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 2fwn_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGXNELPF 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 0.000 177.664 177.584 0.133 0.000 1.274 2 A CA 0.000 52.108 52.037 0.119 0.000 0.836 2 A CB 0.000 19.092 19.000 0.154 0.000 0.831 3 S N 0.411 116.204 115.700 0.156 0.000 2.632 3 S HA 0.467 4.936 4.470 -0.002 0.000 0.267 3 S C 1.214 175.965 174.600 0.252 0.000 1.276 3 S CA 0.047 58.361 58.200 0.191 0.000 0.998 3 S CB 1.063 64.386 63.200 0.206 0.000 0.953 3 S HN 1.454 nan 8.310 nan 0.000 0.547 4 V N 1.632 121.703 119.914 0.262 0.000 2.332 4 V HA -0.212 3.907 4.120 -0.002 0.000 0.248 4 V C 2.595 178.991 176.094 0.503 0.000 1.055 4 V CA 2.340 64.818 62.300 0.297 0.000 1.038 4 V CB -1.405 30.518 31.823 0.166 0.000 0.651 4 V HN 1.040 nan 8.190 nan 0.000 0.450 5 H N 0.755 120.129 119.070 0.507 0.000 2.290 5 H HA -0.156 4.399 4.556 -0.002 0.000 0.298 5 H C 2.321 177.875 175.328 0.376 0.000 1.087 5 H CA 2.244 58.610 56.048 0.530 0.000 1.291 5 H CB -0.512 29.481 29.762 0.386 0.000 1.369 5 H HN 0.418 nan 8.280 nan 0.000 0.492 6 G N -0.652 108.426 108.800 0.463 0.000 2.418 6 G HA2 -0.239 3.719 3.960 -0.002 0.000 0.217 6 G HA3 -0.239 3.719 3.960 -0.002 0.000 0.217 6 G C 1.816 176.864 174.900 0.247 0.000 1.158 6 G CA 1.299 46.580 45.100 0.302 0.000 0.771 6 G HN 0.450 nan 8.290 nan 0.000 0.545 7 T N 0.796 115.526 114.554 0.292 0.000 2.821 7 T HA -0.084 4.265 4.350 -0.002 0.000 0.267 7 T C 2.635 177.536 174.700 0.335 0.000 1.046 7 T CA 1.713 64.027 62.100 0.356 0.000 1.139 7 T CB -0.368 68.700 68.868 0.334 0.000 0.871 7 T HN 0.285 nan 8.240 nan 0.000 0.454 8 T N 0.832 115.554 114.554 0.281 0.000 2.812 8 T HA -0.034 4.315 4.350 -0.002 0.000 0.264 8 T C 1.614 176.327 174.700 0.022 0.000 1.042 8 T CA 0.970 63.191 62.100 0.202 0.000 1.140 8 T CB -0.435 68.628 68.868 0.325 0.000 0.870 8 T HN 0.394 nan 8.240 nan 0.000 0.445 9 Y N 1.361 121.618 120.300 -0.072 0.000 2.293 9 Y HA -0.059 4.490 4.550 -0.002 0.000 0.291 9 Y C 2.597 178.410 175.900 -0.145 0.000 1.137 9 Y CA 1.056 58.990 58.100 -0.277 0.000 1.202 9 Y CB -0.255 37.858 38.460 -0.578 0.000 0.990 9 Y HN 0.168 nan 8.280 nan 0.000 0.537 10 E N 0.457 120.658 120.200 0.002 0.000 2.077 10 E HA -0.200 4.149 4.350 -0.002 0.000 0.193 10 E C 2.057 178.490 176.600 -0.279 0.000 0.989 10 E CA 1.023 57.284 56.400 -0.233 0.000 0.800 10 E CB -0.560 28.853 29.700 -0.478 0.000 0.746 10 E HN 0.353 nan 8.360 nan 0.000 0.452 11 L N 0.198 121.401 121.223 -0.033 0.000 2.012 11 L HA -0.148 4.191 4.340 -0.002 0.000 0.210 11 L C 2.167 179.087 176.870 0.084 0.000 1.073 11 L CA 1.776 56.720 54.840 0.173 0.000 0.748 11 L CB -0.638 41.619 42.059 0.330 0.000 0.891 11 L HN 0.279 nan 8.230 nan 0.000 0.431 12 L N -0.613 120.652 121.223 0.070 0.000 2.012 12 L HA -0.242 4.096 4.340 -0.002 0.000 0.210 12 L C 2.850 179.769 176.870 0.082 0.000 1.073 12 L CA 1.878 56.761 54.840 0.071 0.000 0.748 12 L CB -0.683 41.404 42.059 0.047 0.000 0.891 12 L HN 0.358 nan 8.230 nan 0.000 0.431 13 R N 0.115 120.703 120.500 0.146 0.000 2.091 13 R HA -0.156 4.183 4.340 -0.002 0.000 0.238 13 R C 2.465 178.752 176.300 -0.022 0.000 1.136 13 R CA 1.290 57.419 56.100 0.048 0.000 0.959 13 R CB -0.075 30.292 30.300 0.111 0.000 0.856 13 R HN 0.235 nan 8.270 nan 0.000 0.437 14 R N 0.126 120.602 120.500 -0.039 0.000 2.148 14 R HA -0.054 4.285 4.340 -0.002 0.000 0.227 14 R C 1.625 177.932 176.300 0.011 0.000 1.103 14 R CA 0.855 56.937 56.100 -0.030 0.000 0.983 14 R CB -0.062 30.204 30.300 -0.056 0.000 0.874 14 R HN 0.403 nan 8.270 nan 0.000 0.451 15 Q N -0.476 119.335 119.800 0.020 0.000 2.280 15 Q HA 0.127 4.466 4.340 -0.002 0.000 0.202 15 Q C 0.679 176.687 176.000 0.014 0.000 0.903 15 Q CA 0.492 56.307 55.803 0.020 0.000 0.948 15 Q CB 0.958 29.700 28.738 0.007 0.000 1.058 15 Q HN 0.550 nan 8.270 nan 0.000 0.493 16 G N 1.180 109.977 108.800 -0.006 0.000 2.157 16 G HA2 -0.248 3.710 3.960 -0.002 0.000 0.239 16 G HA3 -0.248 3.710 3.960 -0.002 0.000 0.239 16 G C 0.142 175.016 174.900 -0.042 0.000 0.982 16 G CA -0.198 44.892 45.100 -0.016 0.000 0.650 16 G HN 0.336 nan 8.290 nan 0.000 0.527 17 I N 1.470 121.998 120.570 -0.070 0.000 2.331 17 I HA 0.472 4.641 4.170 -0.002 0.000 0.292 17 I C 0.490 176.340 176.117 -0.446 0.000 0.998 17 I CA -0.141 61.093 61.300 -0.111 0.000 1.267 17 I CB 1.513 39.508 38.000 -0.009 0.000 1.386 17 I HN 0.226 nan 8.210 nan 0.000 0.476 18 D N 1.514 121.602 120.400 -0.520 0.000 2.538 18 D HA 0.093 4.732 4.640 -0.002 0.000 0.241 18 D C -0.164 175.741 176.300 -0.658 0.000 1.297 18 D CA -0.059 53.314 54.000 -1.046 0.000 0.804 18 D CB 0.543 40.977 40.800 -0.611 0.000 1.122 18 D HN 0.269 nan 8.370 nan 0.000 0.519 19 T N 0.188 114.563 114.554 -0.298 0.000 2.881 19 T HA 0.557 4.906 4.350 -0.002 0.000 0.290 19 T C -0.856 173.804 174.700 -0.067 0.000 1.000 19 T CA -0.610 61.347 62.100 -0.237 0.000 0.978 19 T CB 2.492 71.065 68.868 -0.490 0.000 0.997 19 T HN -0.118 nan 8.240 nan 0.000 0.443 20 V N 3.891 123.805 119.914 0.001 0.000 2.357 20 V HA 0.487 4.605 4.120 -0.002 0.000 0.284 20 V C -0.847 175.014 176.094 -0.388 0.000 1.018 20 V CA -0.863 61.545 62.300 0.180 0.000 0.841 20 V CB 0.605 32.795 31.823 0.612 0.000 0.991 20 V HN 0.800 nan 8.190 nan 0.000 0.437 21 F N 3.246 123.161 119.950 -0.059 0.000 2.411 21 F HA 0.757 5.283 4.527 -0.002 0.000 0.355 21 F C 0.945 176.616 175.800 -0.215 0.000 1.117 21 F CA -0.020 57.846 58.000 -0.222 0.000 1.139 21 F CB 1.602 40.523 39.000 -0.131 0.000 1.120 21 F HN 0.608 nan 8.300 nan 0.000 0.493 22 G N 2.472 111.120 108.800 -0.254 0.000 2.677 22 G HA2 0.311 4.270 3.960 -0.002 0.000 0.291 22 G HA3 0.311 4.270 3.960 -0.002 0.000 0.291 22 G C -2.186 172.775 174.900 0.103 0.000 1.435 22 G CA -0.893 44.181 45.100 -0.044 0.000 0.826 22 G HN 0.517 nan 8.290 nan 0.000 0.491 23 N N 1.151 119.969 118.700 0.198 0.000 2.448 23 N HA 0.453 5.192 4.740 -0.002 0.000 0.279 23 N C -2.801 172.835 175.510 0.210 0.000 1.025 23 N CA -1.301 51.868 53.050 0.197 0.000 0.898 23 N CB 3.344 41.905 38.487 0.123 0.000 1.303 23 N HN 0.292 nan 8.380 nan 0.000 0.495 24 P HA 0.416 nan 4.420 nan 0.000 0.276 24 P C -0.334 176.979 177.300 0.022 0.000 1.252 24 P CA -0.062 63.112 63.100 0.122 0.000 0.802 24 P CB 1.827 33.542 31.700 0.025 0.000 1.035 28 E N 0.590 120.925 120.200 0.225 0.000 2.431 28 E HA 0.335 4.683 4.350 -0.002 0.000 0.200 28 E C 1.729 178.437 176.600 0.179 0.000 0.995 28 E CA 0.011 56.566 56.400 0.259 0.000 0.915 28 E CB 0.460 30.320 29.700 0.266 0.000 0.930 28 E HN 0.191 nan 8.360 nan 0.000 0.496 29 L N 1.049 122.311 121.223 0.066 0.000 2.042 29 L HA -0.128 4.211 4.340 -0.002 0.000 0.210 29 L C -0.666 176.227 176.870 0.039 0.000 1.076 29 L CA 1.441 56.284 54.840 0.004 0.000 0.749 29 L CB -1.511 40.513 42.059 -0.059 0.000 0.893 29 L HN 0.137 nan 8.230 nan 0.000 0.432 30 P HA -0.173 nan 4.420 nan 0.000 0.226 30 P C 1.358 178.733 177.300 0.125 0.000 1.153 30 P CA 1.078 64.291 63.100 0.189 0.000 0.777 30 P CB 0.005 31.952 31.700 0.411 0.000 0.794 31 F N 0.087 119.862 119.950 -0.292 0.000 2.219 31 F HA 0.022 4.547 4.527 -0.002 0.000 0.294 31 F C 1.710 177.458 175.800 -0.088 0.000 1.086 31 F CA 1.234 58.805 58.000 -0.715 0.000 1.330 31 F CB -0.731 37.700 39.000 -0.947 0.000 1.047 31 F HN -0.282 nan 8.300 nan 0.000 0.495 32 L N 0.883 122.015 121.223 -0.151 0.000 2.313 32 L HA -0.040 4.299 4.340 -0.002 0.000 0.214 32 L C 1.188 178.024 176.870 -0.056 0.000 1.119 32 L CA 0.234 54.986 54.840 -0.146 0.000 0.809 32 L CB -0.838 41.138 42.059 -0.138 0.000 0.933 32 L HN 0.065 nan 8.230 nan 0.000 0.449 33 K N -0.130 120.255 120.400 -0.024 0.000 2.286 33 K HA -0.059 4.259 4.320 -0.002 0.000 0.256 33 K C -0.187 176.384 176.600 -0.048 0.000 0.999 33 K CA -0.203 56.053 56.287 -0.051 0.000 0.908 33 K CB 0.282 32.739 32.500 -0.071 0.000 0.981 33 K HN -0.036 nan 8.250 nan 0.000 0.500 34 D N -0.103 120.236 120.400 -0.102 0.000 2.751 34 D HA -0.229 4.409 4.640 -0.002 0.000 0.233 34 D C -0.649 175.558 176.300 -0.156 0.000 1.149 34 D CA 0.877 54.794 54.000 -0.139 0.000 0.682 34 D CB -1.402 39.247 40.800 -0.251 0.000 1.068 34 D HN 0.480 nan 8.370 nan 0.000 0.429 35 F N 1.026 120.795 119.950 -0.303 0.000 2.578 35 F HA 0.217 4.743 4.527 -0.002 0.000 0.381 35 F C -1.536 174.000 175.800 -0.441 0.000 1.069 35 F CA -1.579 56.148 58.000 -0.455 0.000 1.231 35 F CB 0.469 39.285 39.000 -0.306 0.000 1.086 35 F HN -0.180 nan 8.300 nan 0.000 0.564 36 P HA 0.010 nan 4.420 nan 0.000 0.268 36 P C 0.254 177.350 177.300 -0.340 0.000 1.205 36 P CA 0.076 62.769 63.100 -0.678 0.000 0.771 36 P CB 0.582 31.742 31.700 -0.900 0.000 0.858 37 E N 1.925 122.032 120.200 -0.156 0.000 2.204 37 E HA -0.163 4.185 4.350 -0.002 0.000 0.195 37 E C 1.007 177.605 176.600 -0.003 0.000 0.990 37 E CA 1.227 57.600 56.400 -0.043 0.000 0.821 37 E CB -0.320 29.357 29.700 -0.038 0.000 0.750 37 E HN 0.626 nan 8.360 nan 0.000 0.477 38 D N -0.679 119.726 120.400 0.007 0.000 2.340 38 D HA -0.065 4.574 4.640 -0.002 0.000 0.220 38 D C 0.199 176.537 176.300 0.064 0.000 1.039 38 D CA -0.107 53.915 54.000 0.036 0.000 0.866 38 D CB -0.256 40.559 40.800 0.024 0.000 0.913 38 D HN -0.059 nan 8.370 nan 0.000 0.523 39 F N 0.882 120.695 119.950 -0.228 0.000 2.440 39 F HA 0.476 5.002 4.527 -0.002 0.000 0.328 39 F C 0.795 176.622 175.800 0.045 0.000 1.070 39 F CA -1.289 56.583 58.000 -0.214 0.000 1.011 39 F CB 1.378 40.012 39.000 -0.610 0.000 1.226 39 F HN -0.292 nan 8.300 nan 0.000 0.491 40 R N 1.441 122.087 120.500 0.244 0.000 2.445 40 R HA 0.384 4.723 4.340 -0.002 0.000 0.308 40 R C -2.064 174.412 176.300 0.293 0.000 0.961 40 R CA -0.516 55.709 56.100 0.208 0.000 0.862 40 R CB 0.679 30.943 30.300 -0.059 0.000 1.144 40 R HN 0.633 nan 8.270 nan 0.000 0.447 41 Y N 5.619 125.960 120.300 0.068 0.000 2.331 41 Y HA 0.475 5.024 4.550 -0.002 0.000 0.338 41 Y C -0.876 174.895 175.900 -0.215 0.000 0.992 41 Y CA -1.011 57.006 58.100 -0.139 0.000 1.121 41 Y CB 1.112 39.321 38.460 -0.419 0.000 1.184 41 Y HN 0.465 nan 8.280 nan 0.000 0.469 42 I N 8.384 128.556 120.570 -0.663 0.000 2.359 42 I HA 0.158 4.327 4.170 -0.002 0.000 0.284 42 I C -0.721 175.178 176.117 -0.363 0.000 1.018 42 I CA -0.783 60.132 61.300 -0.642 0.000 1.173 42 I CB 0.821 38.379 38.000 -0.737 0.000 1.326 42 I HN 0.512 nan 8.210 nan 0.000 0.462 43 L N 6.738 128.047 121.223 0.143 0.000 2.349 43 L HA 0.706 5.045 4.340 -0.002 0.000 0.275 43 L C 0.077 177.173 176.870 0.376 0.000 1.115 43 L CA 0.309 55.356 54.840 0.346 0.000 0.820 43 L CB 1.067 43.492 42.059 0.609 0.000 1.135 43 L HN 0.698 nan 8.230 nan 0.000 0.445 44 A N 4.916 127.883 122.820 0.246 0.000 2.423 44 A HA 0.582 4.901 4.320 -0.002 0.000 0.304 44 A C 0.298 177.943 177.584 0.102 0.000 1.104 44 A CA -0.638 51.530 52.037 0.218 0.000 0.757 44 A CB 1.135 20.220 19.000 0.142 0.000 1.313 44 A HN 0.841 nan 8.150 nan 0.000 0.423 45 L N -0.243 120.986 121.223 0.011 0.000 2.509 45 L HA 0.164 4.503 4.340 -0.002 0.000 0.222 45 L C 0.852 177.693 176.870 -0.050 0.000 1.123 45 L CA 0.777 55.553 54.840 -0.108 0.000 0.856 45 L CB 0.095 42.002 42.059 -0.254 0.000 0.985 45 L HN 0.704 nan 8.230 nan 0.000 0.456 46 Q N -0.480 119.316 119.800 -0.007 0.000 2.377 46 Q HA 0.139 4.478 4.340 -0.002 0.000 0.279 46 Q C -0.442 175.581 176.000 0.038 0.000 1.049 46 Q CA -0.244 55.569 55.803 0.016 0.000 0.825 46 Q CB 2.415 31.160 28.738 0.012 0.000 1.401 46 Q HN -0.004 nan 8.270 nan 0.000 0.404 47 E N 0.959 121.189 120.200 0.051 0.000 2.274 47 E HA -0.013 4.335 4.350 -0.002 0.000 0.194 47 E C 1.449 178.079 176.600 0.049 0.000 0.996 47 E CA 1.229 57.664 56.400 0.059 0.000 0.840 47 E CB 0.100 29.842 29.700 0.070 0.000 0.772 47 E HN 0.646 nan 8.360 nan 0.000 0.491 48 A N 0.264 123.112 122.820 0.048 0.000 1.933 48 A HA -0.213 4.105 4.320 -0.002 0.000 0.218 48 A C 2.220 179.825 177.584 0.036 0.000 1.175 48 A CA 1.343 53.409 52.037 0.049 0.000 0.628 48 A CB -0.863 18.176 19.000 0.065 0.000 0.814 48 A HN 0.418 nan 8.150 nan 0.000 0.444 49 C N -1.410 117.909 119.300 0.031 0.000 2.453 49 C HA -0.020 4.439 4.460 -0.002 0.000 0.277 49 C C 2.660 177.658 174.990 0.013 0.000 1.262 49 C CA 0.717 59.744 59.018 0.016 0.000 1.718 49 C CB -1.330 26.421 27.740 0.017 0.000 2.031 49 C HN 0.449 nan 8.230 nan 0.000 0.480 50 V N 1.241 121.177 119.914 0.036 0.000 2.252 50 V HA -0.240 3.878 4.120 -0.002 0.000 0.249 50 V C 2.459 178.547 176.094 -0.009 0.000 1.056 50 V CA 2.430 64.757 62.300 0.046 0.000 1.022 50 V CB -0.836 31.030 31.823 0.072 0.000 0.641 50 V HN 0.473 nan 8.190 nan 0.000 0.445 51 V N 0.680 120.594 119.914 0.000 0.000 2.427 51 V HA -0.125 3.994 4.120 -0.002 0.000 0.248 51 V C 2.627 178.688 176.094 -0.055 0.000 1.051 51 V CA 1.956 64.243 62.300 -0.021 0.000 1.048 51 V CB -1.402 30.435 31.823 0.023 0.000 0.666 51 V HN 0.621 nan 8.190 nan 0.000 0.456 52 G N 0.175 108.951 108.800 -0.040 0.000 2.440 52 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.218 52 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.218 52 G C 1.579 176.359 174.900 -0.200 0.000 1.154 52 G CA 1.145 46.193 45.100 -0.086 0.000 0.767 52 G HN 0.488 nan 8.290 nan 0.000 0.552 53 I N 1.367 121.821 120.570 -0.194 0.000 2.179 53 I HA -0.169 3.999 4.170 -0.002 0.000 0.242 53 I C 3.308 179.123 176.117 -0.505 0.000 1.088 53 I CA 1.026 62.174 61.300 -0.254 0.000 1.357 53 I CB -0.257 37.670 38.000 -0.122 0.000 1.051 53 I HN 0.241 nan 8.210 nan 0.000 0.409 54 A N 0.230 122.617 122.820 -0.721 0.000 1.940 54 A HA -0.294 4.025 4.320 -0.002 0.000 0.219 54 A C 2.052 179.398 177.584 -0.398 0.000 1.176 54 A CA 2.241 53.659 52.037 -1.032 0.000 0.631 54 A CB -0.640 17.959 19.000 -0.667 0.000 0.814 54 A HN 0.445 nan 8.150 nan 0.000 0.446 55 D N -0.395 119.879 120.400 -0.210 0.000 2.084 55 D HA -0.073 4.566 4.640 -0.002 0.000 0.194 55 D C 2.117 178.371 176.300 -0.077 0.000 0.990 55 D CA 1.736 55.706 54.000 -0.049 0.000 0.826 55 D CB -0.707 40.148 40.800 0.091 0.000 0.971 55 D HN 0.286 nan 8.370 nan 0.000 0.453 56 G N -0.869 107.819 108.800 -0.186 0.000 2.440 56 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.218 56 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.218 56 G C 1.707 176.474 174.900 -0.222 0.000 1.154 56 G CA 1.085 46.007 45.100 -0.298 0.000 0.767 56 G HN 0.392 nan 8.290 nan 0.000 0.552 57 Y N 1.938 122.071 120.300 -0.279 0.000 2.145 57 Y HA -0.023 4.526 4.550 -0.001 0.000 0.286 57 Y C 2.958 178.798 175.900 -0.100 0.000 1.145 57 Y CA 1.595 59.590 58.100 -0.175 0.000 1.148 57 Y CB -0.411 37.931 38.460 -0.197 0.000 0.981 57 Y HN 0.253 nan 8.280 nan 0.000 0.507 58 A N 0.053 122.855 122.820 -0.030 0.000 1.902 58 A HA -0.235 4.084 4.320 -0.002 0.000 0.217 58 A C 2.122 179.669 177.584 -0.061 0.000 1.181 58 A CA 1.909 53.928 52.037 -0.029 0.000 0.623 58 A CB -0.745 18.279 19.000 0.040 0.000 0.818 58 A HN 0.663 nan 8.150 nan 0.000 0.443 59 Q N -0.777 118.991 119.800 -0.053 0.000 2.084 59 Q HA -0.112 4.227 4.340 -0.002 0.000 0.202 59 Q C 2.443 178.460 176.000 0.028 0.000 0.978 59 Q CA 1.421 57.238 55.803 0.022 0.000 0.844 59 Q CB -0.345 28.431 28.738 0.064 0.000 0.898 59 Q HN 0.686 nan 8.270 nan 0.000 0.426 60 A N 0.378 123.136 122.820 -0.104 0.000 1.897 60 A HA -0.095 4.224 4.320 -0.002 0.000 0.215 60 A C 2.203 179.726 177.584 -0.101 0.000 1.181 60 A CA 1.411 53.419 52.037 -0.049 0.000 0.620 60 A CB -0.248 18.671 19.000 -0.136 0.000 0.821 60 A HN 0.219 nan 8.150 nan 0.000 0.443 61 S N -1.077 114.483 115.700 -0.235 0.000 2.489 61 S HA 0.042 4.511 4.470 -0.002 0.000 0.228 61 S C 0.587 175.117 174.600 -0.115 0.000 0.995 61 S CA 0.389 58.437 58.200 -0.252 0.000 0.934 61 S CB -0.173 62.732 63.200 -0.492 0.000 0.771 61 S HN 0.571 nan 8.310 nan 0.000 0.522 62 R N 0.986 121.449 120.500 -0.062 0.000 3.422 62 R HA -0.178 4.161 4.340 -0.002 0.000 0.267 62 R C -0.409 175.888 176.300 -0.005 0.000 1.074 62 R CA 0.865 56.959 56.100 -0.010 0.000 0.718 62 R CB -1.886 28.416 30.300 0.005 0.000 1.157 62 R HN 0.648 nan 8.270 nan 0.000 0.440 63 K N -1.607 118.789 120.400 -0.007 0.000 2.579 63 K HA 0.552 4.870 4.320 -0.002 0.000 0.284 63 K C -3.168 173.471 176.600 0.065 0.000 0.990 63 K CA -2.094 54.210 56.287 0.028 0.000 0.880 63 K CB 2.468 34.982 32.500 0.024 0.000 1.488 63 K HN -0.296 nan 8.250 nan 0.000 0.425 64 P HA 0.095 nan 4.420 nan 0.000 0.269 64 P C -1.079 176.349 177.300 0.214 0.000 1.209 64 P CA -0.198 62.982 63.100 0.132 0.000 0.776 64 P CB 0.901 32.675 31.700 0.124 0.000 0.876 65 A N 2.865 125.825 122.820 0.234 0.000 2.337 65 A HA 0.636 4.955 4.320 -0.002 0.000 0.329 65 A C -1.267 176.523 177.584 0.344 0.000 1.146 65 A CA -0.582 51.661 52.037 0.343 0.000 0.800 65 A CB 0.514 19.658 19.000 0.240 0.000 1.220 65 A HN 0.480 nan 8.150 nan 0.000 0.472 66 F N 2.348 122.480 119.950 0.304 0.000 2.436 66 F HA 0.738 5.264 4.527 -0.003 0.000 0.340 66 F C -0.608 175.376 175.800 0.306 0.000 1.113 66 F CA -0.698 57.454 58.000 0.254 0.000 1.022 66 F CB 0.945 40.084 39.000 0.231 0.000 1.128 66 F HN 0.428 nan 8.300 nan 0.000 0.466 67 I N 4.755 125.146 120.570 -0.299 0.000 2.569 67 I HA 0.333 4.502 4.170 -0.002 0.000 0.296 67 I C -1.149 174.802 176.117 -0.277 0.000 1.028 67 I CA -0.851 60.383 61.300 -0.110 0.000 1.082 67 I CB 2.207 40.185 38.000 -0.037 0.000 1.264 67 I HN 0.549 nan 8.210 nan 0.000 0.429 68 N N 5.985 124.699 118.700 0.023 0.000 2.461 68 N HA 0.642 5.381 4.740 -0.002 0.000 0.284 68 N C -1.671 173.924 175.510 0.142 0.000 1.049 68 N CA -0.345 52.761 53.050 0.093 0.000 0.889 68 N CB 1.169 39.875 38.487 0.365 0.000 1.365 68 N HN 0.454 nan 8.380 nan 0.000 0.499 69 L N 1.169 122.457 121.223 0.109 0.000 2.303 69 L HA 0.476 4.814 4.340 -0.002 0.000 0.266 69 L C -0.428 176.549 176.870 0.178 0.000 1.011 69 L CA -1.243 53.685 54.840 0.147 0.000 0.818 69 L CB 1.525 43.660 42.059 0.126 0.000 1.326 69 L HN 0.588 nan 8.230 nan 0.000 0.435 70 H N 0.756 119.886 119.070 0.100 0.000 2.820 70 H HA 0.321 4.876 4.556 -0.002 0.000 0.278 70 H C 0.350 175.734 175.328 0.093 0.000 1.142 70 H CA 0.857 56.962 56.048 0.095 0.000 1.346 70 H CB 0.604 30.413 29.762 0.078 0.000 1.438 70 H HN 0.708 nan 8.280 nan 0.000 0.473 71 S N 2.985 118.483 115.700 -0.337 0.000 3.416 71 S HA -0.380 4.089 4.470 -0.002 0.000 0.627 71 S C 1.728 176.255 174.600 -0.121 0.000 2.746 71 S CA 1.768 59.787 58.200 -0.302 0.000 3.896 71 S CB -1.388 61.467 63.200 -0.574 0.000 0.264 71 S HN 1.114 nan 8.310 nan 0.000 1.229 72 A N 0.325 123.081 122.820 -0.107 0.000 1.897 72 A HA 0.410 4.729 4.320 -0.002 0.000 0.215 72 A C 2.607 180.177 177.584 -0.023 0.000 1.181 72 A CA 2.250 54.265 52.037 -0.036 0.000 0.620 72 A CB -1.419 17.563 19.000 -0.031 0.000 0.821 72 A HN 1.673 nan 8.150 nan 0.000 0.443 73 A N -0.358 122.449 122.820 -0.021 0.000 1.898 73 A HA 0.160 4.478 4.320 -0.002 0.000 0.216 73 A C 2.381 179.997 177.584 0.054 0.000 1.181 73 A CA 1.862 53.918 52.037 0.032 0.000 0.620 73 A CB -1.331 17.716 19.000 0.077 0.000 0.819 73 A HN 0.672 nan 8.150 nan 0.000 0.442 74 G N -1.126 107.720 108.800 0.076 0.000 2.402 74 G HA2 -0.132 3.826 3.960 -0.002 0.000 0.216 74 G HA3 -0.132 3.826 3.960 -0.002 0.000 0.216 74 G C 1.578 176.523 174.900 0.074 0.000 1.162 74 G CA 1.628 46.790 45.100 0.103 0.000 0.777 74 G HN 0.416 nan 8.290 nan 0.000 0.539 75 T N 1.015 115.608 114.554 0.064 0.000 2.708 75 T HA -0.062 4.287 4.350 -0.002 0.000 0.266 75 T C 2.499 177.196 174.700 -0.005 0.000 1.037 75 T CA 1.544 63.676 62.100 0.053 0.000 1.146 75 T CB -0.625 68.279 68.868 0.061 0.000 0.865 75 T HN 0.355 nan 8.240 nan 0.000 0.435 76 G N 1.951 110.744 108.800 -0.012 0.000 2.422 76 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.218 76 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.218 76 G C 1.614 176.514 174.900 0.001 0.000 1.146 76 G CA 0.627 45.715 45.100 -0.021 0.000 0.769 76 G HN 0.390 nan 8.290 nan 0.000 0.547 77 N N 1.016 119.730 118.700 0.023 0.000 2.364 77 N HA -0.018 4.721 4.740 -0.002 0.000 0.183 77 N C 2.007 177.538 175.510 0.035 0.000 1.022 77 N CA 0.990 54.061 53.050 0.034 0.000 0.883 77 N CB -0.151 38.364 38.487 0.046 0.000 0.965 77 N HN 0.349 nan 8.380 nan 0.000 0.438 78 A N -0.444 122.394 122.820 0.029 0.000 2.308 78 A HA 0.210 4.529 4.320 -0.002 0.000 0.217 78 A C 1.948 179.540 177.584 0.014 0.000 1.216 78 A CA -0.115 51.940 52.037 0.030 0.000 0.864 78 A CB -0.110 18.914 19.000 0.040 0.000 0.902 78 A HN 0.118 nan 8.150 nan 0.000 0.499 79 M N -0.673 118.924 119.600 -0.006 0.000 2.319 79 M HA -0.041 4.438 4.480 -0.002 0.000 0.265 79 M C 2.180 178.470 176.300 -0.016 0.000 1.068 79 M CA 1.204 56.487 55.300 -0.029 0.000 1.118 79 M CB -0.196 32.371 32.600 -0.056 0.000 1.395 79 M HN 0.537 nan 8.290 nan 0.000 0.435 80 G N 0.103 108.904 108.800 0.002 0.000 2.408 80 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.217 80 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.217 80 G C 1.605 176.511 174.900 0.010 0.000 1.150 80 G CA 0.897 45.998 45.100 0.002 0.000 0.776 80 G HN 0.520 nan 8.290 nan 0.000 0.542 81 A N 0.618 123.457 122.820 0.032 0.000 1.930 81 A HA 0.135 4.453 4.320 -0.002 0.000 0.217 81 A C 2.385 180.000 177.584 0.052 0.000 1.175 81 A CA 1.051 53.122 52.037 0.056 0.000 0.627 81 A CB -0.348 18.691 19.000 0.065 0.000 0.815 81 A HN 0.350 nan 8.150 nan 0.000 0.443 82 L N -0.432 120.814 121.223 0.039 0.000 2.131 82 L HA -0.151 4.187 4.340 -0.002 0.000 0.210 82 L C 2.890 179.802 176.870 0.069 0.000 1.092 82 L CA 1.318 56.192 54.840 0.056 0.000 0.759 82 L CB -0.457 41.620 42.059 0.029 0.000 0.903 82 L HN 0.546 nan 8.230 nan 0.000 0.435 83 S N 0.416 116.130 115.700 0.024 0.000 2.359 83 S HA -0.201 4.268 4.470 -0.002 0.000 0.224 83 S C 1.873 176.497 174.600 0.040 0.000 1.035 83 S CA 1.684 59.896 58.200 0.020 0.000 1.018 83 S CB -0.186 62.998 63.200 -0.027 0.000 0.876 83 S HN 0.453 nan 8.310 nan 0.000 0.448 84 N N 1.752 120.440 118.700 -0.020 0.000 2.084 84 N HA -0.001 4.738 4.740 -0.002 0.000 0.190 84 N C 2.025 177.500 175.510 -0.058 0.000 1.030 84 N CA 1.425 54.409 53.050 -0.109 0.000 0.849 84 N CB -0.979 37.375 38.487 -0.222 0.000 1.012 84 N HN 0.553 nan 8.380 nan 0.000 0.423 85 A N 1.364 124.198 122.820 0.023 0.000 1.940 85 A HA -0.171 4.148 4.320 -0.002 0.000 0.219 85 A C 2.061 179.691 177.584 0.076 0.000 1.176 85 A CA 1.087 53.157 52.037 0.054 0.000 0.631 85 A CB -1.054 18.003 19.000 0.094 0.000 0.814 85 A HN 0.602 nan 8.150 nan 0.000 0.446 86 W N 1.074 122.349 121.300 -0.041 0.000 2.355 86 W HA -0.194 4.465 4.660 -0.000 0.000 0.309 86 W C 1.395 177.847 176.519 -0.111 0.000 1.206 86 W CA 2.019 59.343 57.345 -0.035 0.000 1.284 86 W CB -0.458 28.985 29.460 -0.029 0.000 1.145 86 W HN 0.400 nan 8.180 nan 0.000 0.502 87 N N 0.331 119.015 118.700 -0.027 0.000 2.396 87 N HA -0.140 4.599 4.740 -0.002 0.000 0.180 87 N C 1.762 177.065 175.510 -0.345 0.000 1.028 87 N CA 1.956 54.892 53.050 -0.189 0.000 0.893 87 N CB -0.455 37.999 38.487 -0.056 0.000 0.967 87 N HN 0.136 nan 8.380 nan 0.000 0.440 88 S N -1.439 114.115 115.700 -0.242 0.000 2.556 88 S HA 0.080 4.549 4.470 -0.002 0.000 0.216 88 S C -0.130 174.406 174.600 -0.107 0.000 0.970 88 S CA -0.302 57.801 58.200 -0.162 0.000 0.912 88 S CB -0.599 62.558 63.200 -0.072 0.000 0.790 88 S HN 0.404 nan 8.310 nan 0.000 0.504 89 H N 0.823 119.803 119.070 -0.151 0.000 2.713 89 H HA -0.130 4.425 4.556 -0.001 0.000 0.311 89 H C -0.618 174.667 175.328 -0.071 0.000 1.175 89 H CA 0.398 56.346 56.048 -0.167 0.000 1.143 89 H CB -2.159 27.516 29.762 -0.144 0.000 1.434 89 H HN 0.357 nan 8.280 nan 0.000 0.418 90 S N 2.327 118.059 115.700 0.052 0.000 2.499 90 S HA 0.152 4.621 4.470 -0.002 0.000 0.275 90 S C -1.851 172.791 174.600 0.070 0.000 1.257 90 S CA -1.042 57.197 58.200 0.066 0.000 1.050 90 S CB 1.059 64.297 63.200 0.064 0.000 0.937 90 S HN 0.203 nan 8.310 nan 0.000 0.490 91 P HA 0.251 nan 4.420 nan 0.000 0.256 91 P C -1.125 176.230 177.300 0.093 0.000 1.689 91 P CA -0.081 63.065 63.100 0.077 0.000 1.124 91 P CB -0.133 31.607 31.700 0.067 0.000 1.766 92 L N 4.584 125.866 121.223 0.099 0.000 2.313 92 L HA 0.510 4.849 4.340 -0.002 0.000 0.283 92 L C 0.585 177.515 176.870 0.100 0.000 1.013 92 L CA -0.987 53.910 54.840 0.095 0.000 0.816 92 L CB 1.972 44.078 42.059 0.078 0.000 1.236 92 L HN 0.159 nan 8.230 nan 0.000 0.419 93 I N 4.181 124.798 120.570 0.078 0.000 2.310 93 I HA 0.189 4.358 4.170 -0.002 0.000 0.287 93 I C -0.260 175.774 176.117 -0.139 0.000 1.073 93 I CA -0.477 60.842 61.300 0.032 0.000 1.216 93 I CB 1.220 39.288 38.000 0.114 0.000 1.415 93 I HN 0.238 nan 8.210 nan 0.000 0.480 94 V N 5.347 125.237 119.914 -0.040 0.000 2.368 94 V HA 0.282 4.401 4.120 -0.002 0.000 0.266 94 V C 0.629 176.622 176.094 -0.169 0.000 1.045 94 V CA -0.405 61.865 62.300 -0.049 0.000 0.899 94 V CB 0.951 32.874 31.823 0.167 0.000 1.006 94 V HN 0.798 nan 8.190 nan 0.000 0.470 95 T N 2.345 116.705 114.554 -0.324 0.000 2.895 95 T HA 0.881 5.229 4.350 -0.002 0.000 0.283 95 T C -0.371 174.191 174.700 -0.230 0.000 1.014 95 T CA -0.490 61.404 62.100 -0.343 0.000 1.037 95 T CB 2.066 70.713 68.868 -0.368 0.000 1.006 95 T HN 0.992 nan 8.240 nan 0.000 0.468 96 A N 1.507 124.168 122.820 -0.265 0.000 2.449 96 A HA 0.866 5.184 4.320 -0.002 0.000 0.302 96 A C 0.221 177.779 177.584 -0.044 0.000 1.048 96 A CA -0.685 51.291 52.037 -0.102 0.000 0.708 96 A CB 1.409 20.388 19.000 -0.035 0.000 1.274 96 A HN 1.331 nan 8.150 nan 0.000 0.410 97 G N 0.098 108.941 108.800 0.072 0.000 2.444 97 G HA2 0.501 4.460 3.960 -0.002 0.000 0.268 97 G HA3 0.501 4.460 3.960 -0.002 0.000 0.268 97 G C -0.295 174.664 174.900 0.098 0.000 1.203 97 G CA -0.126 45.069 45.100 0.158 0.000 0.835 97 G HN 0.850 nan 8.290 nan 0.000 0.543 98 Q N -0.065 119.809 119.800 0.122 0.000 2.297 98 Q HA 0.353 4.692 4.340 -0.002 0.000 0.269 98 Q C 0.180 176.279 176.000 0.165 0.000 1.051 98 Q CA -0.692 55.156 55.803 0.075 0.000 0.869 98 Q CB 1.175 29.911 28.738 -0.003 0.000 1.346 98 Q HN 0.473 nan 8.270 nan 0.000 0.457 99 Q N 0.367 120.234 119.800 0.112 0.000 2.524 99 Q HA 0.061 4.400 4.340 -0.002 0.000 0.246 99 Q C -0.477 175.450 176.000 -0.121 0.000 1.063 99 Q CA 0.351 56.225 55.803 0.117 0.000 0.945 99 Q CB 0.596 29.376 28.738 0.070 0.000 1.292 99 Q HN 0.834 nan 8.270 nan 0.000 0.518 100 T N 0.988 115.282 114.554 -0.432 0.000 2.946 100 T HA -0.021 4.328 4.350 -0.002 0.000 0.311 100 T C 1.397 175.943 174.700 -0.256 0.000 1.063 100 T CA 0.177 61.913 62.100 -0.608 0.000 1.139 100 T CB 0.338 68.733 68.868 -0.789 0.000 0.994 100 T HN 0.476 nan 8.240 nan 0.000 0.547 101 R N 3.143 123.516 120.500 -0.212 0.000 2.117 101 R HA -0.132 4.207 4.340 -0.002 0.000 0.243 101 R C 2.542 178.783 176.300 -0.098 0.000 1.143 101 R CA 1.487 57.508 56.100 -0.132 0.000 0.968 101 R CB -0.503 29.727 30.300 -0.115 0.000 0.863 101 R HN 0.733 nan 8.270 nan 0.000 0.444 102 A N 0.332 123.094 122.820 -0.098 0.000 2.121 102 A HA -0.056 4.263 4.320 -0.002 0.000 0.218 102 A C 1.801 179.359 177.584 -0.045 0.000 1.154 102 A CA 1.045 53.045 52.037 -0.061 0.000 0.679 102 A CB -0.044 18.927 19.000 -0.049 0.000 0.795 102 A HN 0.159 nan 8.150 nan 0.000 0.458 103 M N -1.211 118.359 119.600 -0.051 0.000 2.313 103 M HA 0.285 4.764 4.480 -0.002 0.000 0.273 103 M C 1.249 177.538 176.300 -0.018 0.000 1.049 103 M CA 0.234 55.521 55.300 -0.021 0.000 1.004 103 M CB -0.125 32.476 32.600 0.002 0.000 1.461 103 M HN 0.358 nan 8.290 nan 0.000 0.514 104 I N 0.197 120.747 120.570 -0.035 0.000 2.252 104 I HA -0.146 4.023 4.170 -0.002 0.000 0.245 104 I C 2.502 178.605 176.117 -0.023 0.000 1.102 104 I CA 1.441 62.723 61.300 -0.030 0.000 1.385 104 I CB -0.588 37.384 38.000 -0.047 0.000 1.064 104 I HN 0.334 nan 8.210 nan 0.000 0.414 105 G N 0.102 108.888 108.800 -0.024 0.000 2.418 105 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.217 105 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.217 105 G C 1.692 176.585 174.900 -0.012 0.000 1.158 105 G CA 0.858 45.946 45.100 -0.019 0.000 0.771 105 G HN 0.307 nan 8.290 nan 0.000 0.545 106 V N 0.465 120.375 119.914 -0.007 0.000 3.380 106 V HA 0.109 4.228 4.120 -0.002 0.000 0.268 106 V C 0.712 176.807 176.094 0.002 0.000 1.168 106 V CA 1.072 63.371 62.300 -0.001 0.000 1.156 106 V CB -0.851 30.973 31.823 0.002 0.000 0.785 106 V HN 0.645 nan 8.190 nan 0.000 0.487 107 E N 0.070 120.271 120.200 0.001 0.000 2.230 107 E HA -0.220 4.128 4.350 -0.002 0.000 0.206 107 E C 0.452 177.061 176.600 0.015 0.000 1.309 107 E CA 0.156 56.559 56.400 0.005 0.000 0.697 107 E CB -1.520 28.181 29.700 0.002 0.000 1.146 107 E HN 0.786 nan 8.360 nan 0.000 0.363 108 A N 0.965 123.799 122.820 0.023 0.000 2.492 108 A HA 0.242 4.561 4.320 -0.002 0.000 0.236 108 A C 0.524 178.136 177.584 0.046 0.000 1.078 108 A CA -0.209 51.850 52.037 0.037 0.000 0.773 108 A CB 0.362 19.391 19.000 0.049 0.000 1.023 108 A HN 0.393 nan 8.150 nan 0.000 0.504 109 L N 1.083 122.338 121.223 0.053 0.000 2.573 109 L HA 0.058 4.396 4.340 -0.002 0.000 0.290 109 L C 0.882 177.805 176.870 0.089 0.000 1.247 109 L CA 1.541 56.419 54.840 0.063 0.000 0.876 109 L CB -0.277 41.820 42.059 0.064 0.000 1.123 109 L HN 0.756 nan 8.230 nan 0.000 0.505 110 L N 1.266 122.544 121.223 0.092 0.000 4.892 110 L HA -0.217 4.121 4.340 -0.002 0.000 0.403 110 L C 0.358 177.259 176.870 0.051 0.000 0.913 110 L CA 0.410 55.312 54.840 0.103 0.000 1.653 110 L CB -2.599 39.583 42.059 0.205 0.000 1.780 110 L HN 0.738 nan 8.230 nan 0.000 0.597 111 T N 1.237 115.816 114.554 0.041 0.000 2.834 111 T HA 0.160 4.509 4.350 -0.002 0.000 0.298 111 T C 0.613 175.311 174.700 -0.004 0.000 0.966 111 T CA 0.076 62.187 62.100 0.018 0.000 1.141 111 T CB 0.934 69.810 68.868 0.013 0.000 0.905 111 T HN 0.171 nan 8.240 nan 0.000 0.535 112 N N 3.906 122.599 118.700 -0.013 0.000 2.469 112 N HA 0.148 4.887 4.740 -0.002 0.000 0.239 112 N C -0.599 174.903 175.510 -0.014 0.000 1.053 112 N CA -0.345 52.697 53.050 -0.014 0.000 0.937 112 N CB 0.324 38.809 38.487 -0.004 0.000 1.163 112 N HN 0.269 nan 8.380 nan 0.000 0.509 113 V N 3.344 123.248 119.914 -0.017 0.000 2.555 113 V HA 0.050 4.169 4.120 -0.002 0.000 0.286 113 V C 0.765 176.843 176.094 -0.027 0.000 1.044 113 V CA -0.281 62.006 62.300 -0.022 0.000 1.026 113 V CB 0.707 32.519 31.823 -0.019 0.000 0.981 113 V HN 0.775 nan 8.190 nan 0.000 0.480 114 D N 3.390 123.770 120.400 -0.034 0.000 2.686 114 D HA -0.249 4.390 4.640 -0.002 0.000 0.235 114 D C 1.294 177.572 176.300 -0.036 0.000 1.160 114 D CA 0.945 54.921 54.000 -0.040 0.000 0.645 114 D CB -0.576 40.201 40.800 -0.039 0.000 1.039 114 D HN 0.810 nan 8.370 nan 0.000 0.423 115 A N 0.519 123.325 122.820 -0.022 0.000 1.892 115 A HA -0.005 4.314 4.320 -0.002 0.000 0.218 115 A C 2.523 180.143 177.584 0.059 0.000 1.188 115 A CA 2.682 54.740 52.037 0.035 0.000 0.631 115 A CB -0.864 18.170 19.000 0.056 0.000 0.822 115 A HN 0.860 nan 8.150 nan 0.000 0.447 116 A N -0.451 122.374 122.820 0.008 0.000 2.070 116 A HA -0.164 4.155 4.320 -0.002 0.000 0.220 116 A C 1.812 179.359 177.584 -0.062 0.000 1.159 116 A CA 1.670 53.707 52.037 -0.000 0.000 0.656 116 A CB -0.538 18.414 19.000 -0.080 0.000 0.800 116 A HN 0.550 nan 8.150 nan 0.000 0.453 117 N N -0.560 118.096 118.700 -0.073 0.000 2.446 117 N HA -0.035 4.703 4.740 -0.002 0.000 0.179 117 N C 1.468 176.899 175.510 -0.131 0.000 1.054 117 N CA 0.706 53.701 53.050 -0.093 0.000 0.905 117 N CB -0.217 38.228 38.487 -0.070 0.000 0.973 117 N HN 0.457 nan 8.380 nan 0.000 0.448 118 L N 2.673 123.802 121.223 -0.156 0.000 1.970 118 L HA -0.031 4.308 4.340 -0.002 0.000 0.212 118 L C -0.998 175.714 176.870 -0.263 0.000 1.071 118 L CA 2.104 56.828 54.840 -0.193 0.000 0.751 118 L CB -1.413 40.536 42.059 -0.185 0.000 0.889 118 L HN 0.072 nan 8.230 nan 0.000 0.432 119 P HA -0.068 nan 4.420 nan 0.000 0.241 119 P C -0.083 177.068 177.300 -0.247 0.000 1.191 119 P CA 0.405 63.285 63.100 -0.367 0.000 0.771 119 P CB -0.107 31.251 31.700 -0.570 0.000 0.929 120 R N 1.968 122.341 120.500 -0.211 0.000 2.643 120 R HA 0.130 4.469 4.340 -0.002 0.000 0.270 120 R C -1.394 174.791 176.300 -0.193 0.000 1.061 120 R CA -0.931 55.057 56.100 -0.186 0.000 1.107 120 R CB -0.161 30.055 30.300 -0.140 0.000 0.999 120 R HN 0.116 nan 8.270 nan 0.000 0.460 121 P HA 0.103 nan 4.420 nan 0.000 0.254 121 P C 0.082 177.053 177.300 -0.547 0.000 1.620 121 P CA 0.324 63.229 63.100 -0.324 0.000 1.050 121 P CB 0.303 31.825 31.700 -0.296 0.000 1.539 122 L N -0.029 120.943 121.223 -0.418 0.000 2.653 122 L HA 0.186 4.525 4.340 -0.002 0.000 0.231 122 L C 0.790 177.595 176.870 -0.108 0.000 1.153 122 L CA -0.254 54.337 54.840 -0.415 0.000 0.933 122 L CB 0.325 42.268 42.059 -0.193 0.000 1.175 122 L HN -0.102 nan 8.230 nan 0.000 0.473 123 V N -5.118 114.745 119.914 -0.084 0.000 2.962 123 V HA 0.383 4.502 4.120 -0.002 0.000 0.313 123 V C 0.641 176.957 176.094 0.370 0.000 1.099 123 V CA -1.016 61.423 62.300 0.231 0.000 0.971 123 V CB 2.172 34.080 31.823 0.142 0.000 1.028 123 V HN 0.039 nan 8.190 nan 0.000 0.430 124 K N 0.827 121.540 120.400 0.521 0.000 2.217 124 K HA 0.109 4.428 4.320 -0.002 0.000 0.202 124 K C -0.288 176.567 176.600 0.425 0.000 1.051 124 K CA 1.498 58.070 56.287 0.474 0.000 0.952 124 K CB 0.177 32.885 32.500 0.346 0.000 0.736 124 K HN 0.743 nan 8.250 nan 0.000 0.453 125 W N -0.238 121.159 121.300 0.162 0.000 3.573 125 W HA 0.317 4.976 4.660 -0.001 0.000 0.306 125 W C -1.714 174.901 176.519 0.160 0.000 1.227 125 W CA -0.629 56.791 57.345 0.124 0.000 1.212 125 W CB 1.882 31.391 29.460 0.082 0.000 1.331 125 W HN -0.352 nan 8.180 nan 0.000 0.524 126 S N 4.786 120.188 115.700 -0.497 0.000 2.572 126 S HA 0.735 5.204 4.470 -0.002 0.000 0.274 126 S C -2.277 171.999 174.600 -0.541 0.000 1.150 126 S CA -0.339 57.659 58.200 -0.335 0.000 0.944 126 S CB 0.762 63.913 63.200 -0.081 0.000 1.071 126 S HN 0.514 nan 8.310 nan 0.000 0.479 127 Y N 2.092 122.008 120.300 -0.641 0.000 2.565 127 Y HA 0.503 5.053 4.550 -0.001 0.000 0.330 127 Y C -1.416 174.286 175.900 -0.331 0.000 1.150 127 Y CA -0.642 57.090 58.100 -0.613 0.000 1.055 127 Y CB 1.560 39.346 38.460 -1.123 0.000 1.337 127 Y HN 0.701 nan 8.280 nan 0.000 0.457 128 E N 6.476 126.216 120.200 -0.767 0.000 2.218 128 E HA 0.506 4.855 4.350 -0.002 0.000 0.263 128 E C -2.844 173.269 176.600 -0.812 0.000 0.879 128 E CA -2.460 53.601 56.400 -0.565 0.000 0.762 128 E CB 1.789 31.282 29.700 -0.346 0.000 1.166 128 E HN 0.314 nan 8.360 nan 0.000 0.415 129 P HA 0.082 nan 4.420 nan 0.000 0.272 129 P C -0.361 176.830 177.300 -0.182 0.000 1.223 129 P CA 0.037 63.013 63.100 -0.208 0.000 0.784 129 P CB 1.106 32.814 31.700 0.013 0.000 0.923 130 A N 1.265 124.036 122.820 -0.081 0.000 2.238 130 A HA 0.257 4.576 4.320 -0.002 0.000 0.208 130 A C 0.560 178.118 177.584 -0.044 0.000 1.177 130 A CA 0.916 52.916 52.037 -0.063 0.000 0.804 130 A CB -0.568 18.423 19.000 -0.015 0.000 0.823 130 A HN 0.604 nan 8.150 nan 0.000 0.482 131 S N -3.939 111.740 115.700 -0.035 0.000 2.587 131 S HA 0.611 5.079 4.470 -0.002 0.000 0.269 131 S C 0.625 175.191 174.600 -0.055 0.000 1.154 131 S CA -0.057 58.120 58.200 -0.039 0.000 0.824 131 S CB 1.025 64.217 63.200 -0.013 0.000 1.118 131 S HN 0.922 nan 8.310 nan 0.000 0.462 132 A N 1.378 124.156 122.820 -0.071 0.000 1.902 132 A HA 0.289 4.607 4.320 -0.002 0.000 0.217 132 A C 2.246 179.797 177.584 -0.055 0.000 1.181 132 A CA 1.930 53.907 52.037 -0.099 0.000 0.623 132 A CB -1.522 17.428 19.000 -0.084 0.000 0.818 132 A HN 1.721 nan 8.150 nan 0.000 0.443 133 A N -0.673 122.140 122.820 -0.012 0.000 2.121 133 A HA -0.105 4.214 4.320 -0.002 0.000 0.218 133 A C 1.893 179.501 177.584 0.039 0.000 1.154 133 A CA 1.503 53.550 52.037 0.018 0.000 0.679 133 A CB -0.426 18.586 19.000 0.019 0.000 0.795 133 A HN 0.678 nan 8.150 nan 0.000 0.458 134 E N -0.078 120.151 120.200 0.047 0.000 2.358 134 E HA -0.045 4.304 4.350 -0.002 0.000 0.195 134 E C 1.547 178.227 176.600 0.134 0.000 1.010 134 E CA 0.680 57.151 56.400 0.118 0.000 0.856 134 E CB -0.055 29.733 29.700 0.148 0.000 0.795 134 E HN 0.352 nan 8.360 nan 0.000 0.504 135 V N 1.717 121.653 119.914 0.038 0.000 2.282 135 V HA -0.215 3.904 4.120 -0.002 0.000 0.249 135 V C -0.757 175.392 176.094 0.091 0.000 1.057 135 V CA 2.206 64.507 62.300 0.001 0.000 1.032 135 V CB -1.321 30.369 31.823 -0.222 0.000 0.645 135 V HN 0.307 nan 8.190 nan 0.000 0.447 136 P HA -0.189 nan 4.420 nan 0.000 0.215 136 P C 1.720 179.122 177.300 0.171 0.000 1.153 136 P CA 1.608 64.809 63.100 0.168 0.000 0.853 136 P CB -0.221 31.583 31.700 0.173 0.000 0.788 137 H N -0.142 118.973 119.070 0.074 0.000 2.353 137 H HA -0.091 4.464 4.556 -0.002 0.000 0.300 137 H C 1.730 177.104 175.328 0.076 0.000 1.090 137 H CA 1.624 57.705 56.048 0.055 0.000 1.327 137 H CB -0.210 29.572 29.762 0.033 0.000 1.383 137 H HN -0.022 nan 8.280 nan 0.000 0.508 138 A N 0.961 123.812 122.820 0.051 0.000 1.933 138 A HA -0.184 4.134 4.320 -0.002 0.000 0.218 138 A C 2.450 180.118 177.584 0.140 0.000 1.175 138 A CA 1.673 53.785 52.037 0.125 0.000 0.628 138 A CB -0.643 18.572 19.000 0.358 0.000 0.814 138 A HN 0.489 nan 8.150 nan 0.000 0.444 139 M N -0.222 119.459 119.600 0.135 0.000 2.117 139 M HA -0.078 4.401 4.480 -0.002 0.000 0.262 139 M C 2.289 178.630 176.300 0.069 0.000 1.065 139 M CA 2.072 57.463 55.300 0.152 0.000 1.114 139 M CB -0.557 32.154 32.600 0.185 0.000 1.361 139 M HN 0.386 nan 8.290 nan 0.000 0.408 140 S N -0.151 115.563 115.700 0.023 0.000 2.359 140 S HA -0.190 4.278 4.470 -0.002 0.000 0.224 140 S C 2.060 176.610 174.600 -0.085 0.000 1.035 140 S CA 1.697 59.892 58.200 -0.008 0.000 1.018 140 S CB -0.218 63.021 63.200 0.066 0.000 0.876 140 S HN 0.616 nan 8.310 nan 0.000 0.448 141 R N 0.669 121.018 120.500 -0.252 0.000 2.091 141 R HA -0.044 4.295 4.340 -0.002 0.000 0.238 141 R C 2.673 178.720 176.300 -0.421 0.000 1.136 141 R CA 1.374 57.180 56.100 -0.490 0.000 0.959 141 R CB -0.651 29.073 30.300 -0.961 0.000 0.856 141 R HN 0.515 nan 8.270 nan 0.000 0.437 142 A N 1.300 124.040 122.820 -0.134 0.000 1.877 142 A HA -0.161 4.158 4.320 -0.002 0.000 0.216 142 A C 2.176 179.777 177.584 0.029 0.000 1.186 142 A CA 1.318 53.427 52.037 0.121 0.000 0.620 142 A CB -0.534 18.643 19.000 0.296 0.000 0.822 142 A HN 0.186 nan 8.150 nan 0.000 0.443 143 I N -0.989 119.549 120.570 -0.053 0.000 2.163 143 I HA -0.298 3.871 4.170 -0.002 0.000 0.243 143 I C 2.512 178.500 176.117 -0.214 0.000 1.085 143 I CA 1.555 62.768 61.300 -0.145 0.000 1.347 143 I CB -0.539 37.286 38.000 -0.292 0.000 1.044 143 I HN 0.412 nan 8.210 nan 0.000 0.408 144 H N -0.242 118.803 119.070 -0.040 0.000 2.395 144 H HA -0.026 4.529 4.556 -0.002 0.000 0.299 144 H C 2.356 177.640 175.328 -0.074 0.000 1.070 144 H CA 1.134 57.145 56.048 -0.062 0.000 1.356 144 H CB -0.176 29.528 29.762 -0.098 0.000 1.401 144 H HN 0.246 nan 8.280 nan 0.000 0.524 145 M N 0.520 120.102 119.600 -0.031 0.000 2.149 145 M HA -0.073 4.406 4.480 -0.002 0.000 0.261 145 M C 2.547 178.875 176.300 0.046 0.000 1.064 145 M CA 1.067 56.348 55.300 -0.031 0.000 1.102 145 M CB -1.031 31.512 32.600 -0.094 0.000 1.369 145 M HN 0.217 nan 8.290 nan 0.000 0.408 146 A N -0.829 122.031 122.820 0.066 0.000 1.930 146 A HA -0.080 4.239 4.320 -0.002 0.000 0.217 146 A C 2.425 180.040 177.584 0.052 0.000 1.175 146 A CA 1.987 54.073 52.037 0.082 0.000 0.627 146 A CB -0.544 18.514 19.000 0.096 0.000 0.815 146 A HN 0.498 nan 8.150 nan 0.000 0.443 147 S N -0.898 114.829 115.700 0.045 0.000 2.486 147 S HA 0.242 4.711 4.470 -0.002 0.000 0.220 147 S C 0.808 175.429 174.600 0.035 0.000 1.011 147 S CA -0.026 58.202 58.200 0.047 0.000 0.921 147 S CB -0.157 63.081 63.200 0.063 0.000 0.785 147 S HN 0.527 nan 8.310 nan 0.000 0.517 148 M N 1.899 121.517 119.600 0.030 0.000 2.238 148 M HA 0.299 4.777 4.480 -0.002 0.000 0.347 148 M C 0.327 176.605 176.300 -0.036 0.000 1.173 148 M CA -0.417 54.884 55.300 0.002 0.000 1.147 148 M CB 0.451 33.048 32.600 -0.005 0.000 1.547 148 M HN 0.150 nan 8.290 nan 0.000 0.455 149 A N 5.095 127.878 122.820 -0.061 0.000 2.546 149 A HA 0.297 4.616 4.320 -0.002 0.000 0.243 149 A C -2.203 175.309 177.584 -0.121 0.000 1.063 149 A CA -0.988 50.982 52.037 -0.112 0.000 0.757 149 A CB -0.909 18.030 19.000 -0.100 0.000 0.991 149 A HN 0.500 nan 8.150 nan 0.000 0.503 150 P HA 0.142 nan 4.420 nan 0.000 0.282 150 P C -0.512 176.629 177.300 -0.265 0.000 1.262 150 P CA -0.128 62.751 63.100 -0.368 0.000 0.773 150 P CB 0.652 32.039 31.700 -0.522 0.000 0.879 151 Q N 1.114 120.786 119.800 -0.214 0.000 2.474 151 Q HA 0.504 4.842 4.340 -0.002 0.000 0.256 151 Q C 0.688 176.664 176.000 -0.039 0.000 1.048 151 Q CA 0.374 56.134 55.803 -0.071 0.000 0.922 151 Q CB 0.463 29.190 28.738 -0.018 0.000 1.288 151 Q HN 0.739 nan 8.270 nan 0.000 0.484 152 G N 0.951 109.758 108.800 0.012 0.000 2.451 152 G HA2 0.318 4.276 3.960 -0.002 0.000 0.292 152 G HA3 0.318 4.276 3.960 -0.002 0.000 0.292 152 G C -3.096 171.877 174.900 0.121 0.000 1.427 152 G CA -0.905 44.211 45.100 0.027 0.000 0.792 152 G HN 0.360 nan 8.290 nan 0.000 0.498 153 P HA 0.475 nan 4.420 nan 0.000 0.275 153 P C -0.032 177.421 177.300 0.255 0.000 1.228 153 P CA -0.216 63.007 63.100 0.205 0.000 0.786 153 P CB 1.649 33.474 31.700 0.209 0.000 0.927 154 V N 0.285 120.344 119.914 0.241 0.000 3.102 154 V HA 0.689 4.808 4.120 -0.002 0.000 0.312 154 V C -1.652 174.616 176.094 0.290 0.000 1.135 154 V CA -1.063 61.417 62.300 0.300 0.000 1.022 154 V CB 2.247 34.288 31.823 0.363 0.000 1.056 154 V HN 0.505 nan 8.190 nan 0.000 0.436 155 Y N 2.293 122.646 120.300 0.089 0.000 2.421 155 Y HA 0.833 5.381 4.550 -0.002 0.000 0.339 155 Y C -1.472 174.398 175.900 -0.049 0.000 0.996 155 Y CA -1.172 56.927 58.100 -0.001 0.000 1.046 155 Y CB 2.103 40.536 38.460 -0.045 0.000 1.226 155 Y HN 0.930 nan 8.280 nan 0.000 0.445 156 L N 5.216 126.161 121.223 -0.464 0.000 2.406 156 L HA 0.625 4.964 4.340 -0.002 0.000 0.272 156 L C -1.187 175.340 176.870 -0.571 0.000 0.980 156 L CA -0.204 54.416 54.840 -0.367 0.000 0.831 156 L CB 1.960 43.979 42.059 -0.067 0.000 1.253 156 L HN 0.574 nan 8.230 nan 0.000 0.406 157 S N 4.196 119.613 115.700 -0.471 0.000 2.462 157 S HA 0.840 5.309 4.470 -0.002 0.000 0.294 157 S C -1.070 173.414 174.600 -0.194 0.000 1.144 157 S CA -0.445 57.549 58.200 -0.342 0.000 1.088 157 S CB 0.993 64.043 63.200 -0.251 0.000 1.009 157 S HN 0.458 nan 8.310 nan 0.000 0.484 158 V N 7.402 127.250 119.914 -0.109 0.000 2.443 158 V HA 0.422 4.540 4.120 -0.002 0.000 0.293 158 V C -2.462 173.606 176.094 -0.043 0.000 1.021 158 V CA -2.037 60.194 62.300 -0.116 0.000 0.848 158 V CB 1.553 33.298 31.823 -0.130 0.000 0.998 158 V HN 0.729 nan 8.190 nan 0.000 0.424 159 P HA -0.003 nan 4.420 nan 0.000 0.265 159 P C 0.263 177.558 177.300 -0.008 0.000 1.193 159 P CA 0.120 63.176 63.100 -0.072 0.000 0.765 159 P CB 0.206 31.816 31.700 -0.150 0.000 0.823 160 Y N 2.851 123.217 120.300 0.110 0.000 2.421 160 Y HA -0.144 4.405 4.550 -0.002 0.000 0.292 160 Y C 1.442 177.483 175.900 0.235 0.000 1.136 160 Y CA 1.264 59.528 58.100 0.274 0.000 1.255 160 Y CB -1.279 37.346 38.460 0.276 0.000 0.991 160 Y HN 0.278 nan 8.280 nan 0.000 0.552 161 D N -0.431 119.935 120.400 -0.057 0.000 2.363 161 D HA -0.148 4.491 4.640 -0.002 0.000 0.220 161 D C 0.743 177.046 176.300 0.006 0.000 0.994 161 D CA 0.799 54.799 54.000 0.000 0.000 0.890 161 D CB -0.385 40.312 40.800 -0.172 0.000 0.906 161 D HN 0.372 nan 8.370 nan 0.000 0.530 162 D N 0.535 120.854 120.400 -0.134 0.000 2.178 162 D HA -0.104 4.534 4.640 -0.002 0.000 0.202 162 D C 1.640 177.861 176.300 -0.131 0.000 0.974 162 D CA 0.616 54.477 54.000 -0.232 0.000 0.841 162 D CB -0.551 39.972 40.800 -0.462 0.000 0.953 162 D HN 0.440 nan 8.370 nan 0.000 0.478 163 W N 1.361 122.776 121.300 0.192 0.000 2.363 163 W HA -0.098 4.560 4.660 -0.003 0.000 0.296 163 W C 1.666 178.315 176.519 0.218 0.000 1.212 163 W CA 0.428 57.929 57.345 0.260 0.000 1.260 163 W CB -0.096 29.592 29.460 0.380 0.000 1.131 163 W HN -0.113 nan 8.180 nan 0.000 0.530 164 D N -0.194 120.413 120.400 0.345 0.000 2.355 164 D HA -0.028 4.611 4.640 -0.002 0.000 0.218 164 D C 0.864 177.254 176.300 0.150 0.000 1.004 164 D CA 0.724 54.856 54.000 0.220 0.000 0.880 164 D CB -0.170 40.734 40.800 0.172 0.000 0.911 164 D HN -0.062 nan 8.370 nan 0.000 0.528 165 K N 1.402 121.877 120.400 0.125 0.000 2.180 165 K HA 0.098 4.416 4.320 -0.002 0.000 0.251 165 K C 0.060 176.715 176.600 0.092 0.000 1.014 165 K CA -0.390 55.944 56.287 0.078 0.000 0.913 165 K CB 0.452 32.974 32.500 0.036 0.000 1.008 165 K HN -0.084 nan 8.250 nan 0.000 0.490 166 D N 0.695 121.137 120.400 0.070 0.000 2.425 166 D HA 0.125 4.764 4.640 -0.002 0.000 0.247 166 D C 0.049 176.394 176.300 0.076 0.000 1.147 166 D CA 0.230 54.274 54.000 0.075 0.000 0.879 166 D CB 0.633 41.467 40.800 0.056 0.000 1.179 166 D HN 0.454 nan 8.370 nan 0.000 0.456 167 A N 2.099 124.977 122.820 0.097 0.000 2.304 167 A HA 0.176 4.495 4.320 -0.002 0.000 0.271 167 A C 0.264 177.892 177.584 0.073 0.000 1.091 167 A CA -0.563 51.531 52.037 0.095 0.000 0.812 167 A CB 0.460 19.540 19.000 0.134 0.000 1.056 167 A HN 0.465 nan 8.150 nan 0.000 0.489 168 D N 1.152 121.587 120.400 0.058 0.000 2.401 168 D HA 0.211 4.850 4.640 -0.002 0.000 0.254 168 D C -1.595 174.736 176.300 0.051 0.000 1.192 168 D CA -1.578 52.447 54.000 0.042 0.000 0.885 168 D CB 1.002 41.814 40.800 0.020 0.000 1.147 168 D HN 0.102 nan 8.370 nan 0.000 0.478 169 P HA -0.136 nan 4.420 nan 0.000 0.218 169 P C 1.021 178.399 177.300 0.130 0.000 1.146 169 P CA 0.882 64.041 63.100 0.099 0.000 0.813 169 P CB 0.266 32.020 31.700 0.091 0.000 0.778 170 Q N -1.027 118.809 119.800 0.059 0.000 2.488 170 Q HA 0.021 4.360 4.340 -0.002 0.000 0.211 170 Q C 1.800 177.719 176.000 -0.135 0.000 0.967 170 Q CA 0.777 56.577 55.803 -0.004 0.000 0.926 170 Q CB -0.667 28.086 28.738 0.025 0.000 0.992 170 Q HN 0.271 nan 8.270 nan 0.000 0.506 171 S N 0.532 116.165 115.700 -0.113 0.000 2.500 171 S HA -0.119 4.349 4.470 -0.002 0.000 0.239 171 S C 1.562 175.849 174.600 -0.521 0.000 0.989 171 S CA 0.674 58.758 58.200 -0.194 0.000 0.951 171 S CB -0.338 62.820 63.200 -0.069 0.000 0.759 171 S HN 0.603 nan 8.310 nan 0.000 0.523 172 H N 0.318 119.048 119.070 -0.567 0.000 2.456 172 H HA -0.036 4.518 4.556 -0.002 0.000 0.296 172 H C 1.310 176.219 175.328 -0.698 0.000 1.079 172 H CA 1.273 56.729 56.048 -0.987 0.000 1.322 172 H CB -0.622 28.857 29.762 -0.471 0.000 1.388 172 H HN 0.513 nan 8.280 nan 0.000 0.538 173 H N 0.938 119.552 119.070 -0.761 0.000 2.521 173 H HA 0.014 4.569 4.556 -0.002 0.000 0.286 173 H C 2.378 177.573 175.328 -0.223 0.000 1.034 173 H CA 0.837 56.636 56.048 -0.415 0.000 1.278 173 H CB 0.351 29.879 29.762 -0.390 0.000 1.386 173 H HN 0.404 nan 8.280 nan 0.000 0.567 174 L N -0.490 120.634 121.223 -0.165 0.000 2.156 174 L HA -0.117 4.222 4.340 -0.002 0.000 0.208 174 L C 2.138 179.080 176.870 0.119 0.000 1.095 174 L CA 0.395 55.230 54.840 -0.009 0.000 0.770 174 L CB -0.437 41.633 42.059 0.019 0.000 0.914 174 L HN 0.066 nan 8.230 nan 0.000 0.439 175 F N 0.551 120.542 119.950 0.069 0.000 2.095 175 F HA -0.222 4.304 4.527 -0.003 0.000 0.298 175 F C 1.823 177.629 175.800 0.011 0.000 1.104 175 F CA 1.081 59.114 58.000 0.054 0.000 1.232 175 F CB -0.592 38.447 39.000 0.064 0.000 0.987 175 F HN 0.137 nan 8.300 nan 0.000 0.475 176 D N -0.428 120.077 120.400 0.174 0.000 2.463 176 D HA 0.073 4.711 4.640 -0.002 0.000 0.224 176 D C 0.270 176.434 176.300 -0.227 0.000 1.174 176 D CA -0.057 53.930 54.000 -0.022 0.000 0.829 176 D CB -0.022 40.812 40.800 0.057 0.000 0.993 176 D HN 0.109 nan 8.370 nan 0.000 0.497 177 R N 1.160 121.607 120.500 -0.088 0.000 2.522 177 R HA 0.090 4.428 4.340 -0.002 0.000 0.284 177 R C 0.121 176.279 176.300 -0.237 0.000 1.032 177 R CA 0.344 56.373 56.100 -0.119 0.000 1.049 177 R CB 0.428 30.698 30.300 -0.050 0.000 0.956 177 R HN 0.161 nan 8.270 nan 0.000 0.422 178 H N 2.069 121.147 119.070 0.013 0.000 2.504 178 H HA 0.269 4.824 4.556 -0.000 0.000 0.322 178 H C -0.587 174.701 175.328 -0.066 0.000 1.055 178 H CA -0.632 55.425 56.048 0.015 0.000 1.231 178 H CB 1.603 31.380 29.762 0.024 0.000 1.417 178 H HN 0.183 nan 8.280 nan 0.000 0.472 179 V N 2.789 122.713 119.914 0.017 0.000 2.407 179 V HA 0.173 4.292 4.120 -0.002 0.000 0.291 179 V C 0.217 176.322 176.094 0.018 0.000 1.018 179 V CA -0.546 61.713 62.300 -0.068 0.000 0.842 179 V CB 1.740 33.411 31.823 -0.253 0.000 0.996 179 V HN 0.716 nan 8.190 nan 0.000 0.426 180 S N 2.845 118.548 115.700 0.005 0.000 2.472 180 S HA 0.567 5.035 4.470 -0.002 0.000 0.303 180 S C 0.525 175.121 174.600 -0.007 0.000 1.099 180 S CA -0.006 58.200 58.200 0.010 0.000 1.077 180 S CB 1.622 64.826 63.200 0.007 0.000 1.031 180 S HN 0.946 nan 8.310 nan 0.000 0.487 181 S N 2.319 118.016 115.700 -0.006 0.000 2.741 181 S HA 0.209 4.678 4.470 -0.002 0.000 0.247 181 S C 0.185 174.774 174.600 -0.017 0.000 1.050 181 S CA -0.458 57.732 58.200 -0.018 0.000 1.025 181 S CB 0.301 63.486 63.200 -0.026 0.000 0.897 181 S HN 0.505 nan 8.310 nan 0.000 0.508 182 S N 2.653 118.347 115.700 -0.011 0.000 3.869 182 S HA 0.457 4.925 4.470 -0.002 0.000 0.241 182 S C 0.174 174.766 174.600 -0.013 0.000 1.363 182 S CA -0.399 57.794 58.200 -0.011 0.000 0.894 182 S CB -1.071 62.126 63.200 -0.005 0.000 1.519 182 S HN 0.665 nan 8.310 nan 0.000 0.470 183 V N 2.696 122.600 119.914 -0.017 0.000 2.960 183 V HA 0.987 5.106 4.120 -0.002 0.000 0.315 183 V C -0.681 175.403 176.094 -0.017 0.000 1.087 183 V CA -1.355 60.935 62.300 -0.017 0.000 0.982 183 V CB 1.826 33.637 31.823 -0.020 0.000 1.039 183 V HN 0.744 nan 8.190 nan 0.000 0.437 184 R N 2.220 122.711 120.500 -0.015 0.000 2.799 184 R HA 0.763 5.102 4.340 -0.002 0.000 0.270 184 R C -1.043 175.249 176.300 -0.013 0.000 1.010 184 R CA -1.001 55.091 56.100 -0.014 0.000 0.916 184 R CB 0.792 31.086 30.300 -0.010 0.000 1.228 184 R HN 0.809 nan 8.270 nan 0.000 0.469 185 L N 2.169 123.384 121.223 -0.013 0.000 2.559 185 L HA 0.143 4.481 4.340 -0.002 0.000 0.282 185 L C -0.359 176.505 176.870 -0.010 0.000 1.232 185 L CA 0.531 55.364 54.840 -0.012 0.000 0.885 185 L CB -0.130 41.923 42.059 -0.011 0.000 1.131 185 L HN 0.926 nan 8.230 nan 0.000 0.498 186 N N 2.021 120.715 118.700 -0.010 0.000 2.305 186 N HA -0.074 4.665 4.740 -0.002 0.000 0.232 186 N C 0.408 175.914 175.510 -0.007 0.000 1.274 186 N CA 0.202 53.248 53.050 -0.008 0.000 0.870 186 N CB 0.261 38.743 38.487 -0.008 0.000 1.105 186 N HN 0.602 nan 8.380 nan 0.000 0.436 187 D N -0.195 120.202 120.400 -0.006 0.000 2.123 187 D HA -0.240 4.399 4.640 -0.002 0.000 0.196 187 D C 1.571 177.869 176.300 -0.004 0.000 0.992 187 D CA 1.390 55.387 54.000 -0.005 0.000 0.833 187 D CB -0.332 40.466 40.800 -0.004 0.000 0.954 187 D HN 0.829 nan 8.370 nan 0.000 0.455 188 Q N 0.368 120.166 119.800 -0.004 0.000 2.050 188 Q HA -0.162 4.177 4.340 -0.002 0.000 0.202 188 Q C 1.169 177.167 176.000 -0.004 0.000 0.980 188 Q CA 1.525 57.326 55.803 -0.004 0.000 0.840 188 Q CB 0.167 28.903 28.738 -0.004 0.000 0.898 188 Q HN 0.117 nan 8.270 nan 0.000 0.424 189 D N 0.260 120.657 120.400 -0.005 0.000 2.234 189 D HA -0.102 4.537 4.640 -0.002 0.000 0.205 189 D C 1.863 178.160 176.300 -0.005 0.000 0.962 189 D CA 0.366 54.363 54.000 -0.006 0.000 0.855 189 D CB -0.028 40.767 40.800 -0.007 0.000 0.951 189 D HN 0.226 nan 8.370 nan 0.000 0.500 190 L N 1.268 122.489 121.223 -0.005 0.000 2.083 190 L HA -0.132 4.207 4.340 -0.002 0.000 0.209 190 L C 1.404 178.273 176.870 -0.002 0.000 1.083 190 L CA 1.751 56.589 54.840 -0.004 0.000 0.752 190 L CB -0.376 41.681 42.059 -0.004 0.000 0.899 190 L HN -0.180 nan 8.230 nan 0.000 0.433 191 D N -0.519 119.880 120.400 -0.001 0.000 2.144 191 D HA -0.141 4.497 4.640 -0.002 0.000 0.200 191 D C 2.338 178.639 176.300 0.001 0.000 0.978 191 D CA 1.462 55.462 54.000 0.000 0.000 0.833 191 D CB -0.014 40.785 40.800 -0.000 0.000 0.961 191 D HN 0.411 nan 8.370 nan 0.000 0.470 192 I N 0.490 121.060 120.570 -0.000 0.000 2.179 192 I HA -0.256 3.913 4.170 -0.002 0.000 0.242 192 I C 2.350 178.468 176.117 0.001 0.000 1.088 192 I CA 0.533 61.833 61.300 -0.000 0.000 1.357 192 I CB -0.142 37.857 38.000 -0.002 0.000 1.051 192 I HN 0.030 nan 8.210 nan 0.000 0.409 193 L N 0.519 121.742 121.223 -0.000 0.000 2.017 193 L HA -0.162 4.176 4.340 -0.002 0.000 0.208 193 L C 2.410 179.282 176.870 0.004 0.000 1.073 193 L CA 1.822 56.662 54.840 0.000 0.000 0.745 193 L CB -0.599 41.459 42.059 -0.002 0.000 0.894 193 L HN -0.019 nan 8.230 nan 0.000 0.432 194 V N -0.165 119.751 119.914 0.004 0.000 2.332 194 V HA -0.328 3.790 4.120 -0.002 0.000 0.248 194 V C 2.620 178.719 176.094 0.008 0.000 1.055 194 V CA 2.210 64.514 62.300 0.006 0.000 1.038 194 V CB -0.673 31.153 31.823 0.006 0.000 0.651 194 V HN 0.477 nan 8.190 nan 0.000 0.450 195 K N 0.154 120.558 120.400 0.006 0.000 2.097 195 K HA -0.126 4.193 4.320 -0.002 0.000 0.206 195 K C 2.260 178.865 176.600 0.009 0.000 1.049 195 K CA 1.438 57.729 56.287 0.007 0.000 0.933 195 K CB -0.420 32.083 32.500 0.005 0.000 0.717 195 K HN 0.493 nan 8.250 nan 0.000 0.442 196 A N 1.156 123.981 122.820 0.008 0.000 1.930 196 A HA -0.115 4.204 4.320 -0.002 0.000 0.217 196 A C 2.073 179.666 177.584 0.015 0.000 1.175 196 A CA 1.200 53.243 52.037 0.010 0.000 0.627 196 A CB -0.524 18.480 19.000 0.008 0.000 0.815 196 A HN 0.145 nan 8.150 nan 0.000 0.443 197 L N -0.461 120.771 121.223 0.014 0.000 2.027 197 L HA -0.157 4.182 4.340 -0.002 0.000 0.206 197 L C 2.197 179.079 176.870 0.020 0.000 1.074 197 L CA 1.120 55.971 54.840 0.018 0.000 0.745 197 L CB -0.659 41.410 42.059 0.016 0.000 0.898 197 L HN 0.310 nan 8.230 nan 0.000 0.433 198 N N -0.044 118.666 118.700 0.017 0.000 2.223 198 N HA -0.138 4.600 4.740 -0.002 0.000 0.185 198 N C 1.939 177.460 175.510 0.018 0.000 1.016 198 N CA 1.662 54.722 53.050 0.017 0.000 0.863 198 N CB -0.215 38.280 38.487 0.014 0.000 0.983 198 N HN 0.368 nan 8.380 nan 0.000 0.429 199 S N -0.775 114.935 115.700 0.017 0.000 2.558 199 S HA 0.341 4.809 4.470 -0.002 0.000 0.217 199 S C 0.886 175.499 174.600 0.020 0.000 0.975 199 S CA -0.339 57.870 58.200 0.016 0.000 0.912 199 S CB 0.022 63.230 63.200 0.013 0.000 0.776 199 S HN 0.307 nan 8.310 nan 0.000 0.526 200 A N 2.289 125.124 122.820 0.026 0.000 2.511 200 A HA 0.486 4.805 4.320 -0.002 0.000 0.242 200 A C 1.392 178.998 177.584 0.036 0.000 1.069 200 A CA 0.125 52.183 52.037 0.034 0.000 0.763 200 A CB 0.200 19.226 19.000 0.043 0.000 1.001 200 A HN 0.555 nan 8.150 nan 0.000 0.498 201 S N 0.981 116.703 115.700 0.036 0.000 2.478 201 S HA 0.035 4.504 4.470 -0.002 0.000 0.222 201 S C 0.622 175.249 174.600 0.045 0.000 1.008 201 S CA 0.805 59.024 58.200 0.031 0.000 0.928 201 S CB -0.092 63.119 63.200 0.018 0.000 0.781 201 S HN 0.774 nan 8.310 nan 0.000 0.518 202 N N 1.926 120.670 118.700 0.073 0.000 2.700 202 N HA 0.372 5.111 4.740 -0.002 0.000 0.242 202 N C -3.278 172.386 175.510 0.257 0.000 1.541 202 N CA -1.607 51.520 53.050 0.128 0.000 0.764 202 N CB 1.349 39.858 38.487 0.037 0.000 1.319 202 N HN 0.142 nan 8.380 nan 0.000 0.518 203 P HA 0.346 nan 4.420 nan 0.000 0.272 203 P C -0.967 176.386 177.300 0.089 0.000 1.230 203 P CA -0.300 62.877 63.100 0.128 0.000 0.788 203 P CB 1.441 33.181 31.700 0.066 0.000 0.949 204 A N 2.409 125.209 122.820 -0.034 0.000 2.454 204 A HA 0.786 5.104 4.320 -0.002 0.000 0.302 204 A C -0.802 176.760 177.584 -0.037 0.000 1.079 204 A CA -0.833 51.123 52.037 -0.136 0.000 0.731 204 A CB 1.121 19.887 19.000 -0.389 0.000 1.299 204 A HN 0.447 nan 8.150 nan 0.000 0.413 205 I N 1.077 121.635 120.570 -0.019 0.000 2.545 205 I HA 0.509 4.678 4.170 -0.002 0.000 0.292 205 I C -1.032 175.096 176.117 0.018 0.000 1.040 205 I CA -0.951 60.335 61.300 -0.024 0.000 1.068 205 I CB 2.247 40.198 38.000 -0.081 0.000 1.251 205 I HN 0.320 nan 8.210 nan 0.000 0.424 206 V N 6.895 126.826 119.914 0.028 0.000 2.487 206 V HA 0.511 4.629 4.120 -0.002 0.000 0.298 206 V C -0.308 175.805 176.094 0.031 0.000 1.028 206 V CA -0.526 61.799 62.300 0.042 0.000 0.860 206 V CB 1.952 33.819 31.823 0.073 0.000 0.991 206 V HN 0.458 nan 8.190 nan 0.000 0.427 207 L N 3.870 125.101 121.223 0.014 0.000 2.346 207 L HA 0.899 5.238 4.340 -0.002 0.000 0.276 207 L C 0.661 177.563 176.870 0.054 0.000 1.006 207 L CA -0.289 54.575 54.840 0.039 0.000 0.817 207 L CB 2.057 44.148 42.059 0.053 0.000 1.272 207 L HN 0.770 nan 8.230 nan 0.000 0.421 208 G N 1.007 109.847 108.800 0.067 0.000 3.075 208 G HA2 0.530 4.489 3.960 -0.002 0.000 0.253 208 G HA3 0.530 4.489 3.960 -0.002 0.000 0.253 208 G C -2.206 172.752 174.900 0.096 0.000 1.353 208 G CA -0.791 44.354 45.100 0.075 0.000 1.051 208 G HN 0.402 nan 8.290 nan 0.000 0.553 209 P HA -0.001 nan 4.420 nan 0.000 0.221 209 P C 0.528 177.895 177.300 0.113 0.000 1.150 209 P CA 0.881 64.052 63.100 0.119 0.000 0.800 209 P CB 0.329 32.098 31.700 0.115 0.000 0.787 210 D N -0.212 120.254 120.400 0.110 0.000 2.310 210 D HA -0.062 4.577 4.640 -0.002 0.000 0.212 210 D C 2.016 178.358 176.300 0.070 0.000 0.965 210 D CA 0.586 54.644 54.000 0.098 0.000 0.879 210 D CB -0.271 40.584 40.800 0.091 0.000 0.921 210 D HN 0.052 nan 8.370 nan 0.000 0.510 211 V N 1.154 121.113 119.914 0.074 0.000 2.261 211 V HA -0.243 3.876 4.120 -0.002 0.000 0.246 211 V C 2.209 178.343 176.094 0.068 0.000 1.047 211 V CA 1.883 64.224 62.300 0.069 0.000 1.015 211 V CB -0.371 31.503 31.823 0.085 0.000 0.642 211 V HN 0.071 nan 8.190 nan 0.000 0.446 212 D N 0.012 120.459 120.400 0.079 0.000 2.144 212 D HA -0.120 4.519 4.640 -0.002 0.000 0.199 212 D C 2.101 178.445 176.300 0.072 0.000 0.984 212 D CA 1.382 55.422 54.000 0.068 0.000 0.834 212 D CB -0.148 40.689 40.800 0.061 0.000 0.955 212 D HN 0.365 nan 8.370 nan 0.000 0.465 213 A N 0.296 123.168 122.820 0.086 0.000 1.933 213 A HA 0.022 4.341 4.320 -0.002 0.000 0.218 213 A C 2.245 179.861 177.584 0.055 0.000 1.175 213 A CA 1.935 54.023 52.037 0.085 0.000 0.628 213 A CB -0.804 18.252 19.000 0.093 0.000 0.814 213 A HN 0.303 nan 8.150 nan 0.000 0.444 214 A N -1.381 121.465 122.820 0.043 0.000 2.208 214 A HA 0.165 4.484 4.320 -0.002 0.000 0.209 214 A C 1.021 178.619 177.584 0.023 0.000 1.161 214 A CA 0.826 52.879 52.037 0.027 0.000 0.782 214 A CB -0.471 18.541 19.000 0.020 0.000 0.816 214 A HN 0.587 nan 8.150 nan 0.000 0.477 215 N N -2.097 116.620 118.700 0.028 0.000 2.727 215 N HA -0.222 4.517 4.740 -0.002 0.000 0.249 215 N C 0.513 176.030 175.510 0.012 0.000 1.048 215 N CA 0.933 53.993 53.050 0.018 0.000 0.714 215 N CB -1.379 37.114 38.487 0.010 0.000 0.959 215 N HN 0.600 nan 8.380 nan 0.000 0.544 216 A N -0.803 122.030 122.820 0.022 0.000 2.307 216 A HA 0.157 4.476 4.320 -0.002 0.000 0.218 216 A C 1.691 179.290 177.584 0.026 0.000 1.228 216 A CA 0.523 52.573 52.037 0.022 0.000 0.857 216 A CB -0.009 19.008 19.000 0.029 0.000 0.897 216 A HN 0.482 nan 8.150 nan 0.000 0.495 217 N N 1.765 120.475 118.700 0.017 0.000 2.036 217 N HA -0.182 4.557 4.740 -0.002 0.000 0.195 217 N C 1.814 177.289 175.510 -0.058 0.000 1.037 217 N CA 1.965 55.014 53.050 -0.000 0.000 0.855 217 N CB -0.479 37.988 38.487 -0.035 0.000 1.033 217 N HN 0.446 nan 8.380 nan 0.000 0.423 218 A N 0.880 123.660 122.820 -0.066 0.000 1.933 218 A HA -0.144 4.174 4.320 -0.002 0.000 0.218 218 A C 1.659 179.214 177.584 -0.049 0.000 1.175 218 A CA 1.606 53.593 52.037 -0.084 0.000 0.628 218 A CB -0.466 18.498 19.000 -0.061 0.000 0.814 218 A HN 0.150 nan 8.150 nan 0.000 0.444 219 D N -0.438 119.953 120.400 -0.014 0.000 2.144 219 D HA -0.115 4.524 4.640 -0.002 0.000 0.199 219 D C 1.977 178.295 176.300 0.030 0.000 0.984 219 D CA 1.335 55.339 54.000 0.006 0.000 0.834 219 D CB -0.496 40.311 40.800 0.011 0.000 0.955 219 D HN 0.453 nan 8.370 nan 0.000 0.465 220 C N 0.273 119.608 119.300 0.058 0.000 2.435 220 C HA -0.041 4.417 4.460 -0.002 0.000 0.279 220 C C 2.922 178.038 174.990 0.210 0.000 1.321 220 C CA -0.004 59.097 59.018 0.137 0.000 1.752 220 C CB -0.736 27.128 27.740 0.206 0.000 1.959 220 C HN 0.163 nan 8.230 nan 0.000 0.500 221 V N 1.011 120.956 119.914 0.050 0.000 2.295 221 V HA -0.326 3.793 4.120 -0.002 0.000 0.246 221 V C 2.440 178.531 176.094 -0.006 0.000 1.049 221 V CA 2.437 64.659 62.300 -0.130 0.000 1.024 221 V CB -0.667 30.901 31.823 -0.425 0.000 0.648 221 V HN 0.632 nan 8.190 nan 0.000 0.447 222 M N -0.572 119.030 119.600 0.004 0.000 2.117 222 M HA -0.186 4.293 4.480 -0.002 0.000 0.262 222 M C 2.100 178.429 176.300 0.048 0.000 1.065 222 M CA 1.986 57.303 55.300 0.028 0.000 1.114 222 M CB -0.209 32.400 32.600 0.015 0.000 1.361 222 M HN 0.355 nan 8.290 nan 0.000 0.408 223 L N 0.947 122.202 121.223 0.053 0.000 2.012 223 L HA -0.097 4.242 4.340 -0.002 0.000 0.210 223 L C 2.472 179.378 176.870 0.060 0.000 1.073 223 L CA 2.359 57.230 54.840 0.051 0.000 0.748 223 L CB -1.037 41.051 42.059 0.048 0.000 0.891 223 L HN 0.362 nan 8.230 nan 0.000 0.431 224 A N -1.050 121.822 122.820 0.086 0.000 1.930 224 A HA -0.192 4.126 4.320 -0.002 0.000 0.217 224 A C 2.160 179.809 177.584 0.108 0.000 1.175 224 A CA 1.667 53.753 52.037 0.082 0.000 0.627 224 A CB -0.577 18.488 19.000 0.107 0.000 0.815 224 A HN 0.616 nan 8.150 nan 0.000 0.443 225 E N -0.552 119.726 120.200 0.130 0.000 2.072 225 E HA -0.147 4.202 4.350 -0.002 0.000 0.191 225 E C 2.339 178.988 176.600 0.081 0.000 0.985 225 E CA 0.770 57.250 56.400 0.132 0.000 0.801 225 E CB -0.142 29.642 29.700 0.141 0.000 0.750 225 E HN 0.386 nan 8.360 nan 0.000 0.452 226 R N 0.506 121.043 120.500 0.062 0.000 2.083 226 R HA -0.099 4.240 4.340 -0.002 0.000 0.237 226 R C 2.305 178.630 176.300 0.042 0.000 1.137 226 R CA 0.973 57.100 56.100 0.045 0.000 0.951 226 R CB -0.496 29.825 30.300 0.036 0.000 0.851 226 R HN 0.261 nan 8.270 nan 0.000 0.434 227 L N 1.139 122.387 121.223 0.043 0.000 2.554 227 L HA 0.027 4.366 4.340 -0.002 0.000 0.226 227 L C 0.168 177.064 176.870 0.042 0.000 1.137 227 L CA 0.149 55.012 54.840 0.038 0.000 0.863 227 L CB -0.098 41.980 42.059 0.033 0.000 0.985 227 L HN 0.047 nan 8.230 nan 0.000 0.451 228 K N -0.098 120.332 120.400 0.050 0.000 3.148 228 K HA -0.177 4.142 4.320 -0.002 0.000 0.267 228 K C -0.040 176.586 176.600 0.043 0.000 0.996 228 K CA 0.872 57.190 56.287 0.051 0.000 0.737 228 K CB -1.938 30.588 32.500 0.042 0.000 1.308 228 K HN 0.341 nan 8.250 nan 0.000 0.470 229 A N 1.075 123.913 122.820 0.030 0.000 2.337 229 A HA 0.683 5.002 4.320 -0.002 0.000 0.329 229 A C -2.137 175.401 177.584 -0.077 0.000 1.146 229 A CA -1.499 50.535 52.037 -0.004 0.000 0.800 229 A CB 1.076 20.068 19.000 -0.013 0.000 1.220 229 A HN -0.021 nan 8.150 nan 0.000 0.472 230 P HA 0.287 nan 4.420 nan 0.000 0.272 230 P C -0.744 176.277 177.300 -0.464 0.000 1.223 230 P CA 0.026 62.900 63.100 -0.377 0.000 0.784 230 P CB 0.971 32.355 31.700 -0.526 0.000 0.923 231 V N 3.344 122.865 119.914 -0.654 0.000 2.483 231 V HA 0.356 4.475 4.120 -0.002 0.000 0.297 231 V C -0.141 175.490 176.094 -0.772 0.000 1.027 231 V CA -0.471 61.452 62.300 -0.628 0.000 0.855 231 V CB 1.727 32.965 31.823 -0.975 0.000 0.995 231 V HN 0.608 nan 8.190 nan 0.000 0.424 232 W N 2.766 123.792 121.300 -0.457 0.000 2.647 232 W HA 0.665 5.323 4.660 -0.003 0.000 0.353 232 W C -0.674 175.618 176.519 -0.378 0.000 1.080 232 W CA -0.737 56.307 57.345 -0.501 0.000 1.208 232 W CB 2.170 31.372 29.460 -0.431 0.000 1.396 232 W HN 0.268 nan 8.180 nan 0.000 0.573 233 V N 2.429 122.237 119.914 -0.176 0.000 2.432 233 V HA 0.334 4.453 4.120 -0.002 0.000 0.275 233 V C 0.706 176.669 176.094 -0.218 0.000 1.043 233 V CA -0.877 61.316 62.300 -0.177 0.000 0.925 233 V CB 0.343 31.960 31.823 -0.344 0.000 0.985 233 V HN 0.580 nan 8.190 nan 0.000 0.466 234 A N 8.437 131.178 122.820 -0.131 0.000 2.507 234 A HA 0.430 4.749 4.320 -0.002 0.000 0.235 234 A C -1.813 175.657 177.584 -0.190 0.000 1.070 234 A CA -0.701 51.248 52.037 -0.146 0.000 0.768 234 A CB -0.373 18.637 19.000 0.017 0.000 1.011 234 A HN 0.705 nan 8.150 nan 0.000 0.502 235 P HA 0.131 nan 4.420 nan 0.000 0.272 235 P C -0.048 177.198 177.300 -0.089 0.000 1.240 235 P CA 0.357 63.340 63.100 -0.195 0.000 0.791 235 P CB 0.503 32.087 31.700 -0.192 0.000 0.978 236 S N -2.159 113.498 115.700 -0.072 0.000 3.641 236 S HA -0.168 4.301 4.470 -0.002 0.000 0.346 236 S C 0.591 175.246 174.600 0.092 0.000 1.074 236 S CA 0.693 58.906 58.200 0.022 0.000 1.026 236 S CB -2.230 61.028 63.200 0.097 0.000 0.908 236 S HN 0.932 nan 8.310 nan 0.000 0.479 237 A N 0.810 123.655 122.820 0.041 0.000 2.515 237 A HA 0.419 4.738 4.320 -0.002 0.000 0.263 237 A C -0.614 177.230 177.584 0.434 0.000 1.096 237 A CA -0.748 51.400 52.037 0.184 0.000 0.769 237 A CB 0.117 19.195 19.000 0.131 0.000 1.040 237 A HN 0.286 nan 8.150 nan 0.000 0.505 238 P HA 0.035 nan 4.420 nan 0.000 0.231 238 P C 0.252 177.779 177.300 0.378 0.000 1.168 238 P CA 0.925 64.246 63.100 0.369 0.000 0.779 238 P CB 0.318 32.117 31.700 0.165 0.000 0.844 239 R N -2.691 118.036 120.500 0.379 0.000 2.831 239 R HA 0.565 4.904 4.340 -0.002 0.000 0.266 239 R C -1.407 175.115 176.300 0.370 0.000 1.051 239 R CA -0.822 55.437 56.100 0.265 0.000 0.943 239 R CB 1.165 31.519 30.300 0.090 0.000 1.228 239 R HN -0.145 nan 8.270 nan 0.000 0.467 240 C N 2.859 122.291 119.300 0.219 0.000 2.281 240 C HA 0.525 4.984 4.460 -0.002 0.000 0.323 240 C C -1.729 173.359 174.990 0.163 0.000 1.270 240 C CA -1.937 57.236 59.018 0.258 0.000 1.559 240 C CB 0.798 28.555 27.740 0.028 0.000 2.239 240 C HN 0.628 nan 8.230 nan 0.000 0.488 241 P HA 0.215 nan 4.420 nan 0.000 0.268 241 P C -0.307 177.140 177.300 0.245 0.000 1.329 241 P CA 0.267 63.477 63.100 0.183 0.000 0.899 241 P CB 0.129 31.939 31.700 0.183 0.000 1.378 242 F N 1.111 121.046 119.950 -0.025 0.000 2.665 242 F HA 0.474 4.998 4.527 -0.004 0.000 0.308 242 F C -2.702 172.931 175.800 -0.278 0.000 1.112 242 F CA -2.412 55.520 58.000 -0.113 0.000 0.972 242 F CB 1.845 40.838 39.000 -0.013 0.000 1.295 242 F HN -0.360 nan 8.300 nan 0.000 0.440 243 P HA 0.117 nan 4.420 nan 0.000 0.267 243 P C 0.377 177.440 177.300 -0.395 0.000 1.209 243 P CA 0.170 63.057 63.100 -0.354 0.000 0.763 243 P CB 0.557 32.065 31.700 -0.320 0.000 0.816 244 T N 0.226 114.500 114.554 -0.467 0.000 3.148 244 T HA 0.058 4.406 4.350 -0.002 0.000 0.253 244 T C 1.040 175.646 174.700 -0.155 0.000 1.134 244 T CA 0.417 62.085 62.100 -0.720 0.000 1.051 244 T CB -0.256 68.363 68.868 -0.415 0.000 0.959 244 T HN 0.167 nan 8.240 nan 0.000 0.525 245 R N 0.516 120.981 120.500 -0.058 0.000 2.509 245 R HA 0.212 4.551 4.340 -0.002 0.000 0.300 245 R C 0.228 176.570 176.300 0.071 0.000 0.985 245 R CA -0.347 55.776 56.100 0.037 0.000 1.092 245 R CB -0.338 29.962 30.300 -0.000 0.000 1.237 245 R HN 0.582 nan 8.270 nan 0.000 0.546 246 H N 2.360 121.443 119.070 0.022 0.000 2.897 246 H HA 0.045 4.600 4.556 -0.002 0.000 0.347 246 H C -1.530 173.888 175.328 0.149 0.000 1.068 246 H CA -1.099 54.989 56.048 0.068 0.000 1.426 246 H CB 1.704 31.501 29.762 0.058 0.000 1.410 246 H HN -0.188 nan 8.280 nan 0.000 0.597 247 P HA -0.125 nan 4.420 nan 0.000 0.219 247 P C 1.345 178.708 177.300 0.105 0.000 1.146 247 P CA 1.081 64.159 63.100 -0.037 0.000 0.808 247 P CB 0.064 31.675 31.700 -0.149 0.000 0.779 248 C N -2.868 116.624 119.300 0.320 0.000 2.468 248 C HA 0.091 4.550 4.460 -0.002 0.000 0.277 248 C C 1.324 176.336 174.990 0.037 0.000 1.400 248 C CA -0.561 58.578 59.018 0.202 0.000 1.770 248 C CB -1.828 26.078 27.740 0.277 0.000 1.905 248 C HN 0.108 nan 8.230 nan 0.000 0.519 249 F N 2.036 122.029 119.950 0.071 0.000 2.538 249 F HA 0.200 4.725 4.527 -0.003 0.000 0.371 249 F C 1.307 176.932 175.800 -0.292 0.000 1.087 249 F CA 0.284 58.208 58.000 -0.127 0.000 1.250 249 F CB 0.462 39.539 39.000 0.128 0.000 1.110 249 F HN -0.012 nan 8.300 nan 0.000 0.570 250 R N 3.642 123.412 120.500 -1.216 0.000 2.509 250 R HA 0.314 4.653 4.340 -0.002 0.000 0.297 250 R C 0.651 176.316 176.300 -1.057 0.000 0.951 250 R CA 0.373 55.786 56.100 -1.144 0.000 1.103 250 R CB 0.021 29.260 30.300 -1.769 0.000 1.283 250 R HN 0.976 nan 8.270 nan 0.000 0.534 251 G N 1.411 109.225 108.800 -1.642 0.000 2.660 251 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.215 251 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.215 251 G C -0.935 173.566 174.900 -0.664 0.000 1.345 251 G CA -0.476 44.048 45.100 -0.959 0.000 0.877 251 G HN 0.174 nan 8.290 nan 0.000 0.549 252 L N 0.794 121.659 121.223 -0.597 0.000 2.360 252 L HA 0.671 5.010 4.340 -0.002 0.000 0.276 252 L C 1.149 177.798 176.870 -0.368 0.000 1.121 252 L CA -0.047 54.378 54.840 -0.692 0.000 0.845 252 L CB 0.530 41.971 42.059 -1.030 0.000 1.143 252 L HN 0.587 nan 8.230 nan 0.000 0.452 253 M N 7.022 126.421 119.600 -0.336 0.000 2.228 253 M HA 0.238 4.717 4.480 -0.002 0.000 0.351 253 M C -1.949 174.179 176.300 -0.286 0.000 1.233 253 M CA -1.400 53.702 55.300 -0.330 0.000 1.129 253 M CB 0.281 32.603 32.600 -0.465 0.000 1.604 253 M HN 0.474 nan 8.290 nan 0.000 0.457 254 P HA 0.014 nan 4.420 nan 0.000 0.266 254 P C -0.783 176.438 177.300 -0.131 0.000 1.195 254 P CA 0.029 63.031 63.100 -0.164 0.000 0.768 254 P CB 0.533 32.154 31.700 -0.133 0.000 0.838 255 A N 3.084 125.864 122.820 -0.065 0.000 3.135 255 A HA 0.517 4.836 4.320 -0.002 0.000 0.253 255 A C 0.682 178.358 177.584 0.153 0.000 1.638 255 A CA 0.187 52.251 52.037 0.046 0.000 1.295 255 A CB -1.169 17.887 19.000 0.093 0.000 1.106 255 A HN 0.580 nan 8.150 nan 0.000 0.648 256 G N -0.683 108.195 108.800 0.130 0.000 2.638 256 G HA2 0.484 4.443 3.960 -0.002 0.000 0.302 256 G HA3 0.484 4.443 3.960 -0.002 0.000 0.302 256 G C 0.550 175.421 174.900 -0.047 0.000 1.365 256 G CA -0.643 44.473 45.100 0.028 0.000 0.987 256 G HN 0.166 nan 8.290 nan 0.000 0.495 257 I N 1.470 121.796 120.570 -0.408 0.000 2.099 257 I HA -0.238 3.931 4.170 -0.002 0.000 0.239 257 I C 3.070 179.069 176.117 -0.197 0.000 1.066 257 I CA 1.959 62.981 61.300 -0.464 0.000 1.324 257 I CB -0.078 37.521 38.000 -0.668 0.000 1.037 257 I HN 0.558 nan 8.210 nan 0.000 0.401 258 A N 0.509 123.197 122.820 -0.221 0.000 1.902 258 A HA -0.129 4.190 4.320 -0.002 0.000 0.217 258 A C 2.512 180.021 177.584 -0.125 0.000 1.181 258 A CA 1.776 53.714 52.037 -0.165 0.000 0.623 258 A CB -0.875 18.022 19.000 -0.172 0.000 0.818 258 A HN 0.451 nan 8.150 nan 0.000 0.443 259 A N -0.188 122.559 122.820 -0.122 0.000 1.933 259 A HA -0.062 4.257 4.320 -0.002 0.000 0.218 259 A C 2.113 179.599 177.584 -0.163 0.000 1.175 259 A CA 1.528 53.491 52.037 -0.123 0.000 0.628 259 A CB -0.527 18.405 19.000 -0.114 0.000 0.814 259 A HN 0.503 nan 8.150 nan 0.000 0.444 260 I N 0.419 120.897 120.570 -0.154 0.000 2.286 260 I HA -0.199 3.969 4.170 -0.002 0.000 0.245 260 I C 2.852 178.856 176.117 -0.188 0.000 1.104 260 I CA 1.407 62.557 61.300 -0.249 0.000 1.397 260 I CB -0.228 37.616 38.000 -0.261 0.000 1.072 260 I HN 0.504 nan 8.210 nan 0.000 0.417 261 S N 0.308 115.960 115.700 -0.081 0.000 2.383 261 S HA -0.266 4.202 4.470 -0.002 0.000 0.227 261 S C 1.937 176.489 174.600 -0.081 0.000 1.026 261 S CA 1.126 59.298 58.200 -0.047 0.000 0.981 261 S CB -0.408 62.787 63.200 -0.009 0.000 0.818 261 S HN 0.346 nan 8.310 nan 0.000 0.472 262 Q N 1.583 121.323 119.800 -0.100 0.000 2.084 262 Q HA 0.099 4.437 4.340 -0.002 0.000 0.202 262 Q C 2.023 177.957 176.000 -0.110 0.000 0.978 262 Q CA 1.590 57.338 55.803 -0.091 0.000 0.844 262 Q CB -0.828 27.858 28.738 -0.085 0.000 0.898 262 Q HN 0.656 nan 8.270 nan 0.000 0.426 263 L N -0.412 120.696 121.223 -0.192 0.000 2.079 263 L HA -0.169 4.170 4.340 -0.002 0.000 0.210 263 L C 2.012 178.734 176.870 -0.247 0.000 1.081 263 L CA 0.982 55.657 54.840 -0.275 0.000 0.752 263 L CB -0.289 41.424 42.059 -0.576 0.000 0.896 263 L HN 0.290 nan 8.230 nan 0.000 0.433 264 L N -0.878 120.210 121.223 -0.224 0.000 2.558 264 L HA 0.006 4.345 4.340 -0.002 0.000 0.225 264 L C 1.161 178.074 176.870 0.071 0.000 1.128 264 L CA -0.190 54.608 54.840 -0.070 0.000 0.868 264 L CB -0.271 41.716 42.059 -0.120 0.000 1.006 264 L HN 0.224 nan 8.230 nan 0.000 0.454 265 E N 0.657 120.856 120.200 -0.002 0.000 2.465 265 E HA 0.084 4.432 4.350 -0.002 0.000 0.260 265 E C 1.165 177.727 176.600 -0.063 0.000 0.980 265 E CA 0.852 57.240 56.400 -0.019 0.000 0.927 265 E CB 0.392 30.070 29.700 -0.036 0.000 0.934 265 E HN 0.307 nan 8.360 nan 0.000 0.459 266 G N 4.113 112.870 108.800 -0.072 0.000 2.241 266 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.244 266 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.244 266 G C -0.048 174.724 174.900 -0.213 0.000 0.998 266 G CA 0.183 45.193 45.100 -0.151 0.000 0.621 266 G HN 0.726 nan 8.290 nan 0.000 0.519 267 H N 1.841 120.917 119.070 0.010 0.000 2.652 267 H HA 0.270 4.825 4.556 -0.002 0.000 0.298 267 H C 1.180 176.517 175.328 0.015 0.000 1.076 267 H CA 0.405 56.467 56.048 0.023 0.000 1.360 267 H CB 1.408 31.190 29.762 0.034 0.000 1.421 267 H HN 0.494 nan 8.280 nan 0.000 0.464 268 D N 2.323 122.792 120.400 0.115 0.000 2.194 268 D HA -0.060 4.579 4.640 -0.002 0.000 0.204 268 D C 0.469 176.811 176.300 0.068 0.000 0.964 268 D CA 0.442 54.482 54.000 0.067 0.000 0.846 268 D CB 0.447 41.273 40.800 0.043 0.000 0.962 268 D HN 0.108 nan 8.370 nan 0.000 0.490 269 V N 1.035 120.999 119.914 0.084 0.000 2.577 269 V HA 0.347 4.466 4.120 -0.002 0.000 0.303 269 V C -0.568 175.561 176.094 0.058 0.000 1.042 269 V CA -0.998 61.337 62.300 0.058 0.000 0.872 269 V CB 2.580 34.428 31.823 0.042 0.000 0.998 269 V HN -0.087 nan 8.190 nan 0.000 0.423 270 V N 5.881 125.819 119.914 0.040 0.000 2.378 270 V HA 0.462 4.581 4.120 -0.002 0.000 0.288 270 V C -0.495 175.611 176.094 0.020 0.000 1.016 270 V CA -0.557 61.757 62.300 0.023 0.000 0.840 270 V CB 1.673 33.512 31.823 0.027 0.000 0.994 270 V HN 0.668 nan 8.190 nan 0.000 0.431 271 L N 7.328 128.559 121.223 0.014 0.000 2.265 271 L HA 0.618 4.956 4.340 -0.002 0.000 0.289 271 L C -0.342 176.538 176.870 0.017 0.000 1.033 271 L CA 0.195 55.040 54.840 0.009 0.000 0.814 271 L CB 1.438 43.501 42.059 0.007 0.000 1.203 271 L HN 0.448 nan 8.230 nan 0.000 0.423 272 V N 6.870 126.791 119.914 0.012 0.000 2.394 272 V HA 0.493 4.611 4.120 -0.002 0.000 0.282 272 V C 0.137 176.235 176.094 0.006 0.000 1.031 272 V CA -0.389 61.927 62.300 0.027 0.000 0.881 272 V CB 1.360 33.188 31.823 0.009 0.000 0.982 272 V HN 0.591 nan 8.190 nan 0.000 0.451 273 I N 3.353 123.935 120.570 0.021 0.000 2.466 273 I HA 0.608 4.777 4.170 -0.002 0.000 0.289 273 I C 0.927 177.061 176.117 0.029 0.000 1.026 273 I CA -0.523 60.787 61.300 0.017 0.000 1.078 273 I CB 1.808 39.821 38.000 0.023 0.000 1.249 273 I HN 0.819 nan 8.210 nan 0.000 0.429 274 G N 4.309 113.121 108.800 0.020 0.000 2.176 274 G HA2 -0.048 3.910 3.960 -0.002 0.000 0.252 274 G HA3 -0.048 3.910 3.960 -0.002 0.000 0.252 274 G C -0.056 174.876 174.900 0.053 0.000 1.024 274 G CA 0.255 45.378 45.100 0.037 0.000 0.755 274 G HN 1.058 nan 8.290 nan 0.000 0.507 275 A N -0.732 122.109 122.820 0.035 0.000 2.498 275 A HA 0.962 5.281 4.320 -0.002 0.000 0.298 275 A C -2.678 174.898 177.584 -0.013 0.000 1.075 275 A CA -1.428 50.630 52.037 0.035 0.000 0.714 275 A CB 1.838 20.879 19.000 0.068 0.000 1.299 275 A HN 0.095 nan 8.150 nan 0.000 0.407 276 P HA 0.350 nan 4.420 nan 0.000 0.272 276 P C -0.754 176.417 177.300 -0.214 0.000 1.230 276 P CA -0.198 62.849 63.100 -0.088 0.000 0.788 276 P CB 0.682 32.348 31.700 -0.057 0.000 0.949 277 V N 2.958 122.635 119.914 -0.394 0.000 2.275 277 V HA 0.353 4.472 4.120 -0.002 0.000 0.272 277 V C -0.486 175.260 176.094 -0.581 0.000 1.028 277 V CA -0.015 61.742 62.300 -0.905 0.000 0.810 277 V CB -0.886 30.425 31.823 -0.853 0.000 1.043 277 V HN 0.365 nan 8.190 nan 0.000 0.453 278 F N 2.265 121.944 119.950 -0.452 0.000 2.579 278 F HA 0.621 5.146 4.527 -0.002 0.000 0.324 278 F C 0.620 176.063 175.800 -0.593 0.000 1.058 278 F CA -1.372 56.242 58.000 -0.643 0.000 0.944 278 F CB 1.645 40.074 39.000 -0.951 0.000 1.245 278 F HN 0.178 nan 8.300 nan 0.000 0.477 279 R N 1.664 122.083 120.500 -0.135 0.000 4.164 279 R HA 0.204 4.542 4.340 -0.002 0.000 0.195 279 R C -1.211 175.083 176.300 -0.010 0.000 1.712 279 R CA -0.129 55.939 56.100 -0.053 0.000 1.457 279 R CB -1.366 28.933 30.300 -0.002 0.000 1.387 279 R HN 0.359 nan 8.270 nan 0.000 0.785 280 Y N -0.250 120.131 120.300 0.135 0.000 2.394 280 Y HA 0.027 4.576 4.550 -0.002 0.000 0.351 280 Y C 1.796 177.790 175.900 0.156 0.000 1.272 280 Y CA 0.791 58.963 58.100 0.120 0.000 1.508 280 Y CB 0.387 38.925 38.460 0.130 0.000 1.369 280 Y HN 0.499 nan 8.280 nan 0.000 0.639 281 H N -1.468 117.720 119.070 0.197 0.000 2.460 281 H HA 0.124 4.678 4.556 -0.002 0.000 0.140 281 H C -0.014 175.350 175.328 0.059 0.000 1.101 281 H CA -0.076 56.027 56.048 0.092 0.000 1.101 281 H CB 0.406 30.195 29.762 0.044 0.000 0.893 281 H HN 0.630 nan 8.280 nan 0.000 0.286 282 Q N 1.335 121.175 119.800 0.066 0.000 2.421 282 Q HA -0.063 4.276 4.340 -0.002 0.000 0.255 282 Q C -0.833 175.235 176.000 0.114 0.000 1.013 282 Q CA -0.275 55.527 55.803 -0.002 0.000 0.895 282 Q CB 0.711 29.396 28.738 -0.088 0.000 1.271 282 Q HN 0.478 nan 8.270 nan 0.000 0.460 283 Y N 1.520 121.841 120.300 0.034 0.000 2.537 283 Y HA 0.119 4.667 4.550 -0.002 0.000 0.339 283 Y C -0.777 175.119 175.900 -0.006 0.000 1.066 283 Y CA 0.223 58.338 58.100 0.025 0.000 1.357 283 Y CB 0.534 39.036 38.460 0.070 0.000 1.175 283 Y HN 0.779 nan 8.280 nan 0.000 0.525 284 D N 8.492 128.607 120.400 -0.474 0.000 3.285 284 D HA 0.207 4.845 4.640 -0.002 0.000 0.273 284 D C -3.047 172.958 176.300 -0.492 0.000 1.295 284 D CA -1.450 52.314 54.000 -0.392 0.000 0.762 284 D CB 0.658 41.331 40.800 -0.211 0.000 1.379 284 D HN 0.262 nan 8.370 nan 0.000 0.612 285 P HA 0.484 nan 4.420 nan 0.000 0.269 285 P C 0.455 177.543 177.300 -0.353 0.000 1.215 285 P CA 0.298 63.079 63.100 -0.532 0.000 0.780 285 P CB 1.710 33.087 31.700 -0.539 0.000 0.898 286 G N 1.275 109.871 108.800 -0.340 0.000 2.399 286 G HA2 0.097 4.056 3.960 -0.002 0.000 0.256 286 G HA3 0.097 4.056 3.960 -0.002 0.000 0.256 286 G C -1.599 173.117 174.900 -0.307 0.000 1.236 286 G CA -0.683 44.260 45.100 -0.262 0.000 0.914 286 G HN 0.464 nan 8.290 nan 0.000 0.482 287 Q N -0.402 119.268 119.800 -0.216 0.000 2.288 287 Q HA 0.429 4.768 4.340 -0.002 0.000 0.254 287 Q C 0.253 176.168 176.000 -0.141 0.000 0.932 287 Q CA -0.527 55.170 55.803 -0.176 0.000 0.902 287 Q CB 1.276 29.969 28.738 -0.076 0.000 1.203 287 Q HN 0.507 nan 8.270 nan 0.000 0.415 288 Y N 1.043 121.335 120.300 -0.013 0.000 2.242 288 Y HA -0.032 4.517 4.550 -0.001 0.000 0.291 288 Y C 0.494 176.434 175.900 0.065 0.000 1.137 288 Y CA 0.876 59.002 58.100 0.043 0.000 1.181 288 Y CB 0.352 38.848 38.460 0.060 0.000 0.989 288 Y HN 0.390 nan 8.280 nan 0.000 0.527 289 L N -0.256 121.078 121.223 0.186 0.000 2.434 289 L HA 0.369 4.708 4.340 -0.002 0.000 0.260 289 L C -0.549 176.352 176.870 0.052 0.000 0.983 289 L CA -1.280 53.624 54.840 0.108 0.000 0.820 289 L CB 2.093 44.213 42.059 0.102 0.000 1.361 289 L HN -0.333 nan 8.230 nan 0.000 0.410 290 K N 1.370 121.785 120.400 0.025 0.000 2.126 290 K HA 0.392 4.711 4.320 -0.002 0.000 0.257 290 K C -2.404 174.204 176.600 0.013 0.000 1.007 290 K CA -1.707 54.584 56.287 0.007 0.000 0.928 290 K CB 0.525 33.020 32.500 -0.008 0.000 1.013 290 K HN 0.202 nan 8.250 nan 0.000 0.473 291 P HA -0.025 nan 4.420 nan 0.000 0.264 291 P C 0.655 177.958 177.300 0.006 0.000 1.183 291 P CA 0.826 63.930 63.100 0.007 0.000 0.763 291 P CB 0.338 32.038 31.700 0.001 0.000 0.807 292 G N 1.365 110.171 108.800 0.010 0.000 2.213 292 G HA2 -0.179 3.779 3.960 -0.002 0.000 0.226 292 G HA3 -0.179 3.779 3.960 -0.002 0.000 0.226 292 G C 0.160 175.072 174.900 0.021 0.000 0.992 292 G CA -0.054 45.052 45.100 0.010 0.000 0.632 292 G HN 0.624 nan 8.290 nan 0.000 0.511 293 T N 1.330 115.901 114.554 0.029 0.000 2.771 293 T HA 0.600 4.949 4.350 -0.002 0.000 0.281 293 T C 0.062 174.785 174.700 0.037 0.000 0.982 293 T CA -0.405 61.721 62.100 0.043 0.000 0.978 293 T CB 1.894 70.793 68.868 0.052 0.000 0.930 293 T HN 0.513 nan 8.240 nan 0.000 0.447 294 R N 3.622 124.143 120.500 0.035 0.000 2.346 294 R HA 0.639 4.978 4.340 -0.002 0.000 0.311 294 R C -1.150 175.164 176.300 0.023 0.000 0.983 294 R CA -0.725 55.389 56.100 0.024 0.000 0.880 294 R CB 0.789 31.100 30.300 0.018 0.000 1.100 294 R HN 0.576 nan 8.270 nan 0.000 0.453 295 L N 5.828 127.056 121.223 0.009 0.000 2.317 295 L HA 0.567 4.906 4.340 -0.002 0.000 0.281 295 L C -1.216 175.639 176.870 -0.026 0.000 1.024 295 L CA -0.646 54.191 54.840 -0.004 0.000 0.810 295 L CB 1.348 43.398 42.059 -0.015 0.000 1.240 295 L HN 0.661 nan 8.230 nan 0.000 0.427 296 I N 3.921 124.476 120.570 -0.025 0.000 2.447 296 I HA 0.327 4.496 4.170 -0.002 0.000 0.287 296 I C -0.518 175.572 176.117 -0.045 0.000 1.023 296 I CA -0.332 60.948 61.300 -0.033 0.000 1.083 296 I CB 2.037 40.027 38.000 -0.017 0.000 1.245 296 I HN 0.532 nan 8.210 nan 0.000 0.434 297 S N 5.736 121.397 115.700 -0.066 0.000 2.454 297 S HA 0.673 5.142 4.470 -0.002 0.000 0.306 297 S C -0.782 173.786 174.600 -0.053 0.000 1.100 297 S CA -0.484 57.671 58.200 -0.076 0.000 1.087 297 S CB 1.362 64.486 63.200 -0.126 0.000 1.019 297 S HN 0.326 nan 8.310 nan 0.000 0.480 298 V N 4.488 124.379 119.914 -0.039 0.000 2.347 298 V HA 0.642 4.761 4.120 -0.002 0.000 0.280 298 V C 0.372 176.447 176.094 -0.032 0.000 1.021 298 V CA -0.474 61.807 62.300 -0.031 0.000 0.847 298 V CB 1.118 32.931 31.823 -0.017 0.000 0.990 298 V HN 0.955 nan 8.190 nan 0.000 0.444 299 T N 3.087 117.618 114.554 -0.039 0.000 2.909 299 T HA 0.249 4.598 4.350 -0.002 0.000 0.299 299 T C 0.825 175.491 174.700 -0.056 0.000 1.073 299 T CA -0.115 61.962 62.100 -0.039 0.000 0.999 299 T CB 1.403 70.245 68.868 -0.043 0.000 1.098 299 T HN 0.865 nan 8.240 nan 0.000 0.477 300 C N 1.619 120.869 119.300 -0.083 0.000 2.626 300 C HA 0.447 4.906 4.460 -0.002 0.000 0.266 300 C C 0.466 175.357 174.990 -0.165 0.000 1.317 300 C CA -0.417 58.522 59.018 -0.131 0.000 1.716 300 C CB -1.412 26.215 27.740 -0.187 0.000 1.819 300 C HN 0.750 nan 8.230 nan 0.000 0.578 301 D N 0.909 121.234 120.400 -0.126 0.000 2.505 301 D HA 0.360 4.998 4.640 -0.002 0.000 0.250 301 D C -1.916 174.360 176.300 -0.040 0.000 1.164 301 D CA -1.926 52.012 54.000 -0.104 0.000 0.870 301 D CB 1.991 42.757 40.800 -0.057 0.000 1.160 301 D HN -0.111 nan 8.370 nan 0.000 0.549 302 P HA -0.107 nan 4.420 nan 0.000 0.216 302 P C 1.693 179.000 177.300 0.011 0.000 1.150 302 P CA 0.888 63.983 63.100 -0.008 0.000 0.843 302 P CB 0.376 32.077 31.700 0.002 0.000 0.787 303 L N -0.803 120.443 121.223 0.039 0.000 2.141 303 L HA -0.169 4.169 4.340 -0.002 0.000 0.209 303 L C 2.354 179.249 176.870 0.041 0.000 1.094 303 L CA 1.457 56.337 54.840 0.066 0.000 0.763 303 L CB -0.774 41.365 42.059 0.134 0.000 0.908 303 L HN 0.058 nan 8.230 nan 0.000 0.437 304 E N 0.204 120.419 120.200 0.025 0.000 2.047 304 E HA -0.195 4.153 4.350 -0.002 0.000 0.191 304 E C 2.353 178.926 176.600 -0.044 0.000 0.987 304 E CA 1.128 57.523 56.400 -0.008 0.000 0.799 304 E CB -0.178 29.519 29.700 -0.006 0.000 0.752 304 E HN 0.481 nan 8.360 nan 0.000 0.449 305 A N 1.493 124.289 122.820 -0.040 0.000 1.940 305 A HA -0.146 4.173 4.320 -0.002 0.000 0.219 305 A C 2.368 179.921 177.584 -0.051 0.000 1.176 305 A CA 1.767 53.771 52.037 -0.055 0.000 0.631 305 A CB -0.612 18.362 19.000 -0.044 0.000 0.814 305 A HN 0.295 nan 8.150 nan 0.000 0.446 306 A N 0.536 123.339 122.820 -0.028 0.000 1.930 306 A HA -0.129 4.190 4.320 -0.002 0.000 0.217 306 A C 2.187 179.753 177.584 -0.030 0.000 1.175 306 A CA 1.560 53.585 52.037 -0.021 0.000 0.627 306 A CB -0.406 18.594 19.000 0.000 0.000 0.815 306 A HN 0.712 nan 8.150 nan 0.000 0.443 307 R N -0.627 119.855 120.500 -0.030 0.000 2.300 307 R HA 0.452 4.791 4.340 -0.002 0.000 0.199 307 R C 0.777 177.030 176.300 -0.079 0.000 0.920 307 R CA 0.563 56.643 56.100 -0.033 0.000 1.046 307 R CB -0.469 29.830 30.300 -0.001 0.000 0.984 307 R HN 0.258 nan 8.270 nan 0.000 0.493 308 A N 2.939 125.688 122.820 -0.119 0.000 2.566 308 A HA 0.152 4.471 4.320 -0.002 0.000 0.245 308 A C -1.664 175.788 177.584 -0.220 0.000 1.056 308 A CA -1.041 50.878 52.037 -0.196 0.000 0.757 308 A CB 0.197 19.067 19.000 -0.218 0.000 0.979 308 A HN 0.230 nan 8.150 nan 0.000 0.508 309 P HA 0.060 nan 4.420 nan 0.000 0.245 309 P C -0.148 176.924 177.300 -0.379 0.000 1.212 309 P CA 0.739 63.572 63.100 -0.445 0.000 0.774 309 P CB 0.013 31.089 31.700 -1.041 0.000 0.999 310 M N -3.114 116.311 119.600 -0.292 0.000 2.603 310 M HA 0.654 5.133 4.480 -0.002 0.000 0.275 310 M C -0.436 175.780 176.300 -0.141 0.000 1.226 310 M CA -0.473 54.726 55.300 -0.168 0.000 0.870 310 M CB 1.127 33.659 32.600 -0.113 0.000 1.716 310 M HN 0.038 nan 8.290 nan 0.000 0.482 311 G N 1.657 110.405 108.800 -0.086 0.000 2.699 311 G HA2 -0.019 3.940 3.960 -0.002 0.000 0.686 311 G HA3 -0.019 3.940 3.960 -0.002 0.000 0.686 311 G C -1.540 173.319 174.900 -0.070 0.000 1.301 311 G CA -0.428 44.627 45.100 -0.074 0.000 0.816 311 G HN 0.977 nan 8.290 nan 0.000 0.595 312 D N 0.125 120.493 120.400 -0.053 0.000 2.329 312 D HA 0.716 5.355 4.640 -0.002 0.000 0.246 312 D C 0.744 177.009 176.300 -0.058 0.000 1.111 312 D CA 1.141 55.113 54.000 -0.047 0.000 0.941 312 D CB 1.564 42.344 40.800 -0.032 0.000 1.169 312 D HN 1.254 nan 8.370 nan 0.000 0.441 313 A N 0.795 123.584 122.820 -0.052 0.000 2.539 313 A HA 0.739 5.058 4.320 -0.002 0.000 0.296 313 A C -1.130 176.429 177.584 -0.041 0.000 1.073 313 A CA -0.618 51.386 52.037 -0.055 0.000 0.700 313 A CB 1.127 20.087 19.000 -0.066 0.000 1.296 313 A HN 0.456 nan 8.150 nan 0.000 0.405 314 I N 1.167 121.714 120.570 -0.039 0.000 2.499 314 I HA 0.387 4.556 4.170 -0.002 0.000 0.288 314 I C -0.891 175.205 176.117 -0.035 0.000 1.048 314 I CA -0.837 60.444 61.300 -0.032 0.000 1.062 314 I CB 2.246 40.230 38.000 -0.026 0.000 1.238 314 I HN 0.306 nan 8.210 nan 0.000 0.426 315 V N 5.829 125.723 119.914 -0.034 0.000 2.348 315 V HA 0.856 4.975 4.120 -0.002 0.000 0.270 315 V C 0.273 176.345 176.094 -0.037 0.000 1.037 315 V CA -0.090 62.187 62.300 -0.038 0.000 0.872 315 V CB 0.612 32.413 31.823 -0.037 0.000 1.002 315 V HN 0.885 nan 8.190 nan 0.000 0.464 316 A N 3.671 126.467 122.820 -0.041 0.000 2.564 316 A HA 0.529 4.848 4.320 -0.002 0.000 0.291 316 A C -0.976 176.583 177.584 -0.042 0.000 1.102 316 A CA -0.681 51.334 52.037 -0.036 0.000 0.660 316 A CB 1.153 20.137 19.000 -0.027 0.000 1.283 316 A HN 0.652 nan 8.150 nan 0.000 0.430 317 D N 0.546 120.925 120.400 -0.035 0.000 2.425 317 D HA 0.140 4.779 4.640 -0.002 0.000 0.247 317 D C 0.630 176.916 176.300 -0.023 0.000 1.147 317 D CA -0.417 53.562 54.000 -0.034 0.000 0.879 317 D CB 0.534 41.319 40.800 -0.025 0.000 1.179 317 D HN 0.293 nan 8.370 nan 0.000 0.456 318 I N 4.110 124.667 120.570 -0.022 0.000 2.315 318 I HA -0.118 4.051 4.170 -0.002 0.000 0.248 318 I C 2.441 178.559 176.117 0.001 0.000 1.117 318 I CA 0.898 62.194 61.300 -0.007 0.000 1.404 318 I CB -1.557 36.444 38.000 0.001 0.000 1.071 318 I HN 0.591 nan 8.210 nan 0.000 0.419 319 G N 0.829 109.630 108.800 0.000 0.000 2.421 319 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.216 319 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.216 319 G C 1.868 176.768 174.900 0.001 0.000 1.171 319 G CA 1.064 46.166 45.100 0.004 0.000 0.775 319 G HN 0.476 nan 8.290 nan 0.000 0.543 320 A N 0.356 123.174 122.820 -0.004 0.000 1.902 320 A HA 0.038 4.357 4.320 -0.002 0.000 0.217 320 A C 2.449 180.031 177.584 -0.003 0.000 1.181 320 A CA 1.964 53.998 52.037 -0.005 0.000 0.623 320 A CB -0.327 18.669 19.000 -0.008 0.000 0.818 320 A HN 0.300 nan 8.150 nan 0.000 0.443 321 M N -0.540 119.058 119.600 -0.004 0.000 2.132 321 M HA -0.066 4.413 4.480 -0.002 0.000 0.263 321 M C 2.527 178.829 176.300 0.003 0.000 1.065 321 M CA 1.554 56.852 55.300 -0.003 0.000 1.122 321 M CB -1.411 31.186 32.600 -0.006 0.000 1.365 321 M HN 0.489 nan 8.290 nan 0.000 0.411 322 A N -0.688 122.137 122.820 0.008 0.000 1.933 322 A HA -0.141 4.178 4.320 -0.002 0.000 0.218 322 A C 2.476 180.067 177.584 0.013 0.000 1.175 322 A CA 2.190 54.236 52.037 0.015 0.000 0.628 322 A CB -0.861 18.152 19.000 0.022 0.000 0.814 322 A HN 0.488 nan 8.150 nan 0.000 0.444 323 S N -0.440 115.265 115.700 0.008 0.000 2.368 323 S HA -0.018 4.451 4.470 -0.002 0.000 0.224 323 S C 2.196 176.799 174.600 0.005 0.000 1.029 323 S CA 1.555 59.758 58.200 0.005 0.000 0.988 323 S CB -0.477 62.724 63.200 0.002 0.000 0.838 323 S HN 0.795 nan 8.310 nan 0.000 0.462 324 A N 1.498 124.320 122.820 0.003 0.000 1.877 324 A HA 0.056 4.375 4.320 -0.002 0.000 0.216 324 A C 2.244 179.831 177.584 0.005 0.000 1.186 324 A CA 1.470 53.509 52.037 0.003 0.000 0.620 324 A CB -0.900 18.100 19.000 0.000 0.000 0.822 324 A HN 0.567 nan 8.150 nan 0.000 0.443 325 L N -0.745 120.482 121.223 0.007 0.000 2.046 325 L HA -0.214 4.125 4.340 -0.002 0.000 0.208 325 L C 3.103 179.981 176.870 0.013 0.000 1.077 325 L CA 1.116 55.962 54.840 0.010 0.000 0.747 325 L CB -0.544 41.522 42.059 0.011 0.000 0.896 325 L HN 0.447 nan 8.230 nan 0.000 0.432 326 A N -0.180 122.649 122.820 0.015 0.000 1.978 326 A HA -0.196 4.123 4.320 -0.002 0.000 0.220 326 A C 1.975 179.567 177.584 0.014 0.000 1.170 326 A CA 1.802 53.850 52.037 0.018 0.000 0.636 326 A CB -0.454 18.557 19.000 0.017 0.000 0.810 326 A HN 0.484 nan 8.150 nan 0.000 0.448 327 N N -0.867 117.839 118.700 0.010 0.000 2.373 327 N HA 0.149 4.888 4.740 -0.002 0.000 0.181 327 N C 1.309 176.823 175.510 0.008 0.000 1.082 327 N CA 0.520 53.575 53.050 0.008 0.000 0.885 327 N CB 0.233 38.723 38.487 0.005 0.000 0.977 327 N HN 0.474 nan 8.380 nan 0.000 0.462 328 L N 0.592 121.820 121.223 0.008 0.000 2.425 328 L HA 0.142 4.481 4.340 -0.002 0.000 0.215 328 L C 0.858 177.734 176.870 0.010 0.000 1.065 328 L CA 0.036 54.880 54.840 0.007 0.000 0.842 328 L CB -0.016 42.046 42.059 0.006 0.000 1.033 328 L HN -0.114 nan 8.230 nan 0.000 0.474 329 V N -1.310 118.611 119.914 0.012 0.000 2.963 329 V HA 0.103 4.221 4.120 -0.002 0.000 0.306 329 V C 0.260 176.363 176.094 0.015 0.000 1.077 329 V CA -0.897 61.412 62.300 0.014 0.000 1.124 329 V CB 0.361 32.195 31.823 0.018 0.000 0.987 329 V HN 0.165 nan 8.190 nan 0.000 0.487 330 E N 1.238 121.447 120.200 0.015 0.000 2.390 330 E HA 0.208 4.557 4.350 -0.002 0.000 0.261 330 E C -0.251 176.360 176.600 0.019 0.000 1.076 330 E CA -0.276 56.133 56.400 0.015 0.000 0.905 330 E CB 0.701 30.409 29.700 0.014 0.000 0.984 330 E HN 0.894 nan 8.360 nan 0.000 0.427 331 E N 1.704 121.915 120.200 0.018 0.000 2.166 331 E HA 0.029 4.378 4.350 -0.002 0.000 0.279 331 E C -0.732 175.880 176.600 0.020 0.000 1.095 331 E CA -0.087 56.325 56.400 0.021 0.000 0.888 331 E CB 0.617 30.328 29.700 0.018 0.000 1.041 331 E HN 0.298 nan 8.360 nan 0.000 0.414 332 S N 3.057 118.771 115.700 0.024 0.000 2.572 332 S HA 0.052 4.520 4.470 -0.002 0.000 0.279 332 S C 0.950 175.562 174.600 0.021 0.000 1.341 332 S CA 0.130 58.344 58.200 0.023 0.000 1.043 332 S CB 0.524 63.740 63.200 0.027 0.000 0.887 332 S HN 0.641 nan 8.310 nan 0.000 0.516 333 S N 4.049 119.760 115.700 0.018 0.000 2.593 333 S HA 0.219 4.687 4.470 -0.002 0.000 0.217 333 S C 0.628 175.237 174.600 0.015 0.000 0.966 333 S CA -0.417 57.792 58.200 0.015 0.000 0.914 333 S CB -0.114 63.093 63.200 0.012 0.000 0.776 333 S HN 0.702 nan 8.310 nan 0.000 0.523 334 R N 1.571 122.083 120.500 0.019 0.000 2.774 334 R HA 0.204 4.543 4.340 -0.002 0.000 0.269 334 R C 0.086 176.398 176.300 0.019 0.000 1.068 334 R CA -0.261 55.851 56.100 0.020 0.000 1.180 334 R CB 0.233 30.548 30.300 0.025 0.000 1.077 334 R HN 0.363 nan 8.270 nan 0.000 0.513 335 Q N 1.506 121.315 119.800 0.016 0.000 2.352 335 Q HA 0.047 4.386 4.340 -0.002 0.000 0.260 335 Q C -0.183 175.828 176.000 0.018 0.000 0.976 335 Q CA -0.302 55.509 55.803 0.014 0.000 0.881 335 Q CB 0.557 29.301 28.738 0.009 0.000 1.235 335 Q HN 0.302 nan 8.270 nan 0.000 0.419 336 L N 4.469 125.702 121.223 0.018 0.000 2.490 336 L HA 0.140 4.479 4.340 -0.002 0.000 0.274 336 L C -2.082 174.797 176.870 0.015 0.000 1.201 336 L CA -0.837 54.018 54.840 0.024 0.000 0.869 336 L CB -0.004 42.067 42.059 0.019 0.000 1.123 336 L HN 0.440 nan 8.230 nan 0.000 0.484 337 P HA 0.057 nan 4.420 nan 0.000 0.267 337 P C -0.963 176.331 177.300 -0.009 0.000 1.201 337 P CA -0.027 63.073 63.100 0.000 0.000 0.775 337 P CB 0.240 31.932 31.700 -0.013 0.000 0.854 338 T N 1.753 116.296 114.554 -0.018 0.000 2.832 338 T HA 0.423 4.772 4.350 -0.002 0.000 0.296 338 T C 0.396 175.082 174.700 -0.025 0.000 0.968 338 T CA -0.294 61.794 62.100 -0.021 0.000 1.107 338 T CB 0.484 69.341 68.868 -0.018 0.000 0.916 338 T HN 0.469 nan 8.240 nan 0.000 0.517 339 A N 2.816 125.623 122.820 -0.021 0.000 2.520 339 A HA 0.544 4.863 4.320 -0.002 0.000 0.235 339 A C 0.907 178.486 177.584 -0.008 0.000 1.065 339 A CA -0.437 51.595 52.037 -0.007 0.000 0.764 339 A CB -0.244 18.751 19.000 -0.009 0.000 1.002 339 A HN 1.098 nan 8.150 nan 0.000 0.502 340 A N 3.608 126.428 122.820 0.001 0.000 2.483 340 A HA 0.501 4.820 4.320 -0.002 0.000 0.238 340 A C -1.329 176.258 177.584 0.005 0.000 1.070 340 A CA -0.691 51.341 52.037 -0.007 0.000 0.770 340 A CB -0.650 18.350 19.000 0.000 0.000 1.008 340 A HN 0.799 nan 8.150 nan 0.000 0.497 341 P HA 0.186 nan 4.420 nan 0.000 0.272 341 P C -0.275 177.031 177.300 0.009 0.000 1.230 341 P CA -0.313 62.788 63.100 0.002 0.000 0.788 341 P CB 0.440 32.139 31.700 -0.001 0.000 0.949 342 E N 2.059 122.264 120.200 0.009 0.000 2.442 342 E HA 0.100 4.449 4.350 -0.002 0.000 0.262 342 E C -1.773 174.834 176.600 0.012 0.000 1.004 342 E CA -1.032 55.375 56.400 0.012 0.000 0.928 342 E CB -0.620 29.086 29.700 0.010 0.000 0.937 342 E HN 0.309 nan 8.360 nan 0.000 0.446 343 P HA 0.146 nan 4.420 nan 0.000 0.272 343 P C -1.194 176.113 177.300 0.012 0.000 1.223 343 P CA -0.354 62.755 63.100 0.014 0.000 0.784 343 P CB 0.848 32.560 31.700 0.020 0.000 0.923 344 A N 2.284 125.109 122.820 0.008 0.000 2.445 344 A HA 0.158 4.477 4.320 -0.002 0.000 0.242 344 A C 0.449 178.035 177.584 0.005 0.000 1.075 344 A CA -0.297 51.742 52.037 0.003 0.000 0.777 344 A CB -0.178 18.820 19.000 -0.003 0.000 1.013 344 A HN 0.565 nan 8.150 nan 0.000 0.493 345 K N 2.499 122.900 120.400 0.002 0.000 2.285 345 K HA 0.412 4.731 4.320 -0.002 0.000 0.286 345 K C -0.790 175.799 176.600 -0.019 0.000 1.072 345 K CA -0.406 55.881 56.287 0.001 0.000 0.913 345 K CB 0.418 32.921 32.500 0.006 0.000 1.067 345 K HN 0.430 nan 8.250 nan 0.000 0.479 346 V N 4.390 124.282 119.914 -0.036 0.000 2.614 346 V HA -0.026 4.093 4.120 -0.002 0.000 0.291 346 V C -0.039 175.990 176.094 -0.107 0.000 1.049 346 V CA -0.421 61.818 62.300 -0.101 0.000 1.038 346 V CB 0.922 32.645 31.823 -0.167 0.000 0.980 346 V HN 0.837 nan 8.190 nan 0.000 0.481 347 D N 3.527 123.857 120.400 -0.116 0.000 2.493 347 D HA 0.239 4.878 4.640 -0.002 0.000 0.240 347 D C 0.021 176.300 176.300 -0.035 0.000 1.142 347 D CA 0.478 54.441 54.000 -0.060 0.000 0.872 347 D CB 0.540 41.318 40.800 -0.037 0.000 1.173 347 D HN 0.568 nan 8.370 nan 0.000 0.467 348 Q N 2.160 121.994 119.800 0.056 0.000 2.275 348 Q HA 0.245 4.583 4.340 -0.002 0.000 0.266 348 Q C -1.269 174.792 176.000 0.101 0.000 1.002 348 Q CA -0.816 55.076 55.803 0.149 0.000 0.761 348 Q CB 1.123 29.938 28.738 0.128 0.000 1.255 348 Q HN 0.381 nan 8.270 nan 0.000 0.446 349 D N 2.109 122.575 120.400 0.111 0.000 2.469 349 D HA 0.337 4.976 4.640 -0.002 0.000 0.278 349 D C 0.085 176.413 176.300 0.047 0.000 1.231 349 D CA -0.101 53.938 54.000 0.066 0.000 1.075 349 D CB 0.355 41.192 40.800 0.062 0.000 1.121 349 D HN 0.458 nan 8.370 nan 0.000 0.571 350 A N -1.129 121.711 122.820 0.032 0.000 2.302 350 A HA 0.481 4.799 4.320 -0.002 0.000 0.219 350 A C 0.990 178.583 177.584 0.014 0.000 1.243 350 A CA 0.411 52.462 52.037 0.023 0.000 0.856 350 A CB -1.011 18.000 19.000 0.019 0.000 0.893 350 A HN 0.552 nan 8.150 nan 0.000 0.491 351 G N -0.567 108.239 108.800 0.010 0.000 2.945 351 G HA2 0.429 4.388 3.960 -0.002 0.000 0.156 351 G HA3 0.429 4.388 3.960 -0.002 0.000 0.156 351 G C 0.050 174.934 174.900 -0.026 0.000 1.375 351 G CA -0.955 44.142 45.100 -0.005 0.000 1.039 351 G HN 0.413 nan 8.290 nan 0.000 0.586 352 R N -0.416 120.054 120.500 -0.051 0.000 2.734 352 R HA 0.170 4.509 4.340 -0.002 0.000 0.266 352 R C -0.417 175.805 176.300 -0.131 0.000 1.044 352 R CA -0.434 55.621 56.100 -0.076 0.000 1.128 352 R CB 0.281 30.533 30.300 -0.080 0.000 1.010 352 R HN 0.089 nan 8.270 nan 0.000 0.461 353 L N 3.804 124.962 121.223 -0.108 0.000 2.305 353 L HA 0.157 4.496 4.340 -0.002 0.000 0.281 353 L C 0.697 177.473 176.870 -0.156 0.000 1.085 353 L CA 0.155 54.937 54.840 -0.096 0.000 0.813 353 L CB 0.569 42.593 42.059 -0.058 0.000 1.157 353 L HN 0.477 nan 8.230 nan 0.000 0.436 354 H N 5.033 124.098 119.070 -0.008 0.000 2.732 354 H HA 0.061 4.615 4.556 -0.002 0.000 0.351 354 H C -1.405 173.904 175.328 -0.032 0.000 1.090 354 H CA -1.285 54.762 56.048 -0.001 0.000 1.431 354 H CB 0.810 30.582 29.762 0.017 0.000 1.447 354 H HN 0.348 nan 8.280 nan 0.000 0.582 355 P HA -0.148 nan 4.420 nan 0.000 0.216 355 P C 1.072 178.370 177.300 -0.003 0.000 1.150 355 P CA 1.223 64.297 63.100 -0.043 0.000 0.837 355 P CB 0.390 32.145 31.700 0.092 0.000 0.786 356 E N -0.930 119.371 120.200 0.169 0.000 2.097 356 E HA -0.153 4.196 4.350 -0.002 0.000 0.196 356 E C 1.968 178.640 176.600 0.121 0.000 1.000 356 E CA 1.850 58.370 56.400 0.199 0.000 0.804 356 E CB -1.369 28.404 29.700 0.122 0.000 0.740 356 E HN 0.253 nan 8.360 nan 0.000 0.454 357 T N 0.226 114.827 114.554 0.078 0.000 2.746 357 T HA -0.143 4.206 4.350 -0.002 0.000 0.267 357 T C 2.025 176.716 174.700 -0.015 0.000 1.039 357 T CA 1.333 63.461 62.100 0.046 0.000 1.142 357 T CB -0.366 68.543 68.868 0.068 0.000 0.866 357 T HN -0.021 nan 8.240 nan 0.000 0.444 358 V N 0.954 120.794 119.914 -0.123 0.000 2.261 358 V HA -0.146 3.973 4.120 -0.002 0.000 0.246 358 V C 2.195 178.165 176.094 -0.207 0.000 1.047 358 V CA 1.709 63.869 62.300 -0.233 0.000 1.015 358 V CB -0.871 30.701 31.823 -0.419 0.000 0.642 358 V HN 0.367 nan 8.190 nan 0.000 0.446 359 F N 0.614 120.569 119.950 0.008 0.000 2.171 359 F HA -0.121 4.405 4.527 -0.002 0.000 0.300 359 F C 2.269 178.053 175.800 -0.027 0.000 1.090 359 F CA 1.408 59.390 58.000 -0.031 0.000 1.293 359 F CB -0.906 38.062 39.000 -0.054 0.000 1.013 359 F HN 0.199 nan 8.300 nan 0.000 0.486 360 D N -0.524 119.966 120.400 0.151 0.000 2.117 360 D HA -0.124 4.514 4.640 -0.002 0.000 0.197 360 D C 2.299 178.639 176.300 0.067 0.000 0.987 360 D CA 1.745 55.800 54.000 0.091 0.000 0.829 360 D CB -0.699 40.142 40.800 0.069 0.000 0.961 360 D HN 0.180 nan 8.370 nan 0.000 0.460 361 T N 0.788 115.373 114.554 0.051 0.000 2.821 361 T HA -0.018 4.331 4.350 -0.002 0.000 0.267 361 T C 2.202 176.938 174.700 0.061 0.000 1.046 361 T CA 0.391 62.516 62.100 0.042 0.000 1.139 361 T CB -0.182 68.698 68.868 0.021 0.000 0.871 361 T HN 0.103 nan 8.240 nan 0.000 0.454 362 L N 1.234 122.506 121.223 0.083 0.000 2.012 362 L HA -0.143 4.196 4.340 -0.002 0.000 0.210 362 L C 2.593 179.560 176.870 0.162 0.000 1.073 362 L CA 1.369 56.295 54.840 0.144 0.000 0.748 362 L CB -0.569 41.621 42.059 0.219 0.000 0.891 362 L HN 0.264 nan 8.230 nan 0.000 0.431 363 N N -0.179 118.594 118.700 0.121 0.000 2.244 363 N HA -0.195 4.544 4.740 -0.002 0.000 0.183 363 N C 1.429 176.986 175.510 0.079 0.000 1.016 363 N CA 1.243 54.352 53.050 0.100 0.000 0.866 363 N CB 0.023 38.539 38.487 0.049 0.000 0.980 363 N HN 0.212 nan 8.380 nan 0.000 0.430 364 D N -0.526 119.913 120.400 0.064 0.000 2.144 364 D HA -0.083 4.555 4.640 -0.002 0.000 0.200 364 D C 1.592 177.919 176.300 0.045 0.000 0.978 364 D CA 1.097 55.125 54.000 0.047 0.000 0.833 364 D CB 0.006 40.829 40.800 0.039 0.000 0.961 364 D HN 0.472 nan 8.370 nan 0.000 0.470 365 M N -0.144 119.489 119.600 0.055 0.000 2.653 365 M HA 0.220 4.699 4.480 -0.002 0.000 0.259 365 M C 0.893 177.218 176.300 0.042 0.000 1.244 365 M CA -0.096 55.229 55.300 0.042 0.000 1.163 365 M CB 0.640 33.263 32.600 0.038 0.000 1.309 365 M HN -0.196 nan 8.290 nan 0.000 0.509 366 A N 2.604 125.464 122.820 0.066 0.000 2.425 366 A HA 0.382 4.701 4.320 -0.002 0.000 0.242 366 A C -2.102 175.496 177.584 0.024 0.000 1.077 366 A CA -1.040 51.024 52.037 0.044 0.000 0.781 366 A CB -0.727 18.327 19.000 0.091 0.000 1.020 366 A HN 0.124 nan 8.150 nan 0.000 0.494 367 P HA 0.099 nan 4.420 nan 0.000 0.270 367 P C 0.059 177.354 177.300 -0.008 0.000 1.223 367 P CA -0.064 63.027 63.100 -0.015 0.000 0.785 367 P CB 0.550 32.229 31.700 -0.035 0.000 0.923 368 E N 0.829 121.027 120.200 -0.003 0.000 2.333 368 E HA -0.157 4.192 4.350 -0.002 0.000 0.198 368 E C 0.850 177.443 176.600 -0.011 0.000 1.007 368 E CA 0.925 57.327 56.400 0.002 0.000 0.845 368 E CB -0.214 29.484 29.700 -0.004 0.000 0.766 368 E HN 0.517 nan 8.360 nan 0.000 0.507 369 N N 0.315 118.997 118.700 -0.030 0.000 2.273 369 N HA 0.119 4.858 4.740 -0.002 0.000 0.231 369 N C -0.180 175.284 175.510 -0.077 0.000 1.134 369 N CA -0.075 52.950 53.050 -0.041 0.000 0.856 369 N CB 0.159 38.625 38.487 -0.036 0.000 1.068 369 N HN -0.065 nan 8.380 nan 0.000 0.510 370 A N 0.745 123.494 122.820 -0.118 0.000 2.492 370 A HA 0.424 4.743 4.320 -0.002 0.000 0.236 370 A C 0.074 177.484 177.584 -0.290 0.000 1.078 370 A CA -0.038 51.844 52.037 -0.258 0.000 0.773 370 A CB 0.048 18.795 19.000 -0.422 0.000 1.023 370 A HN 0.400 nan 8.150 nan 0.000 0.504 371 I N 0.566 120.933 120.570 -0.338 0.000 2.436 371 I HA 0.355 4.524 4.170 -0.002 0.000 0.289 371 I C -1.265 174.666 176.117 -0.310 0.000 1.010 371 I CA -0.281 60.900 61.300 -0.198 0.000 1.098 371 I CB 1.523 39.509 38.000 -0.023 0.000 1.266 371 I HN 0.602 nan 8.210 nan 0.000 0.434 372 Y N 5.940 126.261 120.300 0.035 0.000 2.387 372 Y HA 0.652 5.200 4.550 -0.003 0.000 0.336 372 Y C -0.446 175.450 175.900 -0.007 0.000 1.067 372 Y CA -0.779 57.334 58.100 0.022 0.000 1.114 372 Y CB 1.565 40.050 38.460 0.041 0.000 1.208 372 Y HN 0.304 nan 8.280 nan 0.000 0.458 373 L N 2.645 123.955 121.223 0.144 0.000 2.354 373 L HA 0.468 4.807 4.340 -0.002 0.000 0.269 373 L C -0.666 176.249 176.870 0.075 0.000 1.005 373 L CA -0.690 54.183 54.840 0.055 0.000 0.819 373 L CB 1.684 43.782 42.059 0.066 0.000 1.311 373 L HN 0.566 nan 8.230 nan 0.000 0.423 374 N N 1.340 120.061 118.700 0.034 0.000 2.443 374 N HA 0.306 5.045 4.740 -0.002 0.000 0.269 374 N C -0.863 174.831 175.510 0.306 0.000 0.985 374 N CA -0.224 52.947 53.050 0.201 0.000 0.921 374 N CB 1.328 39.957 38.487 0.236 0.000 1.195 374 N HN 0.683 nan 8.380 nan 0.000 0.492 375 E N 1.913 122.267 120.200 0.256 0.000 4.017 375 E HA 0.141 4.490 4.350 -0.002 0.000 0.205 375 E C -1.316 175.420 176.600 0.228 0.000 1.054 375 E CA -0.117 56.421 56.400 0.229 0.000 1.398 375 E CB 0.190 29.977 29.700 0.146 0.000 1.164 375 E HN 0.351 nan 8.360 nan 0.000 0.445 376 S N 0.288 116.152 115.700 0.273 0.000 2.426 376 S HA 0.109 4.578 4.470 -0.002 0.000 0.236 376 S C 1.147 175.902 174.600 0.259 0.000 1.368 376 S CA -0.271 58.078 58.200 0.247 0.000 1.154 376 S CB 0.425 63.784 63.200 0.264 0.000 1.037 376 S HN 0.392 nan 8.310 nan 0.000 0.481 377 T N 0.698 115.400 114.554 0.247 0.000 2.915 377 T HA -0.100 4.249 4.350 -0.002 0.000 0.269 377 T C 1.805 176.610 174.700 0.175 0.000 1.071 377 T CA 1.262 63.515 62.100 0.255 0.000 1.132 377 T CB -0.424 68.588 68.868 0.240 0.000 0.878 377 T HN 0.663 nan 8.240 nan 0.000 0.479 378 S N 1.519 117.309 115.700 0.149 0.000 2.593 378 S HA 0.039 4.507 4.470 -0.002 0.000 0.217 378 S C 1.661 176.285 174.600 0.040 0.000 0.966 378 S CA 0.414 58.656 58.200 0.069 0.000 0.914 378 S CB -0.645 62.603 63.200 0.080 0.000 0.776 378 S HN 0.710 nan 8.310 nan 0.000 0.523 379 T N -3.200 111.427 114.554 0.121 0.000 3.132 379 T HA 0.233 4.582 4.350 -0.002 0.000 0.274 379 T C 1.202 175.950 174.700 0.080 0.000 1.011 379 T CA 0.157 62.353 62.100 0.159 0.000 0.899 379 T CB -0.145 68.945 68.868 0.371 0.000 1.089 379 T HN 0.162 nan 8.240 nan 0.000 0.543 380 T N 2.329 116.913 114.554 0.049 0.000 2.684 380 T HA -0.027 4.321 4.350 -0.002 0.000 0.267 380 T C 2.410 177.122 174.700 0.020 0.000 1.036 380 T CA 1.624 63.740 62.100 0.025 0.000 1.148 380 T CB -0.695 68.174 68.868 0.001 0.000 0.863 380 T HN 0.630 nan 8.240 nan 0.000 0.436 381 A N 1.476 124.285 122.820 -0.017 0.000 1.908 381 A HA -0.169 4.149 4.320 -0.002 0.000 0.218 381 A C 2.387 179.950 177.584 -0.033 0.000 1.181 381 A CA 1.310 53.332 52.037 -0.025 0.000 0.627 381 A CB -0.543 18.415 19.000 -0.071 0.000 0.818 381 A HN 0.330 nan 8.150 nan 0.000 0.445 382 Q N -1.054 118.706 119.800 -0.066 0.000 2.124 382 Q HA -0.154 4.185 4.340 -0.002 0.000 0.202 382 Q C 2.104 177.915 176.000 -0.315 0.000 0.977 382 Q CA 1.619 57.374 55.803 -0.081 0.000 0.850 382 Q CB -0.537 28.235 28.738 0.057 0.000 0.901 382 Q HN 0.825 nan 8.270 nan 0.000 0.429 383 M N -1.211 117.973 119.600 -0.694 0.000 2.108 383 M HA -0.192 4.287 4.480 -0.002 0.000 0.261 383 M C 1.519 177.471 176.300 -0.579 0.000 1.066 383 M CA 1.616 56.197 55.300 -1.198 0.000 1.107 383 M CB -0.189 31.694 32.600 -1.195 0.000 1.356 383 M HN 0.207 nan 8.290 nan 0.000 0.406 384 W N 0.588 121.648 121.300 -0.401 0.000 2.465 384 W HA -0.145 4.513 4.660 -0.003 0.000 0.268 384 W C 2.268 178.683 176.519 -0.174 0.000 1.242 384 W CA 1.077 58.248 57.345 -0.291 0.000 1.248 384 W CB 0.004 29.313 29.460 -0.250 0.000 1.118 384 W HN 0.362 nan 8.180 nan 0.000 0.587 385 Q N -0.806 119.029 119.800 0.058 0.000 2.331 385 Q HA 0.008 4.346 4.340 -0.002 0.000 0.203 385 Q C 1.822 177.823 176.000 0.002 0.000 0.944 385 Q CA 0.763 56.597 55.803 0.051 0.000 0.892 385 Q CB 0.045 28.797 28.738 0.022 0.000 0.983 385 Q HN 0.284 nan 8.270 nan 0.000 0.482 386 R N -0.525 119.930 120.500 -0.075 0.000 2.365 386 R HA 0.254 4.593 4.340 -0.002 0.000 0.223 386 R C -0.175 176.074 176.300 -0.085 0.000 0.899 386 R CA -0.026 56.046 56.100 -0.046 0.000 1.059 386 R CB 0.761 31.069 30.300 0.013 0.000 1.086 386 R HN 0.060 nan 8.270 nan 0.000 0.522 387 L N 1.391 122.499 121.223 -0.191 0.000 2.287 387 L HA 0.307 4.646 4.340 -0.002 0.000 0.287 387 L C -0.354 176.425 176.870 -0.152 0.000 1.022 387 L CA -0.556 54.140 54.840 -0.240 0.000 0.814 387 L CB 1.634 43.364 42.059 -0.547 0.000 1.217 387 L HN 0.075 nan 8.230 nan 0.000 0.420 388 N N 4.763 123.422 118.700 -0.068 0.000 2.402 388 N HA 0.321 5.060 4.740 -0.002 0.000 0.252 388 N C -0.835 174.660 175.510 -0.025 0.000 1.118 388 N CA -0.390 52.633 53.050 -0.045 0.000 0.945 388 N CB 0.535 39.013 38.487 -0.015 0.000 1.147 388 N HN 0.571 nan 8.380 nan 0.000 0.495 389 M N 3.729 123.288 119.600 -0.068 0.000 2.065 389 M HA 0.235 4.713 4.480 -0.002 0.000 0.332 389 M C 0.710 176.953 176.300 -0.095 0.000 0.988 389 M CA -0.416 54.853 55.300 -0.052 0.000 0.944 389 M CB 1.430 33.976 32.600 -0.090 0.000 1.357 389 M HN 0.468 nan 8.290 nan 0.000 0.388 390 R N 0.225 120.686 120.500 -0.065 0.000 2.161 390 R HA 0.135 4.474 4.340 -0.002 0.000 0.213 390 R C 0.368 176.611 176.300 -0.095 0.000 1.055 390 R CA 0.709 56.758 56.100 -0.086 0.000 0.996 390 R CB 0.257 30.523 30.300 -0.057 0.000 0.901 390 R HN 0.575 nan 8.270 nan 0.000 0.456 391 N N 0.734 119.393 118.700 -0.069 0.000 2.443 391 N HA 0.301 5.040 4.740 -0.002 0.000 0.293 391 N C -2.624 172.854 175.510 -0.054 0.000 1.159 391 N CA -1.695 51.319 53.050 -0.059 0.000 0.904 391 N CB 1.240 39.704 38.487 -0.038 0.000 1.214 391 N HN -0.221 nan 8.380 nan 0.000 0.513 392 P HA 0.124 nan 4.420 nan 0.000 0.273 392 P C 0.469 177.763 177.300 -0.010 0.000 1.250 392 P CA 0.227 63.312 63.100 -0.026 0.000 0.793 392 P CB 0.293 31.984 31.700 -0.015 0.000 1.011 393 G N 0.224 109.020 108.800 -0.007 0.000 2.249 393 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.273 393 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.273 393 G C 0.605 175.509 174.900 0.005 0.000 1.036 393 G CA 0.480 45.596 45.100 0.026 0.000 0.824 393 G HN 0.444 nan 8.290 nan 0.000 0.504 394 S N -1.524 114.141 115.700 -0.058 0.000 2.539 394 S HA 0.403 4.872 4.470 -0.002 0.000 0.221 394 S C -0.078 174.556 174.600 0.056 0.000 0.987 394 S CA 0.226 58.431 58.200 0.009 0.000 0.929 394 S CB 0.519 63.735 63.200 0.028 0.000 0.832 394 S HN 0.784 nan 8.310 nan 0.000 0.492 395 Y N 0.619 120.721 120.300 -0.330 0.000 2.482 395 Y HA 0.545 5.094 4.550 -0.002 0.000 0.334 395 Y C -2.203 173.371 175.900 -0.544 0.000 1.091 395 Y CA -1.240 56.691 58.100 -0.282 0.000 1.027 395 Y CB 1.031 39.286 38.460 -0.342 0.000 1.306 395 Y HN 0.052 nan 8.280 nan 0.000 0.446 396 Y N 6.304 126.359 120.300 -0.409 0.000 2.470 396 Y HA 0.580 5.128 4.550 -0.002 0.000 0.341 396 Y C -1.492 174.264 175.900 -0.239 0.000 1.021 396 Y CA -1.179 56.838 58.100 -0.138 0.000 1.025 396 Y CB 2.163 40.719 38.460 0.161 0.000 1.266 396 Y HN 0.583 nan 8.280 nan 0.000 0.448 397 F N 2.950 122.866 119.950 -0.057 0.000 2.574 397 F HA 0.542 5.068 4.527 -0.003 0.000 0.313 397 F C -0.303 175.407 175.800 -0.150 0.000 1.130 397 F CA -1.773 56.218 58.000 -0.015 0.000 0.936 397 F CB 0.879 39.945 39.000 0.109 0.000 1.219 397 F HN 0.746 nan 8.300 nan 0.000 0.445 398 C N 4.393 123.105 119.300 -0.980 0.000 2.255 398 C HA 0.377 4.835 4.460 -0.002 0.000 0.401 398 C C 1.580 176.116 174.990 -0.756 0.000 1.529 398 C CA 0.042 58.424 59.018 -1.059 0.000 1.418 398 C CB -1.360 25.935 27.740 -0.742 0.000 2.522 398 C HN 1.032 nan 8.230 nan 0.000 0.616 399 A N 3.252 125.758 122.820 -0.524 0.000 2.066 399 A HA 0.305 4.623 4.320 -0.002 0.000 0.218 399 A C 2.206 179.711 177.584 -0.132 0.000 1.157 399 A CA 1.441 53.354 52.037 -0.206 0.000 0.670 399 A CB -0.365 18.524 19.000 -0.184 0.000 0.804 399 A HN 1.612 nan 8.150 nan 0.000 0.453 400 A N -1.979 120.732 122.820 -0.182 0.000 2.387 400 A HA 0.460 4.779 4.320 -0.002 0.000 0.234 400 A C 1.633 179.130 177.584 -0.145 0.000 1.253 400 A CA 0.970 52.939 52.037 -0.112 0.000 0.894 400 A CB -0.736 18.220 19.000 -0.074 0.000 0.963 400 A HN 1.734 nan 8.150 nan 0.000 0.508 401 G N -1.147 107.517 108.800 -0.226 0.000 2.162 401 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.260 401 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.260 401 G C 0.698 175.454 174.900 -0.241 0.000 0.976 401 G CA 0.262 45.230 45.100 -0.220 0.000 0.655 401 G HN 1.473 nan 8.290 nan 0.000 0.533 402 G N 0.287 108.940 108.800 -0.246 0.000 2.351 402 G HA2 0.578 4.537 3.960 -0.002 0.000 0.287 402 G HA3 0.578 4.537 3.960 -0.002 0.000 0.287 402 G C 0.526 175.277 174.900 -0.248 0.000 1.159 402 G CA -0.530 44.443 45.100 -0.212 0.000 0.929 402 G HN 0.624 nan 8.290 nan 0.000 0.435 403 L N 1.814 122.812 121.223 -0.373 0.000 2.467 403 L HA 0.429 4.768 4.340 -0.002 0.000 0.270 403 L C 1.539 178.201 176.870 -0.347 0.000 1.205 403 L CA 0.753 55.312 54.840 -0.468 0.000 0.828 403 L CB 0.798 42.326 42.059 -0.886 0.000 1.101 403 L HN 0.838 nan 8.230 nan 0.000 0.479 404 G N 1.253 109.991 108.800 -0.103 0.000 2.163 404 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.213 404 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.213 404 G C 0.249 175.203 174.900 0.091 0.000 0.991 404 G CA 0.321 45.469 45.100 0.080 0.000 0.653 404 G HN 0.651 nan 8.290 nan 0.000 0.518 405 F N 1.672 121.577 119.950 -0.074 0.000 2.147 405 F HA 0.490 5.016 4.527 -0.002 0.000 0.291 405 F C 2.516 178.297 175.800 -0.033 0.000 1.093 405 F CA 2.046 60.003 58.000 -0.070 0.000 1.263 405 F CB -0.475 38.448 39.000 -0.128 0.000 1.036 405 F HN 0.235 nan 8.300 nan 0.000 0.481 406 A N 0.929 123.696 122.820 -0.089 0.000 1.933 406 A HA -0.137 4.182 4.320 -0.002 0.000 0.218 406 A C 2.302 179.812 177.584 -0.124 0.000 1.175 406 A CA 1.754 53.681 52.037 -0.183 0.000 0.628 406 A CB -1.280 17.764 19.000 0.074 0.000 0.814 406 A HN 0.591 nan 8.150 nan 0.000 0.444 407 L N 0.116 121.343 121.223 0.006 0.000 1.976 407 L HA -0.071 4.268 4.340 -0.002 0.000 0.209 407 L C -0.422 176.497 176.870 0.082 0.000 1.071 407 L CA 1.836 56.755 54.840 0.133 0.000 0.746 407 L CB -0.718 41.389 42.059 0.080 0.000 0.890 407 L HN 0.256 nan 8.230 nan 0.000 0.432 408 P HA -0.138 nan 4.420 nan 0.000 0.217 408 P C 1.274 178.463 177.300 -0.186 0.000 1.151 408 P CA 1.923 64.980 63.100 -0.071 0.000 0.828 408 P CB -0.089 31.564 31.700 -0.078 0.000 0.788 409 A N 0.670 123.233 122.820 -0.427 0.000 1.972 409 A HA -0.044 4.275 4.320 -0.002 0.000 0.219 409 A C 2.466 179.825 177.584 -0.375 0.000 1.169 409 A CA 1.961 53.648 52.037 -0.584 0.000 0.635 409 A CB -1.500 16.671 19.000 -1.382 0.000 0.810 409 A HN 0.229 nan 8.150 nan 0.000 0.446 410 A N -0.103 122.564 122.820 -0.256 0.000 2.019 410 A HA -0.041 4.278 4.320 -0.002 0.000 0.219 410 A C 2.040 179.548 177.584 -0.127 0.000 1.164 410 A CA 1.412 53.343 52.037 -0.177 0.000 0.644 410 A CB -0.546 18.366 19.000 -0.147 0.000 0.805 410 A HN 0.527 nan 8.150 nan 0.000 0.449 411 I N -0.585 119.961 120.570 -0.040 0.000 2.286 411 I HA -0.138 4.031 4.170 -0.002 0.000 0.245 411 I C 2.691 178.805 176.117 -0.006 0.000 1.104 411 I CA 1.066 62.376 61.300 0.017 0.000 1.397 411 I CB -0.608 37.453 38.000 0.102 0.000 1.072 411 I HN 0.369 nan 8.210 nan 0.000 0.417 412 G N 0.596 109.363 108.800 -0.055 0.000 2.402 412 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.216 412 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.216 412 G C 1.723 176.639 174.900 0.026 0.000 1.162 412 G CA 0.729 45.824 45.100 -0.009 0.000 0.777 412 G HN 0.218 nan 8.290 nan 0.000 0.539 413 V N 0.581 120.424 119.914 -0.118 0.000 2.343 413 V HA -0.226 3.893 4.120 -0.002 0.000 0.247 413 V C 2.778 178.839 176.094 -0.054 0.000 1.051 413 V CA 2.270 64.485 62.300 -0.141 0.000 1.036 413 V CB -0.435 31.250 31.823 -0.231 0.000 0.654 413 V HN 0.424 nan 8.190 nan 0.000 0.451 414 Q N -0.180 119.590 119.800 -0.049 0.000 2.124 414 Q HA -0.193 4.146 4.340 -0.002 0.000 0.202 414 Q C 1.952 177.968 176.000 0.026 0.000 0.977 414 Q CA 1.770 57.554 55.803 -0.031 0.000 0.850 414 Q CB -0.518 28.184 28.738 -0.060 0.000 0.901 414 Q HN 0.553 nan 8.270 nan 0.000 0.429 415 L N -0.125 121.148 121.223 0.084 0.000 2.046 415 L HA -0.020 4.319 4.340 -0.002 0.000 0.208 415 L C 2.017 179.031 176.870 0.240 0.000 1.077 415 L CA 2.140 57.075 54.840 0.158 0.000 0.747 415 L CB -0.868 41.302 42.059 0.185 0.000 0.896 415 L HN 0.245 nan 8.230 nan 0.000 0.432 416 A N -1.572 121.378 122.820 0.217 0.000 1.968 416 A HA -0.035 4.284 4.320 -0.002 0.000 0.217 416 A C 1.123 178.693 177.584 -0.023 0.000 1.169 416 A CA 1.068 53.103 52.037 -0.002 0.000 0.638 416 A CB -0.210 18.616 19.000 -0.291 0.000 0.812 416 A HN 0.449 nan 8.150 nan 0.000 0.446 417 E N -0.493 119.703 120.200 -0.007 0.000 3.303 417 E HA 0.165 4.514 4.350 -0.002 0.000 0.215 417 E C -2.201 174.393 176.600 -0.009 0.000 1.181 417 E CA -1.603 54.788 56.400 -0.016 0.000 0.998 417 E CB 0.901 30.587 29.700 -0.023 0.000 1.312 417 E HN 0.377 nan 8.360 nan 0.000 0.412 418 P HA -0.103 nan 4.420 nan 0.000 0.225 418 P C 0.661 177.954 177.300 -0.012 0.000 1.148 418 P CA 0.921 64.022 63.100 0.001 0.000 0.779 418 P CB 0.621 32.329 31.700 0.013 0.000 0.780 419 E N -0.411 119.780 120.200 -0.015 0.000 2.479 419 E HA 0.091 4.440 4.350 -0.002 0.000 0.193 419 E C 0.583 177.164 176.600 -0.031 0.000 1.049 419 E CA 0.155 56.543 56.400 -0.020 0.000 0.870 419 E CB 0.169 29.859 29.700 -0.016 0.000 0.944 419 E HN 0.395 nan 8.360 nan 0.000 0.492 420 R N 1.372 121.849 120.500 -0.038 0.000 2.360 420 R HA 0.229 4.568 4.340 -0.002 0.000 0.318 420 R C -0.242 176.011 176.300 -0.078 0.000 0.950 420 R CA -0.737 55.330 56.100 -0.055 0.000 0.837 420 R CB 1.213 31.484 30.300 -0.048 0.000 1.165 420 R HN -0.143 nan 8.270 nan 0.000 0.458 421 Q N 2.538 122.280 119.800 -0.096 0.000 2.271 421 Q HA 0.086 4.424 4.340 -0.002 0.000 0.273 421 Q C -0.814 175.080 176.000 -0.177 0.000 1.051 421 Q CA 0.204 55.934 55.803 -0.122 0.000 0.901 421 Q CB 0.860 29.529 28.738 -0.115 0.000 1.174 421 Q HN 0.380 nan 8.270 nan 0.000 0.385 422 V N 6.831 126.641 119.914 -0.173 0.000 2.465 422 V HA 0.396 4.515 4.120 -0.002 0.000 0.279 422 V C 0.128 176.077 176.094 -0.242 0.000 1.045 422 V CA -0.417 61.760 62.300 -0.204 0.000 0.938 422 V CB 1.033 32.751 31.823 -0.175 0.000 0.986 422 V HN 0.719 nan 8.190 nan 0.000 0.467 423 I N 4.260 124.685 120.570 -0.242 0.000 2.439 423 I HA 0.600 4.768 4.170 -0.002 0.000 0.283 423 I C 0.164 176.261 176.117 -0.033 0.000 1.023 423 I CA -0.520 60.687 61.300 -0.155 0.000 1.100 423 I CB 1.703 39.638 38.000 -0.109 0.000 1.238 423 I HN 0.637 nan 8.210 nan 0.000 0.445 424 A N 6.680 129.459 122.820 -0.070 0.000 2.260 424 A HA 0.688 5.007 4.320 -0.002 0.000 0.308 424 A C -0.363 177.295 177.584 0.123 0.000 1.254 424 A CA -0.428 51.632 52.037 0.038 0.000 0.874 424 A CB 0.740 19.751 19.000 0.019 0.000 1.153 424 A HN 0.468 nan 8.150 nan 0.000 0.527 425 V N 4.956 124.976 119.914 0.177 0.000 2.318 425 V HA 0.390 4.508 4.120 -0.002 0.000 0.271 425 V C -0.255 175.945 176.094 0.177 0.000 1.030 425 V CA 0.078 62.490 62.300 0.186 0.000 0.844 425 V CB 0.175 32.169 31.823 0.285 0.000 1.015 425 V HN 0.713 nan 8.190 nan 0.000 0.460 426 I N 3.634 124.280 120.570 0.127 0.000 2.499 426 I HA 0.558 4.727 4.170 -0.002 0.000 0.288 426 I C 0.917 177.069 176.117 0.058 0.000 1.048 426 I CA -0.546 60.824 61.300 0.116 0.000 1.062 426 I CB 2.057 40.128 38.000 0.118 0.000 1.238 426 I HN 0.649 nan 8.210 nan 0.000 0.426 427 G N 3.075 111.936 108.800 0.101 0.000 2.594 427 G HA2 0.036 3.995 3.960 -0.002 0.000 0.243 427 G HA3 0.036 3.995 3.960 -0.002 0.000 0.243 427 G C 0.871 175.786 174.900 0.025 0.000 1.229 427 G CA -0.239 44.911 45.100 0.084 0.000 0.843 427 G HN 0.843 nan 8.290 nan 0.000 0.578 428 D N 0.663 121.053 120.400 -0.016 0.000 2.178 428 D HA -0.115 4.524 4.640 -0.002 0.000 0.201 428 D C 2.107 178.563 176.300 0.260 0.000 0.980 428 D CA 1.322 55.303 54.000 -0.032 0.000 0.842 428 D CB -0.710 40.158 40.800 0.113 0.000 0.948 428 D HN 0.464 nan 8.370 nan 0.000 0.472 429 G N 0.593 109.576 108.800 0.305 0.000 2.414 429 G HA2 -0.225 3.733 3.960 -0.002 0.000 0.215 429 G HA3 -0.225 3.733 3.960 -0.002 0.000 0.215 429 G C 1.870 177.108 174.900 0.563 0.000 1.188 429 G CA 1.029 46.433 45.100 0.507 0.000 0.783 429 G HN 0.340 nan 8.290 nan 0.000 0.537 430 S N 1.185 117.160 115.700 0.459 0.000 2.400 430 S HA -0.043 4.425 4.470 -0.002 0.000 0.232 430 S C 2.697 177.544 174.600 0.412 0.000 1.025 430 S CA 1.125 59.582 58.200 0.429 0.000 0.993 430 S CB -0.338 62.991 63.200 0.215 0.000 0.808 430 S HN 0.587 nan 8.310 nan 0.000 0.478 431 A N 2.496 125.486 122.820 0.283 0.000 2.019 431 A HA -0.131 4.188 4.320 -0.002 0.000 0.219 431 A C 1.860 179.613 177.584 0.282 0.000 1.164 431 A CA 1.264 53.438 52.037 0.228 0.000 0.644 431 A CB -0.461 18.611 19.000 0.120 0.000 0.805 431 A HN 0.504 nan 8.150 nan 0.000 0.449 432 N N -1.254 117.626 118.700 0.300 0.000 2.354 432 N HA -0.114 4.625 4.740 -0.002 0.000 0.179 432 N C 1.386 176.955 175.510 0.097 0.000 1.021 432 N CA 1.237 54.383 53.050 0.160 0.000 0.887 432 N CB -0.434 38.083 38.487 0.050 0.000 0.974 432 N HN 0.631 nan 8.380 nan 0.000 0.437 433 Y N 1.462 121.837 120.300 0.124 0.000 2.165 433 Y HA -0.069 4.480 4.550 -0.002 0.000 0.286 433 Y C 1.568 177.508 175.900 0.066 0.000 1.155 433 Y CA 1.022 59.176 58.100 0.090 0.000 1.164 433 Y CB -0.070 38.439 38.460 0.080 0.000 0.978 433 Y HN -0.080 nan 8.280 nan 0.000 0.513 434 S N -0.671 115.153 115.700 0.207 0.000 2.668 434 S HA 0.143 4.611 4.470 -0.002 0.000 0.244 434 S C 1.154 175.788 174.600 0.057 0.000 1.140 434 S CA -0.315 57.949 58.200 0.107 0.000 1.134 434 S CB -0.120 63.132 63.200 0.086 0.000 0.954 434 S HN 0.230 nan 8.310 nan 0.000 0.490 435 I N 2.752 123.370 120.570 0.080 0.000 2.335 435 I HA -0.180 3.989 4.170 -0.002 0.000 0.251 435 I C 2.286 178.387 176.117 -0.027 0.000 1.129 435 I CA 1.658 63.003 61.300 0.075 0.000 1.402 435 I CB -0.205 37.889 38.000 0.156 0.000 1.069 435 I HN 0.461 nan 8.210 nan 0.000 0.424 436 S N 0.437 116.075 115.700 -0.103 0.000 2.507 436 S HA 0.013 4.482 4.470 -0.002 0.000 0.235 436 S C 2.156 176.517 174.600 -0.399 0.000 0.988 436 S CA 0.542 58.450 58.200 -0.487 0.000 0.944 436 S CB -0.827 62.196 63.200 -0.294 0.000 0.762 436 S HN 0.474 nan 8.310 nan 0.000 0.526 437 A N 2.188 124.909 122.820 -0.164 0.000 2.019 437 A HA 0.096 4.415 4.320 -0.002 0.000 0.219 437 A C 2.155 179.700 177.584 -0.066 0.000 1.164 437 A CA 1.206 53.204 52.037 -0.064 0.000 0.644 437 A CB -0.851 18.135 19.000 -0.023 0.000 0.805 437 A HN 0.571 nan 8.150 nan 0.000 0.449 438 L N -2.533 118.586 121.223 -0.174 0.000 2.089 438 L HA -0.265 4.074 4.340 -0.002 0.000 0.213 438 L C 2.453 179.328 176.870 0.009 0.000 1.079 438 L CA 1.870 56.621 54.840 -0.148 0.000 0.758 438 L CB -0.493 41.501 42.059 -0.110 0.000 0.891 438 L HN 0.782 nan 8.230 nan 0.000 0.433 439 W N 0.814 121.962 121.300 -0.253 0.000 2.342 439 W HA -0.227 4.431 4.660 -0.002 0.000 0.297 439 W C 2.520 179.042 176.519 0.006 0.000 1.213 439 W CA 2.128 59.413 57.345 -0.099 0.000 1.251 439 W CB -0.297 29.029 29.460 -0.223 0.000 1.136 439 W HN -0.023 nan 8.180 nan 0.000 0.526 440 T N 0.406 115.073 114.554 0.189 0.000 2.746 440 T HA -0.194 4.155 4.350 -0.002 0.000 0.267 440 T C 1.960 176.714 174.700 0.091 0.000 1.039 440 T CA 1.907 64.105 62.100 0.162 0.000 1.142 440 T CB -0.877 68.150 68.868 0.265 0.000 0.866 440 T HN 0.251 nan 8.240 nan 0.000 0.444 441 A N 1.449 124.325 122.820 0.092 0.000 1.902 441 A HA 0.115 4.434 4.320 -0.002 0.000 0.217 441 A C 2.629 180.221 177.584 0.014 0.000 1.181 441 A CA 1.897 54.003 52.037 0.114 0.000 0.623 441 A CB -1.096 18.049 19.000 0.241 0.000 0.818 441 A HN 0.510 nan 8.150 nan 0.000 0.443 442 A N -1.262 121.510 122.820 -0.079 0.000 1.855 442 A HA -0.170 4.149 4.320 -0.002 0.000 0.215 442 A C 2.148 179.552 177.584 -0.301 0.000 1.191 442 A CA 1.626 53.572 52.037 -0.152 0.000 0.613 442 A CB -0.514 18.391 19.000 -0.158 0.000 0.829 442 A HN 0.476 nan 8.150 nan 0.000 0.442 443 Q N -1.243 118.201 119.800 -0.594 0.000 2.124 443 Q HA -0.153 4.186 4.340 -0.002 0.000 0.202 443 Q C 1.417 177.044 176.000 -0.622 0.000 0.977 443 Q CA 1.569 56.899 55.803 -0.788 0.000 0.850 443 Q CB -0.346 27.537 28.738 -1.425 0.000 0.901 443 Q HN 0.882 nan 8.270 nan 0.000 0.429 444 Y N -0.054 120.111 120.300 -0.225 0.000 2.466 444 Y HA 0.093 4.642 4.550 -0.002 0.000 0.272 444 Y C 0.440 176.292 175.900 -0.080 0.000 1.169 444 Y CA -0.207 57.820 58.100 -0.122 0.000 1.285 444 Y CB -0.014 38.393 38.460 -0.087 0.000 1.078 444 Y HN 0.137 nan 8.280 nan 0.000 0.523 445 N N 1.224 119.924 118.700 0.000 0.000 2.696 445 N HA -0.222 4.517 4.740 -0.002 0.000 0.256 445 N C -1.181 174.353 175.510 0.040 0.000 1.031 445 N CA 0.292 53.346 53.050 0.007 0.000 0.730 445 N CB -1.288 37.193 38.487 -0.010 0.000 0.894 445 N HN 0.373 nan 8.380 nan 0.000 0.544 446 I N 1.350 121.956 120.570 0.060 0.000 2.291 446 I HA 0.242 4.411 4.170 -0.002 0.000 0.290 446 I C -1.518 174.618 176.117 0.032 0.000 1.050 446 I CA -1.861 59.470 61.300 0.052 0.000 1.245 446 I CB 1.347 39.389 38.000 0.070 0.000 1.405 446 I HN 0.087 nan 8.210 nan 0.000 0.478 447 P HA 0.084 nan 4.420 nan 0.000 0.226 447 P C -0.085 177.167 177.300 -0.080 0.000 1.758 447 P CA -0.262 62.828 63.100 -0.017 0.000 0.896 447 P CB -0.460 31.230 31.700 -0.018 0.000 1.784 448 T N 1.435 115.908 114.554 -0.135 0.000 2.932 448 T HA 0.160 4.509 4.350 -0.002 0.000 0.312 448 T C 0.808 175.237 174.700 -0.452 0.000 1.071 448 T CA 0.520 62.402 62.100 -0.362 0.000 1.128 448 T CB 0.528 69.044 68.868 -0.586 0.000 0.984 448 T HN 0.100 nan 8.240 nan 0.000 0.549 449 I N 2.844 123.137 120.570 -0.462 0.000 2.354 449 I HA 0.368 4.536 4.170 -0.002 0.000 0.292 449 I C -0.734 175.118 176.117 -0.441 0.000 0.989 449 I CA -0.610 60.506 61.300 -0.307 0.000 1.188 449 I CB 0.868 38.789 38.000 -0.132 0.000 1.342 449 I HN 0.491 nan 8.210 nan 0.000 0.457 450 F N 5.723 125.685 119.950 0.020 0.000 2.402 450 F HA 0.428 4.954 4.527 -0.002 0.000 0.355 450 F C -0.018 175.790 175.800 0.014 0.000 1.123 450 F CA -0.887 57.126 58.000 0.021 0.000 1.021 450 F CB 1.448 40.465 39.000 0.029 0.000 1.160 450 F HN 0.013 nan 8.300 nan 0.000 0.451 451 V N 5.640 125.642 119.914 0.147 0.000 2.311 451 V HA 0.307 4.425 4.120 -0.002 0.000 0.275 451 V C -0.058 176.055 176.094 0.032 0.000 1.022 451 V CA -0.598 61.746 62.300 0.072 0.000 0.830 451 V CB 0.831 32.682 31.823 0.046 0.000 1.012 451 V HN 0.423 nan 8.190 nan 0.000 0.452 452 I N 6.004 126.555 120.570 -0.032 0.000 2.312 452 I HA 0.330 4.499 4.170 -0.002 0.000 0.291 452 I C 0.264 176.291 176.117 -0.149 0.000 1.031 452 I CA -0.451 60.749 61.300 -0.167 0.000 1.293 452 I CB 1.329 39.071 38.000 -0.430 0.000 1.403 452 I HN 0.448 nan 8.210 nan 0.000 0.484 453 M N 5.722 125.257 119.600 -0.109 0.000 2.319 453 M HA 0.144 4.623 4.480 -0.002 0.000 0.343 453 M C 0.125 176.387 176.300 -0.064 0.000 1.364 453 M CA -0.070 55.188 55.300 -0.070 0.000 1.292 453 M CB -0.672 31.912 32.600 -0.026 0.000 1.432 453 M HN 0.358 nan 8.290 nan 0.000 0.448 454 N N 3.763 122.431 118.700 -0.053 0.000 2.527 454 N HA 0.165 4.903 4.740 -0.002 0.000 0.236 454 N C -0.022 175.511 175.510 0.039 0.000 0.999 454 N CA -0.143 52.908 53.050 0.003 0.000 0.935 454 N CB 0.444 38.966 38.487 0.060 0.000 1.132 454 N HN 0.459 nan 8.380 nan 0.000 0.511 455 N N 2.282 121.014 118.700 0.054 0.000 2.200 455 N HA 0.186 4.925 4.740 -0.002 0.000 0.224 455 N C 0.954 176.501 175.510 0.062 0.000 1.179 455 N CA 0.130 53.213 53.050 0.054 0.000 0.877 455 N CB 0.141 38.662 38.487 0.058 0.000 1.072 455 N HN 0.489 nan 8.380 nan 0.000 0.519 456 G N -1.248 107.595 108.800 0.072 0.000 2.162 456 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.260 456 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.260 456 G C 0.029 174.935 174.900 0.010 0.000 0.976 456 G CA 0.817 45.947 45.100 0.049 0.000 0.655 456 G HN 0.789 nan 8.290 nan 0.000 0.533 457 T N -1.596 112.976 114.554 0.030 0.000 2.843 457 T HA 0.540 4.889 4.350 -0.002 0.000 0.302 457 T C -1.183 173.582 174.700 0.108 0.000 1.232 457 T CA -0.567 61.544 62.100 0.019 0.000 1.009 457 T CB 0.910 69.826 68.868 0.080 0.000 1.254 457 T HN 0.274 nan 8.240 nan 0.000 0.504 458 Y N 2.588 122.975 120.300 0.145 0.000 2.570 458 Y HA 0.318 4.867 4.550 -0.002 0.000 0.336 458 Y C 1.629 177.635 175.900 0.176 0.000 1.284 458 Y CA -0.610 57.590 58.100 0.166 0.000 1.761 458 Y CB -0.173 38.389 38.460 0.170 0.000 1.724 458 Y HN 0.826 nan 8.280 nan 0.000 0.455 459 G N 1.202 110.189 108.800 0.310 0.000 2.422 459 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.218 459 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.218 459 G C 1.793 176.871 174.900 0.297 0.000 1.146 459 G CA 0.840 46.100 45.100 0.265 0.000 0.769 459 G HN 0.623 nan 8.290 nan 0.000 0.547 460 A N 0.454 123.438 122.820 0.272 0.000 1.972 460 A HA 0.120 4.439 4.320 -0.002 0.000 0.219 460 A C 2.395 180.188 177.584 0.347 0.000 1.169 460 A CA 1.130 53.331 52.037 0.273 0.000 0.635 460 A CB -0.294 18.831 19.000 0.209 0.000 0.810 460 A HN 0.371 nan 8.150 nan 0.000 0.446 461 L N -1.496 119.919 121.223 0.320 0.000 2.109 461 L HA -0.093 4.245 4.340 -0.002 0.000 0.207 461 L C 2.798 179.854 176.870 0.311 0.000 1.086 461 L CA 0.954 55.990 54.840 0.328 0.000 0.760 461 L CB -0.471 41.749 42.059 0.267 0.000 0.910 461 L HN 0.334 nan 8.230 nan 0.000 0.437 462 R N -0.559 120.117 120.500 0.294 0.000 2.096 462 R HA -0.222 4.117 4.340 -0.002 0.000 0.235 462 R C 2.189 178.638 176.300 0.248 0.000 1.127 462 R CA 1.752 57.991 56.100 0.233 0.000 0.968 462 R CB -0.374 30.058 30.300 0.219 0.000 0.861 462 R HN 0.531 nan 8.270 nan 0.000 0.440 463 W N 0.583 121.980 121.300 0.162 0.000 2.379 463 W HA -0.233 4.426 4.660 -0.002 0.000 0.307 463 W C 1.732 178.371 176.519 0.199 0.000 1.200 463 W CA 1.000 58.437 57.345 0.154 0.000 1.297 463 W CB -0.471 29.077 29.460 0.147 0.000 1.140 463 W HN 0.015 nan 8.180 nan 0.000 0.507 464 F N 1.926 122.027 119.950 0.252 0.000 2.171 464 F HA -0.103 4.423 4.527 -0.002 0.000 0.300 464 F C 2.431 178.245 175.800 0.023 0.000 1.090 464 F CA 2.209 60.289 58.000 0.132 0.000 1.293 464 F CB -1.099 38.004 39.000 0.171 0.000 1.013 464 F HN -0.094 nan 8.300 nan 0.000 0.486 465 A N 0.180 122.980 122.820 -0.032 0.000 1.940 465 A HA -0.085 4.234 4.320 -0.002 0.000 0.219 465 A C 2.555 180.020 177.584 -0.197 0.000 1.176 465 A CA 1.729 53.664 52.037 -0.170 0.000 0.631 465 A CB -1.752 17.225 19.000 -0.040 0.000 0.814 465 A HN 0.485 nan 8.150 nan 0.000 0.446 466 G N -0.705 107.980 108.800 -0.192 0.000 2.408 466 G HA2 -0.083 3.876 3.960 -0.002 0.000 0.217 466 G HA3 -0.083 3.876 3.960 -0.002 0.000 0.217 466 G C 1.483 176.212 174.900 -0.286 0.000 1.150 466 G CA 1.158 46.101 45.100 -0.263 0.000 0.776 466 G HN 0.323 nan 8.290 nan 0.000 0.542 467 V N 0.929 120.665 119.914 -0.297 0.000 2.407 467 V HA -0.077 4.042 4.120 -0.002 0.000 0.248 467 V C 2.768 178.761 176.094 -0.169 0.000 1.055 467 V CA 1.232 63.425 62.300 -0.178 0.000 1.049 467 V CB -0.319 31.520 31.823 0.027 0.000 0.662 467 V HN 0.336 nan 8.190 nan 0.000 0.455 468 L N -0.531 120.513 121.223 -0.297 0.000 2.465 468 L HA 0.005 4.344 4.340 -0.002 0.000 0.224 468 L C 1.055 177.814 176.870 -0.186 0.000 1.145 468 L CA 0.575 55.243 54.840 -0.288 0.000 0.834 468 L CB -0.609 41.166 42.059 -0.473 0.000 0.944 468 L HN 0.446 nan 8.230 nan 0.000 0.451 469 E N -0.661 119.437 120.200 -0.169 0.000 2.440 469 E HA -0.223 4.126 4.350 -0.002 0.000 0.246 469 E C 0.242 176.774 176.600 -0.113 0.000 1.165 469 E CA 0.203 56.528 56.400 -0.125 0.000 0.726 469 E CB -1.154 28.490 29.700 -0.094 0.000 1.271 469 E HN 0.497 nan 8.360 nan 0.000 0.397 470 A N 1.508 124.247 122.820 -0.136 0.000 2.302 470 A HA 0.351 4.669 4.320 -0.002 0.000 0.295 470 A C 0.286 177.826 177.584 -0.073 0.000 1.235 470 A CA -0.180 51.791 52.037 -0.110 0.000 0.876 470 A CB 0.476 19.389 19.000 -0.144 0.000 1.133 470 A HN 0.234 nan 8.150 nan 0.000 0.533 471 E N 1.686 121.854 120.200 -0.052 0.000 2.232 471 E HA 0.300 4.648 4.350 -0.002 0.000 0.265 471 E C -0.317 176.271 176.600 -0.020 0.000 1.001 471 E CA -0.973 55.407 56.400 -0.033 0.000 0.870 471 E CB 0.599 30.282 29.700 -0.029 0.000 1.175 471 E HN 0.685 nan 8.360 nan 0.000 0.407 472 N N -0.166 118.529 118.700 -0.008 0.000 2.740 472 N HA -0.151 4.587 4.740 -0.002 0.000 0.248 472 N C -1.138 174.377 175.510 0.008 0.000 1.062 472 N CA 0.397 53.448 53.050 0.001 0.000 0.704 472 N CB -1.264 37.222 38.487 -0.002 0.000 0.968 472 N HN 0.121 nan 8.380 nan 0.000 0.547 473 V N 1.947 121.869 119.914 0.014 0.000 2.408 473 V HA 0.290 4.409 4.120 -0.002 0.000 0.267 473 V C -0.882 175.241 176.094 0.048 0.000 1.047 473 V CA -0.906 61.411 62.300 0.029 0.000 0.937 473 V CB 1.126 32.969 31.823 0.033 0.000 0.999 473 V HN 0.136 nan 8.190 nan 0.000 0.472 474 P HA 0.395 nan 4.420 nan 0.000 0.278 474 P C 0.649 178.004 177.300 0.092 0.000 1.266 474 P CA 0.275 63.411 63.100 0.060 0.000 0.807 474 P CB 1.070 32.800 31.700 0.050 0.000 1.094 475 G N -0.047 108.811 108.800 0.096 0.000 2.147 475 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.244 475 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.244 475 G C 0.504 175.534 174.900 0.216 0.000 1.005 475 G CA 0.307 45.490 45.100 0.139 0.000 0.713 475 G HN 0.478 nan 8.290 nan 0.000 0.515 476 L N -0.582 120.744 121.223 0.172 0.000 2.567 476 L HA 0.285 4.623 4.340 -0.002 0.000 0.225 476 L C 0.214 177.127 176.870 0.070 0.000 1.119 476 L CA 0.122 55.105 54.840 0.237 0.000 0.871 476 L CB 0.051 42.230 42.059 0.201 0.000 1.036 476 L HN 0.099 nan 8.230 nan 0.000 0.459 477 D N 0.375 120.758 120.400 -0.028 0.000 2.350 477 D HA 0.330 4.968 4.640 -0.002 0.000 0.245 477 D C 0.019 176.204 176.300 -0.192 0.000 1.036 477 D CA -0.097 53.844 54.000 -0.099 0.000 0.848 477 D CB 3.069 43.853 40.800 -0.026 0.000 1.307 477 D HN -0.197 nan 8.370 nan 0.000 0.469 478 V N -0.752 119.029 119.914 -0.221 0.000 2.572 478 V HA 0.354 4.472 4.120 -0.002 0.000 0.274 478 V C -2.504 173.542 176.094 -0.079 0.000 1.075 478 V CA -1.386 60.797 62.300 -0.195 0.000 1.237 478 V CB 0.361 31.991 31.823 -0.320 0.000 1.517 478 V HN 0.301 nan 8.190 nan 0.000 0.616 479 P HA 0.399 nan 4.420 nan 0.000 0.272 479 P C 0.842 178.118 177.300 -0.040 0.000 1.240 479 P CA 1.238 64.322 63.100 -0.026 0.000 0.791 479 P CB 1.281 32.969 31.700 -0.021 0.000 0.978 480 G N 0.580 109.358 108.800 -0.037 0.000 2.165 480 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.226 480 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.226 480 G C -0.199 174.633 174.900 -0.113 0.000 1.035 480 G CA -0.265 44.799 45.100 -0.061 0.000 0.744 480 G HN 0.488 nan 8.290 nan 0.000 0.501 481 I N 0.633 121.107 120.570 -0.160 0.000 2.362 481 I HA 0.328 4.497 4.170 -0.002 0.000 0.289 481 I C -0.681 175.168 176.117 -0.445 0.000 0.994 481 I CA -0.843 60.231 61.300 -0.376 0.000 1.158 481 I CB 1.796 39.460 38.000 -0.560 0.000 1.315 481 I HN 0.034 nan 8.210 nan 0.000 0.451 482 D N 6.221 126.388 120.400 -0.390 0.000 2.467 482 D HA 0.221 4.859 4.640 -0.002 0.000 0.220 482 D C 0.460 176.589 176.300 -0.285 0.000 1.103 482 D CA -0.300 53.561 54.000 -0.231 0.000 0.886 482 D CB 0.606 41.335 40.800 -0.119 0.000 1.025 482 D HN 0.294 nan 8.370 nan 0.000 0.514 483 F N 2.036 121.994 119.950 0.013 0.000 2.325 483 F HA 0.078 4.604 4.527 -0.002 0.000 0.299 483 F C 2.379 178.190 175.800 0.019 0.000 1.090 483 F CA 0.403 58.415 58.000 0.020 0.000 1.392 483 F CB 0.025 39.044 39.000 0.032 0.000 1.053 483 F HN 0.251 nan 8.300 nan 0.000 0.521 484 R N 0.140 120.729 120.500 0.149 0.000 2.075 484 R HA -0.084 4.255 4.340 -0.002 0.000 0.232 484 R C 2.460 178.786 176.300 0.043 0.000 1.126 484 R CA 1.151 57.307 56.100 0.093 0.000 0.963 484 R CB -0.725 29.618 30.300 0.071 0.000 0.858 484 R HN 0.277 nan 8.270 nan 0.000 0.435 485 A N 1.325 124.145 122.820 0.001 0.000 1.898 485 A HA -0.108 4.211 4.320 -0.002 0.000 0.216 485 A C 2.183 179.736 177.584 -0.052 0.000 1.181 485 A CA 1.058 53.073 52.037 -0.035 0.000 0.620 485 A CB -0.483 18.480 19.000 -0.063 0.000 0.819 485 A HN 0.155 nan 8.150 nan 0.000 0.442 486 L N -0.758 120.436 121.223 -0.049 0.000 2.046 486 L HA -0.213 4.126 4.340 -0.002 0.000 0.208 486 L C 3.131 180.020 176.870 0.032 0.000 1.077 486 L CA 1.109 55.929 54.840 -0.033 0.000 0.747 486 L CB -0.681 41.386 42.059 0.014 0.000 0.896 486 L HN 0.441 nan 8.230 nan 0.000 0.432 487 A N 0.315 123.183 122.820 0.080 0.000 1.883 487 A HA -0.289 4.030 4.320 -0.002 0.000 0.217 487 A C 2.413 180.041 177.584 0.073 0.000 1.186 487 A CA 2.211 54.307 52.037 0.097 0.000 0.624 487 A CB -0.555 18.504 19.000 0.098 0.000 0.822 487 A HN 0.357 nan 8.150 nan 0.000 0.444 488 K N -0.642 119.778 120.400 0.033 0.000 2.103 488 K HA -0.127 4.192 4.320 -0.002 0.000 0.207 488 K C 2.013 178.604 176.600 -0.015 0.000 1.048 488 K CA 1.453 57.750 56.287 0.015 0.000 0.930 488 K CB -0.597 31.902 32.500 -0.001 0.000 0.716 488 K HN 0.396 nan 8.250 nan 0.000 0.444 489 G N -0.184 108.560 108.800 -0.093 0.000 2.469 489 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.220 489 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.220 489 G C 0.716 175.464 174.900 -0.253 0.000 1.136 489 G CA 0.902 45.856 45.100 -0.243 0.000 0.759 489 G HN 0.362 nan 8.290 nan 0.000 0.562 490 Y N 0.100 120.460 120.300 0.099 0.000 2.555 490 Y HA 0.412 4.961 4.550 -0.002 0.000 0.259 490 Y C 1.796 177.780 175.900 0.139 0.000 1.179 490 Y CA -0.788 57.426 58.100 0.190 0.000 1.230 490 Y CB 0.306 38.878 38.460 0.187 0.000 1.146 490 Y HN 0.286 nan 8.280 nan 0.000 0.526 491 G N 0.233 109.143 108.800 0.184 0.000 2.137 491 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.237 491 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.237 491 G C -0.381 174.562 174.900 0.071 0.000 1.002 491 G CA 0.174 45.333 45.100 0.099 0.000 0.702 491 G HN 0.113 nan 8.290 nan 0.000 0.515 492 V N 1.011 120.983 119.914 0.096 0.000 2.427 492 V HA 0.436 4.555 4.120 -0.002 0.000 0.286 492 V C 0.920 177.065 176.094 0.085 0.000 1.034 492 V CA -0.494 61.862 62.300 0.094 0.000 0.893 492 V CB 1.800 33.689 31.823 0.111 0.000 0.982 492 V HN 0.545 nan 8.190 nan 0.000 0.452 493 Q N 2.939 122.785 119.800 0.078 0.000 2.315 493 Q HA 0.394 4.733 4.340 -0.002 0.000 0.289 493 Q C -0.240 175.810 176.000 0.083 0.000 1.044 493 Q CA 0.082 55.926 55.803 0.067 0.000 0.920 493 Q CB 0.754 29.526 28.738 0.058 0.000 1.214 493 Q HN 0.928 nan 8.270 nan 0.000 0.392 494 A N 5.188 128.051 122.820 0.071 0.000 2.371 494 A HA 0.737 5.056 4.320 -0.002 0.000 0.311 494 A C -1.344 176.279 177.584 0.065 0.000 1.068 494 A CA -0.712 51.372 52.037 0.079 0.000 0.744 494 A CB 1.018 20.063 19.000 0.075 0.000 1.239 494 A HN 0.747 nan 8.150 nan 0.000 0.435 495 L N 1.393 122.658 121.223 0.070 0.000 2.350 495 L HA 0.651 4.989 4.340 -0.002 0.000 0.260 495 L C -0.130 176.775 176.870 0.058 0.000 1.015 495 L CA -0.928 53.945 54.840 0.055 0.000 0.821 495 L CB 2.614 44.702 42.059 0.049 0.000 1.370 495 L HN 0.902 nan 8.230 nan 0.000 0.416 496 K N 0.800 121.228 120.400 0.047 0.000 2.267 496 K HA 0.935 5.254 4.320 -0.002 0.000 0.246 496 K C -1.251 175.368 176.600 0.032 0.000 0.954 496 K CA -0.783 55.531 56.287 0.045 0.000 0.824 496 K CB 2.513 35.039 32.500 0.042 0.000 1.167 496 K HN 0.576 nan 8.250 nan 0.000 0.431 497 A N 2.388 125.224 122.820 0.026 0.000 2.569 497 A HA 0.288 4.607 4.320 -0.002 0.000 0.282 497 A C -0.968 176.622 177.584 0.010 0.000 1.165 497 A CA -0.742 51.304 52.037 0.015 0.000 0.747 497 A CB 0.753 19.757 19.000 0.008 0.000 1.215 497 A HN 0.816 nan 8.150 nan 0.000 0.431 498 D N 0.952 121.358 120.400 0.011 0.000 2.360 498 D HA 0.088 4.727 4.640 -0.002 0.000 0.210 498 D C 0.210 176.510 176.300 -0.000 0.000 1.047 498 D CA 1.056 55.060 54.000 0.007 0.000 0.854 498 D CB 0.413 41.220 40.800 0.011 0.000 0.936 498 D HN 0.789 nan 8.370 nan 0.000 0.514 499 N N -1.332 117.368 118.700 0.001 0.000 3.020 499 N HA 0.069 4.808 4.740 -0.002 0.000 0.248 499 N C 0.177 175.689 175.510 0.005 0.000 1.480 499 N CA -0.731 52.320 53.050 0.002 0.000 0.874 499 N CB 0.971 39.462 38.487 0.007 0.000 1.433 499 N HN -0.223 nan 8.380 nan 0.000 0.530 500 L N 0.326 121.554 121.223 0.010 0.000 2.046 500 L HA -0.034 4.305 4.340 -0.002 0.000 0.208 500 L C 2.000 178.878 176.870 0.012 0.000 1.077 500 L CA 2.137 56.985 54.840 0.012 0.000 0.747 500 L CB -1.052 41.019 42.059 0.021 0.000 0.896 500 L HN 0.846 nan 8.230 nan 0.000 0.432 501 E N -1.315 118.893 120.200 0.013 0.000 2.085 501 E HA -0.300 4.048 4.350 -0.002 0.000 0.194 501 E C 2.029 178.636 176.600 0.012 0.000 0.994 501 E CA 1.586 57.994 56.400 0.013 0.000 0.801 501 E CB -0.676 29.032 29.700 0.013 0.000 0.743 501 E HN 0.659 nan 8.360 nan 0.000 0.453 502 Q N 0.187 119.994 119.800 0.012 0.000 2.167 502 Q HA -0.093 4.246 4.340 -0.002 0.000 0.202 502 Q C 2.268 178.276 176.000 0.012 0.000 0.970 502 Q CA 1.005 56.815 55.803 0.013 0.000 0.855 502 Q CB -0.117 28.629 28.738 0.013 0.000 0.911 502 Q HN 0.264 nan 8.270 nan 0.000 0.438 503 L N 1.340 122.568 121.223 0.008 0.000 2.017 503 L HA -0.208 4.131 4.340 -0.002 0.000 0.208 503 L C 1.841 178.718 176.870 0.010 0.000 1.073 503 L CA 1.896 56.739 54.840 0.006 0.000 0.745 503 L CB -0.213 41.844 42.059 -0.003 0.000 0.894 503 L HN -0.023 nan 8.230 nan 0.000 0.432 504 K N -0.683 119.725 120.400 0.012 0.000 2.057 504 K HA -0.097 4.222 4.320 -0.002 0.000 0.207 504 K C 2.020 178.629 176.600 0.015 0.000 1.049 504 K CA 1.258 57.554 56.287 0.015 0.000 0.931 504 K CB -0.776 31.733 32.500 0.015 0.000 0.714 504 K HN 0.556 nan 8.250 nan 0.000 0.440 505 G N 0.637 109.445 108.800 0.014 0.000 2.418 505 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.217 505 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.217 505 G C 1.553 176.463 174.900 0.016 0.000 1.158 505 G CA 0.926 46.035 45.100 0.015 0.000 0.771 505 G HN 0.184 nan 8.290 nan 0.000 0.545 506 S N 0.351 116.062 115.700 0.018 0.000 2.368 506 S HA 0.008 4.477 4.470 -0.002 0.000 0.225 506 S C 2.300 176.913 174.600 0.021 0.000 1.030 506 S CA 0.755 58.968 58.200 0.022 0.000 0.999 506 S CB -0.236 62.978 63.200 0.024 0.000 0.844 506 S HN 0.295 nan 8.310 nan 0.000 0.459 507 L N 1.346 122.581 121.223 0.019 0.000 2.093 507 L HA -0.150 4.189 4.340 -0.002 0.000 0.208 507 L C 2.816 179.695 176.870 0.015 0.000 1.085 507 L CA 1.227 56.078 54.840 0.019 0.000 0.755 507 L CB -0.471 41.601 42.059 0.022 0.000 0.904 507 L HN 0.410 nan 8.230 nan 0.000 0.435 508 Q N 0.420 120.229 119.800 0.015 0.000 2.050 508 Q HA -0.302 4.037 4.340 -0.002 0.000 0.202 508 Q C 2.066 178.072 176.000 0.010 0.000 0.980 508 Q CA 2.171 57.981 55.803 0.012 0.000 0.840 508 Q CB 0.026 28.771 28.738 0.012 0.000 0.898 508 Q HN 0.436 nan 8.270 nan 0.000 0.424 509 E N 0.184 120.392 120.200 0.013 0.000 2.077 509 E HA -0.173 4.175 4.350 -0.002 0.000 0.193 509 E C 1.744 178.353 176.600 0.014 0.000 0.989 509 E CA 1.617 58.026 56.400 0.014 0.000 0.800 509 E CB -0.381 29.329 29.700 0.018 0.000 0.746 509 E HN 0.456 nan 8.360 nan 0.000 0.452 510 A N 0.599 123.428 122.820 0.016 0.000 1.902 510 A HA -0.127 4.192 4.320 -0.002 0.000 0.217 510 A C 2.305 179.888 177.584 -0.001 0.000 1.181 510 A CA 1.472 53.517 52.037 0.013 0.000 0.623 510 A CB -0.771 18.239 19.000 0.017 0.000 0.818 510 A HN 0.367 nan 8.150 nan 0.000 0.443 511 L N 0.419 121.640 121.223 -0.003 0.000 2.141 511 L HA -0.146 4.192 4.340 -0.002 0.000 0.209 511 L C 2.690 179.554 176.870 -0.010 0.000 1.094 511 L CA 1.494 56.326 54.840 -0.012 0.000 0.763 511 L CB -0.279 41.775 42.059 -0.008 0.000 0.908 511 L HN 0.596 nan 8.230 nan 0.000 0.437 512 S N -0.877 114.821 115.700 -0.003 0.000 2.528 512 S HA 0.237 4.705 4.470 -0.002 0.000 0.219 512 S C 1.027 175.626 174.600 -0.001 0.000 0.985 512 S CA -0.022 58.176 58.200 -0.003 0.000 0.914 512 S CB -0.155 63.045 63.200 0.001 0.000 0.776 512 S HN 0.210 nan 8.310 nan 0.000 0.526 513 A N 1.946 124.766 122.820 0.001 0.000 2.425 513 A HA 0.458 4.777 4.320 -0.002 0.000 0.242 513 A C 1.082 178.667 177.584 0.001 0.000 1.077 513 A CA -0.437 51.603 52.037 0.005 0.000 0.781 513 A CB 0.359 19.366 19.000 0.013 0.000 1.020 513 A HN 0.191 nan 8.150 nan 0.000 0.494 514 K N 1.049 121.451 120.400 0.003 0.000 2.367 514 K HA 0.130 4.449 4.320 -0.002 0.000 0.194 514 K C 0.862 177.464 176.600 0.004 0.000 1.027 514 K CA 0.854 57.141 56.287 0.001 0.000 1.075 514 K CB 0.441 32.941 32.500 -0.000 0.000 0.845 514 K HN 0.762 nan 8.250 nan 0.000 0.529 515 G N 2.120 110.926 108.800 0.011 0.000 2.735 515 G HA2 0.428 4.387 3.960 -0.002 0.000 0.301 515 G HA3 0.428 4.387 3.960 -0.002 0.000 0.301 515 G C -2.884 172.038 174.900 0.035 0.000 1.279 515 G CA -1.357 43.754 45.100 0.020 0.000 1.019 515 G HN -0.205 nan 8.290 nan 0.000 0.497 516 P HA 0.341 nan 4.420 nan 0.000 0.272 516 P C -0.781 176.603 177.300 0.141 0.000 1.223 516 P CA -0.162 63.010 63.100 0.120 0.000 0.784 516 P CB 1.614 33.453 31.700 0.232 0.000 0.923 517 V N 3.241 123.255 119.914 0.166 0.000 2.760 517 V HA 0.373 4.492 4.120 -0.002 0.000 0.309 517 V C -0.022 176.233 176.094 0.267 0.000 1.077 517 V CA -0.783 61.614 62.300 0.162 0.000 0.910 517 V CB 2.098 33.972 31.823 0.085 0.000 1.008 517 V HN 0.458 nan 8.190 nan 0.000 0.424 518 L N 5.582 126.947 121.223 0.236 0.000 2.313 518 L HA 0.703 5.042 4.340 -0.002 0.000 0.283 518 L C -1.035 175.923 176.870 0.146 0.000 1.013 518 L CA -0.300 54.683 54.840 0.238 0.000 0.816 518 L CB 1.217 43.386 42.059 0.184 0.000 1.236 518 L HN 0.599 nan 8.230 nan 0.000 0.419 519 I N 4.616 125.260 120.570 0.123 0.000 2.362 519 I HA 0.309 4.478 4.170 -0.002 0.000 0.289 519 I C -0.268 175.883 176.117 0.056 0.000 0.994 519 I CA -0.440 60.907 61.300 0.078 0.000 1.158 519 I CB 1.772 39.804 38.000 0.054 0.000 1.315 519 I HN 0.619 nan 8.210 nan 0.000 0.451 520 E N 6.601 126.839 120.200 0.063 0.000 2.089 520 E HA 0.363 4.712 4.350 -0.002 0.000 0.284 520 E C -1.325 175.292 176.600 0.028 0.000 1.023 520 E CA -0.505 55.925 56.400 0.051 0.000 0.819 520 E CB 1.129 30.912 29.700 0.137 0.000 1.076 520 E HN 0.373 nan 8.360 nan 0.000 0.396 521 V N 3.935 123.844 119.914 -0.008 0.000 2.394 521 V HA 0.164 4.283 4.120 -0.002 0.000 0.282 521 V C 0.003 176.090 176.094 -0.013 0.000 1.031 521 V CA -0.759 61.532 62.300 -0.015 0.000 0.881 521 V CB 1.693 33.490 31.823 -0.044 0.000 0.982 521 V HN 0.633 nan 8.190 nan 0.000 0.451 522 S N 3.857 119.555 115.700 -0.003 0.000 2.416 522 S HA 0.343 4.812 4.470 -0.002 0.000 0.302 522 S C 0.529 175.113 174.600 -0.027 0.000 1.120 522 S CA -0.470 57.729 58.200 -0.001 0.000 1.067 522 S CB 0.193 63.397 63.200 0.005 0.000 1.057 522 S HN 0.975 nan 8.310 nan 0.000 0.518 523 T N -0.605 113.932 114.554 -0.028 0.000 2.944 523 T HA 0.616 4.965 4.350 -0.002 0.000 0.284 523 T C 0.438 175.108 174.700 -0.050 0.000 1.010 523 T CA -1.058 61.012 62.100 -0.050 0.000 1.025 523 T CB 0.842 69.686 68.868 -0.041 0.000 1.079 523 T HN 0.388 nan 8.240 nan 0.000 0.516 524 V N 0.454 120.310 119.914 -0.096 0.000 2.763 524 V HA 0.403 4.521 4.120 -0.002 0.000 0.306 524 V C 0.756 176.845 176.094 -0.009 0.000 1.059 524 V CA -0.556 61.686 62.300 -0.097 0.000 1.138 524 V CB 0.281 31.983 31.823 -0.201 0.000 0.940 524 V HN 1.102 nan 8.190 nan 0.000 0.489 525 S N 0.000 115.707 115.700 0.011 0.000 2.498 525 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 525 S CA 0.000 58.229 58.200 0.049 0.000 1.107 525 S CB 0.000 63.225 63.200 0.043 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517