333 S C 0.671 175.281 174.600 0.016 0.000 0.966 333 S CA -0.380 57.829 58.200 0.015 0.000 0.914 333 S CB -0.138 63.069 63.200 0.012 0.000 0.776 333 S HN 0.711 nan 8.310 nan 0.000 0.523 334 R N 1.540 122.052 120.500 0.019 0.000 2.827 334 R HA 0.175 4.515 4.340 0.000 0.000 0.269 334 R C 0.379 176.691 176.300 0.019 0.000 1.048 334 R CA -0.130 55.982 56.100 0.020 0.000 1.173 334 R CB 0.238 30.554 30.300 0.026 0.000 1.070 334 R HN 0.437 nan 8.270 nan 0.000 0.498 335 Q N 1.460 121.270 119.800 0.017 0.000 2.352 335 Q HA 0.061 4.401 4.340 0.000 0.000 0.260 335 Q C -0.672 175.340 176.000 0.019 0.000 0.976 335 Q CA -0.395 55.417 55.803 0.014 0.000 0.881 335 Q CB 0.750 29.494 28.738 0.009 0.000 1.235 335 Q HN 0.320 nan 8.270 nan 0.000 0.419 336 L N 6.705 127.939 121.223 0.018 0.000 2.490 336 L HA 0.207 4.547 4.340 0.000 0.000 0.274 336 L C -2.182 174.697 176.870 0.016 0.000 1.201 336 L CA -0.870 53.985 54.840 0.024 0.000 0.869 336 L CB 0.313 42.384 42.059 0.019 0.000 1.123 336 L HN 0.625 nan 8.230 nan 0.000 0.484 337 P HA 0.032 nan 4.420 nan 0.000 0.266 337 P C -0.945 176.352 177.300 -0.006 0.000 1.193 337 P CA 0.057 63.159 63.100 0.002 0.000 0.770 337 P CB 0.257 31.951 31.700 -0.010 0.000 0.836 338 T N 1.965 116.511 114.554 -0.014 0.000 2.832 338 T HA 0.413 4.763 4.350 0.000 0.000 0.296 338 T C 0.429 175.117 174.700 -0.019 0.000 0.968 338 T CA -0.282 61.808 62.100 -0.017 0.000 1.107 338 T CB 0.460 69.319 68.868 -0.014 0.000 0.916 338 T HN 0.448 nan 8.240 nan 0.000 0.517 339 A N 2.743 125.553 122.820 -0.017 0.000 2.466 339 A HA 0.561 4.881 4.320 0.000 0.000 0.238 339 A C 0.846 178.429 177.584 -0.001 0.000 1.074 339 A CA -0.476 51.560 52.037 -0.002 0.000 0.774 339 A CB -0.186 18.810 19.000 -0.006 0.000 1.015 339 A HN 1.074 nan 8.150 nan 0.000 0.498 340 A N 3.035 125.862 122.820 0.011 0.000 2.462 340 A HA 0.532 4.852 4.320 0.000 0.000 0.243 340 A C -1.889 175.702 177.584 0.013 0.000 1.076 340 A CA -0.911 51.128 52.037 0.003 0.000 0.773 340 A CB -0.828 18.177 19.000 0.009 0.000 1.010 340 A HN 0.715 nan 8.150 nan 0.000 0.493 341 P HA 0.167 nan 4.420 nan 0.000 0.269 341 P C -0.451 176.859 177.300 0.016 0.000 1.215 341 P CA -0.230 62.875 63.100 0.009 0.000 0.780 341 P CB 0.327 32.030 31.700 0.005 0.000 0.898 342 E N 2.231 122.440 120.200 0.015 0.000 2.653 342 E HA -0.005 4.345 4.350 0.000 0.000 0.264 342 E C -1.913 174.698 176.600 0.018 0.000 0.949 342 E CA -0.950 55.460 56.400 0.017 0.000 0.953 342 E CB -0.961 28.746 29.700 0.013 0.000 0.925 342 E HN 0.347 nan 8.360 nan 0.000 0.475 343 P HA 0.095 nan 4.420 nan 0.000 0.272 343 P C -0.821 176.490 177.300 0.019 0.000 1.223 343 P CA -0.282 62.831 63.100 0.021 0.000 0.784 343 P CB 0.681 32.398 31.700 0.027 0.000 0.923 344 A N 2.059 124.888 122.820 0.015 0.000 2.445 344 A HA 0.168 4.488 4.320 0.000 0.000 0.242 344 A C 0.345 177.937 177.584 0.013 0.000 1.075 344 A CA -0.160 51.884 52.037 0.011 0.000 0.777 344 A CB -0.217 18.786 19.000 0.005 0.000 1.013 344 A HN 0.539 nan 8.150 nan 0.000 0.493 345 K N 2.200 122.606 120.400 0.010 0.000 2.276 345 K HA 0.428 4.748 4.320 0.000 0.000 0.285 345 K C -0.802 175.794 176.600 -0.007 0.000 1.062 345 K CA -0.404 55.889 56.287 0.010 0.000 0.918 345 K CB 0.525 33.033 32.500 0.014 0.000 1.055 345 K HN 0.432 nan 8.250 nan 0.000 0.477 346 V N 4.422 124.324 119.914 -0.021 0.000 2.614 346 V HA -0.015 4.105 4.120 0.000 0.000 0.291 346 V C -0.125 175.921 176.094 -0.079 0.000 1.049 346 V CA -0.475 61.776 62.300 -0.081 0.000 1.038 346 V CB 0.979 32.720 31.823 -0.137 0.000 0.980 346 V HN 0.838 nan 8.190 nan 0.000 0.481 347 D N 3.648 123.995 120.400 -0.089 0.000 2.493 347 D HA 0.238 4.878 4.640 0.000 0.000 0.240 347 D C 0.017 176.322 176.300 0.009 0.000 1.142 347 D CA 0.464 54.445 54.000 -0.033 0.000 0.872 347 D CB 0.581 41.370 40.800 -0.019 0.000 1.173 347 D HN 0.576 nan 8.370 nan 0.000 0.467 348 Q N 2.217 122.065 119.800 0.079 0.000 2.290 348 Q HA 0.243 4.583 4.340 0.000 0.000 0.269 348 Q C -1.242 174.820 176.000 0.103 0.000 1.016 348 Q CA -0.828 55.072 55.803 0.163 0.000 0.754 348 Q CB 1.154 29.979 28.738 0.145 0.000 1.247 348 Q HN 0.386 nan 8.270 nan 0.000 0.451 349 D N 2.192 122.657 120.400 0.107 0.000 2.478 349 D HA 0.315 4.955 4.640 0.000 0.000 0.274 349 D C 0.062 176.387 176.300 0.041 0.000 1.234 349 D CA -0.094 53.943 54.000 0.062 0.000 1.069 349 D CB 0.498 41.334 40.800 0.059 0.000 1.113 349 D HN 0.479 nan 8.370 nan 0.000 0.571 350 A N -1.008 121.828 122.820 0.027 0.000 2.302 350 A HA 0.452 4.772 4.320 0.000 0.000 0.219 350 A C 1.046 178.635 177.584 0.008 0.000 1.243 350 A CA 0.444 52.491 52.037 0.018 0.000 0.856 350 A CB -0.990 18.019 19.000 0.017 0.000 0.893 350 A HN 0.566 nan 8.150 nan 0.000 0.491 351 G N -0.558 108.243 108.800 0.001 0.000 2.773 351 G HA2 0.422 4.382 3.960 0.000 0.000 0.186 351 G HA3 0.422 4.382 3.960 0.000 0.000 0.186 351 G C 0.059 174.936 174.900 -0.038 0.000 1.411 351 G CA -0.987 44.104 45.100 -0.015 0.000 1.054 351 G HN 0.435 nan 8.290 nan 0.000 0.579 352 R N -0.515 119.948 120.500 -0.062 0.000 2.756 352 R HA 0.119 4.459 4.340 0.000 0.000 0.264 352 R C -0.413 175.796 176.300 -0.151 0.000 1.026 352 R CA -0.394 55.654 56.100 -0.087 0.000 1.121 352 R CB 0.213 30.462 30.300 -0.086 0.000 0.999 352 R HN 0.078 nan 8.270 nan 0.000 0.449 353 L N 4.057 125.204 121.223 -0.126 0.000 2.319 353 L HA 0.139 4.479 4.340 0.000 0.000 0.280 353 L C 0.685 177.446 176.870 -0.183 0.000 1.099 353 L CA 0.161 54.928 54.840 -0.122 0.000 0.828 353 L CB 0.511 42.526 42.059 -0.072 0.000 1.150 353 L HN 0.479 nan 8.230 nan 0.000 0.442 354 H N 5.174 124.236 119.070 -0.012 0.000 2.848 354 H HA 0.043 4.599 4.556 0.000 0.000 0.341 354 H C -1.411 173.888 175.328 -0.048 0.000 1.060 354 H CA -1.258 54.785 56.048 -0.008 0.000 1.444 354 H CB 0.638 30.409 29.762 0.014 0.000 1.446 354 H HN 0.349 nan 8.280 nan 0.000 0.583 355 P HA -0.150 nan 4.420 nan 0.000 0.216 355 P C 1.063 178.301 177.300 -0.104 0.000 1.150 355 P CA 1.291 64.323 63.100 -0.113 0.000 0.837 355 P CB 0.389 32.099 31.700 0.017 0.000 0.786 356 E N -1.145 119.132 120.200 0.129 0.000 2.118 356 E HA -0.141 4.209 4.350 0.000 0.000 0.195 356 E C 1.936 178.601 176.600 0.109 0.000 0.992 356 E CA 1.667 58.179 56.400 0.186 0.000 0.804 356 E CB -1.334 28.445 29.700 0.132 0.000 0.741 356 E HN 0.250 nan 8.360 nan 0.000 0.458 357 T N 0.253 114.850 114.554 0.072 0.000 2.746 357 T HA -0.147 4.203 4.350 0.000 0.000 0.267 357 T C 2.022 176.714 174.700 -0.012 0.000 1.039 357 T CA 1.335 63.462 62.100 0.045 0.000 1.142 357 T CB -0.365 68.543 68.868 0.066 0.000 0.866 357 T HN -0.015 nan 8.240 nan 0.000 0.444 358 V N 0.975 120.814 119.914 -0.124 0.000 2.287 358 V HA -0.150 3.970 4.120 0.000 0.000 0.248 358 V C 2.201 178.206 176.094 -0.148 0.000 1.053 358 V CA 1.705 63.880 62.300 -0.209 0.000 1.027 358 V CB -0.871 30.712 31.823 -0.401 0.000 0.646 358 V HN 0.367 nan 8.190 nan 0.000 0.447 359 F N 0.620 120.576 119.950 0.010 0.000 2.171 359 F HA -0.110 4.417 4.527 0.000 0.000 0.300 359 F C 2.268 178.052 175.800 -0.026 0.000 1.090 359 F CA 1.287 59.270 58.000 -0.029 0.000 1.293 359 F CB -0.951 38.020 39.000 -0.049 0.000 1.013 359 F HN 0.205 nan 8.300 nan 0.000 0.486 360 D N -0.484 120.013 120.400 0.161 0.000 2.117 360 D HA -0.126 4.514 4.640 0.000 0.000 0.197 360 D C 2.294 178.637 176.300 0.072 0.000 0.987 360 D CA 1.798 55.855 54.000 0.095 0.000 0.829 360 D CB -0.734 40.110 40.800 0.073 0.000 0.961 360 D HN 0.185 nan 8.370 nan 0.000 0.460 361 T N 0.904 115.493 114.554 0.059 0.000 2.777 361 T HA -0.023 4.327 4.350 0.000 0.000 0.266 361 T C 2.222 176.964 174.700 0.069 0.000 1.040 361 T CA 0.399 62.529 62.100 0.049 0.000 1.141 361 T CB -0.210 68.675 68.868 0.029 0.000 0.868 361 T HN 0.101 nan 8.240 nan 0.000 0.444 362 L N 1.255 122.534 121.223 0.094 0.000 2.012 362 L HA -0.155 4.185 4.340 0.000 0.000 0.210 362 L C 2.610 179.576 176.870 0.161 0.000 1.073 362 L CA 1.391 56.322 54.840 0.151 0.000 0.748 362 L CB -0.596 41.600 42.059 0.229 0.000 0.891 362 L HN 0.265 nan 8.230 nan 0.000 0.431 363 N N -0.159 118.611 118.700 0.116 0.000 2.223 363 N HA -0.202 4.538 4.740 0.000 0.000 0.185 363 N C 1.441 176.998 175.510 0.077 0.000 1.016 363 N CA 1.377 54.482 53.050 0.092 0.000 0.863 363 N CB 0.013 38.524 38.487 0.039 0.000 0.983 363 N HN 0.224 nan 8.380 nan 0.000 0.429 364 D N -0.590 119.849 120.400 0.064 0.000 2.149 364 D HA -0.060 4.580 4.640 0.000 0.000 0.201 364 D C 1.610 177.938 176.300 0.047 0.000 0.972 364 D CA 1.069 55.097 54.000 0.047 0.000 0.835 364 D CB -0.005 40.819 40.800 0.040 0.000 0.966 364 D HN 0.459 nan 8.370 nan 0.000 0.476 365 M N -0.055 119.579 119.600 0.056 0.000 2.567 365 M HA 0.222 4.702 4.480 0.000 0.000 0.261 365 M C 0.869 177.195 176.300 0.043 0.000 1.180 365 M CA -0.109 55.218 55.300 0.044 0.000 1.143 365 M CB 0.667 33.292 32.600 0.040 0.000 1.319 365 M HN -0.196 nan 8.290 nan 0.000 0.490 366 A N 2.601 125.462 122.820 0.068 0.000 2.425 366 A HA 0.377 4.697 4.320 0.000 0.000 0.242 366 A C -2.081 175.518 177.584 0.025 0.000 1.077 366 A CA -1.054 51.011 52.037 0.048 0.000 0.781 366 A CB -0.724 18.337 19.000 0.102 0.000 1.020 366 A HN 0.125 nan 8.150 nan 0.000 0.494 367 P HA 0.079 nan 4.420 nan 0.000 0.270 367 P C 0.097 177.392 177.300 -0.010 0.000 1.223 367 P CA -0.033 63.057 63.100 -0.017 0.000 0.785 367 P CB 0.544 32.222 31.700 -0.036 0.000 0.923 368 E N 0.896 121.093 120.200 -0.005 0.000 2.333 368 E HA -0.151 4.199 4.350 0.000 0.000 0.198 368 E C 0.799 177.391 176.600 -0.013 0.000 1.007 368 E CA 0.889 57.289 56.400 0.000 0.000 0.845 368 E CB -0.189 29.508 29.700 -0.006 0.000 0.766 368 E HN 0.521 nan 8.360 nan 0.000 0.507 369 N N 0.287 118.967 118.700 -0.033 0.000 2.273 369 N HA 0.121 4.861 4.740 0.000 0.000 0.231 369 N C -0.196 175.266 175.510 -0.080 0.000 1.134 369 N CA -0.097 52.927 53.050 -0.044 0.000 0.856 369 N CB 0.164 38.627 38.487 -0.039 0.000 1.068 369 N HN -0.074 nan 8.380 nan 0.000 0.510 370 A N 0.716 123.462 122.820 -0.123 0.000 2.448 370 A HA 0.435 4.755 4.320 0.000 0.000 0.239 370 A C 0.075 177.481 177.584 -0.297 0.000 1.080 370 A CA -0.069 51.806 52.037 -0.270 0.000 0.779 370 A CB 0.062 18.788 19.000 -0.457 0.000 1.026 370 A HN 0.403 nan 8.150 nan 0.000 0.499 371 I N 0.584 120.945 120.570 -0.349 0.000 2.436 371 I HA 0.355 4.525 4.170 0.000 0.000 0.289 371 I C -1.267 174.651 176.117 -0.332 0.000 1.010 371 I CA -0.296 60.879 61.300 -0.209 0.000 1.098 371 I CB 1.509 39.491 38.000 -0.031 0.000 1.266 371 I HN 0.600 nan 8.210 nan 0.000 0.434 372 Y N 5.956 126.273 120.300 0.028 0.000 2.387 372 Y HA 0.651 5.201 4.550 0.000 0.000 0.336 372 Y C -0.447 175.444 175.900 -0.015 0.000 1.067 372 Y CA -0.813 57.295 58.100 0.014 0.000 1.114 372 Y CB 1.502 39.981 38.460 0.031 0.000 1.208 372 Y HN 0.299 nan 8.280 nan 0.000 0.458 373 L N 2.705 124.010 121.223 0.137 0.000 2.354 373 L HA 0.480 4.820 4.340 0.000 0.000 0.269 373 L C -0.656 176.258 176.870 0.073 0.000 1.005 373 L CA -0.685 54.185 54.840 0.050 0.000 0.819 373 L CB 1.671 43.765 42.059 0.059 0.000 1.311 373 L HN 0.568 nan 8.230 nan 0.000 0.423 374 N N 1.312 120.036 118.700 0.041 0.000 2.442 374 N HA 0.305 5.045 4.740 0.000 0.000 0.274 374 N C -0.922 174.766 175.510 0.296 0.000 1.002 374 N CA -0.246 52.920 53.050 0.192 0.000 0.910 374 N CB 1.387 40.011 38.487 0.228 0.000 1.244 374 N HN 0.690 nan 8.380 nan 0.000 0.492 375 E N 1.896 122.245 120.200 0.248 0.000 4.017 375 E HA 0.146 4.496 4.350 0.000 0.000 0.205 375 E C -1.295 175.438 176.600 0.221 0.000 1.054 375 E CA -0.110 56.423 56.400 0.222 0.000 1.398 375 E CB 0.205 29.993 29.700 0.146 0.000 1.164 375 E HN 0.344 nan 8.360 nan 0.000 0.445 376 S N 0.319 116.175 115.700 0.260 0.000 2.475 376 S HA 0.106 4.576 4.470 0.000 0.000 0.249 376 S C 1.128 175.875 174.600 0.245 0.000 1.298 376 S CA -0.287 58.055 58.200 0.237 0.000 1.125 376 S CB 0.396 63.747 63.200 0.250 0.000 1.054 376 S HN 0.395 nan 8.310 nan 0.000 0.484 377 T N 0.514 115.206 114.554 0.230 0.000 2.995 377 T HA -0.081 4.269 4.350 0.000 0.000 0.269 377 T C 1.752 176.543 174.700 0.151 0.000 1.091 377 T CA 1.114 63.352 62.100 0.231 0.000 1.128 377 T CB -0.361 68.638 68.868 0.218 0.000 0.891 377 T HN 0.645 nan 8.240 nan 0.000 0.492 378 S N 1.453 117.232 115.700 0.131 0.000 2.593 378 S HA 0.051 4.521 4.470 0.000 0.000 0.217 378 S C 1.633 176.254 174.600 0.035 0.000 0.966 378 S CA 0.367 58.593 58.200 0.043 0.000 0.914 378 S CB -0.604 62.640 63.200 0.074 0.000 0.776 378 S HN 0.699 nan 8.310 nan 0.000 0.523 379 T N -3.353 111.274 114.554 0.121 0.000 3.091 379 T HA 0.223 4.573 4.350 0.000 0.000 0.277 379 T C 1.212 175.986 174.700 0.123 0.000 0.996 379 T CA 0.195 62.406 62.100 0.186 0.000 0.897 379 T CB -0.168 68.927 68.868 0.378 0.000 1.109 379 T HN 0.162 nan 8.240 nan 0.000 0.534 380 T N 2.327 116.922 114.554 0.069 0.000 2.720 380 T HA -0.013 4.337 4.350 0.000 0.000 0.268 380 T C 2.404 177.130 174.700 0.043 0.000 1.037 380 T CA 1.593 63.722 62.100 0.048 0.000 1.144 380 T CB -0.680 68.197 68.868 0.014 0.000 0.864 380 T HN 0.625 nan 8.240 nan 0.000 0.444 381 A N 1.394 124.211 122.820 -0.005 0.000 1.902 381 A HA -0.156 4.164 4.320 0.000 0.000 0.217 381 A C 2.394 179.975 177.584 -0.006 0.000 1.181 381 A CA 1.239 53.270 52.037 -0.012 0.000 0.623 381 A CB -0.513 18.450 19.000 -0.062 0.000 0.818 381 A HN 0.318 nan 8.150 nan 0.000 0.443 382 Q N -1.098 118.687 119.800 -0.026 0.000 2.119 382 Q HA -0.143 4.197 4.340 0.000 0.000 0.201 382 Q C 2.111 177.952 176.000 -0.265 0.000 0.972 382 Q CA 1.572 57.356 55.803 -0.031 0.000 0.847 382 Q CB -0.463 28.346 28.738 0.119 0.000 0.903 382 Q HN 0.825 nan 8.270 nan 0.000 0.433 383 M N -1.165 118.056 119.600 -0.631 0.000 2.080 383 M HA -0.200 4.280 4.480 0.000 0.000 0.260 383 M C 1.557 177.508 176.300 -0.583 0.000 1.068 383 M CA 1.658 56.254 55.300 -1.174 0.000 1.109 383 M CB -0.212 31.695 32.600 -1.154 0.000 1.342 383 M HN 0.200 nan 8.290 nan 0.000 0.405 384 W N 0.659 121.724 121.300 -0.392 0.000 2.392 384 W HA -0.166 4.494 4.660 0.000 0.000 0.279 384 W C 2.297 178.715 176.519 -0.169 0.000 1.225 384 W CA 1.211 58.384 57.345 -0.287 0.000 1.233 384 W CB -0.066 29.248 29.460 -0.244 0.000 1.122 384 W HN 0.372 nan 8.180 nan 0.000 0.561 385 Q N -0.812 119.027 119.800 0.065 0.000 2.331 385 Q HA -0.004 4.336 4.340 0.000 0.000 0.203 385 Q C 1.838 177.840 176.000 0.003 0.000 0.944 385 Q CA 0.785 56.622 55.803 0.058 0.000 0.892 385 Q CB 0.006 28.764 28.738 0.033 0.000 0.983 385 Q HN 0.290 nan 8.270 nan 0.000 0.482 386 R N -0.522 119.929 120.500 -0.081 0.000 2.365 386 R HA 0.244 4.584 4.340 0.000 0.000 0.223 386 R C -0.144 176.096 176.300 -0.100 0.000 0.899 386 R CA -0.024 56.043 56.100 -0.055 0.000 1.059 386 R CB 0.720 31.025 30.300 0.009 0.000 1.086 386 R HN 0.059 nan 8.270 nan 0.000 0.522 387 L N 1.456 122.553 121.223 -0.210 0.000 2.287 387 L HA 0.294 4.634 4.340 0.000 0.000 0.287 387 L C -0.355 176.414 176.870 -0.169 0.000 1.022 387 L CA -0.532 54.150 54.840 -0.265 0.000 0.814 387 L CB 1.565 43.282 42.059 -0.569 0.000 1.217 387 L HN 0.091 nan 8.230 nan 0.000 0.420 388 N N 4.837 123.486 118.700 -0.085 0.000 2.415 388 N HA 0.318 5.058 4.740 0.000 0.000 0.246 388 N C -0.831 174.655 175.510 -0.041 0.000 1.078 388 N CA -0.428 52.586 53.050 -0.059 0.000 0.942 388 N CB 0.539 39.011 38.487 -0.025 0.000 1.140 388 N HN 0.572 nan 8.380 nan 0.000 0.501 389 M N 3.641 123.185 119.600 -0.093 0.000 2.060 389 M HA 0.235 4.715 4.480 0.000 0.000 0.342 389 M C 0.847 177.084 176.300 -0.105 0.000 1.031 389 M CA -0.427 54.833 55.300 -0.068 0.000 0.981 389 M CB 1.462 33.998 32.600 -0.106 0.000 1.376 389 M HN 0.470 nan 8.290 nan 0.000 0.397 390 R N 0.407 120.863 120.500 -0.074 0.000 2.161 390 R HA 0.116 4.456 4.340 0.000 0.000 0.213 390 R C 0.326 176.566 176.300 -0.101 0.000 1.055 390 R CA 0.740 56.785 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 0.596 nan 8.270 nan 0.000 0.456 391 N N 0.702 119.358 118.700 -0.073 0.000 2.443 391 N HA 0.302 5.042 4.740 0.000 0.000 0.293 391 N C -2.623 172.854 175.510 -0.056 0.000 1.159 391 N CA -1.690 51.323 53.050 -0.062 0.000 0.904 391 N CB 1.273 39.735 38.487 -0.041 0.000 1.214 391 N HN -0.216 nan 8.380 nan 0.000 0.513 392 P HA 0.125 nan 4.420 nan 0.000 0.273 392 P C 0.510 177.803 177.300 -0.011 0.000 1.250 392 P CA 0.248 63.332 63.100 -0.026 0.000 0.793 392 P CB 0.296 31.987 31.700 -0.015 0.000 1.011 393 G N 0.122 108.917 108.800 -0.007 0.000 2.249 393 G HA2 -0.254 3.706 3.960 0.000 0.000 0.273 393 G HA3 -0.254 3.706 3.960 0.000 0.000 0.273 393 G C 0.632 175.536 174.900 0.007 0.000 1.036 393 G CA 0.474 45.591 45.100 0.027 0.000 0.824 393 G HN 0.444 nan 8.290 nan 0.000 0.504 394 S N -1.541 114.125 115.700 -0.056 0.000 2.539 394 S HA 0.397 4.867 4.470 0.000 0.000 0.221 394 S C -0.068 174.566 174.600 0.057 0.000 0.987 394 S CA 0.234 58.439 58.200 0.009 0.000 0.929 394 S CB 0.519 63.733 63.200 0.022 0.000 0.832 394 S HN 0.774 nan 8.310 nan 0.000 0.492 395 Y N 0.686 120.791 120.300 -0.326 0.000 2.442 395 Y HA 0.541 5.091 4.550 0.000 0.000 0.330 395 Y C -2.144 173.431 175.900 -0.542 0.000 1.100 395 Y CA -1.228 56.705 58.100 -0.279 0.000 1.034 395 Y CB 1.004 39.266 38.460 -0.331 0.000 1.285 395 Y HN 0.044 nan 8.280 nan 0.000 0.440 396 Y N 6.318 126.392 120.300 -0.376 0.000 2.492 396 Y HA 0.604 5.154 4.550 0.000 0.000 0.346 396 Y C -1.420 174.341 175.900 -0.233 0.000 0.997 396 Y CA -1.205 56.817 58.100 -0.130 0.000 1.025 396 Y CB 2.207 40.766 38.460 0.166 0.000 1.263 396 Y HN 0.582 nan 8.280 nan 0.000 0.454 397 F N 2.634 122.559 119.950 -0.042 0.000 2.581 397 F HA 0.540 5.067 4.527 0.000 0.000 0.311 397 F C -0.408 175.294 175.800 -0.163 0.000 1.113 397 F CA -1.779 56.210 58.000 -0.017 0.000 0.935 397 F CB 0.914 39.972 39.000 0.097 0.000 1.232 397 F HN 0.741 nan 8.300 nan 0.000 0.445 398 C N 4.278 122.966 119.300 -1.020 0.000 2.409 398 C HA 0.413 4.873 4.460 0.000 0.000 0.399 398 C C 1.539 176.048 174.990 -0.803 0.000 1.505 398 C CA 0.038 58.391 59.018 -1.108 0.000 1.435 398 C CB -1.275 26.004 27.740 -0.768 0.000 2.462 398 C HN 1.020 nan 8.230 nan 0.000 0.619 399 A N 3.175 125.662 122.820 -0.554 0.000 2.119 399 A HA 0.339 4.659 4.320 0.000 0.000 0.217 399 A C 2.168 179.662 177.584 -0.150 0.000 1.153 399 A CA 1.319 53.221 52.037 -0.225 0.000 0.692 399 A CB -0.316 18.567 19.000 -0.194 0.000 0.799 399 A HN 1.578 nan 8.150 nan 0.000 0.458 400 A N -1.849 120.852 122.820 -0.198 0.000 2.387 400 A HA 0.464 4.784 4.320 0.000 0.000 0.234 400 A C 1.589 179.076 177.584 -0.162 0.000 1.253 400 A CA 0.917 52.880 52.037 -0.123 0.000 0.894 400 A CB -0.764 18.191 19.000 -0.075 0.000 0.963 400 A HN 1.714 nan 8.150 nan 0.000 0.508 401 G N -1.028 107.618 108.800 -0.256 0.000 2.155 401 G HA2 -0.111 3.849 3.960 0.000 0.000 0.257 401 G HA3 -0.111 3.849 3.960 0.000 0.000 0.257 401 G C 0.665 175.412 174.900 -0.255 0.000 0.983 401 G CA 0.267 45.213 45.100 -0.257 0.000 0.676 401 G HN 1.461 nan 8.290 nan 0.000 0.528 402 G N 0.138 108.784 108.800 -0.257 0.000 2.338 402 G HA2 0.583 4.543 3.960 0.000 0.000 0.295 402 G HA3 0.583 4.543 3.960 0.000 0.000 0.295 402 G C 0.494 175.244 174.900 -0.250 0.000 1.132 402 G CA -0.604 44.365 45.100 -0.217 0.000 0.922 402 G HN 0.590 nan 8.290 nan 0.000 0.427 403 L N 1.805 122.805 121.223 -0.372 0.000 2.452 403 L HA 0.441 4.781 4.340 0.000 0.000 0.267 403 L C 1.531 178.194 176.870 -0.345 0.000 1.188 403 L CA 0.778 55.347 54.840 -0.452 0.000 0.821 403 L CB 0.924 42.474 42.059 -0.848 0.000 1.102 403 L HN 0.831 nan 8.230 nan 0.000 0.470 404 G N 1.367 110.114 108.800 -0.089 0.000 2.179 404 G HA2 -0.315 3.645 3.960 0.000 0.000 0.220 404 G HA3 -0.315 3.645 3.960 0.000 0.000 0.220 404 G C 0.282 175.239 174.900 0.094 0.000 0.990 404 G CA 0.317 45.467 45.100 0.083 0.000 0.646 404 G HN 0.642 nan 8.290 nan 0.000 0.517 405 F N 1.762 121.668 119.950 -0.073 0.000 2.147 405 F HA 0.486 5.013 4.527 0.000 0.000 0.291 405 F C 2.507 178.287 175.800 -0.034 0.000 1.093 405 F CA 2.081 60.038 58.000 -0.071 0.000 1.263 405 F CB -0.426 38.495 39.000 -0.131 0.000 1.036 405 F HN 0.237 nan 8.300 nan 0.000 0.481 406 A N 0.919 123.682 122.820 -0.096 0.000 1.930 406 A HA -0.113 4.207 4.320 0.000 0.000 0.217 406 A C 2.304 179.806 177.584 -0.136 0.000 1.175 406 A CA 1.643 53.561 52.037 -0.198 0.000 0.627 406 A CB -1.259 17.779 19.000 0.062 0.000 0.815 406 A HN 0.584 nan 8.150 nan 0.000 0.443 407 L N 0.180 121.407 121.223 0.006 0.000 1.976 407 L HA -0.081 4.259 4.340 0.000 0.000 0.209 407 L C -0.409 176.513 176.870 0.086 0.000 1.071 407 L CA 1.906 56.829 54.840 0.137 0.000 0.746 407 L CB -0.757 41.357 42.059 0.092 0.000 0.890 407 L HN 0.259 nan 8.230 nan 0.000 0.432 408 P HA -0.143 nan 4.420 nan 0.000 0.216 408 P C 1.306 178.495 177.300 -0.184 0.000 1.153 408 P CA 1.950 65.008 63.100 -0.069 0.000 0.844 408 P CB -0.094 31.562 31.700 -0.075 0.000 0.787 409 A N 0.762 123.328 122.820 -0.423 0.000 1.933 409 A HA -0.079 4.241 4.320 0.000 0.000 0.218 409 A C 2.494 179.852 177.584 -0.377 0.000 1.175 409 A CA 2.129 53.816 52.037 -0.584 0.000 0.628 409 A CB -1.551 16.627 19.000 -1.370 0.000 0.814 409 A HN 0.232 nan 8.150 nan 0.000 0.444 410 A N -0.122 122.540 122.820 -0.263 0.000 1.972 410 A HA -0.064 4.256 4.320 0.000 0.000 0.219 410 A C 2.064 179.569 177.584 -0.132 0.000 1.169 410 A CA 1.476 53.402 52.037 -0.185 0.000 0.635 410 A CB -0.562 18.342 19.000 -0.161 0.000 0.810 410 A HN 0.532 nan 8.150 nan 0.000 0.446 411 I N -0.586 119.959 120.570 -0.041 0.000 2.286 411 I HA -0.143 4.027 4.170 0.000 0.000 0.245 411 I C 2.702 178.817 176.117 -0.004 0.000 1.104 411 I CA 1.073 62.384 61.300 0.018 0.000 1.397 411 I CB -0.642 37.419 38.000 0.102 0.000 1.072 411 I HN 0.372 nan 8.210 nan 0.000 0.417 412 G N 0.610 109.379 108.800 -0.052 0.000 2.422 412 G HA2 -0.161 3.799 3.960 0.000 0.000 0.218 412 G HA3 -0.161 3.799 3.960 0.000 0.000 0.218 412 G C 1.724 176.642 174.900 0.030 0.000 1.146 412 G CA 0.756 45.854 45.100 -0.003 0.000 0.769 412 G HN 0.221 nan 8.290 nan 0.000 0.547 413 V N 0.583 120.425 119.914 -0.120 0.000 2.295 413 V HA -0.231 3.889 4.120 0.000 0.000 0.246 413 V C 2.774 178.833 176.094 -0.059 0.000 1.049 413 V CA 2.293 64.504 62.300 -0.148 0.000 1.024 413 V CB -0.460 31.218 31.823 -0.242 0.000 0.648 413 V HN 0.435 nan 8.190 nan 0.000 0.447 414 Q N -0.216 119.553 119.800 -0.052 0.000 2.124 414 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 414 Q C 1.940 177.956 176.000 0.026 0.000 0.977 414 Q CA 1.714 57.498 55.803 -0.032 0.000 0.850 414 Q CB -0.518 28.184 28.738 -0.060 0.000 0.901 414 Q HN 0.549 nan 8.270 nan 0.000 0.429 415 L N -0.094 121.181 121.223 0.086 0.000 2.046 415 L HA -0.040 4.300 4.340 0.000 0.000 0.208 415 L C 2.030 179.047 176.870 0.245 0.000 1.077 415 L CA 2.154 57.094 54.840 0.167 0.000 0.747 415 L CB -0.882 41.295 42.059 0.197 0.000 0.896 415 L HN 0.253 nan 8.230 nan 0.000 0.432 416 A N -1.588 121.352 122.820 0.199 0.000 1.968 416 A HA -0.044 4.276 4.320 0.000 0.000 0.217 416 A C 1.189 178.751 177.584 -0.036 0.000 1.169 416 A CA 1.104 53.117 52.037 -0.040 0.000 0.638 416 A CB -0.216 18.596 19.000 -0.313 0.000 0.812 416 A HN 0.449 nan 8.150 nan 0.000 0.446 417 E N -0.478 119.713 120.200 -0.015 0.000 3.568 417 E HA 0.164 4.514 4.350 0.000 0.000 0.213 417 E C -2.166 174.426 176.600 -0.013 0.000 1.197 417 E CA -1.602 54.785 56.400 -0.021 0.000 1.126 417 E CB 0.840 30.523 29.700 -0.027 0.000 1.285 417 E HN 0.389 nan 8.360 nan 0.000 0.418 418 P HA -0.112 nan 4.420 nan 0.000 0.225 418 P C 0.702 177.995 177.300 -0.013 0.000 1.148 418 P CA 0.948 64.049 63.100 0.001 0.000 0.779 418 P CB 0.604 32.313 31.700 0.014 0.000 0.780 419 E N -0.437 119.753 120.200 -0.016 0.000 2.474 419 E HA 0.078 4.429 4.350 0.000 0.000 0.194 419 E C 0.634 177.214 176.600 -0.033 0.000 1.041 419 E CA 0.205 56.592 56.400 -0.022 0.000 0.874 419 E CB 0.158 29.847 29.700 -0.018 0.000 0.914 419 E HN 0.402 nan 8.360 nan 0.000 0.498 420 R N 1.376 121.852 120.500 -0.040 0.000 2.343 420 R HA 0.233 4.573 4.340 0.000 0.000 0.320 420 R C -0.205 176.047 176.300 -0.080 0.000 0.956 420 R CA -0.719 55.347 56.100 -0.057 0.000 0.836 420 R CB 1.210 31.480 30.300 -0.051 0.000 1.151 420 R HN -0.144 nan 8.270 nan 0.000 0.450 421 Q N 2.528 122.269 119.800 -0.099 0.000 2.271 421 Q HA 0.101 4.441 4.340 0.000 0.000 0.273 421 Q C -0.834 175.058 176.000 -0.181 0.000 1.051 421 Q CA 0.133 55.862 55.803 -0.123 0.000 0.901 421 Q CB 0.929 29.598 28.738 -0.116 0.000 1.174 421 Q HN 0.384 nan 8.270 nan 0.000 0.385 422 V N 6.812 126.620 119.914 -0.177 0.000 2.465 422 V HA 0.394 4.514 4.120 0.000 0.000 0.279 422 V C 0.123 176.069 176.094 -0.247 0.000 1.045 422 V CA -0.376 61.798 62.300 -0.210 0.000 0.938 422 V CB 0.964 32.678 31.823 -0.182 0.000 0.986 422 V HN 0.724 nan 8.190 nan 0.000 0.467 423 I N 4.285 124.708 120.570 -0.245 0.000 2.468 423 I HA 0.588 4.758 4.170 0.000 0.000 0.284 423 I C 0.117 176.210 176.117 -0.040 0.000 1.038 423 I CA -0.506 60.700 61.300 -0.157 0.000 1.083 423 I CB 1.716 39.654 38.000 -0.103 0.000 1.223 423 I HN 0.636 nan 8.210 nan 0.000 0.443 424 A N 6.621 129.393 122.820 -0.080 0.000 2.260 424 A HA 0.703 5.023 4.320 0.000 0.000 0.308 424 A C -0.396 177.258 177.584 0.116 0.000 1.254 424 A CA -0.425 51.628 52.037 0.025 0.000 0.874 424 A CB 0.783 19.777 19.000 -0.009 0.000 1.153 424 A HN 0.460 nan 8.150 nan 0.000 0.527 425 V N 5.009 125.025 119.914 0.171 0.000 2.311 425 V HA 0.384 4.504 4.120 0.000 0.000 0.275 425 V C -0.279 175.920 176.094 0.175 0.000 1.022 425 V CA 0.064 62.476 62.300 0.186 0.000 0.830 425 V CB 0.274 32.269 31.823 0.287 0.000 1.012 425 V HN 0.722 nan 8.190 nan 0.000 0.452 426 I N 3.643 124.289 120.570 0.127 0.000 2.498 426 I HA 0.567 4.737 4.170 0.000 0.000 0.290 426 I C 0.933 177.088 176.117 0.062 0.000 1.032 426 I CA -0.528 60.842 61.300 0.117 0.000 1.073 426 I CB 2.058 40.130 38.000 0.119 0.000 1.251 426 I HN 0.649 nan 8.210 nan 0.000 0.426 427 G N 2.956 111.818 108.800 0.104 0.000 2.594 427 G HA2 0.047 4.007 3.960 0.000 0.000 0.243 427 G HA3 0.047 4.007 3.960 0.000 0.000 0.243 427 G C 0.831 175.750 174.900 0.033 0.000 1.229 427 G CA -0.243 44.909 45.100 0.086 0.000 0.843 427 G HN 0.829 nan 8.290 nan 0.000 0.578 428 D N 0.530 120.925 120.400 -0.008 0.000 2.178 428 D HA -0.112 4.528 4.640 0.000 0.000 0.201 428 D C 2.151 178.610 176.300 0.266 0.000 0.980 428 D CA 1.356 55.348 54.000 -0.013 0.000 0.842 428 D CB -0.837 40.044 40.800 0.136 0.000 0.948 428 D HN 0.466 nan 8.370 nan 0.000 0.472 429 G N 0.484 109.466 108.800 0.302 0.000 2.414 429 G HA2 -0.236 3.724 3.960 0.000 0.000 0.215 429 G HA3 -0.236 3.724 3.960 0.000 0.000 0.215 429 G C 1.867 177.102 174.900 0.559 0.000 1.188 429 G CA 1.091 46.487 45.100 0.492 0.000 0.783 429 G HN 0.353 nan 8.290 nan 0.000 0.537 430 S N 1.128 117.107 115.700 0.466 0.000 2.399 430 S HA -0.009 4.461 4.470 0.000 0.000 0.231 430 S C 2.703 177.550 174.600 0.412 0.000 1.022 430 S CA 1.071 59.538 58.200 0.445 0.000 0.983 430 S CB -0.316 63.021 63.200 0.228 0.000 0.803 430 S HN 0.587 nan 8.310 nan 0.000 0.480 431 A N 2.598 125.590 122.820 0.286 0.000 2.024 431 A HA -0.140 4.180 4.320 0.000 0.000 0.220 431 A C 1.861 179.611 177.584 0.277 0.000 1.164 431 A CA 1.300 53.476 52.037 0.231 0.000 0.643 431 A CB -0.481 18.600 19.000 0.136 0.000 0.806 431 A HN 0.503 nan 8.150 nan 0.000 0.451 432 N N -1.248 117.626 118.700 0.289 0.000 2.331 432 N HA -0.121 4.619 4.740 0.000 0.000 0.180 432 N C 1.395 176.960 175.510 0.091 0.000 1.019 432 N CA 1.289 54.429 53.050 0.149 0.000 0.881 432 N CB -0.440 38.069 38.487 0.038 0.000 0.972 432 N HN 0.645 nan 8.380 nan 0.000 0.435 433 Y N 1.342 121.717 120.300 0.124 0.000 2.165 433 Y HA -0.046 4.504 4.550 0.000 0.000 0.286 433 Y C 1.555 177.496 175.900 0.067 0.000 1.155 433 Y CA 0.971 59.126 58.100 0.091 0.000 1.164 433 Y CB 0.026 38.535 38.460 0.082 0.000 0.978 433 Y HN -0.080 nan 8.280 nan 0.000 0.513 434 S N -0.698 115.126 115.700 0.206 0.000 2.751 434 S HA 0.135 4.605 4.470 0.000 0.000 0.247 434 S C 1.168 175.802 174.600 0.056 0.000 1.103 434 S CA -0.308 57.957 58.200 0.108 0.000 1.090 434 S CB -0.110 63.142 63.200 0.087 0.000 0.928 434 S HN 0.218 nan 8.310 nan 0.000 0.502 435 I N 2.851 123.468 120.570 0.077 0.000 2.264 435 I HA -0.187 3.983 4.170 0.000 0.000 0.248 435 I C 2.313 178.406 176.117 -0.040 0.000 1.111 435 I CA 1.738 63.081 61.300 0.072 0.000 1.382 435 I CB -0.253 37.840 38.000 0.155 0.000 1.060 435 I HN 0.461 nan 8.210 nan 0.000 0.418 436 S N 0.394 116.024 115.700 -0.116 0.000 2.507 436 S HA 0.018 4.488 4.470 0.000 0.000 0.235 436 S C 2.154 176.520 174.600 -0.391 0.000 0.988 436 S CA 0.541 58.444 58.200 -0.495 0.000 0.944 436 S CB -0.818 62.203 63.200 -0.299 0.000 0.762 436 S HN 0.471 nan 8.310 nan 0.000 0.526 437 A N 2.169 124.891 122.820 -0.164 0.000 2.019 437 A HA 0.106 4.426 4.320 0.000 0.000 0.219 437 A C 2.158 179.701 177.584 -0.068 0.000 1.164 437 A CA 1.203 53.203 52.037 -0.062 0.000 0.644 437 A CB -0.850 18.137 19.000 -0.021 0.000 0.805 437 A HN 0.575 nan 8.150 nan 0.000 0.449 438 L N -2.546 118.571 121.223 -0.177 0.000 2.089 438 L HA -0.261 4.079 4.340 0.000 0.000 0.213 438 L C 2.444 179.319 176.870 0.008 0.000 1.079 438 L CA 1.821 56.567 54.840 -0.157 0.000 0.758 438 L CB -0.487 41.495 42.059 -0.128 0.000 0.891 438 L HN 0.780 nan 8.230 nan 0.000 0.433 439 W N 0.809 121.964 121.300 -0.242 0.000 2.342 439 W HA -0.219 4.441 4.660 0.000 0.000 0.297 439 W C 2.508 179.034 176.519 0.012 0.000 1.213 439 W CA 2.077 59.369 57.345 -0.088 0.000 1.251 439 W CB -0.261 29.080 29.460 -0.199 0.000 1.136 439 W HN -0.025 nan 8.180 nan 0.000 0.526 440 T N 0.373 115.042 114.554 0.191 0.000 2.788 440 T HA -0.183 4.167 4.350 0.000 0.000 0.268 440 T C 1.964 176.723 174.700 0.099 0.000 1.044 440 T CA 1.840 64.042 62.100 0.170 0.000 1.139 440 T CB -0.858 68.174 68.868 0.273 0.000 0.867 440 T HN 0.245 nan 8.240 nan 0.000 0.454 441 A N 1.469 124.346 122.820 0.095 0.000 1.902 441 A HA 0.118 4.439 4.320 0.000 0.000 0.217 441 A C 2.630 180.226 177.584 0.020 0.000 1.181 441 A CA 1.877 53.985 52.037 0.117 0.000 0.623 441 A CB -1.085 18.059 19.000 0.240 0.000 0.818 441 A HN 0.509 nan 8.150 nan 0.000 0.443 442 A N -1.287 121.488 122.820 -0.076 0.000 1.873 442 A HA -0.164 4.156 4.320 0.000 0.000 0.215 442 A C 2.146 179.552 177.584 -0.297 0.000 1.186 442 A CA 1.609 53.557 52.037 -0.149 0.000 0.616 442 A CB -0.484 18.427 19.000 -0.150 0.000 0.823 442 A HN 0.477 nan 8.150 nan 0.000 0.442 443 Q N -1.286 118.164 119.800 -0.584 0.000 2.119 443 Q HA -0.139 4.201 4.340 0.000 0.000 0.201 443 Q C 1.323 176.940 176.000 -0.638 0.000 0.972 443 Q CA 1.509 56.836 55.803 -0.793 0.000 0.847 443 Q CB -0.318 27.558 28.738 -1.436 0.000 0.903 443 Q HN 0.883 nan 8.270 nan 0.000 0.433 444 Y N -0.104 120.065 120.300 -0.220 0.000 2.457 444 Y HA 0.107 4.657 4.550 0.000 0.000 0.263 444 Y C 0.453 176.306 175.900 -0.077 0.000 1.164 444 Y CA -0.261 57.767 58.100 -0.119 0.000 1.274 444 Y CB 0.020 38.428 38.460 -0.085 0.000 1.097 444 Y HN 0.126 nan 8.280 nan 0.000 0.523 445 N N 1.234 119.938 118.700 0.007 0.000 2.714 445 N HA -0.225 4.515 4.740 0.000 0.000 0.253 445 N C -1.098 174.438 175.510 0.044 0.000 1.024 445 N CA 0.289 53.345 53.050 0.010 0.000 0.726 445 N CB -1.309 37.175 38.487 -0.006 0.000 0.908 445 N HN 0.377 nan 8.380 nan 0.000 0.542 446 I N 1.190 121.800 120.570 0.067 0.000 2.301 446 I HA 0.213 4.383 4.170 0.000 0.000 0.292 446 I C -1.463 174.678 176.117 0.040 0.000 1.046 446 I CA -1.788 59.547 61.300 0.059 0.000 1.282 446 I CB 1.188 39.235 38.000 0.078 0.000 1.409 446 I HN 0.083 nan 8.210 nan 0.000 0.484 447 P HA 0.085 nan 4.420 nan 0.000 0.220 447 P C -0.113 177.145 177.300 -0.071 0.000 1.793 447 P CA -0.281 62.813 63.100 -0.009 0.000 0.917 447 P CB -0.452 31.240 31.700 -0.013 0.000 1.755 448 T N 1.446 115.926 114.554 -0.123 0.000 2.940 448 T HA 0.158 4.508 4.350 0.000 0.000 0.309 448 T C 0.800 175.233 174.700 -0.445 0.000 1.056 448 T CA 0.538 62.423 62.100 -0.358 0.000 1.137 448 T CB 0.508 69.038 68.868 -0.562 0.000 0.976 448 T HN 0.094 nan 8.240 nan 0.000 0.547 449 I N 2.966 123.265 120.570 -0.453 0.000 2.354 449 I HA 0.367 4.537 4.170 0.000 0.000 0.292 449 I C -0.698 175.157 176.117 -0.436 0.000 0.989 449 I CA -0.623 60.498 61.300 -0.298 0.000 1.188 449 I CB 0.880 38.804 38.000 -0.127 0.000 1.342 449 I HN 0.500 nan 8.210 nan 0.000 0.457 450 F N 5.727 125.690 119.950 0.021 0.000 2.388 450 F HA 0.421 4.948 4.527 0.000 0.000 0.358 450 F C -0.017 175.791 175.800 0.014 0.000 1.122 450 F CA -0.887 57.125 58.000 0.021 0.000 1.056 450 F CB 1.403 40.419 39.000 0.027 0.000 1.155 450 F HN 0.018 nan 8.300 nan 0.000 0.461 451 V N 5.655 125.657 119.914 0.148 0.000 2.311 451 V HA 0.307 4.427 4.120 0.000 0.000 0.275 451 V C -0.041 176.074 176.094 0.035 0.000 1.022 451 V CA -0.589 61.757 62.300 0.077 0.000 0.830 451 V CB 0.801 32.659 31.823 0.058 0.000 1.012 451 V HN 0.425 nan 8.190 nan 0.000 0.452 452 I N 5.979 126.528 120.570 -0.035 0.000 2.312 452 I HA 0.345 4.515 4.170 0.000 0.000 0.291 452 I C 0.247 176.273 176.117 -0.150 0.000 1.031 452 I CA -0.521 60.674 61.300 -0.174 0.000 1.293 452 I CB 1.415 39.147 38.000 -0.448 0.000 1.403 452 I HN 0.448 nan 8.210 nan 0.000 0.484 453 M N 5.693 125.227 119.600 -0.110 0.000 2.497 453 M HA 0.138 4.618 4.480 0.000 0.000 0.336 453 M C 0.167 176.431 176.300 -0.061 0.000 1.378 453 M CA -0.104 55.155 55.300 -0.068 0.000 1.375 453 M CB -0.782 31.805 32.600 -0.021 0.000 1.337 453 M HN 0.351 nan 8.290 nan 0.000 0.461 454 N N 3.612 122.281 118.700 -0.052 0.000 2.558 454 N HA 0.118 4.858 4.740 0.000 0.000 0.233 454 N C 0.228 175.762 175.510 0.039 0.000 1.038 454 N CA -0.093 52.961 53.050 0.007 0.000 0.934 454 N CB 0.368 38.895 38.487 0.066 0.000 1.175 454 N HN 0.433 nan 8.380 nan 0.000 0.512 455 N N 2.238 120.969 118.700 0.053 0.000 2.205 455 N HA 0.149 4.889 4.740 0.000 0.000 0.201 455 N C 1.032 176.580 175.510 0.063 0.000 1.128 455 N CA 0.286 53.370 53.050 0.055 0.000 0.867 455 N CB -0.000 38.526 38.487 0.066 0.000 0.996 455 N HN 0.445 nan 8.380 nan 0.000 0.503 456 G N -1.283 107.560 108.800 0.072 0.000 2.168 456 G HA2 -0.261 3.699 3.960 0.000 0.000 0.263 456 G HA3 -0.261 3.699 3.960 0.000 0.000 0.263 456 G C 0.018 174.927 174.900 0.014 0.000 0.977 456 G CA 0.889 46.019 45.100 0.051 0.000 0.659 456 G HN 0.788 nan 8.290 nan 0.000 0.533 457 T N -1.659 112.914 114.554 0.031 0.000 2.843 457 T HA 0.531 4.881 4.350 0.000 0.000 0.302 457 T C -1.056 173.707 174.700 0.105 0.000 1.232 457 T CA -0.577 61.537 62.100 0.024 0.000 1.009 457 T CB 0.875 69.794 68.868 0.085 0.000 1.254 457 T HN 0.273 nan 8.240 nan 0.000 0.504 458 Y N 2.692 123.081 120.300 0.148 0.000 2.623 458 Y HA 0.300 4.850 4.550 0.000 0.000 0.341 458 Y C 1.692 177.700 175.900 0.179 0.000 1.292 458 Y CA -0.506 57.696 58.100 0.169 0.000 1.840 458 Y CB -0.351 38.214 38.460 0.174 0.000 1.865 458 Y HN 0.832 nan 8.280 nan 0.000 0.440 459 G N 1.150 110.136 108.800 0.311 0.000 2.440 459 G HA2 -0.294 3.666 3.960 0.000 0.000 0.218 459 G HA3 -0.294 3.666 3.960 0.000 0.000 0.218 459 G C 1.820 176.901 174.900 0.302 0.000 1.154 459 G CA 0.903 46.161 45.100 0.263 0.000 0.767 459 G HN 0.615 nan 8.290 nan 0.000 0.552 460 A N 0.337 123.323 122.820 0.277 0.000 1.972 460 A HA 0.136 4.456 4.320 0.000 0.000 0.219 460 A C 2.405 180.227 177.584 0.397 0.000 1.169 460 A CA 1.157 53.366 52.037 0.287 0.000 0.635 460 A CB -0.273 18.850 19.000 0.204 0.000 0.810 460 A HN 0.380 nan 8.150 nan 0.000 0.446 461 L N -1.589 119.845 121.223 0.352 0.000 2.131 461 L HA -0.080 4.260 4.340 0.000 0.000 0.206 461 L C 2.799 179.880 176.870 0.353 0.000 1.087 461 L CA 0.961 56.021 54.840 0.366 0.000 0.767 461 L CB -0.493 41.740 42.059 0.290 0.000 0.917 461 L HN 0.332 nan 8.230 nan 0.000 0.441 462 R N -0.685 120.007 120.500 0.319 0.000 2.081 462 R HA -0.223 4.117 4.340 0.000 0.000 0.235 462 R C 2.132 178.589 176.300 0.261 0.000 1.131 462 R CA 1.969 58.217 56.100 0.246 0.000 0.960 462 R CB -0.409 30.024 30.300 0.223 0.000 0.856 462 R HN 0.384 nan 8.270 nan 0.000 0.436 463 W N 0.581 121.982 121.300 0.168 0.000 2.355 463 W HA -0.259 4.401 4.660 0.000 0.000 0.309 463 W C 1.919 178.556 176.519 0.198 0.000 1.206 463 W CA 1.407 58.848 57.345 0.159 0.000 1.284 463 W CB -0.506 29.048 29.460 0.156 0.000 1.145 463 W HN 0.009 nan 8.180 nan 0.000 0.502 464 F N 1.322 121.427 119.950 0.258 0.000 2.134 464 F HA -0.112 4.415 4.527 0.000 0.000 0.299 464 F C 2.242 177.992 175.800 -0.084 0.000 1.097 464 F CA 2.313 60.337 58.000 0.041 0.000 1.264 464 F CB -1.205 37.930 39.000 0.226 0.000 1.001 464 F HN -0.062 nan 8.300 nan 0.000 0.479 465 A N 0.216 122.985 122.820 -0.085 0.000 1.940 465 A HA -0.068 4.252 4.320 0.000 0.000 0.219 465 A C 2.527 179.975 177.584 -0.227 0.000 1.176 465 A CA 1.726 53.636 52.037 -0.212 0.000 0.631 465 A CB -1.776 17.194 19.000 -0.049 0.000 0.814 465 A HN 0.508 nan 8.150 nan 0.000 0.446 466 G N -0.600 108.084 108.800 -0.193 0.000 2.402 466 G HA2 -0.091 3.869 3.960 0.000 0.000 0.216 466 G HA3 -0.091 3.869 3.960 0.000 0.000 0.216 466 G C 1.495 176.206 174.900 -0.315 0.000 1.162 466 G CA 1.145 46.113 45.100 -0.220 0.000 0.777 466 G HN 0.316 nan 8.290 nan 0.000 0.539 467 V N 1.106 120.733 119.914 -0.479 0.000 2.332 467 V HA -0.147 3.973 4.120 0.000 0.000 0.248 467 V C 2.826 178.736 176.094 -0.306 0.000 1.055 467 V CA 1.437 63.474 62.300 -0.439 0.000 1.038 467 V CB -0.392 31.106 31.823 -0.541 0.000 0.651 467 V HN 0.349 nan 8.190 nan 0.000 0.450 468 L N -0.539 120.460 121.223 -0.372 0.000 2.376 468 L HA -0.025 4.315 4.340 0.000 0.000 0.219 468 L C 1.147 177.889 176.870 -0.213 0.000 1.133 468 L CA 0.679 55.328 54.840 -0.320 0.000 0.816 468 L CB -0.645 41.128 42.059 -0.477 0.000 0.933 468 L HN 0.462 nan 8.230 nan 0.000 0.449 469 E N -0.989 119.095 120.200 -0.193 0.000 2.476 469 E HA -0.221 4.129 4.350 0.000 0.000 0.251 469 E C 0.276 176.804 176.600 -0.119 0.000 1.130 469 E CA 0.217 56.537 56.400 -0.132 0.000 0.736 469 E CB -1.401 28.237 29.700 -0.103 0.000 1.298 469 E HN 0.502 nan 8.360 nan 0.000 0.400 470 A N 1.406 124.139 122.820 -0.145 0.000 2.354 470 A HA 0.353 4.673 4.320 0.000 0.000 0.281 470 A C 0.332 177.872 177.584 -0.073 0.000 1.174 470 A CA -0.136 51.831 52.037 -0.117 0.000 0.828 470 A CB 0.455 19.362 19.000 -0.156 0.000 1.099 470 A HN 0.233 nan 8.150 nan 0.000 0.516 471 E N 1.706 121.876 120.200 -0.050 0.000 2.232 471 E HA 0.319 4.669 4.350 0.000 0.000 0.265 471 E C -0.366 176.225 176.600 -0.016 0.000 1.001 471 E CA -1.084 55.299 56.400 -0.029 0.000 0.870 471 E CB 0.637 30.322 29.700 -0.025 0.000 1.175 471 E HN 0.672 nan 8.360 nan 0.000 0.407 472 N N -0.152 118.546 118.700 -0.004 0.000 2.740 472 N HA -0.152 4.588 4.740 0.000 0.000 0.248 472 N C -1.121 174.397 175.510 0.013 0.000 1.062 472 N CA 0.409 53.462 53.050 0.006 0.000 0.704 472 N CB -1.210 37.278 38.487 0.002 0.000 0.968 472 N HN 0.137 nan 8.380 nan 0.000 0.547 473 V N 1.891 121.817 119.914 0.020 0.000 2.408 473 V HA 0.298 4.418 4.120 0.000 0.000 0.267 473 V C -0.882 175.245 176.094 0.055 0.000 1.047 473 V CA -0.923 61.399 62.300 0.037 0.000 0.937 473 V CB 1.157 33.006 31.823 0.043 0.000 0.999 473 V HN 0.145 nan 8.190 nan 0.000 0.472 474 P HA 0.410 nan 4.420 nan 0.000 0.278 474 P C 0.649 178.008 177.300 0.099 0.000 1.266 474 P CA 0.253 63.393 63.100 0.066 0.000 0.807 474 P CB 1.124 32.857 31.700 0.056 0.000 1.094 475 G N 0.004 108.865 108.800 0.102 0.000 2.143 475 G HA2 -0.224 3.736 3.960 0.000 0.000 0.248 475 G HA3 -0.224 3.736 3.960 0.000 0.000 0.248 475 G C 0.493 175.529 174.900 0.228 0.000 0.991 475 G CA 0.312 45.499 45.100 0.146 0.000 0.689 475 G HN 0.480 nan 8.290 nan 0.000 0.522 476 L N -0.569 120.762 121.223 0.180 0.000 2.585 476 L HA 0.291 4.631 4.340 0.000 0.000 0.226 476 L C 0.189 177.112 176.870 0.088 0.000 1.113 476 L CA 0.057 55.048 54.840 0.251 0.000 0.876 476 L CB 0.059 42.250 42.059 0.220 0.000 1.072 476 L HN 0.082 nan 8.230 nan 0.000 0.468 477 D N 0.441 120.831 120.400 -0.016 0.000 2.248 477 D HA 0.324 4.964 4.640 0.000 0.000 0.246 477 D C 0.079 176.268 176.300 -0.185 0.000 1.027 477 D CA -0.093 53.855 54.000 -0.087 0.000 0.853 477 D CB 3.031 43.820 40.800 -0.018 0.000 1.243 477 D HN -0.193 nan 8.370 nan 0.000 0.462 478 V N -0.750 119.036 119.914 -0.213 0.000 2.572 478 V HA 0.353 4.473 4.120 0.000 0.000 0.274 478 V C -2.488 173.557 176.094 -0.082 0.000 1.075 478 V CA -1.401 60.781 62.300 -0.198 0.000 1.237 478 V CB 0.277 31.907 31.823 -0.321 0.000 1.517 478 V HN 0.296 nan 8.190 nan 0.000 0.616 479 P HA 0.367 nan 4.420 nan 0.000 0.272 479 P C 0.909 178.182 177.300 -0.044 0.000 1.240 479 P CA 1.342 64.425 63.100 -0.029 0.000 0.791 479 P CB 1.097 32.784 31.700 -0.022 0.000 0.978 480 G N 0.371 109.145 108.800 -0.042 0.000 2.149 480 G HA2 -0.182 3.778 3.960 0.000 0.000 0.235 480 G HA3 -0.182 3.778 3.960 0.000 0.000 0.235 480 G C -0.163 174.665 174.900 -0.121 0.000 1.018 480 G CA -0.217 44.844 45.100 -0.066 0.000 0.728 480 G HN 0.486 nan 8.290 nan 0.000 0.508 481 I N 0.627 121.094 120.570 -0.172 0.000 2.362 481 I HA 0.336 4.506 4.170 0.000 0.000 0.289 481 I C -0.633 175.214 176.117 -0.449 0.000 0.994 481 I CA -0.834 60.231 61.300 -0.393 0.000 1.158 481 I CB 1.779 39.422 38.000 -0.595 0.000 1.315 481 I HN 0.034 nan 8.210 nan 0.000 0.451 482 D N 6.258 126.423 120.400 -0.391 0.000 2.467 482 D HA 0.221 4.861 4.640 0.000 0.000 0.220 482 D C 0.476 176.620 176.300 -0.259 0.000 1.103 482 D CA -0.338 53.527 54.000 -0.225 0.000 0.886 482 D CB 0.567 41.298 40.800 -0.115 0.000 1.025 482 D HN 0.294 nan 8.370 nan 0.000 0.514 483 F N 1.953 121.910 119.950 0.012 0.000 2.325 483 F HA 0.059 4.586 4.527 0.000 0.000 0.299 483 F C 2.377 178.189 175.800 0.019 0.000 1.090 483 F CA 0.461 58.473 58.000 0.020 0.000 1.392 483 F CB -0.003 39.017 39.000 0.032 0.000 1.053 483 F HN 0.251 nan 8.300 nan 0.000 0.521 484 R N 0.126 120.723 120.500 0.162 0.000 2.092 484 R HA -0.090 4.250 4.340 0.000 0.000 0.231 484 R C 2.444 178.774 176.300 0.049 0.000 1.119 484 R CA 1.135 57.295 56.100 0.099 0.000 0.970 484 R CB -0.704 29.641 30.300 0.075 0.000 0.864 484 R HN 0.287 nan 8.270 nan 0.000 0.440 485 A N 1.283 124.109 122.820 0.008 0.000 1.898 485 A HA -0.095 4.225 4.320 0.000 0.000 0.216 485 A C 2.177 179.736 177.584 -0.042 0.000 1.181 485 A CA 0.995 53.014 52.037 -0.029 0.000 0.620 485 A CB -0.449 18.516 19.000 -0.058 0.000 0.819 485 A HN 0.149 nan 8.150 nan 0.000 0.442 486 L N -0.712 120.489 121.223 -0.037 0.000 2.046 486 L HA -0.212 4.128 4.340 0.000 0.000 0.208 486 L C 3.125 180.021 176.870 0.043 0.000 1.077 486 L CA 1.127 55.955 54.840 -0.020 0.000 0.747 486 L CB -0.666 41.409 42.059 0.027 0.000 0.896 486 L HN 0.437 nan 8.230 nan 0.000 0.432 487 A N 0.276 123.148 122.820 0.087 0.000 1.883 487 A HA -0.283 4.037 4.320 0.000 0.000 0.217 487 A C 2.410 180.040 177.584 0.078 0.000 1.186 487 A CA 2.166 54.263 52.037 0.100 0.000 0.624 487 A CB -0.544 18.515 19.000 0.098 0.000 0.822 487 A HN 0.356 nan 8.150 nan 0.000 0.444 488 K N -0.626 119.796 120.400 0.038 0.000 2.063 488 K HA -0.142 4.178 4.320 0.000 0.000 0.208 488 K C 2.021 178.614 176.600 -0.011 0.000 1.048 488 K CA 1.535 57.834 56.287 0.019 0.000 0.928 488 K CB -0.629 31.872 32.500 0.002 0.000 0.713 488 K HN 0.391 nan 8.250 nan 0.000 0.442 489 G N -0.228 108.520 108.800 -0.087 0.000 2.469 489 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 489 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 489 G C 0.737 175.490 174.900 -0.245 0.000 1.136 489 G CA 0.988 45.946 45.100 -0.237 0.000 0.759 489 G HN 0.376 nan 8.290 nan 0.000 0.562 490 Y N 0.019 120.379 120.300 0.100 0.000 2.555 490 Y HA 0.413 4.963 4.550 0.000 0.000 0.259 490 Y C 1.813 177.799 175.900 0.143 0.000 1.179 490 Y CA -0.715 57.500 58.100 0.191 0.000 1.230 490 Y CB 0.374 38.946 38.460 0.187 0.000 1.146 490 Y HN 0.291 nan 8.280 nan 0.000 0.526 491 G N 0.195 109.106 108.800 0.183 0.000 2.136 491 G HA2 -0.226 3.734 3.960 0.000 0.000 0.242 491 G HA3 -0.226 3.734 3.960 0.000 0.000 0.242 491 G C -0.396 174.547 174.900 0.072 0.000 0.989 491 G CA 0.170 45.331 45.100 0.101 0.000 0.682 491 G HN 0.109 nan 8.290 nan 0.000 0.522 492 V N 1.036 121.006 119.914 0.094 0.000 2.435 492 V HA 0.448 4.568 4.120 0.000 0.000 0.290 492 V C 0.914 177.058 176.094 0.083 0.000 1.030 492 V CA -0.542 61.812 62.300 0.090 0.000 0.881 492 V CB 1.804 33.689 31.823 0.104 0.000 0.983 492 V HN 0.536 nan 8.190 nan 0.000 0.445 493 Q N 2.823 122.670 119.800 0.077 0.000 2.304 493 Q HA 0.346 4.686 4.340 0.000 0.000 0.301 493 Q C -0.220 175.830 176.000 0.083 0.000 1.063 493 Q CA 0.224 56.068 55.803 0.068 0.000 0.947 493 Q CB 0.669 29.442 28.738 0.059 0.000 1.201 493 Q HN 0.940 nan 8.270 nan 0.000 0.389 494 A N 5.259 128.122 122.820 0.071 0.000 2.356 494 A HA 0.715 5.035 4.320 0.000 0.000 0.310 494 A C -1.361 176.263 177.584 0.066 0.000 1.075 494 A CA -0.713 51.371 52.037 0.079 0.000 0.746 494 A CB 1.047 20.093 19.000 0.076 0.000 1.221 494 A HN 0.740 nan 8.150 nan 0.000 0.443 495 L N 1.061 122.326 121.223 0.070 0.000 2.333 495 L HA 0.639 4.979 4.340 0.000 0.000 0.263 495 L C -0.069 176.836 176.870 0.059 0.000 1.014 495 L CA -0.749 54.125 54.840 0.056 0.000 0.820 495 L CB 2.472 44.561 42.059 0.050 0.000 1.352 495 L HN 0.730 nan 8.230 nan 0.000 0.421 496 K N 0.736 121.164 120.400 0.048 0.000 2.259 496 K HA 0.840 5.160 4.320 0.000 0.000 0.249 496 K C -1.276 175.343 176.600 0.032 0.000 0.942 496 K CA -0.624 55.690 56.287 0.046 0.000 0.816 496 K CB 2.231 34.758 32.500 0.044 0.000 1.155 496 K HN 0.681 nan 8.250 nan 0.000 0.428 497 A N 2.779 125.615 122.820 0.026 0.000 2.522 497 A HA 0.282 4.602 4.320 0.000 0.000 0.285 497 A C -0.807 176.782 177.584 0.009 0.000 1.198 497 A CA -0.574 51.472 52.037 0.015 0.000 0.742 497 A CB 0.600 19.605 19.000 0.008 0.000 1.176 497 A HN 0.776 nan 8.150 nan 0.000 0.444 498 D N 0.950 121.355 120.400 0.009 0.000 2.367 498 D HA 0.079 4.719 4.640 0.000 0.000 0.207 498 D C 0.185 176.483 176.300 -0.004 0.000 1.034 498 D CA 1.068 55.071 54.000 0.004 0.000 0.861 498 D CB 0.441 41.247 40.800 0.009 0.000 0.943 498 D HN 0.786 nan 8.370 nan 0.000 0.515 499 N N -1.278 117.421 118.700 -0.002 0.000 3.020 499 N HA 0.058 4.798 4.740 0.000 0.000 0.248 499 N C 0.168 175.679 175.510 0.001 0.000 1.480 499 N CA -0.716 52.332 53.050 -0.003 0.000 0.874 499 N CB 0.979 39.467 38.487 0.002 0.000 1.433 499 N HN -0.213 nan 8.380 nan 0.000 0.530 500 L N 0.318 121.545 121.223 0.006 0.000 2.046 500 L HA -0.020 4.320 4.340 0.000 0.000 0.208 500 L C 2.125 179.002 176.870 0.012 0.000 1.077 500 L CA 2.266 57.112 54.840 0.010 0.000 0.747 500 L CB -1.006 41.065 42.059 0.019 0.000 0.896 500 L HN 0.874 nan 8.230 nan 0.000 0.432 501 E N -1.224 118.983 120.200 0.012 0.000 2.085 501 E HA -0.310 4.040 4.350 0.000 0.000 0.194 501 E C 1.997 178.605 176.600 0.013 0.000 0.994 501 E CA 1.673 58.081 56.400 0.013 0.000 0.801 501 E CB -0.675 29.032 29.700 0.013 0.000 0.743 501 E HN 0.682 nan 8.360 nan 0.000 0.453 502 Q N 0.140 119.947 119.800 0.011 0.000 2.167 502 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 502 Q C 2.285 178.292 176.000 0.013 0.000 0.970 502 Q CA 1.052 56.863 55.803 0.013 0.000 0.855 502 Q CB -0.104 28.642 28.738 0.013 0.000 0.911 502 Q HN 0.292 nan 8.270 nan 0.000 0.438 503 L N 1.310 122.538 121.223 0.009 0.000 2.017 503 L HA -0.197 4.143 4.340 0.000 0.000 0.208 503 L C 1.834 178.712 176.870 0.013 0.000 1.073 503 L CA 1.881 56.726 54.840 0.008 0.000 0.745 503 L CB -0.186 41.872 42.059 -0.001 0.000 0.894 503 L HN -0.035 nan 8.230 nan 0.000 0.432 504 K N -0.629 119.779 120.400 0.014 0.000 2.057 504 K HA -0.084 4.236 4.320 0.000 0.000 0.207 504 K C 2.018 178.628 176.600 0.017 0.000 1.049 504 K CA 1.220 57.517 56.287 0.017 0.000 0.931 504 K CB -0.738 31.772 32.500 0.017 0.000 0.714 504 K HN 0.557 nan 8.250 nan 0.000 0.440 505 G N 1.205 110.015 108.800 0.016 0.000 2.418 505 G HA2 -0.292 3.668 3.960 0.000 0.000 0.217 505 G HA3 -0.292 3.668 3.960 0.000 0.000 0.217 505 G C 1.618 176.529 174.900 0.018 0.000 1.158 505 G CA 1.232 46.342 45.100 0.016 0.000 0.771 505 G HN 0.425 nan 8.290 nan 0.000 0.545 506 S N 0.510 116.222 115.700 0.020 0.000 2.383 506 S HA 0.035 4.505 4.470 0.000 0.000 0.227 506 S C 2.363 176.978 174.600 0.024 0.000 1.026 506 S CA 1.020 59.234 58.200 0.024 0.000 0.981 506 S CB -0.390 62.825 63.200 0.026 0.000 0.818 506 S HN 0.270 nan 8.310 nan 0.000 0.472 507 L N 1.092 122.329 121.223 0.022 0.000 2.093 507 L HA -0.091 4.249 4.340 0.000 0.000 0.208 507 L C 3.175 180.056 176.870 0.018 0.000 1.085 507 L CA 1.647 56.500 54.840 0.023 0.000 0.755 507 L CB -0.588 41.487 42.059 0.027 0.000 0.904 507 L HN 0.467 nan 8.230 nan 0.000 0.435 508 Q N 0.310 120.121 119.800 0.017 0.000 2.050 508 Q HA -0.297 4.043 4.340 0.000 0.000 0.202 508 Q C 2.117 178.124 176.000 0.013 0.000 0.980 508 Q CA 2.078 57.889 55.803 0.014 0.000 0.840 508 Q CB 0.011 28.757 28.738 0.014 0.000 0.898 508 Q HN 0.478 nan 8.270 nan 0.000 0.424 509 E N -0.508 119.701 120.200 0.015 0.000 2.051 509 E HA -0.217 4.133 4.350 0.000 0.000 0.192 509 E C 1.797 178.407 176.600 0.016 0.000 0.991 509 E CA 1.172 57.582 56.400 0.016 0.000 0.799 509 E CB -0.168 29.544 29.700 0.020 0.000 0.748 509 E HN 0.464 nan 8.360 nan 0.000 0.449 510 A N 0.741 123.572 122.820 0.018 0.000 1.902 510 A HA -0.132 4.188 4.320 0.000 0.000 0.217 510 A C 2.180 179.766 177.584 0.004 0.000 1.181 510 A CA 1.085 53.132 52.037 0.017 0.000 0.623 510 A CB -0.636 18.377 19.000 0.021 0.000 0.818 510 A HN 0.319 nan 8.150 nan 0.000 0.443 511 L N -0.328 120.896 121.223 0.001 0.000 2.201 511 L HA -0.100 4.240 4.340 0.000 0.000 0.212 511 L C 2.053 178.919 176.870 -0.006 0.000 1.105 511 L CA 1.232 56.068 54.840 -0.008 0.000 0.775 511 L CB -0.117 41.940 42.059 -0.005 0.000 0.913 511 L HN 0.287 nan 8.230 nan 0.000 0.440 512 S N -0.698 115.002 115.700 0.000 0.000 2.556 512 S HA 0.283 4.753 4.470 0.000 0.000 0.216 512 S C 0.867 175.468 174.600 0.002 0.000 0.970 512 S CA -0.088 58.112 58.200 0.000 0.000 0.912 512 S CB 0.141 63.343 63.200 0.003 0.000 0.790 512 S HN 0.333 nan 8.310 nan 0.000 0.504 513 A N 1.746 124.569 122.820 0.004 0.000 2.366 513 A HA 0.379 4.699 4.320 0.000 0.000 0.249 513 A C 0.985 178.572 177.584 0.004 0.000 1.084 513 A CA -0.142 51.899 52.037 0.008 0.000 0.794 513 A CB 0.364 19.374 19.000 0.016 0.000 1.034 513 A HN 0.069 nan 8.150 nan 0.000 0.491 514 K N 0.516 120.920 120.400 0.006 0.000 2.374 514 K HA 0.189 4.510 4.320 0.000 0.000 0.196 514 K C 0.760 177.364 176.600 0.006 0.000 1.023 514 K CA 0.869 57.158 56.287 0.004 0.000 1.103 514 K CB 0.270 32.772 32.500 0.002 0.000 0.848 514 K HN 0.754 nan 8.250 nan 0.000 0.528 515 G N 1.737 110.545 108.800 0.013 0.000 3.015 515 G HA2 0.449 4.409 3.960 0.000 0.000 0.281 515 G HA3 0.449 4.409 3.960 0.000 0.000 0.281 515 G C -2.966 171.957 174.900 0.039 0.000 1.386 515 G CA -1.313 43.800 45.100 0.022 0.000 0.959 515 G HN -0.225 nan 8.290 nan 0.000 0.522 516 P HA 0.375 nan 4.420 nan 0.000 0.272 516 P C -0.784 176.603 177.300 0.145 0.000 1.223 516 P CA -0.128 63.049 63.100 0.127 0.000 0.784 516 P CB 1.599 33.441 31.700 0.236 0.000 0.923 517 V N 3.002 123.022 119.914 0.176 0.000 2.808 517 V HA 0.371 4.491 4.120 0.000 0.000 0.308 517 V C -0.066 176.189 176.094 0.269 0.000 1.099 517 V CA -0.783 61.618 62.300 0.168 0.000 0.920 517 V CB 2.148 34.024 31.823 0.089 0.000 1.014 517 V HN 0.460 nan 8.190 nan 0.000 0.425 518 L N 5.319 126.683 121.223 0.234 0.000 2.322 518 L HA 0.714 5.054 4.340 0.000 0.000 0.281 518 L C -1.063 175.893 176.870 0.144 0.000 1.014 518 L CA -0.316 54.665 54.840 0.234 0.000 0.815 518 L CB 1.273 43.437 42.059 0.176 0.000 1.247 518 L HN 0.609 nan 8.230 nan 0.000 0.421 519 I N 4.569 125.213 120.570 0.122 0.000 2.382 519 I HA 0.320 4.490 4.170 0.000 0.000 0.286 519 I C -0.361 175.789 176.117 0.055 0.000 1.002 519 I CA -0.452 60.894 61.300 0.077 0.000 1.135 519 I CB 1.790 39.824 38.000 0.056 0.000 1.288 519 I HN 0.616 nan 8.210 nan 0.000 0.448 520 E N 6.460 126.696 120.200 0.060 0.000 2.130 520 E HA 0.386 4.736 4.350 0.000 0.000 0.284 520 E C -1.323 175.292 176.600 0.025 0.000 1.018 520 E CA -0.515 55.910 56.400 0.043 0.000 0.817 520 E CB 1.237 31.014 29.700 0.128 0.000 1.078 520 E HN 0.368 nan 8.360 nan 0.000 0.396 521 V N 3.868 123.776 119.914 -0.011 0.000 2.398 521 V HA 0.169 4.289 4.120 0.000 0.000 0.286 521 V C -0.032 176.054 176.094 -0.013 0.000 1.026 521 V CA -0.773 61.517 62.300 -0.016 0.000 0.868 521 V CB 1.710 33.508 31.823 -0.042 0.000 0.982 521 V HN 0.636 nan 8.190 nan 0.000 0.443 522 S N 3.832 119.529 115.700 -0.005 0.000 2.405 522 S HA 0.353 4.823 4.470 0.000 0.000 0.291 522 S C 0.513 175.096 174.600 -0.030 0.000 1.137 522 S CA -0.468 57.730 58.200 -0.003 0.000 1.061 522 S CB 0.216 63.418 63.200 0.003 0.000 1.001 522 S HN 0.973 nan 8.310 nan 0.000 0.507 523 T N -0.597 113.939 114.554 -0.030 0.000 2.945 523 T HA 0.622 4.972 4.350 0.000 0.000 0.286 523 T C 0.368 175.039 174.700 -0.048 0.000 1.025 523 T CA -1.044 61.025 62.100 -0.052 0.000 1.039 523 T CB 0.972 69.814 68.868 -0.043 0.000 1.068 523 T HN 0.402 nan 8.240 nan 0.000 0.497 524 V N 0.430 120.291 119.914 -0.090 0.000 2.655 524 V HA 0.462 4.582 4.120 0.000 0.000 0.300 524 V C 0.549 176.645 176.094 0.004 0.000 1.044 524 V CA -0.475 61.775 62.300 -0.082 0.000 1.095 524 V CB 0.511 32.224 31.823 -0.182 0.000 0.952 524 V HN 1.011 nan 8.190 nan 0.000 0.485 525 S N 0.000 115.714 115.700 0.023 0.000 2.498 525 S HA 0.000 4.470 4.470 0.000 0.000 0.327 525 S CA 0.000 58.233 58.200 0.054 0.000 1.107 525 S CB 0.000 63.227 63.200 0.044 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517