REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1mcz_1_N DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.673 177.584 0.149 0.000 1.274 2 A CA 0.000 52.115 52.037 0.130 0.000 0.836 2 A CB 0.000 19.084 19.000 0.140 0.000 0.831 3 S N 0.911 116.718 115.700 0.178 0.000 2.652 3 S HA 0.530 5.000 4.470 -0.000 0.000 0.270 3 S C 1.274 176.040 174.600 0.277 0.000 1.243 3 S CA -0.013 58.316 58.200 0.214 0.000 0.999 3 S CB 1.311 64.652 63.200 0.235 0.000 0.973 3 S HN 1.205 nan 8.310 nan 0.000 0.544 4 V N 1.716 121.801 119.914 0.285 0.000 2.392 4 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 4 V C 2.557 178.966 176.094 0.524 0.000 1.059 4 V CA 2.300 64.788 62.300 0.313 0.000 1.051 4 V CB -1.433 30.502 31.823 0.187 0.000 0.658 4 V HN 1.043 nan 8.190 nan 0.000 0.455 5 H N 0.841 120.228 119.070 0.529 0.000 2.267 5 H HA -0.162 4.394 4.556 -0.000 0.000 0.297 5 H C 2.331 177.898 175.328 0.398 0.000 1.080 5 H CA 2.331 58.707 56.048 0.547 0.000 1.278 5 H CB -0.550 29.436 29.762 0.373 0.000 1.365 5 H HN 0.403 nan 8.280 nan 0.000 0.489 6 G N -0.465 108.610 108.800 0.457 0.000 2.446 6 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 6 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 6 G C 1.822 176.868 174.900 0.243 0.000 1.168 6 G CA 1.538 46.819 45.100 0.301 0.000 0.771 6 G HN 0.475 nan 8.290 nan 0.000 0.551 7 T N 0.893 115.621 114.554 0.291 0.000 2.788 7 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 7 T C 2.619 177.525 174.700 0.345 0.000 1.044 7 T CA 1.779 64.094 62.100 0.358 0.000 1.139 7 T CB -0.462 68.612 68.868 0.344 0.000 0.867 7 T HN 0.307 nan 8.240 nan 0.000 0.454 8 T N 0.854 115.578 114.554 0.284 0.000 2.737 8 T HA -0.061 4.289 4.350 -0.000 0.000 0.265 8 T C 1.641 176.344 174.700 0.004 0.000 1.038 8 T CA 1.111 63.333 62.100 0.203 0.000 1.144 8 T CB -0.541 68.517 68.868 0.317 0.000 0.866 8 T HN 0.437 nan 8.240 nan 0.000 0.434 9 Y N 1.242 121.483 120.300 -0.097 0.000 2.274 9 Y HA -0.105 4.445 4.550 -0.000 0.000 0.290 9 Y C 2.645 178.478 175.900 -0.111 0.000 1.145 9 Y CA 1.169 59.093 58.100 -0.293 0.000 1.203 9 Y CB -0.140 37.969 38.460 -0.584 0.000 0.984 9 Y HN 0.182 nan 8.280 nan 0.000 0.533 10 E N 0.520 120.741 120.200 0.035 0.000 2.047 10 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 10 E C 2.022 178.498 176.600 -0.206 0.000 0.987 10 E CA 1.006 57.299 56.400 -0.179 0.000 0.799 10 E CB -0.550 28.885 29.700 -0.442 0.000 0.752 10 E HN 0.349 nan 8.360 nan 0.000 0.449 11 L N 0.269 121.523 121.223 0.051 0.000 2.012 11 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 11 L C 2.164 179.118 176.870 0.139 0.000 1.073 11 L CA 1.718 56.718 54.840 0.266 0.000 0.748 11 L CB -0.634 41.654 42.059 0.381 0.000 0.891 11 L HN 0.276 nan 8.230 nan 0.000 0.431 12 L N -0.296 120.988 121.223 0.103 0.000 1.989 12 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 12 L C 2.913 179.862 176.870 0.132 0.000 1.071 12 L CA 2.116 57.021 54.840 0.109 0.000 0.749 12 L CB -0.747 41.353 42.059 0.068 0.000 0.890 12 L HN 0.420 nan 8.230 nan 0.000 0.431 13 R N -0.273 120.347 120.500 0.199 0.000 2.081 13 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 13 R C 2.225 178.517 176.300 -0.013 0.000 1.131 13 R CA 0.916 57.036 56.100 0.032 0.000 0.960 13 R CB -0.507 29.836 30.300 0.071 0.000 0.856 13 R HN 0.195 nan 8.270 nan 0.000 0.436 14 R N 0.612 121.108 120.500 -0.008 0.000 2.193 14 R HA -0.008 4.332 4.340 -0.000 0.000 0.229 14 R C 1.359 177.693 176.300 0.056 0.000 1.110 14 R CA 0.858 56.962 56.100 0.008 0.000 0.988 14 R CB -0.090 30.209 30.300 -0.001 0.000 0.871 14 R HN 0.436 nan 8.270 nan 0.000 0.458 15 Q N -0.609 119.225 119.800 0.057 0.000 2.246 15 Q HA 0.160 4.500 4.340 -0.000 0.000 0.202 15 Q C 0.684 176.697 176.000 0.023 0.000 0.883 15 Q CA 0.364 56.196 55.803 0.048 0.000 0.952 15 Q CB 1.000 29.758 28.738 0.033 0.000 1.078 15 Q HN 0.516 nan 8.270 nan 0.000 0.493 16 G N 1.145 109.947 108.800 0.003 0.000 2.176 16 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.253 16 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.253 16 G C 0.255 175.132 174.900 -0.038 0.000 0.979 16 G CA -0.055 45.035 45.100 -0.018 0.000 0.641 16 G HN 0.359 nan 8.290 nan 0.000 0.530 17 I N 1.482 122.027 120.570 -0.041 0.000 2.395 17 I HA 0.450 4.620 4.170 -0.000 0.000 0.289 17 I C 0.687 176.591 176.117 -0.355 0.000 1.023 17 I CA 0.165 61.436 61.300 -0.048 0.000 1.350 17 I CB 1.342 39.382 38.000 0.068 0.000 1.409 17 I HN 0.249 nan 8.210 nan 0.000 0.507 18 D N 1.479 121.646 120.400 -0.388 0.000 2.530 18 D HA 0.074 4.714 4.640 -0.000 0.000 0.253 18 D C -0.141 175.928 176.300 -0.384 0.000 1.338 18 D CA -0.036 53.464 54.000 -0.833 0.000 0.806 18 D CB 0.466 40.933 40.800 -0.555 0.000 1.160 18 D HN 0.288 nan 8.370 nan 0.000 0.514 19 T N 0.239 114.729 114.554 -0.106 0.000 2.881 19 T HA 0.581 4.931 4.350 -0.000 0.000 0.290 19 T C -0.848 173.851 174.700 -0.002 0.000 1.000 19 T CA -0.598 61.423 62.100 -0.130 0.000 0.978 19 T CB 2.534 71.155 68.868 -0.412 0.000 0.997 19 T HN -0.114 nan 8.240 nan 0.000 0.443 20 V N 3.951 123.863 119.914 -0.003 0.000 2.378 20 V HA 0.502 4.622 4.120 -0.000 0.000 0.288 20 V C -0.997 174.874 176.094 -0.371 0.000 1.016 20 V CA -0.844 61.565 62.300 0.181 0.000 0.840 20 V CB 0.659 32.823 31.823 0.568 0.000 0.994 20 V HN 0.796 nan 8.190 nan 0.000 0.431 21 F N 3.298 123.202 119.950 -0.077 0.000 2.405 21 F HA 0.835 5.362 4.527 -0.000 0.000 0.355 21 F C 0.894 176.566 175.800 -0.213 0.000 1.121 21 F CA -0.065 57.787 58.000 -0.247 0.000 1.112 21 F CB 1.819 40.730 39.000 -0.149 0.000 1.126 21 F HN 0.651 nan 8.300 nan 0.000 0.481 22 G N 2.227 110.905 108.800 -0.203 0.000 2.548 22 G HA2 0.281 4.240 3.960 -0.000 0.000 0.301 22 G HA3 0.281 4.240 3.960 -0.000 0.000 0.301 22 G C -2.221 172.768 174.900 0.148 0.000 1.349 22 G CA -0.910 44.204 45.100 0.023 0.000 0.792 22 G HN 0.516 nan 8.290 nan 0.000 0.481 23 N N 1.104 119.938 118.700 0.224 0.000 2.549 23 N HA 0.378 5.118 4.740 -0.000 0.000 0.281 23 N C -2.794 172.835 175.510 0.199 0.000 1.084 23 N CA -1.174 51.998 53.050 0.204 0.000 0.862 23 N CB 3.069 41.633 38.487 0.128 0.000 1.333 23 N HN 0.365 nan 8.380 nan 0.000 0.523 24 P HA 0.249 nan 4.420 nan 0.000 0.270 24 P C -0.171 177.095 177.300 -0.057 0.000 1.223 24 P CA 0.191 63.338 63.100 0.079 0.000 0.785 24 P CB 1.251 32.944 31.700 -0.011 0.000 0.923 25 G N -0.648 108.089 108.800 -0.105 0.000 2.660 25 G HA2 0.358 4.318 3.960 -0.000 0.000 0.290 25 G HA3 0.358 4.318 3.960 -0.000 0.000 0.290 25 G C 0.735 175.537 174.900 -0.163 0.000 1.432 25 G CA 0.062 44.880 45.100 -0.470 0.000 0.807 25 G HN 0.428 nan 8.290 nan 0.000 0.485 26 S N 0.198 115.797 115.700 -0.168 0.000 2.370 26 S HA -0.173 4.297 4.470 -0.000 0.000 0.226 26 S C 1.742 176.305 174.600 -0.062 0.000 1.033 26 S CA 1.774 59.921 58.200 -0.088 0.000 1.011 26 S CB -0.319 62.825 63.200 -0.094 0.000 0.852 26 S HN 0.443 nan 8.310 nan 0.000 0.457 27 N N 1.957 120.756 118.700 0.166 0.000 2.443 27 N HA -0.024 4.716 4.740 -0.000 0.000 0.184 27 N C 1.098 176.788 175.510 0.300 0.000 1.037 27 N CA 1.271 54.461 53.050 0.233 0.000 0.896 27 N CB -0.332 38.352 38.487 0.328 0.000 0.959 27 N HN 0.638 nan 8.380 nan 0.000 0.442 28 E N -0.499 119.854 120.200 0.255 0.000 2.460 28 E HA 0.213 4.563 4.350 -0.000 0.000 0.200 28 E C 1.766 178.488 176.600 0.203 0.000 1.011 28 E CA -0.155 56.417 56.400 0.287 0.000 0.912 28 E CB 0.057 29.935 29.700 0.298 0.000 0.953 28 E HN 0.216 nan 8.360 nan 0.000 0.494 29 L N 1.032 122.306 121.223 0.085 0.000 2.042 29 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 29 L C -0.654 176.248 176.870 0.053 0.000 1.076 29 L CA 1.508 56.359 54.840 0.018 0.000 0.749 29 L CB -1.385 40.644 42.059 -0.050 0.000 0.893 29 L HN 0.139 nan 8.230 nan 0.000 0.432 30 P HA -0.205 nan 4.420 nan 0.000 0.221 30 P C 1.333 178.718 177.300 0.143 0.000 1.145 30 P CA 1.323 64.556 63.100 0.221 0.000 0.795 30 P CB 0.006 31.996 31.700 0.483 0.000 0.775 31 F N -0.368 119.427 119.950 -0.257 0.000 2.317 31 F HA 0.074 4.601 4.527 -0.000 0.000 0.293 31 F C 1.707 177.466 175.800 -0.067 0.000 1.085 31 F CA 1.024 58.633 58.000 -0.653 0.000 1.390 31 F CB -0.635 37.726 39.000 -1.064 0.000 1.077 31 F HN -0.288 nan 8.300 nan 0.000 0.517 32 L N 1.040 122.167 121.223 -0.160 0.000 2.313 32 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 32 L C 1.059 177.878 176.870 -0.085 0.000 1.119 32 L CA 0.216 54.957 54.840 -0.165 0.000 0.809 32 L CB -0.817 41.158 42.059 -0.139 0.000 0.933 32 L HN 0.040 nan 8.230 nan 0.000 0.449 33 K N 0.276 120.638 120.400 -0.062 0.000 2.469 33 K HA -0.071 4.249 4.320 -0.000 0.000 0.274 33 K C -0.310 176.232 176.600 -0.096 0.000 0.983 33 K CA -0.108 56.128 56.287 -0.085 0.000 0.974 33 K CB 0.322 32.764 32.500 -0.096 0.000 0.913 33 K HN 0.005 nan 8.250 nan 0.000 0.493 34 D N 0.622 120.957 120.400 -0.108 0.000 2.723 34 D HA -0.213 4.427 4.640 -0.000 0.000 0.236 34 D C -0.725 175.479 176.300 -0.161 0.000 1.138 34 D CA 0.763 54.684 54.000 -0.132 0.000 0.676 34 D CB -1.293 39.383 40.800 -0.206 0.000 1.069 34 D HN 0.505 nan 8.370 nan 0.000 0.430 35 F N 1.133 120.895 119.950 -0.313 0.000 2.569 35 F HA 0.145 4.672 4.527 -0.000 0.000 0.395 35 F C -1.380 174.189 175.800 -0.385 0.000 1.028 35 F CA -1.300 56.441 58.000 -0.431 0.000 1.158 35 F CB 0.302 39.138 39.000 -0.275 0.000 1.023 35 F HN -0.132 nan 8.300 nan 0.000 0.547 36 P HA -0.047 nan 4.420 nan 0.000 0.265 36 P C 0.282 177.405 177.300 -0.295 0.000 1.187 36 P CA 0.288 63.043 63.100 -0.575 0.000 0.766 36 P CB 0.478 31.756 31.700 -0.704 0.000 0.820 37 E N 1.510 121.635 120.200 -0.125 0.000 2.338 37 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 37 E C 0.736 177.330 176.600 -0.009 0.000 1.007 37 E CA 0.869 57.247 56.400 -0.036 0.000 0.849 37 E CB -0.078 29.605 29.700 -0.028 0.000 0.774 37 E HN 0.618 nan 8.360 nan 0.000 0.506 38 D N -0.263 120.141 120.400 0.006 0.000 2.328 38 D HA -0.028 4.612 4.640 -0.000 0.000 0.221 38 D C 0.032 176.274 176.300 -0.097 0.000 1.072 38 D CA -0.003 53.982 54.000 -0.025 0.000 0.850 38 D CB -0.143 40.634 40.800 -0.039 0.000 0.922 38 D HN -0.041 nan 8.370 nan 0.000 0.516 39 F N 1.157 120.961 119.950 -0.244 0.000 2.556 39 F HA 0.483 5.010 4.527 -0.000 0.000 0.327 39 F C 0.644 176.444 175.800 -0.000 0.000 1.059 39 F CA -1.167 56.684 58.000 -0.248 0.000 0.953 39 F CB 1.726 40.333 39.000 -0.655 0.000 1.227 39 F HN -0.217 nan 8.300 nan 0.000 0.478 40 R N 1.016 121.700 120.500 0.306 0.000 2.750 40 R HA 0.590 4.930 4.340 -0.000 0.000 0.281 40 R C -2.229 174.279 176.300 0.345 0.000 0.972 40 R CA -0.894 55.396 56.100 0.318 0.000 0.912 40 R CB 1.794 32.118 30.300 0.039 0.000 1.187 40 R HN 0.678 nan 8.270 nan 0.000 0.464 41 Y N 3.127 123.466 120.300 0.065 0.000 2.352 41 Y HA 0.460 5.010 4.550 -0.000 0.000 0.339 41 Y C -0.866 174.880 175.900 -0.257 0.000 0.992 41 Y CA -1.225 56.780 58.100 -0.159 0.000 1.100 41 Y CB 1.468 39.664 38.460 -0.441 0.000 1.192 41 Y HN 0.523 nan 8.280 nan 0.000 0.458 42 I N 8.072 128.205 120.570 -0.729 0.000 2.354 42 I HA 0.196 4.365 4.170 -0.000 0.000 0.286 42 I C -0.851 175.054 176.117 -0.353 0.000 1.007 42 I CA -0.782 60.119 61.300 -0.665 0.000 1.167 42 I CB 0.995 38.533 38.000 -0.769 0.000 1.320 42 I HN 0.506 nan 8.210 nan 0.000 0.458 43 L N 6.777 128.114 121.223 0.190 0.000 2.312 43 L HA 0.796 5.136 4.340 -0.000 0.000 0.281 43 L C -0.074 177.042 176.870 0.410 0.000 1.070 43 L CA 0.130 55.199 54.840 0.381 0.000 0.805 43 L CB 1.342 43.769 42.059 0.614 0.000 1.174 43 L HN 0.694 nan 8.230 nan 0.000 0.434 44 A N 4.882 127.866 122.820 0.274 0.000 2.401 44 A HA 0.539 4.859 4.320 -0.000 0.000 0.310 44 A C 0.404 178.060 177.584 0.120 0.000 1.075 44 A CA -0.637 51.537 52.037 0.228 0.000 0.746 44 A CB 1.070 20.157 19.000 0.144 0.000 1.277 44 A HN 0.870 nan 8.150 nan 0.000 0.425 45 L N 0.064 121.302 121.223 0.024 0.000 2.465 45 L HA 0.049 4.389 4.340 -0.000 0.000 0.224 45 L C 0.950 177.791 176.870 -0.047 0.000 1.145 45 L CA 0.969 55.745 54.840 -0.106 0.000 0.834 45 L CB -0.050 41.855 42.059 -0.256 0.000 0.944 45 L HN 0.705 nan 8.230 nan 0.000 0.451 46 Q N -0.565 119.235 119.800 -0.001 0.000 2.353 46 Q HA 0.112 4.452 4.340 -0.000 0.000 0.275 46 Q C -0.160 175.866 176.000 0.044 0.000 1.029 46 Q CA -0.299 55.515 55.803 0.019 0.000 0.848 46 Q CB 2.328 31.074 28.738 0.013 0.000 1.390 46 Q HN -0.026 nan 8.270 nan 0.000 0.401 47 E N 1.398 121.631 120.200 0.055 0.000 2.171 47 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 47 E C 1.521 178.154 176.600 0.054 0.000 0.997 47 E CA 1.961 58.399 56.400 0.064 0.000 0.810 47 E CB -0.011 29.731 29.700 0.071 0.000 0.738 47 E HN 0.659 nan 8.360 nan 0.000 0.467 48 A N -0.005 122.846 122.820 0.052 0.000 1.972 48 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 48 A C 2.297 179.909 177.584 0.046 0.000 1.169 48 A CA 1.403 53.473 52.037 0.054 0.000 0.635 48 A CB -0.735 18.306 19.000 0.069 0.000 0.810 48 A HN 0.428 nan 8.150 nan 0.000 0.446 49 C N -1.537 117.787 119.300 0.041 0.000 2.486 49 C HA 0.026 4.486 4.460 -0.000 0.000 0.279 49 C C 2.654 177.660 174.990 0.026 0.000 1.302 49 C CA 0.600 59.635 59.018 0.029 0.000 1.720 49 C CB -1.190 26.568 27.740 0.029 0.000 2.030 49 C HN 0.438 nan 8.230 nan 0.000 0.490 50 V N 1.256 121.197 119.914 0.045 0.000 2.233 50 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 50 V C 2.477 178.568 176.094 -0.004 0.000 1.050 50 V CA 2.368 64.701 62.300 0.054 0.000 1.010 50 V CB -0.823 31.047 31.823 0.078 0.000 0.637 50 V HN 0.449 nan 8.190 nan 0.000 0.444 51 V N 0.755 120.671 119.914 0.003 0.000 2.427 51 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 51 V C 2.600 178.665 176.094 -0.048 0.000 1.051 51 V CA 1.995 64.282 62.300 -0.021 0.000 1.048 51 V CB -1.398 30.439 31.823 0.023 0.000 0.666 51 V HN 0.630 nan 8.190 nan 0.000 0.456 52 G N 0.069 108.854 108.800 -0.026 0.000 2.418 52 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 52 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 52 G C 1.568 176.364 174.900 -0.173 0.000 1.158 52 G CA 1.050 46.118 45.100 -0.054 0.000 0.771 52 G HN 0.482 nan 8.290 nan 0.000 0.545 53 I N 1.351 121.818 120.570 -0.172 0.000 2.142 53 I HA -0.171 3.999 4.170 -0.000 0.000 0.240 53 I C 3.326 179.161 176.117 -0.470 0.000 1.078 53 I CA 1.022 62.187 61.300 -0.225 0.000 1.343 53 I CB -0.317 37.630 38.000 -0.088 0.000 1.046 53 I HN 0.245 nan 8.210 nan 0.000 0.405 54 A N 0.283 122.665 122.820 -0.730 0.000 1.940 54 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 54 A C 2.075 179.411 177.584 -0.413 0.000 1.176 54 A CA 2.205 53.587 52.037 -1.092 0.000 0.631 54 A CB -0.662 17.872 19.000 -0.777 0.000 0.814 54 A HN 0.444 nan 8.150 nan 0.000 0.446 55 D N -0.356 119.919 120.400 -0.209 0.000 2.084 55 D HA -0.098 4.542 4.640 -0.000 0.000 0.194 55 D C 2.113 178.377 176.300 -0.061 0.000 0.990 55 D CA 1.734 55.711 54.000 -0.039 0.000 0.826 55 D CB -0.632 40.241 40.800 0.123 0.000 0.971 55 D HN 0.315 nan 8.370 nan 0.000 0.453 56 G N -0.893 107.809 108.800 -0.164 0.000 2.440 56 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 56 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 56 G C 1.700 176.481 174.900 -0.197 0.000 1.154 56 G CA 0.964 45.897 45.100 -0.277 0.000 0.767 56 G HN 0.370 nan 8.290 nan 0.000 0.552 57 Y N 1.974 122.117 120.300 -0.261 0.000 2.128 57 Y HA -0.040 4.510 4.550 -0.000 0.000 0.284 57 Y C 2.939 178.785 175.900 -0.089 0.000 1.154 57 Y CA 1.529 59.536 58.100 -0.154 0.000 1.149 57 Y CB -0.348 38.014 38.460 -0.163 0.000 0.976 57 Y HN 0.254 nan 8.280 nan 0.000 0.505 58 A N -0.006 122.813 122.820 -0.001 0.000 1.873 58 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 58 A C 2.122 179.681 177.584 -0.041 0.000 1.186 58 A CA 1.829 53.861 52.037 -0.009 0.000 0.616 58 A CB -0.744 18.282 19.000 0.044 0.000 0.823 58 A HN 0.641 nan 8.150 nan 0.000 0.442 59 Q N -0.707 119.071 119.800 -0.036 0.000 2.084 59 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 59 Q C 2.422 178.446 176.000 0.041 0.000 0.978 59 Q CA 1.462 57.282 55.803 0.030 0.000 0.844 59 Q CB -0.345 28.423 28.738 0.051 0.000 0.898 59 Q HN 0.689 nan 8.270 nan 0.000 0.426 60 A N 1.068 123.838 122.820 -0.084 0.000 1.897 60 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 60 A C 2.239 179.776 177.584 -0.077 0.000 1.181 60 A CA 1.548 53.570 52.037 -0.025 0.000 0.620 60 A CB -0.495 18.444 19.000 -0.103 0.000 0.821 60 A HN 0.430 nan 8.150 nan 0.000 0.443 61 S N -1.250 114.323 115.700 -0.211 0.000 2.481 61 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 61 S C 0.965 175.500 174.600 -0.108 0.000 0.996 61 S CA 0.702 58.761 58.200 -0.235 0.000 0.942 61 S CB -0.374 62.535 63.200 -0.485 0.000 0.768 61 S HN 0.524 nan 8.310 nan 0.000 0.520 62 R N 0.384 120.851 120.500 -0.056 0.000 3.641 62 R HA -0.116 4.223 4.340 -0.000 0.000 0.286 62 R C -0.915 175.382 176.300 -0.005 0.000 1.153 62 R CA 0.989 57.086 56.100 -0.006 0.000 0.775 62 R CB -1.997 28.308 30.300 0.009 0.000 1.215 62 R HN 0.565 nan 8.270 nan 0.000 0.474 63 K N -0.037 120.355 120.400 -0.013 0.000 2.508 63 K HA 0.421 4.741 4.320 -0.000 0.000 0.260 63 K C -2.554 174.080 176.600 0.057 0.000 0.949 63 K CA -2.023 54.275 56.287 0.018 0.000 0.834 63 K CB 2.631 35.138 32.500 0.012 0.000 1.365 63 K HN -0.219 nan 8.250 nan 0.000 0.437 64 P HA 0.022 nan 4.420 nan 0.000 0.268 64 P C -1.262 176.162 177.300 0.206 0.000 1.208 64 P CA -0.186 62.986 63.100 0.120 0.000 0.777 64 P CB 0.783 32.546 31.700 0.104 0.000 0.875 65 A N 2.849 125.805 122.820 0.227 0.000 2.342 65 A HA 0.569 4.889 4.320 -0.000 0.000 0.323 65 A C -1.116 176.672 177.584 0.341 0.000 1.125 65 A CA -0.654 51.586 52.037 0.339 0.000 0.785 65 A CB 0.528 19.658 19.000 0.218 0.000 1.221 65 A HN 0.500 nan 8.150 nan 0.000 0.463 66 F N 2.726 122.861 119.950 0.309 0.000 2.408 66 F HA 0.710 5.237 4.527 -0.000 0.000 0.344 66 F C -0.421 175.561 175.800 0.304 0.000 1.112 66 F CA -0.503 57.654 58.000 0.262 0.000 1.096 66 F CB 0.698 39.849 39.000 0.251 0.000 1.129 66 F HN 0.430 nan 8.300 nan 0.000 0.486 67 I N 4.737 125.092 120.570 -0.359 0.000 2.689 67 I HA 0.314 4.484 4.170 -0.000 0.000 0.299 67 I C -1.163 174.766 176.117 -0.314 0.000 1.059 67 I CA -0.991 60.222 61.300 -0.145 0.000 1.055 67 I CB 2.247 40.214 38.000 -0.056 0.000 1.243 67 I HN 0.521 nan 8.210 nan 0.000 0.425 68 N N 5.959 124.661 118.700 0.004 0.000 2.540 68 N HA 0.573 5.313 4.740 -0.000 0.000 0.275 68 N C -1.605 173.992 175.510 0.144 0.000 1.053 68 N CA -0.320 52.783 53.050 0.088 0.000 0.876 68 N CB 1.020 39.730 38.487 0.372 0.000 1.284 68 N HN 0.472 nan 8.380 nan 0.000 0.518 69 L N 1.086 122.373 121.223 0.107 0.000 2.304 69 L HA 0.483 4.823 4.340 -0.000 0.000 0.268 69 L C -0.267 176.720 176.870 0.196 0.000 1.010 69 L CA -1.235 53.698 54.840 0.154 0.000 0.813 69 L CB 1.273 43.413 42.059 0.135 0.000 1.315 69 L HN 0.564 nan 8.230 nan 0.000 0.445 70 H N 0.538 119.670 119.070 0.102 0.000 2.741 70 H HA 0.305 4.861 4.556 -0.000 0.000 0.282 70 H C 0.306 175.690 175.328 0.093 0.000 1.122 70 H CA 0.668 56.774 56.048 0.097 0.000 1.293 70 H CB 0.643 30.454 29.762 0.082 0.000 1.415 70 H HN 0.696 nan 8.280 nan 0.000 0.472 71 S N 2.916 118.456 115.700 -0.266 0.000 2.865 71 S HA -0.377 4.093 4.470 -0.000 0.000 0.630 71 S C 1.790 176.351 174.600 -0.066 0.000 3.160 71 S CA 1.565 59.633 58.200 -0.220 0.000 3.629 71 S CB -1.254 61.688 63.200 -0.429 0.000 0.312 71 S HN 1.093 nan 8.310 nan 0.000 1.632 72 A N 0.533 123.317 122.820 -0.059 0.000 1.858 72 A HA 0.232 4.552 4.320 -0.000 0.000 0.216 72 A C 2.693 180.272 177.584 -0.008 0.000 1.190 72 A CA 2.889 54.916 52.037 -0.017 0.000 0.617 72 A CB -1.656 17.330 19.000 -0.024 0.000 0.827 72 A HN 1.789 nan 8.150 nan 0.000 0.443 73 A N -0.510 122.307 122.820 -0.005 0.000 1.892 73 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 73 A C 2.438 180.055 177.584 0.054 0.000 1.188 73 A CA 2.226 54.281 52.037 0.031 0.000 0.631 73 A CB -1.488 17.549 19.000 0.062 0.000 0.822 73 A HN 0.789 nan 8.150 nan 0.000 0.447 74 G N -1.432 107.416 108.800 0.079 0.000 2.421 74 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.216 74 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.216 74 G C 1.585 176.534 174.900 0.082 0.000 1.171 74 G CA 1.633 46.798 45.100 0.109 0.000 0.775 74 G HN 0.437 nan 8.290 nan 0.000 0.543 75 T N 1.055 115.655 114.554 0.076 0.000 2.708 75 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 75 T C 2.504 177.202 174.700 -0.003 0.000 1.037 75 T CA 1.489 63.626 62.100 0.061 0.000 1.146 75 T CB -0.660 68.245 68.868 0.062 0.000 0.865 75 T HN 0.355 nan 8.240 nan 0.000 0.435 76 G N 2.316 111.111 108.800 -0.010 0.000 2.476 76 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 76 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 76 G C 1.589 176.489 174.900 -0.001 0.000 1.164 76 G CA 0.778 45.865 45.100 -0.021 0.000 0.768 76 G HN 0.403 nan 8.290 nan 0.000 0.560 77 N N 1.050 119.763 118.700 0.022 0.000 2.443 77 N HA -0.009 4.731 4.740 -0.000 0.000 0.184 77 N C 1.916 177.446 175.510 0.033 0.000 1.037 77 N CA 0.978 54.047 53.050 0.032 0.000 0.896 77 N CB -0.123 38.391 38.487 0.045 0.000 0.959 77 N HN 0.369 nan 8.380 nan 0.000 0.442 78 A N -0.317 122.519 122.820 0.027 0.000 2.348 78 A HA 0.183 4.503 4.320 -0.000 0.000 0.224 78 A C 1.876 179.465 177.584 0.008 0.000 1.227 78 A CA -0.126 51.928 52.037 0.029 0.000 0.885 78 A CB 0.036 19.061 19.000 0.041 0.000 0.933 78 A HN -0.006 nan 8.150 nan 0.000 0.506 79 M N -0.140 119.452 119.600 -0.015 0.000 2.108 79 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 79 M C 2.209 178.493 176.300 -0.026 0.000 1.066 79 M CA 1.708 56.983 55.300 -0.040 0.000 1.107 79 M CB -1.688 30.876 32.600 -0.059 0.000 1.356 79 M HN 0.473 nan 8.290 nan 0.000 0.406 80 G N -0.101 108.694 108.800 -0.009 0.000 2.418 80 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.217 80 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.217 80 G C 1.679 176.579 174.900 0.000 0.000 1.158 80 G CA 1.298 46.392 45.100 -0.009 0.000 0.771 80 G HN 0.552 nan 8.290 nan 0.000 0.545 81 A N 0.545 123.381 122.820 0.027 0.000 1.933 81 A HA 0.094 4.414 4.320 -0.000 0.000 0.218 81 A C 2.413 180.025 177.584 0.046 0.000 1.175 81 A CA 1.223 53.293 52.037 0.055 0.000 0.628 81 A CB -0.393 18.647 19.000 0.068 0.000 0.814 81 A HN 0.358 nan 8.150 nan 0.000 0.444 82 L N 0.515 121.758 121.223 0.033 0.000 2.201 82 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 82 L C 2.991 179.899 176.870 0.062 0.000 1.105 82 L CA 1.411 56.282 54.840 0.051 0.000 0.775 82 L CB -0.480 41.594 42.059 0.026 0.000 0.913 82 L HN 0.661 nan 8.230 nan 0.000 0.440 83 S N -0.381 115.326 115.700 0.012 0.000 2.382 83 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 83 S C 1.766 176.388 174.600 0.036 0.000 1.027 83 S CA 1.172 59.375 58.200 0.005 0.000 0.991 83 S CB -0.354 62.818 63.200 -0.047 0.000 0.823 83 S HN 0.431 nan 8.310 nan 0.000 0.469 84 N N 2.521 121.207 118.700 -0.024 0.000 2.106 84 N HA 0.089 4.829 4.740 -0.000 0.000 0.188 84 N C 2.122 177.594 175.510 -0.063 0.000 1.029 84 N CA 1.477 54.460 53.050 -0.112 0.000 0.848 84 N CB -1.010 37.329 38.487 -0.246 0.000 1.007 84 N HN 0.595 nan 8.380 nan 0.000 0.423 85 A N 1.559 124.386 122.820 0.013 0.000 1.948 85 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 85 A C 2.045 179.674 177.584 0.076 0.000 1.177 85 A CA 1.239 53.306 52.037 0.050 0.000 0.636 85 A CB -1.121 17.933 19.000 0.091 0.000 0.815 85 A HN 0.616 nan 8.150 nan 0.000 0.449 86 W N 1.037 122.307 121.300 -0.049 0.000 2.358 86 W HA -0.182 4.478 4.660 -0.000 0.000 0.303 86 W C 1.364 177.809 176.519 -0.123 0.000 1.208 86 W CA 1.967 59.285 57.345 -0.044 0.000 1.274 86 W CB -0.475 28.963 29.460 -0.037 0.000 1.138 86 W HN 0.412 nan 8.180 nan 0.000 0.515 87 N N 0.307 119.010 118.700 0.005 0.000 2.331 87 N HA -0.142 4.598 4.740 -0.000 0.000 0.180 87 N C 1.782 177.097 175.510 -0.325 0.000 1.019 87 N CA 2.011 54.965 53.050 -0.160 0.000 0.881 87 N CB -0.444 38.023 38.487 -0.034 0.000 0.972 87 N HN 0.129 nan 8.380 nan 0.000 0.435 88 S N -1.531 114.032 115.700 -0.227 0.000 2.556 88 S HA 0.092 4.562 4.470 -0.000 0.000 0.216 88 S C -0.110 174.436 174.600 -0.089 0.000 0.970 88 S CA -0.291 57.820 58.200 -0.149 0.000 0.912 88 S CB -0.531 62.634 63.200 -0.058 0.000 0.790 88 S HN 0.399 nan 8.310 nan 0.000 0.504 89 H N 0.866 119.865 119.070 -0.118 0.000 2.791 89 H HA -0.130 4.426 4.556 -0.000 0.000 0.302 89 H C -0.668 174.627 175.328 -0.054 0.000 1.198 89 H CA 0.390 56.356 56.048 -0.137 0.000 1.145 89 H CB -2.149 27.543 29.762 -0.117 0.000 1.385 89 H HN 0.375 nan 8.280 nan 0.000 0.409 90 S N 2.509 118.248 115.700 0.065 0.000 2.481 90 S HA 0.119 4.589 4.470 -0.000 0.000 0.276 90 S C -1.820 172.822 174.600 0.071 0.000 1.247 90 S CA -0.992 57.250 58.200 0.071 0.000 1.053 90 S CB 0.932 64.172 63.200 0.066 0.000 0.925 90 S HN 0.210 nan 8.310 nan 0.000 0.491 91 P HA 0.189 nan 4.420 nan 0.000 0.263 91 P C -1.050 176.301 177.300 0.085 0.000 1.601 91 P CA 0.005 63.148 63.100 0.071 0.000 1.161 91 P CB -0.185 31.550 31.700 0.058 0.000 1.730 92 L N 4.530 125.807 121.223 0.091 0.000 2.313 92 L HA 0.506 4.846 4.340 -0.000 0.000 0.283 92 L C 0.683 177.607 176.870 0.090 0.000 1.013 92 L CA -0.983 53.908 54.840 0.085 0.000 0.816 92 L CB 1.928 44.028 42.059 0.069 0.000 1.236 92 L HN 0.156 nan 8.230 nan 0.000 0.419 93 I N 4.233 124.842 120.570 0.065 0.000 2.310 93 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 93 I C -0.308 175.720 176.117 -0.148 0.000 1.073 93 I CA -0.517 60.796 61.300 0.022 0.000 1.216 93 I CB 1.252 39.307 38.000 0.093 0.000 1.415 93 I HN 0.248 nan 8.210 nan 0.000 0.480 94 V N 5.328 125.213 119.914 -0.048 0.000 2.348 94 V HA 0.278 4.398 4.120 -0.000 0.000 0.270 94 V C 0.582 176.563 176.094 -0.187 0.000 1.037 94 V CA -0.375 61.884 62.300 -0.068 0.000 0.872 94 V CB 1.079 32.995 31.823 0.155 0.000 1.002 94 V HN 0.795 nan 8.190 nan 0.000 0.464 95 T N 2.299 116.657 114.554 -0.326 0.000 2.823 95 T HA 0.865 5.215 4.350 -0.000 0.000 0.279 95 T C -0.407 174.157 174.700 -0.226 0.000 0.998 95 T CA -0.542 61.355 62.100 -0.337 0.000 0.994 95 T CB 1.967 70.634 68.868 -0.336 0.000 0.960 95 T HN 0.949 nan 8.240 nan 0.000 0.448 96 A N 2.022 124.685 122.820 -0.261 0.000 2.393 96 A HA 0.858 5.178 4.320 -0.000 0.000 0.306 96 A C 0.378 177.944 177.584 -0.030 0.000 1.050 96 A CA -0.725 51.260 52.037 -0.086 0.000 0.724 96 A CB 1.242 20.233 19.000 -0.015 0.000 1.248 96 A HN 1.336 nan 8.150 nan 0.000 0.424 97 G N 0.641 109.490 108.800 0.081 0.000 2.378 97 G HA2 0.461 4.421 3.960 -0.000 0.000 0.255 97 G HA3 0.461 4.421 3.960 -0.000 0.000 0.255 97 G C -0.119 174.837 174.900 0.093 0.000 1.270 97 G CA 0.038 45.235 45.100 0.162 0.000 0.876 97 G HN 0.846 nan 8.290 nan 0.000 0.521 98 Q N 0.627 120.491 119.800 0.108 0.000 2.241 98 Q HA 0.338 4.678 4.340 -0.000 0.000 0.262 98 Q C 0.332 176.413 176.000 0.135 0.000 1.014 98 Q CA -0.648 55.187 55.803 0.053 0.000 0.885 98 Q CB 1.031 29.754 28.738 -0.024 0.000 1.311 98 Q HN 0.503 nan 8.270 nan 0.000 0.461 99 Q N 0.273 120.122 119.800 0.082 0.000 2.535 99 Q HA 0.090 4.430 4.340 -0.000 0.000 0.228 99 Q C -0.557 175.351 176.000 -0.153 0.000 1.062 99 Q CA 0.243 56.109 55.803 0.105 0.000 0.967 99 Q CB 0.761 29.534 28.738 0.059 0.000 1.273 99 Q HN 0.835 nan 8.270 nan 0.000 0.554 100 T N 0.699 114.971 114.554 -0.469 0.000 2.916 100 T HA 0.039 4.389 4.350 -0.000 0.000 0.303 100 T C 1.287 175.815 174.700 -0.287 0.000 1.025 100 T CA 0.052 61.747 62.100 -0.675 0.000 1.142 100 T CB 0.338 68.725 68.868 -0.802 0.000 0.947 100 T HN 0.511 nan 8.240 nan 0.000 0.544 101 R N 3.241 123.600 120.500 -0.235 0.000 2.154 101 R HA -0.173 4.167 4.340 -0.000 0.000 0.248 101 R C 2.504 178.740 176.300 -0.108 0.000 1.155 101 R CA 1.575 57.588 56.100 -0.146 0.000 0.979 101 R CB -0.546 29.678 30.300 -0.128 0.000 0.869 101 R HN 0.764 nan 8.270 nan 0.000 0.452 102 A N 0.164 122.917 122.820 -0.110 0.000 2.121 102 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 102 A C 1.734 179.289 177.584 -0.049 0.000 1.154 102 A CA 1.023 53.019 52.037 -0.068 0.000 0.679 102 A CB -0.023 18.943 19.000 -0.056 0.000 0.795 102 A HN 0.196 nan 8.150 nan 0.000 0.458 103 M N -1.218 118.348 119.600 -0.057 0.000 2.347 103 M HA 0.316 4.796 4.480 -0.000 0.000 0.302 103 M C 0.908 177.194 176.300 -0.024 0.000 1.051 103 M CA 0.122 55.406 55.300 -0.026 0.000 0.988 103 M CB 0.239 32.839 32.600 0.001 0.000 1.475 103 M HN 0.303 nan 8.290 nan 0.000 0.530 104 I N 0.200 120.744 120.570 -0.043 0.000 2.439 104 I HA -0.104 4.066 4.170 -0.000 0.000 0.251 104 I C 2.458 178.557 176.117 -0.030 0.000 1.139 104 I CA 1.241 62.518 61.300 -0.039 0.000 1.438 104 I CB -0.474 37.491 38.000 -0.057 0.000 1.085 104 I HN 0.372 nan 8.210 nan 0.000 0.427 105 G N 1.255 110.036 108.800 -0.030 0.000 2.446 105 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 105 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 105 G C 1.623 176.513 174.900 -0.016 0.000 1.168 105 G CA 1.345 46.430 45.100 -0.024 0.000 0.771 105 G HN 0.382 nan 8.290 nan 0.000 0.551 106 V N -2.261 117.647 119.914 -0.011 0.000 3.380 106 V HA 0.244 4.364 4.120 -0.000 0.000 0.268 106 V C 0.693 176.785 176.094 -0.003 0.000 1.168 106 V CA 0.943 63.240 62.300 -0.005 0.000 1.156 106 V CB -0.835 30.988 31.823 -0.000 0.000 0.785 106 V HN 0.515 nan 8.190 nan 0.000 0.487 107 E N -0.021 120.176 120.200 -0.005 0.000 2.260 107 E HA -0.169 4.181 4.350 -0.000 0.000 0.204 107 E C 0.535 177.140 176.600 0.008 0.000 1.319 107 E CA 0.188 56.587 56.400 -0.002 0.000 0.679 107 E CB -1.363 28.334 29.700 -0.005 0.000 1.158 107 E HN 0.998 nan 8.360 nan 0.000 0.376 108 A N 0.958 123.787 122.820 0.016 0.000 2.406 108 A HA 0.380 4.700 4.320 -0.000 0.000 0.243 108 A C 0.423 178.029 177.584 0.037 0.000 1.082 108 A CA -0.326 51.729 52.037 0.030 0.000 0.786 108 A CB 0.437 19.463 19.000 0.043 0.000 1.029 108 A HN 0.374 nan 8.150 nan 0.000 0.495 109 L N 0.806 122.055 121.223 0.043 0.000 2.543 109 L HA 0.059 4.399 4.340 -0.000 0.000 0.285 109 L C 0.829 177.737 176.870 0.064 0.000 1.236 109 L CA 1.419 56.288 54.840 0.048 0.000 0.871 109 L CB -0.327 41.764 42.059 0.053 0.000 1.121 109 L HN 0.739 nan 8.230 nan 0.000 0.501 110 L N 1.535 122.788 121.223 0.050 0.000 4.892 110 L HA -0.209 4.131 4.340 -0.000 0.000 0.403 110 L C 0.260 177.136 176.870 0.010 0.000 0.913 110 L CA 0.442 55.302 54.840 0.034 0.000 1.653 110 L CB -2.422 39.699 42.059 0.103 0.000 1.780 110 L HN 0.760 nan 8.230 nan 0.000 0.597 111 T N 1.073 115.636 114.554 0.015 0.000 2.814 111 T HA 0.159 4.509 4.350 -0.000 0.000 0.297 111 T C 0.610 175.301 174.700 -0.015 0.000 0.956 111 T CA -0.022 62.079 62.100 0.002 0.000 1.123 111 T CB 1.052 69.920 68.868 0.000 0.000 0.902 111 T HN 0.132 nan 8.240 nan 0.000 0.528 112 N N 4.062 122.749 118.700 -0.021 0.000 2.482 112 N HA 0.107 4.847 4.740 -0.000 0.000 0.242 112 N C -0.454 175.043 175.510 -0.022 0.000 1.100 112 N CA -0.245 52.794 53.050 -0.019 0.000 0.946 112 N CB 0.190 38.676 38.487 -0.002 0.000 1.227 112 N HN 0.284 nan 8.380 nan 0.000 0.508 113 V N 3.330 123.230 119.914 -0.024 0.000 2.585 113 V HA -0.009 4.111 4.120 -0.000 0.000 0.296 113 V C 0.921 176.994 176.094 -0.035 0.000 1.035 113 V CA -0.127 62.155 62.300 -0.029 0.000 1.084 113 V CB 0.592 32.399 31.823 -0.026 0.000 0.953 113 V HN 0.733 nan 8.190 nan 0.000 0.483 114 D N 3.359 123.734 120.400 -0.042 0.000 2.737 114 D HA -0.269 4.371 4.640 -0.000 0.000 0.233 114 D C 1.352 177.624 176.300 -0.046 0.000 1.155 114 D CA 1.005 54.977 54.000 -0.048 0.000 0.667 114 D CB -0.590 40.182 40.800 -0.046 0.000 1.060 114 D HN 0.836 nan 8.370 nan 0.000 0.427 115 A N 0.621 123.422 122.820 -0.031 0.000 1.893 115 A HA -0.170 4.150 4.320 -0.000 0.000 0.222 115 A C 2.579 180.186 177.584 0.038 0.000 1.309 115 A CA 3.568 55.617 52.037 0.020 0.000 0.681 115 A CB -1.316 17.705 19.000 0.035 0.000 0.842 115 A HN 1.058 nan 8.150 nan 0.000 0.468 116 A N -0.838 121.983 122.820 0.001 0.000 2.032 116 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 116 A C 1.840 179.379 177.584 -0.076 0.000 1.165 116 A CA 1.991 54.020 52.037 -0.013 0.000 0.645 116 A CB -0.668 18.279 19.000 -0.089 0.000 0.807 116 A HN 0.620 nan 8.150 nan 0.000 0.453 117 N N -0.672 117.978 118.700 -0.084 0.000 2.457 117 N HA -0.042 4.698 4.740 -0.000 0.000 0.180 117 N C 1.459 176.886 175.510 -0.140 0.000 1.050 117 N CA 0.778 53.768 53.050 -0.101 0.000 0.906 117 N CB -0.290 38.151 38.487 -0.078 0.000 0.968 117 N HN 0.437 nan 8.380 nan 0.000 0.445 118 L N 2.733 123.856 121.223 -0.167 0.000 1.970 118 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 118 L C -0.885 175.816 176.870 -0.281 0.000 1.071 118 L CA 2.096 56.811 54.840 -0.208 0.000 0.751 118 L CB -1.454 40.478 42.059 -0.210 0.000 0.889 118 L HN 0.102 nan 8.230 nan 0.000 0.432 119 P HA -0.094 nan 4.420 nan 0.000 0.236 119 P C 0.040 177.187 177.300 -0.255 0.000 1.177 119 P CA 0.472 63.336 63.100 -0.394 0.000 0.773 119 P CB -0.084 31.242 31.700 -0.623 0.000 0.878 120 R N 1.916 122.286 120.500 -0.218 0.000 2.643 120 R HA 0.130 4.470 4.340 -0.000 0.000 0.270 120 R C -1.388 174.791 176.300 -0.201 0.000 1.061 120 R CA -0.892 55.095 56.100 -0.188 0.000 1.107 120 R CB -0.131 30.085 30.300 -0.140 0.000 0.999 120 R HN 0.128 nan 8.270 nan 0.000 0.460 121 P HA 0.105 nan 4.420 nan 0.000 0.248 121 P C -0.027 176.927 177.300 -0.577 0.000 1.708 121 P CA 0.272 63.170 63.100 -0.338 0.000 1.062 121 P CB 0.271 31.784 31.700 -0.312 0.000 1.562 122 L N 0.043 121.010 121.223 -0.426 0.000 2.653 122 L HA 0.183 4.523 4.340 -0.000 0.000 0.231 122 L C 0.758 177.580 176.870 -0.079 0.000 1.153 122 L CA -0.246 54.336 54.840 -0.431 0.000 0.933 122 L CB 0.206 42.134 42.059 -0.218 0.000 1.175 122 L HN -0.078 nan 8.230 nan 0.000 0.473 123 V N -5.321 114.579 119.914 -0.023 0.000 3.007 123 V HA 0.373 4.493 4.120 -0.000 0.000 0.311 123 V C 0.627 176.998 176.094 0.460 0.000 1.120 123 V CA -1.050 61.429 62.300 0.299 0.000 0.980 123 V CB 2.162 34.089 31.823 0.173 0.000 1.033 123 V HN 0.030 nan 8.190 nan 0.000 0.429 124 K N 0.917 121.644 120.400 0.545 0.000 2.148 124 K HA 0.073 4.393 4.320 -0.000 0.000 0.204 124 K C -0.220 176.643 176.600 0.438 0.000 1.050 124 K CA 1.712 58.282 56.287 0.471 0.000 0.942 124 K CB 0.158 32.837 32.500 0.298 0.000 0.724 124 K HN 0.745 nan 8.250 nan 0.000 0.446 125 W N -0.057 121.344 121.300 0.170 0.000 3.425 125 W HA 0.313 4.973 4.660 -0.000 0.000 0.318 125 W C -1.626 174.992 176.519 0.165 0.000 1.201 125 W CA -0.667 56.757 57.345 0.130 0.000 1.212 125 W CB 1.924 31.434 29.460 0.084 0.000 1.355 125 W HN -0.360 nan 8.180 nan 0.000 0.515 126 S N 5.178 120.639 115.700 -0.398 0.000 2.571 126 S HA 0.762 5.232 4.470 -0.000 0.000 0.284 126 S C -2.057 172.191 174.600 -0.586 0.000 1.128 126 S CA -0.308 57.710 58.200 -0.304 0.000 0.970 126 S CB 0.744 63.899 63.200 -0.076 0.000 1.039 126 S HN 0.504 nan 8.310 nan 0.000 0.485 127 Y N 2.204 122.059 120.300 -0.742 0.000 2.624 127 Y HA 0.566 5.116 4.550 -0.000 0.000 0.334 127 Y C -1.535 174.140 175.900 -0.375 0.000 1.155 127 Y CA -0.700 56.996 58.100 -0.674 0.000 1.046 127 Y CB 1.547 39.284 38.460 -1.205 0.000 1.316 127 Y HN 0.686 nan 8.280 nan 0.000 0.457 128 E N 5.237 124.868 120.200 -0.948 0.000 2.265 128 E HA 0.487 4.837 4.350 -0.000 0.000 0.262 128 E C -2.958 173.100 176.600 -0.904 0.000 0.889 128 E CA -2.389 53.618 56.400 -0.654 0.000 0.789 128 E CB 1.943 31.403 29.700 -0.399 0.000 1.221 128 E HN 0.307 nan 8.360 nan 0.000 0.414 129 P HA 0.037 nan 4.420 nan 0.000 0.267 129 P C -0.256 176.933 177.300 -0.186 0.000 1.200 129 P CA 0.164 63.154 63.100 -0.184 0.000 0.772 129 P CB 1.015 32.705 31.700 -0.017 0.000 0.855 130 A N 1.605 124.380 122.820 -0.076 0.000 2.238 130 A HA 0.259 4.579 4.320 -0.000 0.000 0.208 130 A C 0.561 178.118 177.584 -0.044 0.000 1.177 130 A CA 0.976 52.976 52.037 -0.062 0.000 0.804 130 A CB -0.517 18.480 19.000 -0.006 0.000 0.823 130 A HN 0.608 nan 8.150 nan 0.000 0.482 131 S N -3.959 111.719 115.700 -0.037 0.000 2.567 131 S HA 0.591 5.061 4.470 -0.000 0.000 0.270 131 S C 0.610 175.177 174.600 -0.055 0.000 1.152 131 S CA -0.027 58.149 58.200 -0.040 0.000 0.835 131 S CB 0.950 64.144 63.200 -0.009 0.000 1.115 131 S HN 0.985 nan 8.310 nan 0.000 0.459 132 A N 1.701 124.478 122.820 -0.072 0.000 1.908 132 A HA 0.240 4.560 4.320 -0.000 0.000 0.218 132 A C 2.315 179.869 177.584 -0.050 0.000 1.181 132 A CA 2.132 54.109 52.037 -0.100 0.000 0.627 132 A CB -1.609 17.341 19.000 -0.084 0.000 0.818 132 A HN 1.820 nan 8.150 nan 0.000 0.445 133 A N -0.786 122.031 122.820 -0.005 0.000 2.131 133 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 133 A C 1.934 179.548 177.584 0.050 0.000 1.158 133 A CA 1.671 53.724 52.037 0.027 0.000 0.665 133 A CB -0.436 18.583 19.000 0.031 0.000 0.795 133 A HN 0.680 nan 8.150 nan 0.000 0.460 134 E N -0.189 120.044 120.200 0.055 0.000 2.371 134 E HA -0.019 4.331 4.350 -0.000 0.000 0.194 134 E C 1.649 178.326 176.600 0.127 0.000 1.012 134 E CA 0.610 57.084 56.400 0.123 0.000 0.860 134 E CB -0.033 29.755 29.700 0.147 0.000 0.811 134 E HN 0.373 nan 8.360 nan 0.000 0.502 135 V N 1.790 121.724 119.914 0.033 0.000 2.250 135 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 135 V C -0.696 175.457 176.094 0.098 0.000 1.060 135 V CA 2.356 64.653 62.300 -0.006 0.000 1.030 135 V CB -1.528 30.163 31.823 -0.219 0.000 0.643 135 V HN 0.287 nan 8.190 nan 0.000 0.445 136 P HA -0.199 nan 4.420 nan 0.000 0.216 136 P C 1.712 179.137 177.300 0.207 0.000 1.153 136 P CA 1.820 65.030 63.100 0.183 0.000 0.858 136 P CB -0.200 31.602 31.700 0.170 0.000 0.789 137 H N -0.585 118.531 119.070 0.077 0.000 2.321 137 H HA -0.082 4.474 4.556 -0.000 0.000 0.300 137 H C 1.797 177.177 175.328 0.086 0.000 1.087 137 H CA 1.227 57.310 56.048 0.059 0.000 1.319 137 H CB -0.135 29.650 29.762 0.039 0.000 1.379 137 H HN -0.014 nan 8.280 nan 0.000 0.501 138 A N 0.920 123.790 122.820 0.083 0.000 1.933 138 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 138 A C 2.370 180.067 177.584 0.189 0.000 1.175 138 A CA 1.699 53.815 52.037 0.133 0.000 0.628 138 A CB -0.627 18.567 19.000 0.323 0.000 0.814 138 A HN 0.510 nan 8.150 nan 0.000 0.444 139 M N -0.230 119.478 119.600 0.179 0.000 2.175 139 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 139 M C 2.260 178.637 176.300 0.128 0.000 1.063 139 M CA 2.007 57.423 55.300 0.193 0.000 1.119 139 M CB -0.556 32.172 32.600 0.213 0.000 1.377 139 M HN 0.388 nan 8.290 nan 0.000 0.415 140 S N -0.136 115.629 115.700 0.109 0.000 2.356 140 S HA -0.158 4.312 4.470 -0.000 0.000 0.223 140 S C 2.045 176.654 174.600 0.014 0.000 1.032 140 S CA 1.537 59.793 58.200 0.092 0.000 1.005 140 S CB -0.177 63.144 63.200 0.201 0.000 0.867 140 S HN 0.619 nan 8.310 nan 0.000 0.449 141 R N 0.785 121.209 120.500 -0.126 0.000 2.081 141 R HA -0.014 4.326 4.340 -0.000 0.000 0.235 141 R C 2.691 178.741 176.300 -0.417 0.000 1.131 141 R CA 1.337 57.181 56.100 -0.426 0.000 0.960 141 R CB -0.681 29.080 30.300 -0.898 0.000 0.856 141 R HN 0.501 nan 8.270 nan 0.000 0.436 142 A N 1.532 124.285 122.820 -0.111 0.000 1.865 142 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 142 A C 2.202 179.812 177.584 0.045 0.000 1.191 142 A CA 1.417 53.549 52.037 0.159 0.000 0.623 142 A CB -0.616 18.578 19.000 0.323 0.000 0.826 142 A HN 0.193 nan 8.150 nan 0.000 0.444 143 I N -1.042 119.511 120.570 -0.029 0.000 2.151 143 I HA -0.300 3.869 4.170 -0.000 0.000 0.243 143 I C 2.492 178.477 176.117 -0.220 0.000 1.080 143 I CA 1.599 62.821 61.300 -0.130 0.000 1.339 143 I CB -0.630 37.209 38.000 -0.269 0.000 1.039 143 I HN 0.429 nan 8.210 nan 0.000 0.409 144 H N -0.283 118.760 119.070 -0.045 0.000 2.403 144 H HA -0.002 4.554 4.556 -0.000 0.000 0.298 144 H C 2.327 177.598 175.328 -0.095 0.000 1.059 144 H CA 1.042 57.042 56.048 -0.079 0.000 1.363 144 H CB -0.116 29.581 29.762 -0.108 0.000 1.410 144 H HN 0.251 nan 8.280 nan 0.000 0.528 145 M N 0.417 119.991 119.600 -0.045 0.000 2.213 145 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 145 M C 2.404 178.720 176.300 0.026 0.000 1.062 145 M CA 0.878 56.142 55.300 -0.060 0.000 1.105 145 M CB -0.847 31.665 32.600 -0.146 0.000 1.385 145 M HN 0.216 nan 8.290 nan 0.000 0.417 146 A N -1.154 121.694 122.820 0.047 0.000 1.970 146 A HA -0.016 4.303 4.320 -0.000 0.000 0.216 146 A C 2.387 179.992 177.584 0.035 0.000 1.170 146 A CA 1.542 53.619 52.037 0.066 0.000 0.645 146 A CB -0.413 18.640 19.000 0.088 0.000 0.816 146 A HN 0.459 nan 8.150 nan 0.000 0.447 147 S N -0.379 115.333 115.700 0.021 0.000 2.425 147 S HA 0.182 4.652 4.470 -0.000 0.000 0.225 147 S C 0.881 175.484 174.600 0.004 0.000 1.024 147 S CA 0.163 58.372 58.200 0.015 0.000 0.951 147 S CB -0.233 62.975 63.200 0.013 0.000 0.796 147 S HN 0.537 nan 8.310 nan 0.000 0.498 148 M N 1.799 121.401 119.600 0.002 0.000 2.243 148 M HA 0.283 4.763 4.480 -0.000 0.000 0.341 148 M C 0.286 176.555 176.300 -0.051 0.000 1.130 148 M CA -0.385 54.903 55.300 -0.020 0.000 1.162 148 M CB 0.306 32.892 32.600 -0.023 0.000 1.497 148 M HN 0.137 nan 8.290 nan 0.000 0.456 149 A N 4.745 127.525 122.820 -0.067 0.000 2.488 149 A HA 0.417 4.737 4.320 -0.000 0.000 0.249 149 A C -2.218 175.291 177.584 -0.125 0.000 1.083 149 A CA -1.103 50.863 52.037 -0.117 0.000 0.768 149 A CB -0.697 18.241 19.000 -0.105 0.000 1.017 149 A HN 0.529 nan 8.150 nan 0.000 0.496 150 P HA 0.176 nan 4.420 nan 0.000 0.287 150 P C -0.641 176.512 177.300 -0.246 0.000 1.281 150 P CA -0.261 62.629 63.100 -0.350 0.000 0.781 150 P CB 0.806 32.204 31.700 -0.503 0.000 0.903 151 Q N 1.168 120.850 119.800 -0.197 0.000 2.432 151 Q HA 0.486 4.826 4.340 -0.000 0.000 0.264 151 Q C 0.698 176.685 176.000 -0.021 0.000 1.035 151 Q CA 0.439 56.203 55.803 -0.064 0.000 0.908 151 Q CB 0.389 29.118 28.738 -0.015 0.000 1.280 151 Q HN 0.741 nan 8.270 nan 0.000 0.455 152 G N 1.077 109.886 108.800 0.015 0.000 2.451 152 G HA2 0.328 4.288 3.960 -0.000 0.000 0.292 152 G HA3 0.328 4.288 3.960 -0.000 0.000 0.292 152 G C -3.079 171.886 174.900 0.109 0.000 1.427 152 G CA -0.883 44.233 45.100 0.028 0.000 0.792 152 G HN 0.391 nan 8.290 nan 0.000 0.498 153 P HA 0.469 nan 4.420 nan 0.000 0.279 153 P C -0.114 177.333 177.300 0.244 0.000 1.239 153 P CA -0.174 63.040 63.100 0.191 0.000 0.789 153 P CB 1.701 33.517 31.700 0.193 0.000 0.933 154 V N 0.854 120.908 119.914 0.234 0.000 3.001 154 V HA 0.625 4.745 4.120 -0.000 0.000 0.314 154 V C -1.478 174.788 176.094 0.287 0.000 1.099 154 V CA -1.101 61.381 62.300 0.304 0.000 0.989 154 V CB 2.163 34.209 31.823 0.372 0.000 1.040 154 V HN 0.491 nan 8.190 nan 0.000 0.434 155 Y N 2.981 123.330 120.300 0.082 0.000 2.361 155 Y HA 0.822 5.372 4.550 -0.000 0.000 0.337 155 Y C -1.218 174.638 175.900 -0.074 0.000 0.965 155 Y CA -1.207 56.885 58.100 -0.015 0.000 1.091 155 Y CB 2.019 40.446 38.460 -0.055 0.000 1.182 155 Y HN 0.895 nan 8.280 nan 0.000 0.450 156 L N 5.417 126.350 121.223 -0.484 0.000 2.376 156 L HA 0.603 4.943 4.340 -0.000 0.000 0.275 156 L C -1.095 175.432 176.870 -0.572 0.000 0.987 156 L CA -0.184 54.428 54.840 -0.380 0.000 0.828 156 L CB 1.885 43.898 42.059 -0.077 0.000 1.249 156 L HN 0.562 nan 8.230 nan 0.000 0.409 157 S N 4.191 119.603 115.700 -0.480 0.000 2.442 157 S HA 0.824 5.294 4.470 -0.000 0.000 0.297 157 S C -1.005 173.466 174.600 -0.215 0.000 1.131 157 S CA -0.451 57.535 58.200 -0.358 0.000 1.092 157 S CB 0.834 63.882 63.200 -0.254 0.000 0.998 157 S HN 0.463 nan 8.310 nan 0.000 0.478 158 V N 7.563 127.396 119.914 -0.134 0.000 2.443 158 V HA 0.425 4.545 4.120 -0.000 0.000 0.293 158 V C -2.476 173.574 176.094 -0.073 0.000 1.021 158 V CA -2.092 60.121 62.300 -0.146 0.000 0.848 158 V CB 1.602 33.315 31.823 -0.184 0.000 0.998 158 V HN 0.709 nan 8.190 nan 0.000 0.424 159 P HA 0.013 nan 4.420 nan 0.000 0.264 159 P C 0.315 177.588 177.300 -0.045 0.000 1.193 159 P CA 0.058 63.094 63.100 -0.107 0.000 0.763 159 P CB 0.174 31.766 31.700 -0.180 0.000 0.810 160 Y N 2.885 123.243 120.300 0.097 0.000 2.483 160 Y HA -0.152 4.398 4.550 -0.000 0.000 0.291 160 Y C 1.276 177.305 175.900 0.215 0.000 1.143 160 Y CA 1.176 59.429 58.100 0.254 0.000 1.289 160 Y CB -1.121 37.503 38.460 0.274 0.000 0.983 160 Y HN 0.289 nan 8.280 nan 0.000 0.556 161 D N -0.860 119.467 120.400 -0.122 0.000 2.340 161 D HA -0.091 4.549 4.640 -0.000 0.000 0.220 161 D C 0.543 176.833 176.300 -0.017 0.000 1.039 161 D CA 0.462 54.442 54.000 -0.033 0.000 0.866 161 D CB -0.225 40.456 40.800 -0.198 0.000 0.913 161 D HN 0.356 nan 8.370 nan 0.000 0.523 162 D N 0.587 120.907 120.400 -0.134 0.000 2.162 162 D HA -0.057 4.583 4.640 -0.000 0.000 0.203 162 D C 1.655 177.880 176.300 -0.124 0.000 0.967 162 D CA 0.577 54.443 54.000 -0.223 0.000 0.840 162 D CB -0.538 39.993 40.800 -0.449 0.000 0.972 162 D HN 0.366 nan 8.370 nan 0.000 0.482 163 W N 1.639 123.052 121.300 0.189 0.000 2.321 163 W HA -0.161 4.499 4.660 -0.000 0.000 0.306 163 W C 1.762 178.416 176.519 0.224 0.000 1.217 163 W CA 0.704 58.205 57.345 0.260 0.000 1.257 163 W CB -0.251 29.430 29.460 0.368 0.000 1.145 163 W HN -0.072 nan 8.180 nan 0.000 0.509 164 D N -0.193 120.423 120.400 0.361 0.000 2.317 164 D HA -0.045 4.595 4.640 -0.000 0.000 0.211 164 D C 0.971 177.366 176.300 0.159 0.000 0.966 164 D CA 0.840 54.978 54.000 0.230 0.000 0.876 164 D CB -0.256 40.651 40.800 0.178 0.000 0.927 164 D HN -0.042 nan 8.370 nan 0.000 0.519 165 K N 1.590 122.068 120.400 0.130 0.000 2.276 165 K HA 0.068 4.388 4.320 -0.000 0.000 0.259 165 K C 0.147 176.807 176.600 0.099 0.000 1.001 165 K CA -0.233 56.105 56.287 0.084 0.000 0.927 165 K CB 0.478 33.001 32.500 0.039 0.000 0.969 165 K HN -0.022 nan 8.250 nan 0.000 0.490 166 D N 0.499 120.946 120.400 0.078 0.000 2.382 166 D HA 0.159 4.799 4.640 -0.000 0.000 0.245 166 D C -0.074 176.278 176.300 0.085 0.000 1.120 166 D CA 0.145 54.195 54.000 0.084 0.000 0.890 166 D CB 0.873 41.712 40.800 0.065 0.000 1.201 166 D HN 0.449 nan 8.370 nan 0.000 0.433 167 A N 1.687 124.570 122.820 0.105 0.000 2.293 167 A HA 0.219 4.539 4.320 -0.000 0.000 0.302 167 A C 0.090 177.722 177.584 0.080 0.000 1.119 167 A CA -0.641 51.458 52.037 0.104 0.000 0.823 167 A CB 0.705 19.792 19.000 0.146 0.000 1.097 167 A HN 0.458 nan 8.150 nan 0.000 0.491 168 D N 1.536 121.973 120.400 0.062 0.000 2.417 168 D HA 0.212 4.852 4.640 -0.000 0.000 0.250 168 D C -1.620 174.710 176.300 0.050 0.000 1.166 168 D CA -1.585 52.441 54.000 0.044 0.000 0.881 168 D CB 1.061 41.874 40.800 0.022 0.000 1.164 168 D HN 0.106 nan 8.370 nan 0.000 0.467 169 P HA -0.146 nan 4.420 nan 0.000 0.217 169 P C 0.993 178.367 177.300 0.123 0.000 1.148 169 P CA 0.971 64.127 63.100 0.094 0.000 0.828 169 P CB 0.236 31.987 31.700 0.085 0.000 0.783 170 Q N -0.911 118.925 119.800 0.060 0.000 2.541 170 Q HA -0.001 4.339 4.340 -0.000 0.000 0.215 170 Q C 1.884 177.785 176.000 -0.165 0.000 0.977 170 Q CA 0.825 56.632 55.803 0.006 0.000 0.934 170 Q CB -0.789 27.966 28.738 0.029 0.000 0.988 170 Q HN 0.282 nan 8.270 nan 0.000 0.521 171 S N 0.425 116.037 115.700 -0.147 0.000 2.447 171 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 171 S C 1.594 175.831 174.600 -0.605 0.000 1.006 171 S CA 0.869 58.921 58.200 -0.247 0.000 0.957 171 S CB -0.339 62.796 63.200 -0.108 0.000 0.773 171 S HN 0.632 nan 8.310 nan 0.000 0.507 172 H N 0.599 119.282 119.070 -0.645 0.000 2.489 172 H HA -0.094 4.462 4.556 -0.000 0.000 0.295 172 H C 1.286 176.167 175.328 -0.746 0.000 1.082 172 H CA 1.445 56.840 56.048 -1.087 0.000 1.295 172 H CB -0.717 28.792 29.762 -0.420 0.000 1.380 172 H HN 0.493 nan 8.280 nan 0.000 0.548 173 H N 0.758 119.291 119.070 -0.894 0.000 2.543 173 H HA 0.021 4.577 4.556 -0.000 0.000 0.286 173 H C 2.328 177.497 175.328 -0.266 0.000 1.037 173 H CA 0.892 56.639 56.048 -0.503 0.000 1.250 173 H CB 0.340 29.829 29.762 -0.456 0.000 1.373 173 H HN 0.423 nan 8.280 nan 0.000 0.580 174 L N -0.840 120.247 121.223 -0.227 0.000 2.162 174 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 174 L C 2.113 179.061 176.870 0.129 0.000 1.086 174 L CA 0.130 54.950 54.840 -0.035 0.000 0.778 174 L CB -0.422 41.625 42.059 -0.019 0.000 0.928 174 L HN 0.015 nan 8.230 nan 0.000 0.446 175 F N 1.030 121.043 119.950 0.105 0.000 2.048 175 F HA -0.324 4.203 4.527 -0.000 0.000 0.296 175 F C 1.778 177.645 175.800 0.112 0.000 1.109 175 F CA 1.305 59.369 58.000 0.108 0.000 1.214 175 F CB -0.885 38.177 39.000 0.104 0.000 0.963 175 F HN 0.193 nan 8.300 nan 0.000 0.491 176 D N -0.232 120.355 120.400 0.311 0.000 2.463 176 D HA 0.071 4.711 4.640 -0.000 0.000 0.224 176 D C 0.296 176.712 176.300 0.193 0.000 1.174 176 D CA -0.079 54.056 54.000 0.226 0.000 0.829 176 D CB -0.035 40.882 40.800 0.194 0.000 0.993 176 D HN 0.162 nan 8.370 nan 0.000 0.497 177 R N 1.093 121.705 120.500 0.186 0.000 2.522 177 R HA 0.060 4.400 4.340 -0.000 0.000 0.284 177 R C 0.248 176.632 176.300 0.139 0.000 1.032 177 R CA 0.279 56.452 56.100 0.122 0.000 1.049 177 R CB 0.590 30.925 30.300 0.058 0.000 0.956 177 R HN 0.147 nan 8.270 nan 0.000 0.422 178 H N 3.275 122.354 119.070 0.016 0.000 2.708 178 H HA 0.258 4.814 4.556 -0.000 0.000 0.320 178 H C -1.297 174.000 175.328 -0.051 0.000 0.991 178 H CA -0.585 55.478 56.048 0.026 0.000 1.243 178 H CB 1.003 30.787 29.762 0.037 0.000 1.446 178 H HN 0.214 nan 8.280 nan 0.000 0.502 179 V N 4.348 124.181 119.914 -0.135 0.000 2.398 179 V HA 0.278 4.398 4.120 -0.000 0.000 0.286 179 V C 0.365 176.466 176.094 0.011 0.000 1.026 179 V CA -0.542 61.704 62.300 -0.090 0.000 0.868 179 V CB 1.469 33.135 31.823 -0.261 0.000 0.982 179 V HN 0.758 nan 8.190 nan 0.000 0.443 180 S N 2.672 118.423 115.700 0.084 0.000 2.513 180 S HA 0.611 5.081 4.470 -0.000 0.000 0.299 180 S C 0.390 175.010 174.600 0.032 0.000 1.087 180 S CA 0.092 58.350 58.200 0.096 0.000 1.012 180 S CB 1.862 65.150 63.200 0.146 0.000 1.044 180 S HN 0.983 nan 8.310 nan 0.000 0.485 181 S N 1.865 117.578 115.700 0.022 0.000 2.937 181 S HA 0.201 4.671 4.470 -0.000 0.000 0.252 181 S C 0.249 174.849 174.600 0.000 0.000 1.022 181 S CA -0.319 57.880 58.200 -0.002 0.000 1.079 181 S CB 0.196 63.384 63.200 -0.019 0.000 1.035 181 S HN 0.547 nan 8.310 nan 0.000 0.594 182 S N 2.815 118.525 115.700 0.017 0.000 4.051 182 S HA 0.407 4.877 4.470 -0.000 0.000 0.215 182 S C 0.304 174.908 174.600 0.006 0.000 1.289 182 S CA -0.199 58.009 58.200 0.014 0.000 0.907 182 S CB -1.313 61.905 63.200 0.029 0.000 1.603 182 S HN 0.712 nan 8.310 nan 0.000 0.453 183 V N 2.561 122.473 119.914 -0.003 0.000 3.019 183 V HA 1.000 5.120 4.120 -0.000 0.000 0.317 183 V C -0.691 175.398 176.094 -0.008 0.000 1.094 183 V CA -1.382 60.914 62.300 -0.006 0.000 1.000 183 V CB 1.906 33.723 31.823 -0.011 0.000 1.060 183 V HN 0.721 nan 8.190 nan 0.000 0.443 184 R N 1.718 122.214 120.500 -0.008 0.000 2.739 184 R HA 0.726 5.066 4.340 -0.000 0.000 0.271 184 R C -1.054 175.241 176.300 -0.008 0.000 1.010 184 R CA -0.959 55.136 56.100 -0.007 0.000 0.897 184 R CB 0.622 30.920 30.300 -0.004 0.000 1.236 184 R HN 0.868 nan 8.270 nan 0.000 0.466 185 L N 2.099 123.317 121.223 -0.008 0.000 2.573 185 L HA 0.084 4.424 4.340 -0.000 0.000 0.290 185 L C -0.355 176.511 176.870 -0.006 0.000 1.247 185 L CA 0.695 55.530 54.840 -0.008 0.000 0.876 185 L CB -0.170 41.884 42.059 -0.007 0.000 1.123 185 L HN 0.939 nan 8.230 nan 0.000 0.505 186 N N 1.998 120.694 118.700 -0.006 0.000 2.344 186 N HA -0.032 4.708 4.740 -0.000 0.000 0.236 186 N C 0.456 175.964 175.510 -0.004 0.000 1.279 186 N CA 0.098 53.145 53.050 -0.005 0.000 0.882 186 N CB 0.243 38.726 38.487 -0.006 0.000 1.110 186 N HN 0.602 nan 8.380 nan 0.000 0.436 187 D N -0.091 120.307 120.400 -0.003 0.000 2.127 187 D HA -0.286 4.354 4.640 -0.000 0.000 0.190 187 D C 1.572 177.871 176.300 -0.001 0.000 1.000 187 D CA 1.640 55.639 54.000 -0.002 0.000 0.839 187 D CB -0.502 40.297 40.800 -0.002 0.000 0.955 187 D HN 0.831 nan 8.370 nan 0.000 0.446 188 Q N 0.333 120.132 119.800 -0.002 0.000 2.045 188 Q HA -0.202 4.138 4.340 -0.000 0.000 0.206 188 Q C 1.328 177.327 176.000 -0.002 0.000 0.991 188 Q CA 1.880 57.682 55.803 -0.002 0.000 0.851 188 Q CB 0.029 28.766 28.738 -0.002 0.000 0.911 188 Q HN 0.155 nan 8.270 nan 0.000 0.418 189 D N 0.251 120.649 120.400 -0.003 0.000 2.178 189 D HA -0.123 4.516 4.640 -0.000 0.000 0.202 189 D C 1.850 178.148 176.300 -0.002 0.000 0.974 189 D CA 0.499 54.497 54.000 -0.003 0.000 0.841 189 D CB -0.143 40.654 40.800 -0.005 0.000 0.953 189 D HN 0.230 nan 8.370 nan 0.000 0.478 190 L N 1.128 122.350 121.223 -0.002 0.000 2.056 190 L HA -0.121 4.218 4.340 -0.000 0.000 0.207 190 L C 1.376 178.247 176.870 0.001 0.000 1.078 190 L CA 1.774 56.614 54.840 -0.001 0.000 0.749 190 L CB -0.433 41.626 42.059 -0.000 0.000 0.901 190 L HN -0.153 nan 8.230 nan 0.000 0.433 191 D N -0.324 120.077 120.400 0.001 0.000 2.144 191 D HA -0.175 4.465 4.640 -0.000 0.000 0.199 191 D C 2.344 178.646 176.300 0.003 0.000 0.984 191 D CA 1.702 55.703 54.000 0.003 0.000 0.834 191 D CB -0.056 40.745 40.800 0.002 0.000 0.955 191 D HN 0.434 nan 8.370 nan 0.000 0.465 192 I N 0.583 121.154 120.570 0.002 0.000 2.208 192 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 192 I C 2.396 178.515 176.117 0.003 0.000 1.097 192 I CA 0.513 61.814 61.300 0.002 0.000 1.363 192 I CB -0.152 37.849 38.000 0.000 0.000 1.051 192 I HN 0.023 nan 8.210 nan 0.000 0.413 193 L N 0.674 121.899 121.223 0.002 0.000 1.994 193 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 193 L C 2.438 179.311 176.870 0.006 0.000 1.071 193 L CA 1.803 56.645 54.840 0.003 0.000 0.745 193 L CB -0.618 41.442 42.059 0.001 0.000 0.892 193 L HN -0.034 nan 8.230 nan 0.000 0.431 194 V N 0.055 119.972 119.914 0.006 0.000 2.332 194 V HA -0.344 3.775 4.120 -0.000 0.000 0.248 194 V C 2.638 178.738 176.094 0.010 0.000 1.055 194 V CA 2.232 64.538 62.300 0.009 0.000 1.038 194 V CB -0.829 30.999 31.823 0.008 0.000 0.651 194 V HN 0.478 nan 8.190 nan 0.000 0.450 195 K N 0.136 120.541 120.400 0.008 0.000 2.057 195 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 195 K C 2.335 178.942 176.600 0.011 0.000 1.049 195 K CA 1.454 57.747 56.287 0.009 0.000 0.931 195 K CB -0.433 32.072 32.500 0.007 0.000 0.714 195 K HN 0.490 nan 8.250 nan 0.000 0.440 196 A N 1.518 124.344 122.820 0.010 0.000 1.902 196 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 196 A C 2.125 179.719 177.584 0.016 0.000 1.181 196 A CA 1.283 53.327 52.037 0.012 0.000 0.623 196 A CB -0.617 18.389 19.000 0.010 0.000 0.818 196 A HN 0.154 nan 8.150 nan 0.000 0.443 197 L N -0.469 120.763 121.223 0.016 0.000 2.056 197 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 197 L C 2.188 179.071 176.870 0.021 0.000 1.078 197 L CA 1.161 56.012 54.840 0.020 0.000 0.749 197 L CB -0.665 41.404 42.059 0.017 0.000 0.901 197 L HN 0.336 nan 8.230 nan 0.000 0.433 198 N N -0.368 118.343 118.700 0.018 0.000 2.223 198 N HA -0.121 4.619 4.740 -0.000 0.000 0.185 198 N C 1.922 177.443 175.510 0.019 0.000 1.016 198 N CA 1.281 54.342 53.050 0.018 0.000 0.863 198 N CB -0.113 38.383 38.487 0.015 0.000 0.983 198 N HN 0.179 nan 8.380 nan 0.000 0.429 199 S N 0.138 115.848 115.700 0.018 0.000 2.501 199 S HA 0.209 4.679 4.470 -0.000 0.000 0.220 199 S C 0.859 175.472 174.600 0.021 0.000 0.997 199 S CA -0.197 58.013 58.200 0.017 0.000 0.919 199 S CB 0.033 63.242 63.200 0.014 0.000 0.778 199 S HN 0.427 nan 8.310 nan 0.000 0.523 200 A N 2.221 125.057 122.820 0.026 0.000 2.566 200 A HA 0.233 4.553 4.320 -0.000 0.000 0.245 200 A C 1.403 179.009 177.584 0.036 0.000 1.056 200 A CA 0.283 52.341 52.037 0.035 0.000 0.757 200 A CB 0.089 19.115 19.000 0.044 0.000 0.979 200 A HN 0.439 nan 8.150 nan 0.000 0.508 201 S N 1.473 117.193 115.700 0.034 0.000 2.446 201 S HA -0.009 4.461 4.470 -0.000 0.000 0.225 201 S C 0.719 175.341 174.600 0.037 0.000 1.016 201 S CA 0.890 59.106 58.200 0.027 0.000 0.943 201 S CB -0.114 63.095 63.200 0.015 0.000 0.786 201 S HN 0.830 nan 8.310 nan 0.000 0.508 202 N N 1.898 120.634 118.700 0.059 0.000 2.697 202 N HA 0.348 5.088 4.740 -0.000 0.000 0.253 202 N C -3.211 172.442 175.510 0.238 0.000 1.604 202 N CA -1.697 51.413 53.050 0.101 0.000 0.772 202 N CB 1.282 39.770 38.487 0.001 0.000 1.267 202 N HN 0.126 nan 8.380 nan 0.000 0.510 203 P HA 0.330 nan 4.420 nan 0.000 0.272 203 P C -1.002 176.358 177.300 0.099 0.000 1.230 203 P CA -0.279 62.902 63.100 0.135 0.000 0.788 203 P CB 1.424 33.165 31.700 0.068 0.000 0.949 204 A N 2.138 124.936 122.820 -0.038 0.000 2.515 204 A HA 0.727 5.047 4.320 -0.000 0.000 0.298 204 A C -0.836 176.705 177.584 -0.071 0.000 1.059 204 A CA -0.768 51.154 52.037 -0.191 0.000 0.698 204 A CB 1.112 19.784 19.000 -0.545 0.000 1.289 204 A HN 0.428 nan 8.150 nan 0.000 0.404 205 I N 1.611 122.148 120.570 -0.055 0.000 2.465 205 I HA 0.508 4.678 4.170 -0.000 0.000 0.291 205 I C -0.944 175.170 176.117 -0.004 0.000 1.014 205 I CA -0.999 60.274 61.300 -0.044 0.000 1.093 205 I CB 2.142 40.080 38.000 -0.104 0.000 1.267 205 I HN 0.316 nan 8.210 nan 0.000 0.431 206 V N 7.096 127.020 119.914 0.017 0.000 2.444 206 V HA 0.465 4.585 4.120 -0.000 0.000 0.294 206 V C -0.163 175.948 176.094 0.028 0.000 1.022 206 V CA -0.507 61.815 62.300 0.036 0.000 0.850 206 V CB 1.808 33.668 31.823 0.062 0.000 0.992 206 V HN 0.472 nan 8.190 nan 0.000 0.426 207 L N 4.031 125.260 121.223 0.010 0.000 2.325 207 L HA 0.870 5.210 4.340 -0.000 0.000 0.278 207 L C 0.770 177.674 176.870 0.057 0.000 1.023 207 L CA -0.300 54.562 54.840 0.036 0.000 0.811 207 L CB 1.873 43.956 42.059 0.040 0.000 1.249 207 L HN 0.743 nan 8.230 nan 0.000 0.431 208 G N 0.865 109.709 108.800 0.073 0.000 2.667 208 G HA2 0.501 4.461 3.960 -0.000 0.000 0.310 208 G HA3 0.501 4.461 3.960 -0.000 0.000 0.310 208 G C -1.997 172.966 174.900 0.105 0.000 1.259 208 G CA -1.009 44.140 45.100 0.082 0.000 1.019 208 G HN 0.419 nan 8.290 nan 0.000 0.496 209 P HA -0.121 nan 4.420 nan 0.000 0.216 209 P C 0.672 178.050 177.300 0.129 0.000 1.150 209 P CA 1.171 64.353 63.100 0.136 0.000 0.837 209 P CB 0.244 32.024 31.700 0.133 0.000 0.786 210 D N -0.345 120.131 120.400 0.128 0.000 2.309 210 D HA -0.077 4.563 4.640 -0.000 0.000 0.212 210 D C 2.032 178.381 176.300 0.081 0.000 0.968 210 D CA 0.664 54.732 54.000 0.113 0.000 0.882 210 D CB -0.284 40.576 40.800 0.100 0.000 0.918 210 D HN 0.092 nan 8.370 nan 0.000 0.503 211 V N 1.076 121.041 119.914 0.085 0.000 2.307 211 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 211 V C 2.203 178.344 176.094 0.078 0.000 1.045 211 V CA 1.849 64.196 62.300 0.078 0.000 1.024 211 V CB -0.357 31.523 31.823 0.094 0.000 0.651 211 V HN 0.069 nan 8.190 nan 0.000 0.449 212 D N 0.058 120.512 120.400 0.091 0.000 2.144 212 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 212 D C 2.086 178.435 176.300 0.082 0.000 0.978 212 D CA 1.354 55.401 54.000 0.079 0.000 0.833 212 D CB -0.109 40.736 40.800 0.075 0.000 0.961 212 D HN 0.364 nan 8.370 nan 0.000 0.470 213 A N 0.298 123.176 122.820 0.096 0.000 1.933 213 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 213 A C 2.229 179.851 177.584 0.064 0.000 1.175 213 A CA 1.876 53.970 52.037 0.096 0.000 0.628 213 A CB -0.768 18.294 19.000 0.103 0.000 0.814 213 A HN 0.300 nan 8.150 nan 0.000 0.444 214 A N -1.253 121.598 122.820 0.052 0.000 2.251 214 A HA 0.259 4.579 4.320 -0.000 0.000 0.209 214 A C 0.909 178.513 177.584 0.034 0.000 1.187 214 A CA 0.794 52.852 52.037 0.036 0.000 0.823 214 A CB -0.636 18.381 19.000 0.027 0.000 0.846 214 A HN 0.818 nan 8.150 nan 0.000 0.486 215 N N -2.113 116.611 118.700 0.040 0.000 2.727 215 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 215 N C 0.412 175.938 175.510 0.026 0.000 1.048 215 N CA 1.006 54.074 53.050 0.031 0.000 0.714 215 N CB -1.329 37.172 38.487 0.023 0.000 0.959 215 N HN 0.548 nan 8.380 nan 0.000 0.544 216 A N -0.650 122.192 122.820 0.036 0.000 2.379 216 A HA 0.218 4.538 4.320 -0.000 0.000 0.236 216 A C 1.631 179.243 177.584 0.045 0.000 1.272 216 A CA 0.409 52.468 52.037 0.037 0.000 0.886 216 A CB -0.068 18.957 19.000 0.042 0.000 0.962 216 A HN 0.533 nan 8.150 nan 0.000 0.504 217 N N 1.882 120.604 118.700 0.037 0.000 2.018 217 N HA -0.209 4.531 4.740 -0.000 0.000 0.196 217 N C 1.905 177.404 175.510 -0.019 0.000 1.043 217 N CA 2.037 55.102 53.050 0.026 0.000 0.856 217 N CB -0.521 37.956 38.487 -0.017 0.000 1.042 217 N HN 0.449 nan 8.380 nan 0.000 0.423 218 A N 1.203 124.002 122.820 -0.035 0.000 1.873 218 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 218 A C 1.775 179.352 177.584 -0.012 0.000 1.193 218 A CA 2.044 54.053 52.037 -0.047 0.000 0.629 218 A CB -0.813 18.169 19.000 -0.030 0.000 0.826 218 A HN 0.204 nan 8.150 nan 0.000 0.447 219 D N -0.670 119.738 120.400 0.014 0.000 2.182 219 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 219 D C 1.996 178.331 176.300 0.058 0.000 0.986 219 D CA 1.357 55.375 54.000 0.030 0.000 0.847 219 D CB -0.538 40.279 40.800 0.029 0.000 0.942 219 D HN 0.465 nan 8.370 nan 0.000 0.467 220 C N 0.050 119.405 119.300 0.091 0.000 2.457 220 C HA -0.032 4.428 4.460 -0.000 0.000 0.278 220 C C 2.907 178.059 174.990 0.270 0.000 1.309 220 C CA -0.020 59.099 59.018 0.168 0.000 1.735 220 C CB -0.691 27.187 27.740 0.229 0.000 1.992 220 C HN 0.167 nan 8.230 nan 0.000 0.493 221 V N 1.012 121.022 119.914 0.159 0.000 2.295 221 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 221 V C 2.389 178.527 176.094 0.073 0.000 1.049 221 V CA 2.453 64.758 62.300 0.007 0.000 1.024 221 V CB -0.673 30.977 31.823 -0.288 0.000 0.648 221 V HN 0.622 nan 8.190 nan 0.000 0.447 222 M N -0.288 119.345 119.600 0.055 0.000 2.065 222 M HA -0.196 4.284 4.480 -0.000 0.000 0.259 222 M C 2.066 178.408 176.300 0.070 0.000 1.069 222 M CA 2.126 57.461 55.300 0.060 0.000 1.110 222 M CB -0.425 32.199 32.600 0.039 0.000 1.328 222 M HN 0.291 nan 8.290 nan 0.000 0.405 223 L N 0.873 122.137 121.223 0.068 0.000 2.043 223 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 223 L C 2.430 179.334 176.870 0.057 0.000 1.075 223 L CA 2.428 57.302 54.840 0.056 0.000 0.752 223 L CB -1.184 40.905 42.059 0.049 0.000 0.891 223 L HN 0.431 nan 8.230 nan 0.000 0.432 224 A N -0.981 121.885 122.820 0.076 0.000 1.933 224 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 224 A C 2.135 179.771 177.584 0.087 0.000 1.175 224 A CA 1.743 53.812 52.037 0.053 0.000 0.628 224 A CB -0.582 18.444 19.000 0.044 0.000 0.814 224 A HN 0.650 nan 8.150 nan 0.000 0.444 225 E N -0.535 119.738 120.200 0.122 0.000 2.107 225 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 225 E C 2.263 178.915 176.600 0.086 0.000 0.982 225 E CA 0.699 57.182 56.400 0.137 0.000 0.809 225 E CB -0.137 29.659 29.700 0.161 0.000 0.756 225 E HN 0.423 nan 8.360 nan 0.000 0.459 226 R N 0.743 121.284 120.500 0.067 0.000 2.066 226 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 226 R C 2.338 178.664 176.300 0.045 0.000 1.131 226 R CA 0.924 57.053 56.100 0.049 0.000 0.955 226 R CB -0.714 29.610 30.300 0.041 0.000 0.851 226 R HN 0.246 nan 8.270 nan 0.000 0.432 227 L N 1.476 122.725 121.223 0.044 0.000 2.552 227 L HA 0.036 4.376 4.340 -0.000 0.000 0.227 227 L C 0.137 177.033 176.870 0.045 0.000 1.146 227 L CA 0.166 55.029 54.840 0.039 0.000 0.858 227 L CB -0.223 41.855 42.059 0.032 0.000 0.969 227 L HN 0.057 nan 8.230 nan 0.000 0.451 228 K N -0.108 120.324 120.400 0.054 0.000 3.148 228 K HA -0.182 4.138 4.320 -0.000 0.000 0.267 228 K C -0.027 176.604 176.600 0.052 0.000 0.996 228 K CA 0.875 57.198 56.287 0.059 0.000 0.737 228 K CB -1.876 30.654 32.500 0.050 0.000 1.308 228 K HN 0.366 nan 8.250 nan 0.000 0.470 229 A N 0.919 123.761 122.820 0.036 0.000 2.337 229 A HA 0.736 5.056 4.320 -0.000 0.000 0.331 229 A C -2.224 175.329 177.584 -0.051 0.000 1.137 229 A CA -1.476 50.567 52.037 0.010 0.000 0.807 229 A CB 1.253 20.252 19.000 -0.002 0.000 1.250 229 A HN -0.008 nan 8.150 nan 0.000 0.468 230 P HA 0.344 nan 4.420 nan 0.000 0.275 230 P C -0.821 176.262 177.300 -0.362 0.000 1.228 230 P CA -0.030 62.924 63.100 -0.243 0.000 0.786 230 P CB 1.136 32.695 31.700 -0.236 0.000 0.927 231 V N 2.845 122.423 119.914 -0.560 0.000 2.487 231 V HA 0.376 4.495 4.120 -0.000 0.000 0.298 231 V C -0.575 175.098 176.094 -0.702 0.000 1.028 231 V CA -0.276 61.673 62.300 -0.586 0.000 0.860 231 V CB 1.297 32.553 31.823 -0.944 0.000 0.991 231 V HN 0.596 nan 8.190 nan 0.000 0.427 232 W N 2.543 123.609 121.300 -0.390 0.000 2.719 232 W HA 0.757 5.417 4.660 -0.000 0.000 0.352 232 W C -0.566 175.772 176.519 -0.302 0.000 1.085 232 W CA -0.906 56.183 57.345 -0.427 0.000 1.187 232 W CB 1.540 30.764 29.460 -0.394 0.000 1.417 232 W HN 0.275 nan 8.180 nan 0.000 0.557 233 V N 2.853 122.721 119.914 -0.077 0.000 2.394 233 V HA 0.583 4.703 4.120 -0.000 0.000 0.282 233 V C 0.552 176.533 176.094 -0.188 0.000 1.031 233 V CA -1.268 60.963 62.300 -0.114 0.000 0.881 233 V CB 0.435 32.081 31.823 -0.296 0.000 0.982 233 V HN 0.691 nan 8.190 nan 0.000 0.451 234 A N 8.499 131.249 122.820 -0.117 0.000 2.555 234 A HA 0.361 4.681 4.320 -0.000 0.000 0.233 234 A C -1.798 175.670 177.584 -0.193 0.000 1.060 234 A CA -0.632 51.318 52.037 -0.146 0.000 0.759 234 A CB -0.423 18.578 19.000 0.000 0.000 0.995 234 A HN 0.705 nan 8.150 nan 0.000 0.506 235 P HA 0.040 nan 4.420 nan 0.000 0.268 235 P C 0.025 177.277 177.300 -0.080 0.000 1.208 235 P CA 0.706 63.696 63.100 -0.184 0.000 0.777 235 P CB 0.503 32.103 31.700 -0.167 0.000 0.875 236 S N -1.394 114.270 115.700 -0.060 0.000 3.635 236 S HA -0.179 4.291 4.470 -0.000 0.000 0.328 236 S C 0.664 175.320 174.600 0.094 0.000 1.135 236 S CA 0.697 58.922 58.200 0.041 0.000 0.942 236 S CB -2.202 61.077 63.200 0.131 0.000 0.930 236 S HN 0.973 nan 8.310 nan 0.000 0.512 237 A N 0.775 123.605 122.820 0.016 0.000 2.563 237 A HA 0.305 4.624 4.320 -0.000 0.000 0.256 237 A C -0.602 177.247 177.584 0.441 0.000 1.056 237 A CA -0.163 51.977 52.037 0.172 0.000 0.775 237 A CB 0.067 19.118 19.000 0.085 0.000 0.973 237 A HN 0.322 nan 8.150 nan 0.000 0.516 238 P HA 0.073 nan 4.420 nan 0.000 0.235 238 P C 0.208 177.737 177.300 0.382 0.000 1.177 238 P CA 0.790 64.119 63.100 0.382 0.000 0.785 238 P CB 0.366 32.178 31.700 0.188 0.000 0.885 239 R N -2.687 118.049 120.500 0.394 0.000 2.781 239 R HA 0.541 4.881 4.340 -0.000 0.000 0.269 239 R C -1.449 175.101 176.300 0.416 0.000 1.025 239 R CA -0.801 55.476 56.100 0.294 0.000 0.914 239 R CB 1.071 31.436 30.300 0.109 0.000 1.236 239 R HN -0.152 nan 8.270 nan 0.000 0.465 240 C N 2.980 122.442 119.300 0.270 0.000 2.264 240 C HA 0.520 4.980 4.460 -0.000 0.000 0.324 240 C C -1.678 173.413 174.990 0.168 0.000 1.267 240 C CA -1.872 57.319 59.018 0.288 0.000 1.618 240 C CB 0.648 28.405 27.740 0.028 0.000 2.278 240 C HN 0.626 nan 8.230 nan 0.000 0.499 241 P HA 0.220 nan 4.420 nan 0.000 0.268 241 P C -0.330 177.118 177.300 0.245 0.000 1.329 241 P CA 0.232 63.440 63.100 0.179 0.000 0.899 241 P CB 0.123 31.929 31.700 0.177 0.000 1.378 242 F N 1.771 121.692 119.950 -0.048 0.000 2.665 242 F HA 0.449 4.975 4.527 -0.000 0.000 0.308 242 F C -2.603 173.020 175.800 -0.296 0.000 1.112 242 F CA -2.312 55.605 58.000 -0.139 0.000 0.972 242 F CB 2.175 41.127 39.000 -0.080 0.000 1.295 242 F HN -0.332 nan 8.300 nan 0.000 0.440 243 P HA 0.070 nan 4.420 nan 0.000 0.270 243 P C 0.469 177.519 177.300 -0.417 0.000 1.242 243 P CA 0.152 63.033 63.100 -0.364 0.000 0.768 243 P CB 0.752 32.259 31.700 -0.323 0.000 0.820 244 T N 0.901 115.141 114.554 -0.524 0.000 3.139 244 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 244 T C 1.126 175.759 174.700 -0.111 0.000 1.164 244 T CA 0.693 62.365 62.100 -0.714 0.000 1.075 244 T CB -0.356 68.299 68.868 -0.356 0.000 0.904 244 T HN 0.243 nan 8.240 nan 0.000 0.540 245 R N 0.239 120.712 120.500 -0.044 0.000 2.535 245 R HA 0.205 4.545 4.340 -0.000 0.000 0.323 245 R C 0.232 176.584 176.300 0.087 0.000 0.979 245 R CA -0.358 55.774 56.100 0.054 0.000 1.120 245 R CB -0.308 29.993 30.300 0.002 0.000 1.306 245 R HN 0.593 nan 8.270 nan 0.000 0.540 246 H N 3.382 122.470 119.070 0.031 0.000 2.815 246 H HA 0.068 4.624 4.556 -0.000 0.000 0.350 246 H C -1.379 174.033 175.328 0.139 0.000 1.080 246 H CA -1.236 54.845 56.048 0.055 0.000 1.433 246 H CB 1.604 31.381 29.762 0.024 0.000 1.432 246 H HN -0.129 nan 8.280 nan 0.000 0.592 247 P HA -0.177 nan 4.420 nan 0.000 0.217 247 P C 1.376 178.815 177.300 0.232 0.000 1.148 247 P CA 1.247 64.377 63.100 0.050 0.000 0.834 247 P CB -0.057 31.587 31.700 -0.094 0.000 0.783 248 C N -2.288 117.362 119.300 0.583 0.000 2.464 248 C HA 0.126 4.586 4.460 -0.000 0.000 0.278 248 C C 1.481 176.516 174.990 0.075 0.000 1.375 248 C CA -0.623 58.559 59.018 0.273 0.000 1.761 248 C CB -1.896 25.979 27.740 0.224 0.000 1.944 248 C HN 0.107 nan 8.230 nan 0.000 0.509 249 F N 2.320 122.320 119.950 0.083 0.000 2.623 249 F HA 0.087 4.614 4.527 -0.000 0.000 0.383 249 F C 1.286 176.903 175.800 -0.305 0.000 1.077 249 F CA 0.539 58.474 58.000 -0.108 0.000 1.268 249 F CB 0.444 39.520 39.000 0.126 0.000 1.053 249 F HN 0.047 nan 8.300 nan 0.000 0.571 250 R N 3.889 123.627 120.500 -1.270 0.000 2.565 250 R HA 0.302 4.642 4.340 -0.000 0.000 0.347 250 R C 0.640 176.146 176.300 -1.324 0.000 1.010 250 R CA 0.348 55.617 56.100 -1.385 0.000 1.126 250 R CB -0.019 28.946 30.300 -2.224 0.000 1.331 250 R HN 0.971 nan 8.270 nan 0.000 0.552 251 G N 1.336 109.019 108.800 -1.861 0.000 2.725 251 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 251 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 251 G C -0.875 173.650 174.900 -0.624 0.000 1.357 251 G CA -0.475 43.980 45.100 -1.074 0.000 0.866 251 G HN 0.207 nan 8.290 nan 0.000 0.548 252 L N 0.715 121.638 121.223 -0.500 0.000 2.319 252 L HA 0.692 5.032 4.340 -0.000 0.000 0.280 252 L C 1.074 177.743 176.870 -0.336 0.000 1.099 252 L CA -0.197 54.267 54.840 -0.627 0.000 0.828 252 L CB 0.559 41.981 42.059 -1.061 0.000 1.150 252 L HN 0.600 nan 8.230 nan 0.000 0.442 253 M N 7.876 127.295 119.600 -0.301 0.000 2.228 253 M HA 0.277 4.757 4.480 -0.000 0.000 0.351 253 M C -1.992 174.141 176.300 -0.278 0.000 1.233 253 M CA -1.534 53.580 55.300 -0.310 0.000 1.129 253 M CB 0.510 32.839 32.600 -0.451 0.000 1.604 253 M HN 0.489 nan 8.290 nan 0.000 0.457 254 P HA 0.086 nan 4.420 nan 0.000 0.271 254 P C -0.679 176.565 177.300 -0.093 0.000 1.216 254 P CA -0.184 62.824 63.100 -0.154 0.000 0.776 254 P CB 0.549 32.172 31.700 -0.128 0.000 0.881 255 A N 2.994 125.809 122.820 -0.008 0.000 2.900 255 A HA 0.420 4.740 4.320 -0.000 0.000 0.246 255 A C 0.934 178.674 177.584 0.260 0.000 1.725 255 A CA 0.128 52.248 52.037 0.138 0.000 1.400 255 A CB -1.423 17.713 19.000 0.227 0.000 0.973 255 A HN 0.640 nan 8.150 nan 0.000 0.635 256 G N -0.784 108.125 108.800 0.182 0.000 2.566 256 G HA2 0.489 4.449 3.960 -0.000 0.000 0.311 256 G HA3 0.489 4.449 3.960 -0.000 0.000 0.311 256 G C 0.649 175.550 174.900 0.002 0.000 1.322 256 G CA -0.644 44.502 45.100 0.077 0.000 0.969 256 G HN 0.181 nan 8.290 nan 0.000 0.490 257 I N 1.653 122.004 120.570 -0.364 0.000 2.099 257 I HA -0.261 3.909 4.170 -0.000 0.000 0.239 257 I C 3.084 179.102 176.117 -0.166 0.000 1.066 257 I CA 1.870 62.902 61.300 -0.446 0.000 1.324 257 I CB -0.131 37.477 38.000 -0.654 0.000 1.037 257 I HN 0.558 nan 8.210 nan 0.000 0.401 258 A N 0.717 123.413 122.820 -0.207 0.000 1.877 258 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 258 A C 2.559 180.072 177.584 -0.120 0.000 1.186 258 A CA 1.987 53.930 52.037 -0.157 0.000 0.620 258 A CB -1.016 17.881 19.000 -0.172 0.000 0.822 258 A HN 0.457 nan 8.150 nan 0.000 0.443 259 A N -0.143 122.607 122.820 -0.118 0.000 1.917 259 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 259 A C 2.149 179.627 177.584 -0.176 0.000 1.182 259 A CA 1.784 53.744 52.037 -0.128 0.000 0.633 259 A CB -0.632 18.300 19.000 -0.113 0.000 0.819 259 A HN 0.531 nan 8.150 nan 0.000 0.448 260 I N 0.344 120.819 120.570 -0.158 0.000 2.286 260 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 260 I C 2.815 178.820 176.117 -0.187 0.000 1.104 260 I CA 1.432 62.580 61.300 -0.253 0.000 1.397 260 I CB -0.282 37.569 38.000 -0.248 0.000 1.072 260 I HN 0.516 nan 8.210 nan 0.000 0.417 261 S N 0.187 115.848 115.700 -0.066 0.000 2.423 261 S HA -0.248 4.222 4.470 -0.000 0.000 0.231 261 S C 1.900 176.460 174.600 -0.065 0.000 1.014 261 S CA 1.002 59.187 58.200 -0.025 0.000 0.965 261 S CB -0.319 62.887 63.200 0.010 0.000 0.785 261 S HN 0.344 nan 8.310 nan 0.000 0.495 262 Q N 1.058 120.799 119.800 -0.099 0.000 2.046 262 Q HA 0.108 4.448 4.340 -0.000 0.000 0.200 262 Q C 1.968 177.902 176.000 -0.110 0.000 0.975 262 Q CA 1.184 56.932 55.803 -0.092 0.000 0.836 262 Q CB -0.790 27.890 28.738 -0.097 0.000 0.896 262 Q HN 0.461 nan 8.270 nan 0.000 0.428 263 L N -0.191 120.906 121.223 -0.209 0.000 2.042 263 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 263 L C 1.980 178.733 176.870 -0.195 0.000 1.076 263 L CA 1.621 56.271 54.840 -0.318 0.000 0.749 263 L CB -0.569 41.050 42.059 -0.733 0.000 0.893 263 L HN 0.309 nan 8.230 nan 0.000 0.432 264 L N -1.054 120.063 121.223 -0.177 0.000 2.554 264 L HA -0.021 4.319 4.340 -0.000 0.000 0.226 264 L C 1.005 177.954 176.870 0.130 0.000 1.137 264 L CA -0.167 54.670 54.840 -0.006 0.000 0.863 264 L CB -0.399 41.624 42.059 -0.060 0.000 0.985 264 L HN 0.261 nan 8.230 nan 0.000 0.451 265 E N 0.531 120.758 120.200 0.044 0.000 2.452 265 E HA 0.106 4.456 4.350 -0.000 0.000 0.261 265 E C 1.130 177.722 176.600 -0.015 0.000 0.987 265 E CA 0.850 57.261 56.400 0.018 0.000 0.926 265 E CB 0.389 30.081 29.700 -0.013 0.000 0.934 265 E HN 0.299 nan 8.360 nan 0.000 0.452 266 G N 4.085 112.856 108.800 -0.049 0.000 2.234 266 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.235 266 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.235 266 G C -0.113 174.648 174.900 -0.231 0.000 0.997 266 G CA 0.054 45.064 45.100 -0.149 0.000 0.623 266 G HN 0.711 nan 8.290 nan 0.000 0.514 267 H N 1.858 120.937 119.070 0.016 0.000 2.594 267 H HA 0.260 4.816 4.556 -0.000 0.000 0.304 267 H C 1.202 176.542 175.328 0.020 0.000 1.068 267 H CA 0.256 56.319 56.048 0.024 0.000 1.308 267 H CB 1.433 31.216 29.762 0.035 0.000 1.409 267 H HN 0.473 nan 8.280 nan 0.000 0.460 268 D N 2.457 122.919 120.400 0.103 0.000 2.144 268 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 268 D C 0.488 176.831 176.300 0.072 0.000 0.978 268 D CA 0.593 54.632 54.000 0.066 0.000 0.833 268 D CB 0.357 41.181 40.800 0.041 0.000 0.961 268 D HN 0.111 nan 8.370 nan 0.000 0.470 269 V N 1.125 121.091 119.914 0.088 0.000 2.525 269 V HA 0.297 4.417 4.120 -0.000 0.000 0.299 269 V C -0.489 175.643 176.094 0.062 0.000 1.034 269 V CA -0.976 61.361 62.300 0.063 0.000 0.863 269 V CB 2.487 34.337 31.823 0.046 0.000 0.999 269 V HN -0.067 nan 8.190 nan 0.000 0.423 270 V N 6.097 126.039 119.914 0.047 0.000 2.357 270 V HA 0.449 4.568 4.120 -0.000 0.000 0.284 270 V C -0.389 175.720 176.094 0.025 0.000 1.018 270 V CA -0.565 61.754 62.300 0.032 0.000 0.841 270 V CB 1.611 33.462 31.823 0.048 0.000 0.991 270 V HN 0.656 nan 8.190 nan 0.000 0.437 271 L N 7.496 128.728 121.223 0.016 0.000 2.265 271 L HA 0.614 4.954 4.340 -0.000 0.000 0.289 271 L C -0.347 176.534 176.870 0.020 0.000 1.033 271 L CA 0.214 55.061 54.840 0.012 0.000 0.814 271 L CB 1.417 43.480 42.059 0.006 0.000 1.203 271 L HN 0.440 nan 8.230 nan 0.000 0.423 272 V N 6.899 126.826 119.914 0.021 0.000 2.398 272 V HA 0.497 4.617 4.120 -0.000 0.000 0.286 272 V C 0.146 176.251 176.094 0.018 0.000 1.026 272 V CA -0.419 61.905 62.300 0.040 0.000 0.868 272 V CB 1.413 33.264 31.823 0.047 0.000 0.982 272 V HN 0.599 nan 8.190 nan 0.000 0.443 273 I N 3.246 123.833 120.570 0.028 0.000 2.436 273 I HA 0.586 4.756 4.170 -0.000 0.000 0.289 273 I C 1.010 177.149 176.117 0.037 0.000 1.010 273 I CA -0.576 60.738 61.300 0.024 0.000 1.098 273 I CB 1.830 39.845 38.000 0.026 0.000 1.266 273 I HN 0.828 nan 8.210 nan 0.000 0.434 274 G N 4.532 113.350 108.800 0.030 0.000 2.323 274 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.292 274 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.292 274 G C -0.062 174.878 174.900 0.067 0.000 1.040 274 G CA 0.429 45.557 45.100 0.046 0.000 0.942 274 G HN 1.090 nan 8.290 nan 0.000 0.506 275 A N -0.923 121.929 122.820 0.053 0.000 2.606 275 A HA 0.922 5.242 4.320 -0.000 0.000 0.293 275 A C -2.967 174.631 177.584 0.023 0.000 1.082 275 A CA -1.326 50.747 52.037 0.060 0.000 0.685 275 A CB 1.734 20.785 19.000 0.084 0.000 1.284 275 A HN 0.098 nan 8.150 nan 0.000 0.408 276 P HA 0.402 nan 4.420 nan 0.000 0.277 276 P C -0.768 176.459 177.300 -0.122 0.000 1.240 276 P CA -0.241 62.834 63.100 -0.043 0.000 0.798 276 P CB 1.056 32.741 31.700 -0.025 0.000 0.979 277 V N 3.987 123.721 119.914 -0.301 0.000 2.259 277 V HA 0.393 4.513 4.120 -0.000 0.000 0.267 277 V C -0.431 175.328 176.094 -0.559 0.000 1.051 277 V CA 0.063 61.903 62.300 -0.767 0.000 0.830 277 V CB -1.193 30.141 31.823 -0.816 0.000 1.080 277 V HN 0.464 nan 8.190 nan 0.000 0.467 278 F N 2.020 121.722 119.950 -0.414 0.000 2.599 278 F HA 0.558 5.085 4.527 -0.000 0.000 0.311 278 F C 0.460 175.900 175.800 -0.600 0.000 1.076 278 F CA -1.307 56.355 58.000 -0.564 0.000 0.937 278 F CB 2.188 40.679 39.000 -0.847 0.000 1.282 278 F HN 0.149 nan 8.300 nan 0.000 0.460 279 R N 2.419 122.845 120.500 -0.124 0.000 3.688 279 R HA 0.192 4.532 4.340 -0.000 0.000 0.194 279 R C -1.265 175.027 176.300 -0.014 0.000 1.677 279 R CA 0.028 56.096 56.100 -0.054 0.000 1.351 279 R CB -1.132 29.172 30.300 0.008 0.000 1.338 279 R HN 0.432 nan 8.270 nan 0.000 0.731 280 Y N 0.531 120.936 120.300 0.175 0.000 2.335 280 Y HA 0.010 4.560 4.550 -0.000 0.000 0.348 280 Y C 1.573 177.610 175.900 0.229 0.000 1.280 280 Y CA 0.206 58.417 58.100 0.185 0.000 1.504 280 Y CB 0.455 39.036 38.460 0.202 0.000 1.366 280 Y HN 0.485 nan 8.280 nan 0.000 0.621 281 H N -0.401 118.872 119.070 0.338 0.000 2.809 281 H HA 0.071 4.627 4.556 -0.000 0.000 0.150 281 H C -0.099 175.435 175.328 0.343 0.000 1.073 281 H CA 0.409 56.636 56.048 0.299 0.000 1.099 281 H CB -0.014 29.919 29.762 0.286 0.000 1.078 281 H HN 0.674 nan 8.280 nan 0.000 0.337 282 Q N 1.154 121.255 119.800 0.500 0.000 2.454 282 Q HA -0.042 4.298 4.340 -0.000 0.000 0.247 282 Q C -0.798 175.408 176.000 0.344 0.000 1.028 282 Q CA -0.231 55.827 55.803 0.424 0.000 0.910 282 Q CB 0.488 29.383 28.738 0.261 0.000 1.276 282 Q HN 0.455 nan 8.270 nan 0.000 0.489 283 Y N 1.619 122.020 120.300 0.168 0.000 2.585 283 Y HA 0.177 4.727 4.550 -0.000 0.000 0.354 283 Y C -0.930 174.979 175.900 0.016 0.000 1.024 283 Y CA -0.770 57.374 58.100 0.073 0.000 1.321 283 Y CB 0.367 38.863 38.460 0.061 0.000 1.151 283 Y HN 0.729 nan 8.280 nan 0.000 0.525 284 D N 8.993 129.186 120.400 -0.344 0.000 2.502 284 D HA 0.265 4.905 4.640 -0.000 0.000 0.301 284 D C -2.891 173.106 176.300 -0.505 0.000 1.202 284 D CA -2.195 51.590 54.000 -0.358 0.000 0.878 284 D CB 0.645 41.344 40.800 -0.169 0.000 1.062 284 D HN 0.248 nan 8.370 nan 0.000 0.499 285 P HA 0.328 nan 4.420 nan 0.000 0.265 285 P C 0.430 177.506 177.300 -0.373 0.000 1.187 285 P CA 0.387 63.120 63.100 -0.613 0.000 0.766 285 P CB 1.504 32.810 31.700 -0.656 0.000 0.820 286 G N 1.819 110.415 108.800 -0.340 0.000 2.399 286 G HA2 0.104 4.063 3.960 -0.000 0.000 0.256 286 G HA3 0.104 4.063 3.960 -0.000 0.000 0.256 286 G C -1.628 173.099 174.900 -0.289 0.000 1.236 286 G CA -0.653 44.293 45.100 -0.257 0.000 0.914 286 G HN 0.472 nan 8.290 nan 0.000 0.482 287 Q N -0.525 119.154 119.800 -0.202 0.000 2.259 287 Q HA 0.452 4.792 4.340 -0.000 0.000 0.249 287 Q C 0.290 176.222 176.000 -0.113 0.000 0.914 287 Q CA -0.533 55.172 55.803 -0.163 0.000 0.904 287 Q CB 1.754 30.452 28.738 -0.066 0.000 1.213 287 Q HN 0.567 nan 8.270 nan 0.000 0.428 288 Y N 1.112 121.417 120.300 0.008 0.000 2.242 288 Y HA -0.075 4.475 4.550 -0.000 0.000 0.291 288 Y C 0.556 176.510 175.900 0.090 0.000 1.137 288 Y CA 0.528 58.671 58.100 0.071 0.000 1.181 288 Y CB 0.532 39.038 38.460 0.076 0.000 0.989 288 Y HN 0.370 nan 8.280 nan 0.000 0.527 289 L N 0.080 121.424 121.223 0.201 0.000 2.472 289 L HA 0.331 4.671 4.340 -0.000 0.000 0.260 289 L C -0.844 176.066 176.870 0.066 0.000 0.963 289 L CA -1.247 53.669 54.840 0.126 0.000 0.829 289 L CB 1.965 44.096 42.059 0.121 0.000 1.348 289 L HN -0.255 nan 8.230 nan 0.000 0.408 290 K N 1.816 122.239 120.400 0.040 0.000 2.202 290 K HA 0.371 4.691 4.320 -0.000 0.000 0.264 290 K C -2.371 174.243 176.600 0.022 0.000 1.010 290 K CA -1.707 54.590 56.287 0.017 0.000 0.940 290 K CB 0.628 33.130 32.500 0.003 0.000 0.983 290 K HN 0.195 nan 8.250 nan 0.000 0.475 291 P HA -0.023 nan 4.420 nan 0.000 0.265 291 P C 0.639 177.946 177.300 0.013 0.000 1.187 291 P CA 0.878 63.986 63.100 0.013 0.000 0.766 291 P CB 0.414 32.117 31.700 0.005 0.000 0.820 292 G N 1.184 109.994 108.800 0.016 0.000 2.213 292 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.236 292 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.236 292 G C 0.200 175.116 174.900 0.027 0.000 0.991 292 G CA -0.033 45.076 45.100 0.015 0.000 0.629 292 G HN 0.619 nan 8.290 nan 0.000 0.517 293 T N 1.468 116.044 114.554 0.036 0.000 2.771 293 T HA 0.617 4.967 4.350 -0.000 0.000 0.281 293 T C 0.026 174.754 174.700 0.047 0.000 0.982 293 T CA -0.347 61.785 62.100 0.053 0.000 0.978 293 T CB 1.872 70.780 68.868 0.067 0.000 0.930 293 T HN 0.530 nan 8.240 nan 0.000 0.447 294 R N 3.643 124.170 120.500 0.044 0.000 2.562 294 R HA 0.690 5.030 4.340 -0.000 0.000 0.298 294 R C -1.484 174.834 176.300 0.029 0.000 0.961 294 R CA -0.768 55.350 56.100 0.030 0.000 0.881 294 R CB 1.111 31.425 30.300 0.024 0.000 1.159 294 R HN 0.591 nan 8.270 nan 0.000 0.450 295 L N 5.587 126.817 121.223 0.012 0.000 2.346 295 L HA 0.593 4.933 4.340 -0.000 0.000 0.276 295 L C -1.317 175.538 176.870 -0.024 0.000 1.006 295 L CA -0.766 54.073 54.840 -0.001 0.000 0.817 295 L CB 1.628 43.677 42.059 -0.016 0.000 1.272 295 L HN 0.667 nan 8.230 nan 0.000 0.421 296 I N 3.751 124.309 120.570 -0.021 0.000 2.447 296 I HA 0.315 4.485 4.170 -0.000 0.000 0.287 296 I C -0.518 175.576 176.117 -0.038 0.000 1.023 296 I CA -0.320 60.963 61.300 -0.028 0.000 1.083 296 I CB 2.054 40.047 38.000 -0.012 0.000 1.245 296 I HN 0.518 nan 8.210 nan 0.000 0.434 297 S N 5.743 121.409 115.700 -0.058 0.000 2.454 297 S HA 0.629 5.099 4.470 -0.000 0.000 0.306 297 S C -0.764 173.810 174.600 -0.045 0.000 1.100 297 S CA -0.478 57.684 58.200 -0.064 0.000 1.087 297 S CB 1.288 64.421 63.200 -0.112 0.000 1.019 297 S HN 0.326 nan 8.310 nan 0.000 0.480 298 V N 4.948 124.844 119.914 -0.030 0.000 2.313 298 V HA 0.539 4.659 4.120 -0.000 0.000 0.278 298 V C 0.427 176.508 176.094 -0.022 0.000 1.017 298 V CA -0.459 61.828 62.300 -0.022 0.000 0.823 298 V CB 0.947 32.764 31.823 -0.010 0.000 1.010 298 V HN 0.936 nan 8.190 nan 0.000 0.443 299 T N 3.231 117.766 114.554 -0.031 0.000 2.916 299 T HA 0.286 4.636 4.350 -0.000 0.000 0.292 299 T C 0.848 175.518 174.700 -0.051 0.000 1.055 299 T CA -0.115 61.966 62.100 -0.032 0.000 1.009 299 T CB 1.455 70.304 68.868 -0.033 0.000 1.118 299 T HN 0.819 nan 8.240 nan 0.000 0.497 300 C N 1.387 120.640 119.300 -0.079 0.000 2.791 300 C HA 0.490 4.950 4.460 -0.000 0.000 0.270 300 C C 0.384 175.273 174.990 -0.167 0.000 1.257 300 C CA -0.548 58.393 59.018 -0.128 0.000 1.699 300 C CB -1.202 26.431 27.740 -0.179 0.000 1.904 300 C HN 0.737 nan 8.230 nan 0.000 0.603 301 D N 1.209 121.535 120.400 -0.123 0.000 2.471 301 D HA 0.357 4.997 4.640 -0.000 0.000 0.245 301 D C -1.935 174.343 176.300 -0.037 0.000 1.116 301 D CA -1.752 52.192 54.000 -0.093 0.000 0.853 301 D CB 2.141 42.927 40.800 -0.023 0.000 1.123 301 D HN -0.089 nan 8.370 nan 0.000 0.540 302 P HA -0.084 nan 4.420 nan 0.000 0.216 302 P C 1.755 179.059 177.300 0.007 0.000 1.150 302 P CA 0.811 63.904 63.100 -0.011 0.000 0.843 302 P CB 0.389 32.087 31.700 -0.004 0.000 0.787 303 L N -0.803 120.438 121.223 0.030 0.000 2.191 303 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 303 L C 2.332 179.225 176.870 0.038 0.000 1.103 303 L CA 1.521 56.396 54.840 0.058 0.000 0.769 303 L CB -0.698 41.432 42.059 0.118 0.000 0.908 303 L HN 0.079 nan 8.230 nan 0.000 0.438 304 E N -0.096 120.117 120.200 0.022 0.000 2.051 304 E HA -0.141 4.209 4.350 -0.000 0.000 0.189 304 E C 2.323 178.901 176.600 -0.038 0.000 0.979 304 E CA 0.966 57.364 56.400 -0.003 0.000 0.803 304 E CB -0.076 29.627 29.700 0.006 0.000 0.761 304 E HN 0.456 nan 8.360 nan 0.000 0.451 305 A N 1.224 124.022 122.820 -0.037 0.000 1.972 305 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 305 A C 2.291 179.846 177.584 -0.049 0.000 1.169 305 A CA 1.633 53.638 52.037 -0.052 0.000 0.635 305 A CB -0.489 18.486 19.000 -0.041 0.000 0.810 305 A HN 0.300 nan 8.150 nan 0.000 0.446 306 A N 0.786 123.590 122.820 -0.027 0.000 1.897 306 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 306 A C 2.169 179.735 177.584 -0.029 0.000 1.181 306 A CA 1.467 53.491 52.037 -0.020 0.000 0.620 306 A CB -0.422 18.579 19.000 0.001 0.000 0.821 306 A HN 0.690 nan 8.150 nan 0.000 0.443 307 R N -0.352 120.132 120.500 -0.027 0.000 2.299 307 R HA 0.420 4.760 4.340 -0.000 0.000 0.197 307 R C 0.759 177.010 176.300 -0.081 0.000 0.971 307 R CA 0.560 56.641 56.100 -0.032 0.000 1.030 307 R CB -0.542 29.758 30.300 -0.000 0.000 0.932 307 R HN 0.270 nan 8.270 nan 0.000 0.477 308 A N 3.634 126.383 122.820 -0.118 0.000 2.545 308 A HA 0.126 4.446 4.320 -0.000 0.000 0.253 308 A C -1.421 176.031 177.584 -0.220 0.000 1.074 308 A CA -1.113 50.804 52.037 -0.200 0.000 0.760 308 A CB 0.141 19.012 19.000 -0.214 0.000 1.005 308 A HN 0.301 nan 8.150 nan 0.000 0.506 309 P HA 0.038 nan 4.420 nan 0.000 0.245 309 P C -0.173 176.907 177.300 -0.366 0.000 1.212 309 P CA 0.730 63.578 63.100 -0.420 0.000 0.774 309 P CB -0.123 31.063 31.700 -0.857 0.000 0.999 310 M N -3.028 116.397 119.600 -0.291 0.000 2.833 310 M HA 0.574 5.054 4.480 -0.000 0.000 0.270 310 M C -0.483 175.730 176.300 -0.145 0.000 1.209 310 M CA -0.038 55.160 55.300 -0.170 0.000 0.826 310 M CB 1.086 33.614 32.600 -0.121 0.000 1.657 310 M HN 0.031 nan 8.290 nan 0.000 0.492 311 G N 1.589 110.338 108.800 -0.085 0.000 2.829 311 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.628 311 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.628 311 G C -1.341 173.518 174.900 -0.070 0.000 1.412 311 G CA -0.103 44.953 45.100 -0.073 0.000 0.864 311 G HN 1.021 nan 8.290 nan 0.000 0.544 312 D N 0.029 120.397 120.400 -0.054 0.000 2.388 312 D HA 0.752 5.392 4.640 -0.000 0.000 0.254 312 D C 0.672 176.939 176.300 -0.056 0.000 1.111 312 D CA 0.875 54.847 54.000 -0.046 0.000 0.993 312 D CB 1.655 42.437 40.800 -0.030 0.000 1.118 312 D HN 1.291 nan 8.370 nan 0.000 0.502 313 A N 0.370 123.161 122.820 -0.048 0.000 2.572 313 A HA 0.703 5.023 4.320 -0.000 0.000 0.295 313 A C -1.260 176.302 177.584 -0.036 0.000 1.072 313 A CA -0.623 51.385 52.037 -0.050 0.000 0.691 313 A CB 1.256 20.219 19.000 -0.060 0.000 1.291 313 A HN 0.454 nan 8.150 nan 0.000 0.404 314 I N 1.546 122.095 120.570 -0.034 0.000 2.468 314 I HA 0.340 4.510 4.170 -0.000 0.000 0.285 314 I C -0.933 175.166 176.117 -0.030 0.000 1.039 314 I CA -0.866 60.418 61.300 -0.027 0.000 1.074 314 I CB 2.108 40.095 38.000 -0.021 0.000 1.228 314 I HN 0.309 nan 8.210 nan 0.000 0.436 315 V N 5.933 125.829 119.914 -0.030 0.000 2.348 315 V HA 0.817 4.937 4.120 -0.000 0.000 0.270 315 V C 0.384 176.458 176.094 -0.033 0.000 1.037 315 V CA -0.011 62.268 62.300 -0.035 0.000 0.872 315 V CB 0.569 32.371 31.823 -0.034 0.000 1.002 315 V HN 0.897 nan 8.190 nan 0.000 0.464 316 A N 3.744 126.542 122.820 -0.036 0.000 2.493 316 A HA 0.621 4.941 4.320 -0.000 0.000 0.300 316 A C -1.169 176.393 177.584 -0.036 0.000 1.152 316 A CA -0.760 51.258 52.037 -0.032 0.000 0.643 316 A CB 0.952 19.939 19.000 -0.022 0.000 1.316 316 A HN 0.667 nan 8.150 nan 0.000 0.469 317 D N 0.279 120.662 120.400 -0.028 0.000 2.383 317 D HA 0.300 4.940 4.640 -0.000 0.000 0.252 317 D C 1.147 177.437 176.300 -0.016 0.000 1.166 317 D CA -0.325 53.659 54.000 -0.026 0.000 0.879 317 D CB 0.323 41.114 40.800 -0.015 0.000 1.164 317 D HN 0.285 nan 8.370 nan 0.000 0.462 318 I N 3.808 124.368 120.570 -0.017 0.000 2.286 318 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 318 I C 2.247 178.370 176.117 0.009 0.000 1.115 318 I CA 1.159 62.458 61.300 -0.001 0.000 1.392 318 I CB -1.561 36.443 38.000 0.006 0.000 1.065 318 I HN 0.657 nan 8.210 nan 0.000 0.418 319 G N 0.701 109.506 108.800 0.009 0.000 2.433 319 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.216 319 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.216 319 G C 1.886 176.793 174.900 0.012 0.000 1.186 319 G CA 1.072 46.180 45.100 0.014 0.000 0.779 319 G HN 0.479 nan 8.290 nan 0.000 0.543 320 A N 0.437 123.261 122.820 0.007 0.000 1.883 320 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 320 A C 2.464 180.051 177.584 0.006 0.000 1.186 320 A CA 2.156 54.196 52.037 0.006 0.000 0.624 320 A CB -0.360 18.641 19.000 0.002 0.000 0.822 320 A HN 0.303 nan 8.150 nan 0.000 0.444 321 M N -0.553 119.050 119.600 0.004 0.000 2.099 321 M HA -0.081 4.399 4.480 -0.000 0.000 0.262 321 M C 2.574 178.881 176.300 0.011 0.000 1.067 321 M CA 1.575 56.878 55.300 0.005 0.000 1.124 321 M CB -1.586 31.015 32.600 0.001 0.000 1.353 321 M HN 0.487 nan 8.290 nan 0.000 0.410 322 A N -0.313 122.516 122.820 0.016 0.000 1.883 322 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 322 A C 2.505 180.102 177.584 0.022 0.000 1.186 322 A CA 2.523 54.574 52.037 0.024 0.000 0.624 322 A CB -1.066 17.952 19.000 0.031 0.000 0.822 322 A HN 0.513 nan 8.150 nan 0.000 0.444 323 S N -0.438 115.272 115.700 0.018 0.000 2.348 323 S HA -0.069 4.401 4.470 -0.000 0.000 0.221 323 S C 2.241 176.849 174.600 0.014 0.000 1.033 323 S CA 1.838 60.047 58.200 0.016 0.000 1.010 323 S CB -0.643 62.564 63.200 0.012 0.000 0.891 323 S HN 0.931 nan 8.310 nan 0.000 0.442 324 A N 1.688 124.514 122.820 0.011 0.000 1.873 324 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 324 A C 2.322 179.913 177.584 0.011 0.000 1.193 324 A CA 1.840 53.882 52.037 0.009 0.000 0.629 324 A CB -1.090 17.914 19.000 0.006 0.000 0.826 324 A HN 0.599 nan 8.150 nan 0.000 0.447 325 L N -0.917 120.314 121.223 0.013 0.000 2.017 325 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 325 L C 3.114 179.995 176.870 0.019 0.000 1.073 325 L CA 1.154 56.003 54.840 0.015 0.000 0.745 325 L CB -0.618 41.451 42.059 0.016 0.000 0.894 325 L HN 0.459 nan 8.230 nan 0.000 0.432 326 A N 0.155 122.989 122.820 0.022 0.000 1.978 326 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 326 A C 1.823 179.420 177.584 0.021 0.000 1.170 326 A CA 1.860 53.913 52.037 0.026 0.000 0.636 326 A CB -0.462 18.555 19.000 0.028 0.000 0.810 326 A HN 0.520 nan 8.150 nan 0.000 0.448 327 N N -0.906 117.804 118.700 0.017 0.000 2.280 327 N HA 0.192 4.932 4.740 -0.000 0.000 0.192 327 N C 1.088 176.606 175.510 0.013 0.000 1.109 327 N CA 0.400 53.458 53.050 0.014 0.000 0.855 327 N CB 0.399 38.893 38.487 0.011 0.000 0.974 327 N HN 0.485 nan 8.380 nan 0.000 0.482 328 L N 0.224 121.455 121.223 0.013 0.000 2.577 328 L HA 0.188 4.528 4.340 -0.000 0.000 0.225 328 L C 0.636 177.514 176.870 0.013 0.000 1.053 328 L CA 0.031 54.878 54.840 0.012 0.000 0.866 328 L CB 0.138 42.203 42.059 0.010 0.000 1.132 328 L HN -0.106 nan 8.230 nan 0.000 0.486 329 V N -0.742 119.182 119.914 0.016 0.000 2.872 329 V HA 0.082 4.202 4.120 -0.000 0.000 0.307 329 V C 0.179 176.284 176.094 0.018 0.000 1.072 329 V CA -0.736 61.575 62.300 0.018 0.000 1.148 329 V CB 0.264 32.100 31.823 0.021 0.000 0.954 329 V HN 0.193 nan 8.190 nan 0.000 0.490 330 E N 1.707 121.918 120.200 0.018 0.000 2.349 330 E HA 0.290 4.640 4.350 -0.000 0.000 0.262 330 E C -0.337 176.276 176.600 0.021 0.000 1.088 330 E CA -0.501 55.910 56.400 0.018 0.000 0.899 330 E CB 0.884 30.594 29.700 0.016 0.000 1.044 330 E HN 0.913 nan 8.360 nan 0.000 0.420 331 E N 1.495 121.707 120.200 0.021 0.000 2.166 331 E HA 0.037 4.387 4.350 -0.000 0.000 0.279 331 E C -0.671 175.943 176.600 0.024 0.000 1.095 331 E CA -0.116 56.299 56.400 0.025 0.000 0.888 331 E CB 0.668 30.382 29.700 0.023 0.000 1.041 331 E HN 0.319 nan 8.360 nan 0.000 0.414 332 S N 3.055 118.771 115.700 0.027 0.000 2.572 332 S HA 0.028 4.498 4.470 -0.000 0.000 0.279 332 S C 1.029 175.644 174.600 0.024 0.000 1.341 332 S CA 0.130 58.346 58.200 0.026 0.000 1.043 332 S CB 0.547 63.765 63.200 0.030 0.000 0.887 332 S HN 0.664 nan 8.310 nan 0.000 0.516 333 S N 3.998 119.710 115.700 0.020 0.000 2.562 333 S HA 0.170 4.640 4.470 -0.000 0.000 0.221 333 S C 0.736 175.347 174.600 0.019 0.000 0.975 333 S CA -0.278 57.932 58.200 0.018 0.000 0.918 333 S CB -0.146 63.062 63.200 0.014 0.000 0.772 333 S HN 0.707 nan 8.310 nan 0.000 0.531 334 R N 1.528 122.041 120.500 0.022 0.000 2.827 334 R HA 0.166 4.506 4.340 -0.000 0.000 0.269 334 R C 0.088 176.403 176.300 0.024 0.000 1.048 334 R CA -0.071 56.043 56.100 0.023 0.000 1.173 334 R CB 0.188 30.505 30.300 0.029 0.000 1.070 334 R HN 0.353 nan 8.270 nan 0.000 0.498 335 Q N 1.585 121.398 119.800 0.022 0.000 2.314 335 Q HA 0.062 4.402 4.340 -0.000 0.000 0.258 335 Q C -0.244 175.773 176.000 0.028 0.000 0.954 335 Q CA -0.349 55.466 55.803 0.021 0.000 0.890 335 Q CB 0.841 29.588 28.738 0.015 0.000 1.210 335 Q HN 0.282 nan 8.270 nan 0.000 0.410 336 L N 5.054 126.295 121.223 0.030 0.000 2.490 336 L HA 0.157 4.496 4.340 -0.000 0.000 0.274 336 L C -2.110 174.782 176.870 0.036 0.000 1.201 336 L CA -0.813 54.053 54.840 0.043 0.000 0.869 336 L CB 0.039 42.123 42.059 0.042 0.000 1.123 336 L HN 0.425 nan 8.230 nan 0.000 0.484 337 P HA 0.051 nan 4.420 nan 0.000 0.266 337 P C -0.970 176.341 177.300 0.018 0.000 1.193 337 P CA 0.047 63.164 63.100 0.028 0.000 0.770 337 P CB 0.275 31.990 31.700 0.024 0.000 0.836 338 T N 1.834 116.390 114.554 0.003 0.000 2.856 338 T HA 0.433 4.783 4.350 -0.000 0.000 0.292 338 T C 0.339 175.035 174.700 -0.007 0.000 0.980 338 T CA -0.331 61.766 62.100 -0.004 0.000 1.091 338 T CB 0.567 69.431 68.868 -0.007 0.000 0.936 338 T HN 0.461 nan 8.240 nan 0.000 0.503 339 A N 2.646 125.463 122.820 -0.005 0.000 2.531 339 A HA 0.533 4.853 4.320 -0.000 0.000 0.236 339 A C 0.863 178.445 177.584 -0.004 0.000 1.062 339 A CA -0.431 51.609 52.037 0.006 0.000 0.760 339 A CB -0.246 18.754 19.000 0.000 0.000 0.995 339 A HN 1.081 nan 8.150 nan 0.000 0.501 340 A N 3.810 126.628 122.820 -0.004 0.000 2.445 340 A HA 0.544 4.863 4.320 -0.000 0.000 0.242 340 A C -1.390 176.192 177.584 -0.002 0.000 1.075 340 A CA -0.884 51.141 52.037 -0.021 0.000 0.777 340 A CB -0.525 18.450 19.000 -0.042 0.000 1.013 340 A HN 0.804 nan 8.150 nan 0.000 0.493 341 P HA 0.157 nan 4.420 nan 0.000 0.274 341 P C -0.480 176.823 177.300 0.005 0.000 1.231 341 P CA -0.351 62.748 63.100 -0.001 0.000 0.790 341 P CB 0.553 32.251 31.700 -0.004 0.000 0.951 342 E N 2.323 122.527 120.200 0.007 0.000 2.413 342 E HA 0.098 4.448 4.350 -0.000 0.000 0.263 342 E C -1.529 175.077 176.600 0.010 0.000 1.015 342 E CA -0.937 55.470 56.400 0.011 0.000 0.916 342 E CB -0.309 29.398 29.700 0.010 0.000 0.947 342 E HN 0.444 nan 8.360 nan 0.000 0.440 343 P HA 0.076 nan 4.420 nan 0.000 0.269 343 P C -0.688 176.619 177.300 0.011 0.000 1.215 343 P CA -0.264 62.843 63.100 0.012 0.000 0.780 343 P CB 0.585 32.295 31.700 0.017 0.000 0.898 344 A N 2.710 125.534 122.820 0.007 0.000 2.425 344 A HA 0.138 4.458 4.320 -0.000 0.000 0.242 344 A C 0.583 178.170 177.584 0.006 0.000 1.077 344 A CA -0.175 51.864 52.037 0.004 0.000 0.781 344 A CB -0.060 18.939 19.000 -0.002 0.000 1.020 344 A HN 0.524 nan 8.150 nan 0.000 0.494 345 K N 2.706 123.108 120.400 0.004 0.000 2.285 345 K HA 0.356 4.676 4.320 -0.000 0.000 0.286 345 K C -0.645 175.949 176.600 -0.011 0.000 1.072 345 K CA -0.124 56.166 56.287 0.006 0.000 0.913 345 K CB 0.430 32.936 32.500 0.010 0.000 1.067 345 K HN 0.437 nan 8.250 nan 0.000 0.479 346 V N 3.804 123.703 119.914 -0.024 0.000 2.811 346 V HA -0.025 4.095 4.120 -0.000 0.000 0.302 346 V C 0.501 176.550 176.094 -0.074 0.000 1.063 346 V CA -0.317 61.938 62.300 -0.076 0.000 1.088 346 V CB 0.782 32.522 31.823 -0.139 0.000 0.982 346 V HN 0.717 nan 8.190 nan 0.000 0.485 347 D N 2.896 123.238 120.400 -0.097 0.000 2.455 347 D HA 0.256 4.896 4.640 -0.000 0.000 0.241 347 D C -0.053 176.250 176.300 0.005 0.000 1.138 347 D CA 0.372 54.349 54.000 -0.040 0.000 0.877 347 D CB 0.979 41.762 40.800 -0.028 0.000 1.187 347 D HN 0.535 nan 8.370 nan 0.000 0.451 348 Q N 2.151 121.996 119.800 0.076 0.000 2.295 348 Q HA 0.211 4.551 4.340 -0.000 0.000 0.259 348 Q C -1.379 174.681 176.000 0.099 0.000 0.966 348 Q CA -0.759 55.139 55.803 0.157 0.000 0.763 348 Q CB 1.030 29.850 28.738 0.136 0.000 1.283 348 Q HN 0.377 nan 8.270 nan 0.000 0.445 349 D N 1.898 122.357 120.400 0.099 0.000 2.425 349 D HA 0.363 5.002 4.640 -0.000 0.000 0.274 349 D C 0.309 176.632 176.300 0.038 0.000 1.242 349 D CA -0.032 54.003 54.000 0.057 0.000 1.060 349 D CB 0.392 41.222 40.800 0.050 0.000 1.112 349 D HN 0.442 nan 8.370 nan 0.000 0.561 350 A N -1.115 121.721 122.820 0.025 0.000 2.276 350 A HA 0.461 4.780 4.320 -0.000 0.000 0.212 350 A C 0.994 178.583 177.584 0.008 0.000 1.230 350 A CA 0.406 52.453 52.037 0.017 0.000 0.844 350 A CB -1.137 17.872 19.000 0.015 0.000 0.860 350 A HN 0.535 nan 8.150 nan 0.000 0.486 351 G N -0.663 108.138 108.800 0.001 0.000 2.849 351 G HA2 0.436 4.396 3.960 -0.000 0.000 0.174 351 G HA3 0.436 4.396 3.960 -0.000 0.000 0.174 351 G C -0.044 174.835 174.900 -0.036 0.000 1.370 351 G CA -1.053 44.039 45.100 -0.014 0.000 1.040 351 G HN 0.428 nan 8.290 nan 0.000 0.582 352 R N -0.778 119.688 120.500 -0.056 0.000 2.697 352 R HA 0.125 4.465 4.340 -0.000 0.000 0.265 352 R C -0.619 175.599 176.300 -0.137 0.000 1.009 352 R CA -0.049 56.002 56.100 -0.082 0.000 1.099 352 R CB 0.056 30.304 30.300 -0.086 0.000 0.965 352 R HN 0.140 nan 8.270 nan 0.000 0.428 353 L N 2.730 123.884 121.223 -0.115 0.000 2.375 353 L HA 0.200 4.540 4.340 -0.000 0.000 0.271 353 L C 0.670 177.441 176.870 -0.165 0.000 1.107 353 L CA -0.091 54.681 54.840 -0.114 0.000 0.806 353 L CB 0.543 42.566 42.059 -0.060 0.000 1.146 353 L HN 0.368 nan 8.230 nan 0.000 0.447 354 H N 2.299 121.359 119.070 -0.017 0.000 2.525 354 H HA 0.151 4.707 4.556 -0.000 0.000 0.339 354 H C -1.633 173.669 175.328 -0.043 0.000 1.109 354 H CA -1.600 54.443 56.048 -0.007 0.000 1.352 354 H CB 1.393 31.162 29.762 0.013 0.000 1.461 354 H HN 0.378 nan 8.280 nan 0.000 0.533 355 P HA -0.176 nan 4.420 nan 0.000 0.216 355 P C 1.055 178.328 177.300 -0.046 0.000 1.153 355 P CA 1.397 64.459 63.100 -0.063 0.000 0.858 355 P CB 0.463 32.229 31.700 0.110 0.000 0.789 356 E N -1.076 119.219 120.200 0.158 0.000 2.070 356 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 356 E C 2.019 178.688 176.600 0.115 0.000 1.004 356 E CA 1.897 58.415 56.400 0.197 0.000 0.805 356 E CB -1.545 28.227 29.700 0.120 0.000 0.744 356 E HN 0.230 nan 8.360 nan 0.000 0.451 357 T N 0.334 114.933 114.554 0.075 0.000 2.684 357 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 357 T C 2.005 176.698 174.700 -0.012 0.000 1.036 357 T CA 1.414 63.541 62.100 0.046 0.000 1.148 357 T CB -0.398 68.510 68.868 0.067 0.000 0.863 357 T HN -0.026 nan 8.240 nan 0.000 0.436 358 V N 0.783 120.624 119.914 -0.121 0.000 2.287 358 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 358 V C 2.097 178.083 176.094 -0.180 0.000 1.053 358 V CA 1.778 63.946 62.300 -0.220 0.000 1.027 358 V CB -0.874 30.694 31.823 -0.425 0.000 0.646 358 V HN 0.486 nan 8.190 nan 0.000 0.447 359 F N 0.276 120.237 119.950 0.018 0.000 2.134 359 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 359 F C 2.411 178.203 175.800 -0.013 0.000 1.097 359 F CA 1.428 59.417 58.000 -0.017 0.000 1.264 359 F CB -0.446 38.530 39.000 -0.040 0.000 1.001 359 F HN 0.184 nan 8.300 nan 0.000 0.479 360 D N -0.189 120.311 120.400 0.166 0.000 2.123 360 D HA -0.139 4.501 4.640 -0.000 0.000 0.196 360 D C 2.252 178.598 176.300 0.076 0.000 0.992 360 D CA 1.808 55.867 54.000 0.099 0.000 0.833 360 D CB -0.811 40.033 40.800 0.074 0.000 0.954 360 D HN 0.166 nan 8.370 nan 0.000 0.455 361 T N 1.020 115.610 114.554 0.060 0.000 2.708 361 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 361 T C 2.234 176.977 174.700 0.071 0.000 1.037 361 T CA 0.477 62.607 62.100 0.049 0.000 1.146 361 T CB -0.338 68.547 68.868 0.027 0.000 0.865 361 T HN 0.106 nan 8.240 nan 0.000 0.435 362 L N 1.267 122.548 121.223 0.097 0.000 2.042 362 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 362 L C 2.717 179.689 176.870 0.170 0.000 1.076 362 L CA 1.328 56.262 54.840 0.157 0.000 0.749 362 L CB -0.596 41.607 42.059 0.239 0.000 0.893 362 L HN 0.405 nan 8.230 nan 0.000 0.432 363 N N -0.310 118.470 118.700 0.132 0.000 2.149 363 N HA -0.214 4.526 4.740 -0.000 0.000 0.188 363 N C 1.273 176.834 175.510 0.084 0.000 1.019 363 N CA 1.516 54.629 53.050 0.104 0.000 0.857 363 N CB 0.107 38.628 38.487 0.056 0.000 0.997 363 N HN 0.335 nan 8.380 nan 0.000 0.426 364 D N 0.313 120.754 120.400 0.069 0.000 2.123 364 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 364 D C 1.853 178.182 176.300 0.048 0.000 0.976 364 D CA 1.034 55.064 54.000 0.050 0.000 0.831 364 D CB -0.039 40.785 40.800 0.040 0.000 0.974 364 D HN 0.442 nan 8.370 nan 0.000 0.469 365 M N 0.320 119.954 119.600 0.056 0.000 2.486 365 M HA 0.163 4.643 4.480 -0.000 0.000 0.264 365 M C 0.975 177.301 176.300 0.043 0.000 1.125 365 M CA 0.014 55.341 55.300 0.044 0.000 1.144 365 M CB 0.372 32.996 32.600 0.040 0.000 1.353 365 M HN -0.191 nan 8.290 nan 0.000 0.466 366 A N 2.601 125.463 122.820 0.069 0.000 2.407 366 A HA 0.374 4.694 4.320 -0.000 0.000 0.248 366 A C -2.056 175.542 177.584 0.024 0.000 1.082 366 A CA -1.192 50.872 52.037 0.044 0.000 0.785 366 A CB -0.670 18.385 19.000 0.092 0.000 1.020 366 A HN 0.128 nan 8.150 nan 0.000 0.489 367 P HA 0.058 nan 4.420 nan 0.000 0.270 367 P C 0.170 177.464 177.300 -0.010 0.000 1.223 367 P CA -0.051 63.039 63.100 -0.017 0.000 0.785 367 P CB 0.523 32.201 31.700 -0.036 0.000 0.923 368 E N 1.223 121.421 120.200 -0.004 0.000 2.265 368 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 368 E C 0.812 177.407 176.600 -0.009 0.000 0.996 368 E CA 0.905 57.306 56.400 0.002 0.000 0.832 368 E CB -0.275 29.422 29.700 -0.004 0.000 0.756 368 E HN 0.530 nan 8.360 nan 0.000 0.491 369 N N 0.621 119.305 118.700 -0.027 0.000 2.321 369 N HA 0.141 4.881 4.740 -0.000 0.000 0.242 369 N C -0.205 175.265 175.510 -0.067 0.000 1.141 369 N CA -0.135 52.893 53.050 -0.036 0.000 0.864 369 N CB 0.238 38.706 38.487 -0.032 0.000 1.100 369 N HN -0.061 nan 8.380 nan 0.000 0.510 370 A N 0.777 123.533 122.820 -0.108 0.000 2.406 370 A HA 0.487 4.807 4.320 -0.000 0.000 0.243 370 A C 0.090 177.511 177.584 -0.272 0.000 1.082 370 A CA -0.183 51.709 52.037 -0.241 0.000 0.786 370 A CB 0.179 18.941 19.000 -0.396 0.000 1.029 370 A HN 0.398 nan 8.150 nan 0.000 0.495 371 I N 1.119 121.504 120.570 -0.309 0.000 2.389 371 I HA 0.314 4.484 4.170 -0.000 0.000 0.288 371 I C -1.228 174.746 176.117 -0.238 0.000 0.999 371 I CA -0.240 60.967 61.300 -0.156 0.000 1.129 371 I CB 1.216 39.212 38.000 -0.008 0.000 1.288 371 I HN 0.614 nan 8.210 nan 0.000 0.444 372 Y N 6.101 126.420 120.300 0.032 0.000 2.387 372 Y HA 0.645 5.195 4.550 -0.000 0.000 0.330 372 Y C -0.348 175.557 175.900 0.009 0.000 1.133 372 Y CA -0.795 57.323 58.100 0.030 0.000 1.152 372 Y CB 1.455 39.944 38.460 0.049 0.000 1.215 372 Y HN 0.334 nan 8.280 nan 0.000 0.466 373 L N 2.557 123.884 121.223 0.174 0.000 2.386 373 L HA 0.399 4.739 4.340 -0.000 0.000 0.271 373 L C -0.640 176.297 176.870 0.112 0.000 0.993 373 L CA -0.503 54.388 54.840 0.086 0.000 0.819 373 L CB 1.975 44.077 42.059 0.072 0.000 1.294 373 L HN 0.669 nan 8.230 nan 0.000 0.414 374 N N 1.951 120.701 118.700 0.083 0.000 2.399 374 N HA 0.330 5.070 4.740 -0.000 0.000 0.280 374 N C -0.819 174.906 175.510 0.358 0.000 1.008 374 N CA -0.219 52.984 53.050 0.255 0.000 0.894 374 N CB 1.267 39.948 38.487 0.323 0.000 1.273 374 N HN 0.762 nan 8.380 nan 0.000 0.486 375 E N 2.449 122.828 120.200 0.297 0.000 3.918 375 E HA 0.046 4.396 4.350 -0.000 0.000 0.183 375 E C -1.330 175.423 176.600 0.255 0.000 1.021 375 E CA -0.094 56.458 56.400 0.254 0.000 1.431 375 E CB 0.471 30.271 29.700 0.168 0.000 1.140 375 E HN 0.353 nan 8.360 nan 0.000 0.435 376 S N 0.465 116.346 115.700 0.301 0.000 2.497 376 S HA 0.053 4.523 4.470 -0.000 0.000 0.176 376 S C 1.434 176.208 174.600 0.291 0.000 1.445 376 S CA 0.127 58.489 58.200 0.269 0.000 1.092 376 S CB 0.075 63.447 63.200 0.287 0.000 1.216 376 S HN 0.469 nan 8.310 nan 0.000 0.486 377 T N 0.347 115.077 114.554 0.294 0.000 2.751 377 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 377 T C 1.638 176.469 174.700 0.218 0.000 1.045 377 T CA 2.027 64.309 62.100 0.303 0.000 1.142 377 T CB -0.687 68.351 68.868 0.283 0.000 0.851 377 T HN 0.686 nan 8.240 nan 0.000 0.474 378 S N 0.611 116.419 115.700 0.181 0.000 2.556 378 S HA 0.161 4.631 4.470 -0.000 0.000 0.216 378 S C 1.546 176.186 174.600 0.067 0.000 0.970 378 S CA 0.254 58.508 58.200 0.091 0.000 0.912 378 S CB -0.199 63.075 63.200 0.124 0.000 0.790 378 S HN 0.785 nan 8.310 nan 0.000 0.504 379 T N -3.114 111.527 114.554 0.145 0.000 3.145 379 T HA 0.211 4.561 4.350 -0.000 0.000 0.281 379 T C 1.217 175.990 174.700 0.121 0.000 1.003 379 T CA 0.240 62.455 62.100 0.192 0.000 0.901 379 T CB -0.231 68.869 68.868 0.387 0.000 1.112 379 T HN 0.146 nan 8.240 nan 0.000 0.535 380 T N 2.341 116.941 114.554 0.077 0.000 2.699 380 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 380 T C 2.378 177.094 174.700 0.027 0.000 1.036 380 T CA 1.731 63.862 62.100 0.051 0.000 1.147 380 T CB -0.716 68.158 68.868 0.009 0.000 0.862 380 T HN 0.645 nan 8.240 nan 0.000 0.446 381 A N 1.470 124.271 122.820 -0.032 0.000 1.865 381 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 381 A C 2.327 179.888 177.584 -0.037 0.000 1.191 381 A CA 1.835 53.846 52.037 -0.043 0.000 0.623 381 A CB -0.776 18.167 19.000 -0.096 0.000 0.826 381 A HN 0.477 nan 8.150 nan 0.000 0.444 382 Q N -0.930 118.843 119.800 -0.046 0.000 2.124 382 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 382 Q C 2.117 177.952 176.000 -0.275 0.000 0.977 382 Q CA 1.699 57.474 55.803 -0.046 0.000 0.850 382 Q CB -0.484 28.323 28.738 0.114 0.000 0.901 382 Q HN 0.782 nan 8.270 nan 0.000 0.429 383 M N -1.153 118.064 119.600 -0.639 0.000 2.080 383 M HA -0.198 4.282 4.480 -0.000 0.000 0.260 383 M C 1.166 177.095 176.300 -0.619 0.000 1.068 383 M CA 1.675 56.233 55.300 -1.237 0.000 1.109 383 M CB -0.162 31.695 32.600 -1.238 0.000 1.342 383 M HN 0.307 nan 8.290 nan 0.000 0.405 384 W N 0.742 121.786 121.300 -0.427 0.000 2.421 384 W HA -0.163 4.497 4.660 -0.000 0.000 0.270 384 W C 2.300 178.706 176.519 -0.189 0.000 1.233 384 W CA 1.255 58.409 57.345 -0.318 0.000 1.226 384 W CB -0.028 29.273 29.460 -0.265 0.000 1.121 384 W HN 0.400 nan 8.180 nan 0.000 0.579 385 Q N -0.915 118.902 119.800 0.029 0.000 2.250 385 Q HA 0.018 4.358 4.340 -0.000 0.000 0.200 385 Q C 1.829 177.820 176.000 -0.015 0.000 0.941 385 Q CA 0.751 56.573 55.803 0.033 0.000 0.872 385 Q CB -0.027 28.719 28.738 0.014 0.000 0.965 385 Q HN 0.261 nan 8.270 nan 0.000 0.480 386 R N -0.246 120.201 120.500 -0.089 0.000 2.334 386 R HA 0.235 4.574 4.340 -0.000 0.000 0.216 386 R C -0.098 176.143 176.300 -0.098 0.000 0.905 386 R CA 0.041 56.108 56.100 -0.054 0.000 1.064 386 R CB 0.551 30.868 30.300 0.028 0.000 1.046 386 R HN 0.060 nan 8.270 nan 0.000 0.508 387 L N 1.473 122.567 121.223 -0.215 0.000 2.305 387 L HA 0.278 4.618 4.340 -0.000 0.000 0.284 387 L C -0.386 176.370 176.870 -0.190 0.000 1.013 387 L CA -0.540 54.136 54.840 -0.274 0.000 0.819 387 L CB 1.650 43.352 42.059 -0.594 0.000 1.227 387 L HN 0.121 nan 8.230 nan 0.000 0.417 388 N N 5.156 123.799 118.700 -0.094 0.000 2.439 388 N HA 0.311 5.051 4.740 -0.000 0.000 0.243 388 N C -0.830 174.647 175.510 -0.056 0.000 1.088 388 N CA -0.504 52.506 53.050 -0.066 0.000 0.940 388 N CB 0.546 39.017 38.487 -0.026 0.000 1.180 388 N HN 0.570 nan 8.380 nan 0.000 0.505 389 M N 3.659 123.191 119.600 -0.114 0.000 2.055 389 M HA 0.243 4.723 4.480 -0.000 0.000 0.346 389 M C 0.953 177.183 176.300 -0.116 0.000 1.074 389 M CA -0.435 54.814 55.300 -0.084 0.000 1.009 389 M CB 1.501 34.020 32.600 -0.136 0.000 1.423 389 M HN 0.447 nan 8.290 nan 0.000 0.410 390 R N 0.565 121.018 120.500 -0.078 0.000 2.127 390 R HA 0.119 4.459 4.340 -0.000 0.000 0.217 390 R C 0.400 176.639 176.300 -0.103 0.000 1.074 390 R CA 0.679 56.721 56.100 -0.097 0.000 0.991 390 R CB 0.117 30.376 30.300 -0.067 0.000 0.895 390 R HN 0.630 nan 8.270 nan 0.000 0.450 391 N N 1.191 119.848 118.700 -0.071 0.000 2.485 391 N HA 0.301 5.040 4.740 -0.000 0.000 0.280 391 N C -2.599 172.878 175.510 -0.055 0.000 1.205 391 N CA -1.629 51.384 53.050 -0.062 0.000 0.959 391 N CB 0.614 39.078 38.487 -0.039 0.000 1.206 391 N HN -0.219 nan 8.380 nan 0.000 0.545 392 P HA 0.144 nan 4.420 nan 0.000 0.274 392 P C 0.270 177.565 177.300 -0.008 0.000 1.256 392 P CA 0.149 63.236 63.100 -0.022 0.000 0.795 392 P CB 0.279 31.974 31.700 -0.008 0.000 1.038 393 G N 0.559 109.352 108.800 -0.011 0.000 2.366 393 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.299 393 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.299 393 G C 0.533 175.425 174.900 -0.013 0.000 1.020 393 G CA 0.525 45.627 45.100 0.004 0.000 1.026 393 G HN 0.424 nan 8.290 nan 0.000 0.512 394 S N -1.467 114.184 115.700 -0.081 0.000 2.559 394 S HA 0.368 4.838 4.470 -0.000 0.000 0.226 394 S C -0.115 174.510 174.600 0.042 0.000 1.000 394 S CA 0.100 58.299 58.200 -0.001 0.000 0.948 394 S CB 0.618 63.828 63.200 0.017 0.000 0.870 394 S HN 0.766 nan 8.310 nan 0.000 0.497 395 Y N 0.719 120.810 120.300 -0.348 0.000 2.479 395 Y HA 0.567 5.117 4.550 -0.000 0.000 0.338 395 Y C -2.176 173.414 175.900 -0.517 0.000 1.055 395 Y CA -1.283 56.638 58.100 -0.298 0.000 1.023 395 Y CB 1.039 39.286 38.460 -0.354 0.000 1.287 395 Y HN 0.065 nan 8.280 nan 0.000 0.447 396 Y N 6.409 126.428 120.300 -0.467 0.000 2.470 396 Y HA 0.574 5.124 4.550 -0.000 0.000 0.341 396 Y C -1.515 174.261 175.900 -0.207 0.000 1.021 396 Y CA -1.081 56.928 58.100 -0.151 0.000 1.025 396 Y CB 2.183 40.722 38.460 0.131 0.000 1.266 396 Y HN 0.587 nan 8.280 nan 0.000 0.448 397 F N 3.002 122.943 119.950 -0.015 0.000 2.574 397 F HA 0.513 5.040 4.527 -0.000 0.000 0.313 397 F C -0.316 175.430 175.800 -0.089 0.000 1.130 397 F CA -1.780 56.237 58.000 0.027 0.000 0.936 397 F CB 0.886 39.966 39.000 0.134 0.000 1.219 397 F HN 0.724 nan 8.300 nan 0.000 0.445 398 C N 4.631 123.421 119.300 -0.850 0.000 2.250 398 C HA 0.357 4.817 4.460 -0.000 0.000 0.405 398 C C 1.715 176.318 174.990 -0.646 0.000 1.516 398 C CA -0.025 58.408 59.018 -0.975 0.000 1.412 398 C CB -1.522 25.799 27.740 -0.697 0.000 2.534 398 C HN 1.058 nan 8.230 nan 0.000 0.621 399 A N 3.242 125.788 122.820 -0.457 0.000 2.032 399 A HA 0.143 4.463 4.320 -0.000 0.000 0.221 399 A C 2.238 179.759 177.584 -0.105 0.000 1.165 399 A CA 2.001 53.941 52.037 -0.161 0.000 0.645 399 A CB -0.403 18.501 19.000 -0.160 0.000 0.807 399 A HN 1.700 nan 8.150 nan 0.000 0.453 400 A N -2.562 120.155 122.820 -0.171 0.000 2.430 400 A HA 0.471 4.791 4.320 -0.000 0.000 0.243 400 A C 1.617 179.121 177.584 -0.133 0.000 1.254 400 A CA 0.968 52.943 52.037 -0.104 0.000 0.914 400 A CB -0.549 18.404 19.000 -0.078 0.000 0.998 400 A HN 1.845 nan 8.150 nan 0.000 0.515 401 G N -0.998 107.679 108.800 -0.204 0.000 2.162 401 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.260 401 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.260 401 G C 0.686 175.452 174.900 -0.222 0.000 0.976 401 G CA 0.213 45.195 45.100 -0.196 0.000 0.655 401 G HN 1.466 nan 8.290 nan 0.000 0.533 402 G N 0.313 108.972 108.800 -0.234 0.000 2.365 402 G HA2 0.563 4.523 3.960 -0.000 0.000 0.293 402 G HA3 0.563 4.523 3.960 -0.000 0.000 0.293 402 G C 0.538 175.289 174.900 -0.247 0.000 1.128 402 G CA -0.509 44.464 45.100 -0.212 0.000 0.971 402 G HN 0.612 nan 8.290 nan 0.000 0.422 403 L N 1.813 122.809 121.223 -0.378 0.000 2.467 403 L HA 0.430 4.770 4.340 -0.000 0.000 0.270 403 L C 1.474 178.133 176.870 -0.351 0.000 1.205 403 L CA 0.809 55.379 54.840 -0.451 0.000 0.828 403 L CB 0.917 42.469 42.059 -0.845 0.000 1.101 403 L HN 0.825 nan 8.230 nan 0.000 0.479 404 G N 1.492 110.246 108.800 -0.077 0.000 2.154 404 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.186 404 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.186 404 G C 0.097 175.066 174.900 0.114 0.000 1.000 404 G CA 0.218 45.379 45.100 0.102 0.000 0.664 404 G HN 0.641 nan 8.290 nan 0.000 0.513 405 F N 1.444 121.362 119.950 -0.054 0.000 2.222 405 F HA 0.545 5.072 4.527 -0.000 0.000 0.285 405 F C 2.534 178.324 175.800 -0.016 0.000 1.068 405 F CA 1.825 59.792 58.000 -0.054 0.000 1.265 405 F CB -0.546 38.387 39.000 -0.112 0.000 1.087 405 F HN 0.241 nan 8.300 nan 0.000 0.511 406 A N 1.541 124.305 122.820 -0.095 0.000 1.884 406 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 406 A C 2.330 179.838 177.584 -0.126 0.000 1.197 406 A CA 2.326 54.266 52.037 -0.162 0.000 0.637 406 A CB -1.545 17.509 19.000 0.090 0.000 0.827 406 A HN 0.614 nan 8.150 nan 0.000 0.450 407 L N 0.080 121.323 121.223 0.033 0.000 1.970 407 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 407 L C -0.287 176.656 176.870 0.122 0.000 1.071 407 L CA 2.253 57.199 54.840 0.177 0.000 0.751 407 L CB -0.823 41.317 42.059 0.136 0.000 0.889 407 L HN 0.306 nan 8.230 nan 0.000 0.432 408 P HA -0.126 nan 4.420 nan 0.000 0.217 408 P C 1.246 178.453 177.300 -0.155 0.000 1.151 408 P CA 1.861 64.936 63.100 -0.041 0.000 0.828 408 P CB -0.044 31.627 31.700 -0.050 0.000 0.788 409 A N 0.883 123.468 122.820 -0.392 0.000 1.933 409 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 409 A C 2.511 179.877 177.584 -0.363 0.000 1.175 409 A CA 2.033 53.730 52.037 -0.566 0.000 0.628 409 A CB -1.540 16.628 19.000 -1.386 0.000 0.814 409 A HN 0.226 nan 8.150 nan 0.000 0.444 410 A N -0.099 122.566 122.820 -0.257 0.000 1.972 410 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 410 A C 2.067 179.575 177.584 -0.126 0.000 1.169 410 A CA 1.490 53.417 52.037 -0.182 0.000 0.635 410 A CB -0.566 18.329 19.000 -0.175 0.000 0.810 410 A HN 0.527 nan 8.150 nan 0.000 0.446 411 I N -0.648 119.902 120.570 -0.034 0.000 2.286 411 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 411 I C 2.686 178.814 176.117 0.018 0.000 1.104 411 I CA 1.007 62.328 61.300 0.035 0.000 1.397 411 I CB -0.618 37.456 38.000 0.124 0.000 1.072 411 I HN 0.386 nan 8.210 nan 0.000 0.417 412 G N 0.671 109.454 108.800 -0.028 0.000 2.402 412 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 412 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 412 G C 1.724 176.657 174.900 0.055 0.000 1.162 412 G CA 0.745 45.858 45.100 0.022 0.000 0.777 412 G HN 0.209 nan 8.290 nan 0.000 0.539 413 V N 0.637 120.495 119.914 -0.093 0.000 2.295 413 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 413 V C 2.789 178.862 176.094 -0.035 0.000 1.049 413 V CA 2.298 64.528 62.300 -0.117 0.000 1.024 413 V CB -0.486 31.217 31.823 -0.200 0.000 0.648 413 V HN 0.423 nan 8.190 nan 0.000 0.447 414 Q N -0.210 119.569 119.800 -0.034 0.000 2.170 414 Q HA -0.202 4.138 4.340 -0.000 0.000 0.203 414 Q C 1.916 177.938 176.000 0.037 0.000 0.976 414 Q CA 1.789 57.581 55.803 -0.019 0.000 0.858 414 Q CB -0.523 28.188 28.738 -0.046 0.000 0.907 414 Q HN 0.566 nan 8.270 nan 0.000 0.433 415 L N -0.416 120.865 121.223 0.097 0.000 2.156 415 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 415 L C 1.897 178.909 176.870 0.236 0.000 1.095 415 L CA 1.934 56.872 54.840 0.164 0.000 0.770 415 L CB -0.689 41.491 42.059 0.202 0.000 0.914 415 L HN 0.221 nan 8.230 nan 0.000 0.439 416 A N -1.624 121.313 122.820 0.196 0.000 1.975 416 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 416 A C 1.114 178.684 177.584 -0.024 0.000 1.170 416 A CA 0.665 52.701 52.037 -0.003 0.000 0.656 416 A CB -0.126 18.705 19.000 -0.282 0.000 0.821 416 A HN 0.391 nan 8.150 nan 0.000 0.449 417 E N -0.010 120.187 120.200 -0.005 0.000 3.167 417 E HA 0.158 4.508 4.350 -0.000 0.000 0.212 417 E C -2.112 174.485 176.600 -0.004 0.000 1.143 417 E CA -1.686 54.708 56.400 -0.011 0.000 1.002 417 E CB 0.829 30.521 29.700 -0.014 0.000 1.315 417 E HN 0.400 nan 8.360 nan 0.000 0.422 418 P HA -0.135 nan 4.420 nan 0.000 0.221 418 P C 0.642 177.938 177.300 -0.007 0.000 1.145 418 P CA 1.012 64.116 63.100 0.006 0.000 0.795 418 P CB 0.606 32.316 31.700 0.017 0.000 0.775 419 E N -0.390 119.803 120.200 -0.010 0.000 2.479 419 E HA 0.091 4.441 4.350 -0.000 0.000 0.193 419 E C 0.629 177.213 176.600 -0.026 0.000 1.049 419 E CA 0.196 56.586 56.400 -0.016 0.000 0.870 419 E CB 0.151 29.844 29.700 -0.013 0.000 0.944 419 E HN 0.418 nan 8.360 nan 0.000 0.492 420 R N 1.044 121.525 120.500 -0.032 0.000 2.480 420 R HA 0.248 4.588 4.340 -0.000 0.000 0.306 420 R C -0.320 175.939 176.300 -0.069 0.000 0.958 420 R CA -0.840 55.231 56.100 -0.048 0.000 0.861 420 R CB 1.399 31.674 30.300 -0.041 0.000 1.171 420 R HN -0.158 nan 8.270 nan 0.000 0.445 421 Q N 2.400 122.147 119.800 -0.090 0.000 2.262 421 Q HA 0.106 4.446 4.340 -0.000 0.000 0.272 421 Q C -0.900 174.998 176.000 -0.170 0.000 1.076 421 Q CA 0.199 55.932 55.803 -0.116 0.000 0.905 421 Q CB 0.864 29.533 28.738 -0.114 0.000 1.182 421 Q HN 0.388 nan 8.270 nan 0.000 0.390 422 V N 6.852 126.667 119.914 -0.165 0.000 2.439 422 V HA 0.414 4.534 4.120 -0.000 0.000 0.282 422 V C 0.103 176.054 176.094 -0.239 0.000 1.039 422 V CA -0.432 61.752 62.300 -0.195 0.000 0.913 422 V CB 1.084 32.808 31.823 -0.164 0.000 0.983 422 V HN 0.722 nan 8.190 nan 0.000 0.460 423 I N 4.288 124.709 120.570 -0.248 0.000 2.439 423 I HA 0.592 4.762 4.170 -0.000 0.000 0.283 423 I C 0.110 176.201 176.117 -0.044 0.000 1.023 423 I CA -0.520 60.677 61.300 -0.172 0.000 1.100 423 I CB 1.743 39.650 38.000 -0.155 0.000 1.238 423 I HN 0.637 nan 8.210 nan 0.000 0.445 424 A N 6.737 129.509 122.820 -0.080 0.000 2.249 424 A HA 0.665 4.985 4.320 -0.000 0.000 0.314 424 A C -0.355 177.304 177.584 0.125 0.000 1.290 424 A CA -0.439 51.616 52.037 0.030 0.000 0.893 424 A CB 0.700 19.690 19.000 -0.018 0.000 1.165 424 A HN 0.461 nan 8.150 nan 0.000 0.530 425 V N 5.097 125.128 119.914 0.194 0.000 2.348 425 V HA 0.325 4.445 4.120 -0.000 0.000 0.270 425 V C -0.112 176.099 176.094 0.196 0.000 1.037 425 V CA 0.187 62.611 62.300 0.205 0.000 0.872 425 V CB 0.053 32.062 31.823 0.311 0.000 1.002 425 V HN 0.703 nan 8.190 nan 0.000 0.464 426 I N 3.631 124.291 120.570 0.149 0.000 2.509 426 I HA 0.578 4.748 4.170 -0.000 0.000 0.293 426 I C 0.942 177.108 176.117 0.082 0.000 1.020 426 I CA -0.563 60.822 61.300 0.141 0.000 1.088 426 I CB 1.999 40.088 38.000 0.148 0.000 1.267 426 I HN 0.641 nan 8.210 nan 0.000 0.430 427 G N 2.782 111.657 108.800 0.125 0.000 2.527 427 G HA2 0.051 4.011 3.960 -0.000 0.000 0.248 427 G HA3 0.051 4.011 3.960 -0.000 0.000 0.248 427 G C 0.851 175.782 174.900 0.052 0.000 1.231 427 G CA -0.280 44.883 45.100 0.106 0.000 0.838 427 G HN 0.849 nan 8.290 nan 0.000 0.570 428 D N 0.792 121.187 120.400 -0.007 0.000 2.182 428 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 428 D C 2.035 178.506 176.300 0.285 0.000 0.986 428 D CA 1.365 55.336 54.000 -0.049 0.000 0.847 428 D CB -0.611 40.222 40.800 0.056 0.000 0.942 428 D HN 0.460 nan 8.370 nan 0.000 0.467 429 G N 0.325 109.319 108.800 0.323 0.000 2.395 429 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.214 429 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.214 429 G C 1.859 177.090 174.900 0.551 0.000 1.177 429 G CA 0.754 46.150 45.100 0.493 0.000 0.794 429 G HN 0.328 nan 8.290 nan 0.000 0.532 430 S N 1.203 117.190 115.700 0.478 0.000 2.382 430 S HA -0.042 4.428 4.470 -0.000 0.000 0.228 430 S C 2.738 177.607 174.600 0.448 0.000 1.027 430 S CA 1.117 59.604 58.200 0.479 0.000 0.991 430 S CB -0.351 63.004 63.200 0.258 0.000 0.823 430 S HN 0.570 nan 8.310 nan 0.000 0.469 431 A N 2.617 125.625 122.820 0.313 0.000 2.032 431 A HA -0.185 4.135 4.320 -0.000 0.000 0.221 431 A C 1.896 179.658 177.584 0.297 0.000 1.165 431 A CA 1.489 53.687 52.037 0.269 0.000 0.645 431 A CB -0.563 18.559 19.000 0.204 0.000 0.807 431 A HN 0.511 nan 8.150 nan 0.000 0.453 432 N N -1.144 117.732 118.700 0.294 0.000 2.216 432 N HA -0.151 4.589 4.740 -0.000 0.000 0.183 432 N C 1.531 177.083 175.510 0.070 0.000 1.017 432 N CA 1.561 54.693 53.050 0.138 0.000 0.861 432 N CB -0.545 37.954 38.487 0.020 0.000 0.986 432 N HN 0.641 nan 8.380 nan 0.000 0.428 433 Y N 1.532 121.910 120.300 0.129 0.000 2.096 433 Y HA -0.147 4.403 4.550 -0.000 0.000 0.278 433 Y C 1.642 177.585 175.900 0.071 0.000 1.192 433 Y CA 1.214 59.370 58.100 0.093 0.000 1.143 433 Y CB -0.264 38.246 38.460 0.084 0.000 0.963 433 Y HN -0.044 nan 8.280 nan 0.000 0.505 434 S N -0.843 114.992 115.700 0.224 0.000 2.668 434 S HA 0.144 4.613 4.470 -0.000 0.000 0.244 434 S C 1.159 175.803 174.600 0.072 0.000 1.140 434 S CA -0.345 57.928 58.200 0.121 0.000 1.134 434 S CB -0.064 63.197 63.200 0.102 0.000 0.954 434 S HN 0.238 nan 8.310 nan 0.000 0.490 435 I N 2.962 123.586 120.570 0.091 0.000 2.248 435 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 435 I C 2.341 178.454 176.117 -0.006 0.000 1.107 435 I CA 1.887 63.239 61.300 0.087 0.000 1.373 435 I CB -0.323 37.768 38.000 0.151 0.000 1.055 435 I HN 0.473 nan 8.210 nan 0.000 0.418 436 S N 0.597 116.248 115.700 -0.082 0.000 2.500 436 S HA -0.069 4.401 4.470 -0.000 0.000 0.239 436 S C 2.168 176.533 174.600 -0.392 0.000 0.989 436 S CA 0.675 58.603 58.200 -0.454 0.000 0.951 436 S CB -0.983 62.052 63.200 -0.274 0.000 0.759 436 S HN 0.520 nan 8.310 nan 0.000 0.523 437 A N 2.221 124.949 122.820 -0.153 0.000 1.978 437 A HA 0.082 4.402 4.320 -0.000 0.000 0.220 437 A C 2.181 179.730 177.584 -0.058 0.000 1.170 437 A CA 1.294 53.298 52.037 -0.054 0.000 0.636 437 A CB -0.866 18.131 19.000 -0.006 0.000 0.810 437 A HN 0.569 nan 8.150 nan 0.000 0.448 438 L N -2.533 118.593 121.223 -0.162 0.000 2.051 438 L HA -0.280 4.060 4.340 -0.000 0.000 0.214 438 L C 2.461 179.331 176.870 -0.001 0.000 1.076 438 L CA 1.961 56.711 54.840 -0.149 0.000 0.758 438 L CB -0.551 41.440 42.059 -0.113 0.000 0.890 438 L HN 0.764 nan 8.230 nan 0.000 0.433 439 W N 0.968 122.106 121.300 -0.269 0.000 2.318 439 W HA -0.263 4.397 4.660 -0.000 0.000 0.313 439 W C 2.604 179.111 176.519 -0.019 0.000 1.221 439 W CA 2.376 59.645 57.345 -0.126 0.000 1.266 439 W CB -0.451 28.851 29.460 -0.265 0.000 1.150 439 W HN 0.002 nan 8.180 nan 0.000 0.496 440 T N 0.393 115.040 114.554 0.156 0.000 2.759 440 T HA -0.218 4.131 4.350 -0.000 0.000 0.269 440 T C 1.925 176.680 174.700 0.093 0.000 1.042 440 T CA 1.979 64.167 62.100 0.147 0.000 1.140 440 T CB -0.924 68.115 68.868 0.284 0.000 0.864 440 T HN 0.271 nan 8.240 nan 0.000 0.455 441 A N 1.407 124.282 122.820 0.092 0.000 1.902 441 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 441 A C 2.636 180.233 177.584 0.021 0.000 1.181 441 A CA 1.857 53.969 52.037 0.124 0.000 0.623 441 A CB -1.104 18.044 19.000 0.247 0.000 0.818 441 A HN 0.512 nan 8.150 nan 0.000 0.443 442 A N -1.213 121.559 122.820 -0.081 0.000 1.855 442 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 442 A C 2.142 179.542 177.584 -0.307 0.000 1.191 442 A CA 1.647 53.590 52.037 -0.157 0.000 0.613 442 A CB -0.577 18.323 19.000 -0.167 0.000 0.829 442 A HN 0.463 nan 8.150 nan 0.000 0.442 443 Q N -1.022 118.410 119.800 -0.612 0.000 2.077 443 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 443 Q C 1.246 176.839 176.000 -0.679 0.000 0.989 443 Q CA 1.753 57.052 55.803 -0.841 0.000 0.853 443 Q CB -0.438 27.419 28.738 -1.469 0.000 0.907 443 Q HN 0.867 nan 8.270 nan 0.000 0.418 444 Y N -0.039 120.138 120.300 -0.204 0.000 2.493 444 Y HA 0.132 4.682 4.550 -0.000 0.000 0.275 444 Y C 0.350 176.208 175.900 -0.070 0.000 1.183 444 Y CA -0.412 57.622 58.100 -0.110 0.000 1.258 444 Y CB -0.349 38.063 38.460 -0.080 0.000 1.108 444 Y HN 0.163 nan 8.280 nan 0.000 0.521 445 N N 1.428 120.127 118.700 -0.000 0.000 2.686 445 N HA -0.231 4.509 4.740 -0.000 0.000 0.261 445 N C -1.106 174.434 175.510 0.050 0.000 1.001 445 N CA 0.294 53.351 53.050 0.011 0.000 0.764 445 N CB -1.100 37.385 38.487 -0.004 0.000 0.898 445 N HN 0.406 nan 8.380 nan 0.000 0.544 446 I N 1.481 122.096 120.570 0.074 0.000 2.287 446 I HA 0.200 4.370 4.170 -0.000 0.000 0.290 446 I C -1.265 174.884 176.117 0.053 0.000 1.069 446 I CA -2.011 59.331 61.300 0.069 0.000 1.237 446 I CB 1.149 39.205 38.000 0.093 0.000 1.418 446 I HN 0.130 nan 8.210 nan 0.000 0.481 447 P HA -0.067 nan 4.420 nan 0.000 0.311 447 P C 0.146 177.414 177.300 -0.054 0.000 1.543 447 P CA 0.216 63.316 63.100 0.000 0.000 0.766 447 P CB -0.696 30.999 31.700 -0.008 0.000 1.711 448 T N 1.302 115.802 114.554 -0.090 0.000 2.919 448 T HA 0.239 4.589 4.350 -0.000 0.000 0.302 448 T C 0.761 175.209 174.700 -0.419 0.000 1.031 448 T CA 0.266 62.176 62.100 -0.317 0.000 1.127 448 T CB 0.654 69.218 68.868 -0.508 0.000 0.952 448 T HN 0.066 nan 8.240 nan 0.000 0.540 449 I N 3.255 123.549 120.570 -0.459 0.000 2.339 449 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 449 I C -0.863 175.006 176.117 -0.414 0.000 0.994 449 I CA -0.647 60.483 61.300 -0.284 0.000 1.191 449 I CB 0.934 38.858 38.000 -0.128 0.000 1.343 449 I HN 0.510 nan 8.210 nan 0.000 0.458 450 F N 5.941 125.908 119.950 0.029 0.000 2.388 450 F HA 0.386 4.913 4.527 -0.000 0.000 0.358 450 F C 0.064 175.878 175.800 0.024 0.000 1.122 450 F CA -0.880 57.139 58.000 0.033 0.000 1.056 450 F CB 1.305 40.331 39.000 0.042 0.000 1.155 450 F HN 0.013 nan 8.300 nan 0.000 0.461 451 V N 5.632 125.637 119.914 0.153 0.000 2.318 451 V HA 0.272 4.392 4.120 -0.000 0.000 0.271 451 V C 0.083 176.206 176.094 0.047 0.000 1.030 451 V CA -0.569 61.782 62.300 0.084 0.000 0.844 451 V CB 0.628 32.488 31.823 0.063 0.000 1.015 451 V HN 0.425 nan 8.190 nan 0.000 0.460 452 I N 6.056 126.613 120.570 -0.022 0.000 2.337 452 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 452 I C 0.273 176.298 176.117 -0.153 0.000 1.046 452 I CA -0.329 60.875 61.300 -0.160 0.000 1.324 452 I CB 1.236 38.976 38.000 -0.433 0.000 1.409 452 I HN 0.441 nan 8.210 nan 0.000 0.494 453 M N 5.860 125.399 119.600 -0.102 0.000 2.201 453 M HA 0.145 4.625 4.480 -0.000 0.000 0.345 453 M C 0.156 176.412 176.300 -0.073 0.000 1.352 453 M CA -0.036 55.224 55.300 -0.067 0.000 1.218 453 M CB -0.538 32.054 32.600 -0.013 0.000 1.512 453 M HN 0.360 nan 8.290 nan 0.000 0.447 454 N N 3.823 122.481 118.700 -0.070 0.000 2.485 454 N HA 0.168 4.908 4.740 -0.000 0.000 0.243 454 N C -0.117 175.411 175.510 0.028 0.000 0.987 454 N CA -0.095 52.944 53.050 -0.019 0.000 0.940 454 N CB 0.480 38.977 38.487 0.017 0.000 1.122 454 N HN 0.496 nan 8.380 nan 0.000 0.509 455 N N 2.066 120.797 118.700 0.050 0.000 2.197 455 N HA 0.163 4.903 4.740 -0.000 0.000 0.228 455 N C 0.886 176.432 175.510 0.061 0.000 1.212 455 N CA 0.065 53.146 53.050 0.052 0.000 0.883 455 N CB 0.036 38.558 38.487 0.059 0.000 1.107 455 N HN 0.461 nan 8.380 nan 0.000 0.519 456 G N -0.912 107.932 108.800 0.074 0.000 2.233 456 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.270 456 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.270 456 G C -0.014 174.896 174.900 0.016 0.000 1.011 456 G CA 1.050 46.184 45.100 0.055 0.000 0.762 456 G HN 0.804 nan 8.290 nan 0.000 0.511 457 T N -1.976 112.599 114.554 0.035 0.000 2.840 457 T HA 0.496 4.846 4.350 -0.000 0.000 0.317 457 T C -0.544 174.234 174.700 0.130 0.000 1.401 457 T CA -0.628 61.483 62.100 0.018 0.000 1.028 457 T CB 0.879 69.789 68.868 0.071 0.000 1.317 457 T HN 0.243 nan 8.240 nan 0.000 0.495 458 Y N 2.618 123.005 120.300 0.146 0.000 2.623 458 Y HA 0.228 4.778 4.550 -0.000 0.000 0.341 458 Y C 1.897 177.909 175.900 0.186 0.000 1.292 458 Y CA -0.524 57.679 58.100 0.172 0.000 1.840 458 Y CB -0.021 38.542 38.460 0.171 0.000 1.865 458 Y HN 0.959 nan 8.280 nan 0.000 0.440 459 G N 1.513 110.506 108.800 0.322 0.000 2.599 459 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.219 459 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.219 459 G C 1.840 176.927 174.900 0.313 0.000 1.193 459 G CA 1.183 46.444 45.100 0.268 0.000 0.778 459 G HN 0.648 nan 8.290 nan 0.000 0.589 460 A N 0.415 123.427 122.820 0.320 0.000 1.917 460 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 460 A C 2.498 180.411 177.584 0.548 0.000 1.182 460 A CA 1.708 53.980 52.037 0.393 0.000 0.633 460 A CB -0.435 18.783 19.000 0.363 0.000 0.819 460 A HN 0.408 nan 8.150 nan 0.000 0.448 461 L N -1.528 119.949 121.223 0.423 0.000 2.093 461 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 461 L C 2.815 179.902 176.870 0.362 0.000 1.085 461 L CA 1.365 56.435 54.840 0.384 0.000 0.755 461 L CB -0.556 41.660 42.059 0.262 0.000 0.904 461 L HN 0.379 nan 8.230 nan 0.000 0.435 462 R N -0.946 119.747 120.500 0.323 0.000 2.120 462 R HA -0.220 4.120 4.340 -0.000 0.000 0.234 462 R C 2.076 178.524 176.300 0.245 0.000 1.123 462 R CA 1.762 58.009 56.100 0.245 0.000 0.975 462 R CB -0.346 30.083 30.300 0.215 0.000 0.866 462 R HN 0.411 nan 8.270 nan 0.000 0.446 463 W N 0.589 121.973 121.300 0.139 0.000 2.380 463 W HA -0.130 4.530 4.660 -0.000 0.000 0.317 463 W C 1.547 178.080 176.519 0.024 0.000 1.196 463 W CA 1.238 58.611 57.345 0.047 0.000 1.307 463 W CB -0.592 28.859 29.460 -0.015 0.000 1.157 463 W HN -0.103 nan 8.180 nan 0.000 0.483 464 F N 0.937 120.961 119.950 0.125 0.000 2.202 464 F HA -0.216 4.311 4.527 -0.000 0.000 0.301 464 F C 2.570 178.280 175.800 -0.151 0.000 1.082 464 F CA 2.095 60.033 58.000 -0.103 0.000 1.313 464 F CB -1.244 37.826 39.000 0.118 0.000 1.024 464 F HN 0.010 nan 8.300 nan 0.000 0.495 465 A N 0.257 123.156 122.820 0.132 0.000 1.917 465 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 465 A C 2.565 180.123 177.584 -0.044 0.000 1.182 465 A CA 1.953 54.026 52.037 0.061 0.000 0.633 465 A CB -1.604 17.447 19.000 0.086 0.000 0.819 465 A HN 0.417 nan 8.150 nan 0.000 0.448 466 G N -0.239 108.479 108.800 -0.138 0.000 2.433 466 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 466 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 466 G C 1.666 176.413 174.900 -0.255 0.000 1.186 466 G CA 2.128 47.111 45.100 -0.195 0.000 0.779 466 G HN 1.040 nan 8.290 nan 0.000 0.543 467 V N -0.718 118.931 119.914 -0.442 0.000 2.343 467 V HA 0.037 4.157 4.120 -0.000 0.000 0.247 467 V C 2.612 178.604 176.094 -0.171 0.000 1.051 467 V CA 1.485 63.555 62.300 -0.383 0.000 1.036 467 V CB -0.581 30.863 31.823 -0.631 0.000 0.654 467 V HN 0.267 nan 8.190 nan 0.000 0.451 468 L N 0.171 121.335 121.223 -0.098 0.000 2.610 468 L HA 0.168 4.508 4.340 -0.000 0.000 0.232 468 L C 0.919 177.778 176.870 -0.019 0.000 1.149 468 L CA 0.539 55.373 54.840 -0.010 0.000 0.872 468 L CB -0.920 41.171 42.059 0.053 0.000 0.992 468 L HN 0.499 nan 8.230 nan 0.000 0.447 469 E N -0.197 119.975 120.200 -0.047 0.000 2.222 469 E HA -0.210 4.140 4.350 -0.000 0.000 0.189 469 E C -0.028 176.567 176.600 -0.009 0.000 1.415 469 E CA 0.224 56.605 56.400 -0.032 0.000 0.689 469 E CB -1.107 28.576 29.700 -0.028 0.000 1.107 469 E HN 0.447 nan 8.360 nan 0.000 0.350 470 A N 2.052 124.873 122.820 0.002 0.000 2.331 470 A HA 0.575 4.895 4.320 -0.000 0.000 0.320 470 A C -0.075 177.522 177.584 0.022 0.000 1.138 470 A CA -0.607 51.441 52.037 0.017 0.000 0.790 470 A CB 1.089 20.108 19.000 0.032 0.000 1.206 470 A HN 0.247 nan 8.150 nan 0.000 0.470 471 E N 1.340 121.553 120.200 0.021 0.000 2.299 471 E HA 0.399 4.749 4.350 -0.000 0.000 0.265 471 E C -0.712 175.905 176.600 0.028 0.000 0.911 471 E CA -1.217 55.197 56.400 0.024 0.000 0.789 471 E CB 1.134 30.844 29.700 0.017 0.000 1.246 471 E HN 0.670 nan 8.360 nan 0.000 0.427 472 N N -0.277 118.441 118.700 0.031 0.000 2.754 472 N HA -0.144 4.596 4.740 -0.000 0.000 0.248 472 N C -0.934 174.599 175.510 0.037 0.000 1.093 472 N CA 0.407 53.475 53.050 0.031 0.000 0.699 472 N CB -1.272 37.229 38.487 0.024 0.000 1.016 472 N HN 0.144 nan 8.380 nan 0.000 0.552 473 V N 2.101 122.043 119.914 0.048 0.000 2.432 473 V HA 0.296 4.415 4.120 -0.000 0.000 0.271 473 V C -0.813 175.321 176.094 0.066 0.000 1.046 473 V CA -0.861 61.474 62.300 0.058 0.000 0.945 473 V CB 1.252 33.118 31.823 0.072 0.000 0.992 473 V HN 0.139 nan 8.190 nan 0.000 0.471 474 P HA 0.307 nan 4.420 nan 0.000 0.277 474 P C 0.648 178.003 177.300 0.092 0.000 1.271 474 P CA 0.232 63.371 63.100 0.065 0.000 0.795 474 P CB 0.817 32.547 31.700 0.051 0.000 1.101 475 G N 0.001 108.853 108.800 0.087 0.000 2.341 475 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.292 475 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.292 475 G C 0.528 175.544 174.900 0.194 0.000 1.021 475 G CA 0.471 45.643 45.100 0.120 0.000 0.905 475 G HN 0.483 nan 8.290 nan 0.000 0.508 476 L N -1.057 120.257 121.223 0.151 0.000 2.554 476 L HA 0.256 4.596 4.340 -0.000 0.000 0.225 476 L C 0.357 177.248 176.870 0.036 0.000 1.104 476 L CA 0.082 55.051 54.840 0.215 0.000 0.866 476 L CB 0.085 42.257 42.059 0.189 0.000 1.047 476 L HN 0.132 nan 8.230 nan 0.000 0.468 477 D N 0.436 120.803 120.400 -0.055 0.000 2.248 477 D HA 0.333 4.973 4.640 -0.000 0.000 0.246 477 D C -0.035 176.133 176.300 -0.220 0.000 1.027 477 D CA -0.088 53.839 54.000 -0.122 0.000 0.853 477 D CB 3.048 43.826 40.800 -0.037 0.000 1.243 477 D HN -0.198 nan 8.370 nan 0.000 0.462 478 V N -0.778 118.993 119.914 -0.239 0.000 2.468 478 V HA 0.356 4.476 4.120 -0.000 0.000 0.256 478 V C -2.525 173.521 176.094 -0.080 0.000 0.998 478 V CA -1.358 60.819 62.300 -0.205 0.000 1.114 478 V CB 0.469 32.106 31.823 -0.310 0.000 1.378 478 V HN 0.316 nan 8.190 nan 0.000 0.573 479 P HA 0.446 nan 4.420 nan 0.000 0.276 479 P C 0.816 178.093 177.300 -0.038 0.000 1.261 479 P CA 0.936 64.022 63.100 -0.024 0.000 0.800 479 P CB 1.385 33.073 31.700 -0.019 0.000 1.066 480 G N 0.006 108.787 108.800 -0.032 0.000 2.182 480 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.248 480 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.248 480 G C -0.171 174.664 174.900 -0.108 0.000 1.042 480 G CA -0.134 44.931 45.100 -0.057 0.000 0.775 480 G HN 0.489 nan 8.290 nan 0.000 0.501 481 I N 0.542 121.025 120.570 -0.145 0.000 2.389 481 I HA 0.288 4.458 4.170 -0.000 0.000 0.288 481 I C -0.733 175.127 176.117 -0.428 0.000 0.999 481 I CA -0.823 60.264 61.300 -0.356 0.000 1.129 481 I CB 1.800 39.481 38.000 -0.532 0.000 1.288 481 I HN 0.021 nan 8.210 nan 0.000 0.444 482 D N 6.443 126.619 120.400 -0.373 0.000 2.456 482 D HA 0.204 4.844 4.640 -0.000 0.000 0.219 482 D C 0.609 176.741 176.300 -0.280 0.000 1.126 482 D CA -0.281 53.588 54.000 -0.218 0.000 0.890 482 D CB 0.575 41.306 40.800 -0.116 0.000 1.025 482 D HN 0.298 nan 8.370 nan 0.000 0.511 483 F N 2.034 121.992 119.950 0.013 0.000 2.293 483 F HA 0.000 4.527 4.527 -0.000 0.000 0.300 483 F C 2.369 178.179 175.800 0.017 0.000 1.086 483 F CA 0.532 58.544 58.000 0.019 0.000 1.375 483 F CB 0.002 39.023 39.000 0.034 0.000 1.045 483 F HN 0.235 nan 8.300 nan 0.000 0.516 484 R N 0.179 120.772 120.500 0.157 0.000 2.092 484 R HA -0.073 4.267 4.340 -0.000 0.000 0.231 484 R C 2.477 178.802 176.300 0.042 0.000 1.119 484 R CA 1.136 57.294 56.100 0.097 0.000 0.970 484 R CB -0.677 29.669 30.300 0.076 0.000 0.864 484 R HN 0.263 nan 8.270 nan 0.000 0.440 485 A N 0.957 123.777 122.820 -0.000 0.000 1.898 485 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 485 A C 2.118 179.667 177.584 -0.058 0.000 1.181 485 A CA 1.095 53.108 52.037 -0.039 0.000 0.620 485 A CB -0.510 18.449 19.000 -0.068 0.000 0.819 485 A HN 0.177 nan 8.150 nan 0.000 0.442 486 L N -0.782 120.406 121.223 -0.058 0.000 2.046 486 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 486 L C 3.125 180.004 176.870 0.014 0.000 1.077 486 L CA 1.084 55.894 54.840 -0.050 0.000 0.747 486 L CB -0.607 41.443 42.059 -0.016 0.000 0.896 486 L HN 0.449 nan 8.230 nan 0.000 0.432 487 A N 0.162 123.020 122.820 0.065 0.000 1.908 487 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 487 A C 2.408 180.029 177.584 0.062 0.000 1.181 487 A CA 2.090 54.177 52.037 0.084 0.000 0.627 487 A CB -0.489 18.563 19.000 0.087 0.000 0.818 487 A HN 0.350 nan 8.150 nan 0.000 0.445 488 K N -0.606 119.807 120.400 0.022 0.000 2.057 488 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 488 K C 2.037 178.619 176.600 -0.030 0.000 1.049 488 K CA 1.411 57.701 56.287 0.005 0.000 0.931 488 K CB -0.602 31.892 32.500 -0.009 0.000 0.714 488 K HN 0.378 nan 8.250 nan 0.000 0.440 489 G N -0.168 108.564 108.800 -0.113 0.000 2.469 489 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 489 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 489 G C 0.853 175.578 174.900 -0.292 0.000 1.136 489 G CA 0.968 45.907 45.100 -0.267 0.000 0.759 489 G HN 0.452 nan 8.290 nan 0.000 0.562 490 Y N 0.046 120.402 120.300 0.094 0.000 2.607 490 Y HA 0.376 4.926 4.550 -0.000 0.000 0.266 490 Y C 1.760 177.737 175.900 0.129 0.000 1.178 490 Y CA -0.221 57.991 58.100 0.187 0.000 1.226 490 Y CB 0.643 39.218 38.460 0.191 0.000 1.144 490 Y HN 0.263 nan 8.280 nan 0.000 0.528 491 G N 0.915 109.816 108.800 0.167 0.000 2.198 491 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.257 491 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.257 491 G C -0.494 174.444 174.900 0.064 0.000 1.042 491 G CA 0.197 45.350 45.100 0.088 0.000 0.791 491 G HN 0.150 nan 8.290 nan 0.000 0.502 492 V N 0.493 120.458 119.914 0.084 0.000 2.459 492 V HA 0.407 4.527 4.120 -0.000 0.000 0.295 492 V C 0.828 176.967 176.094 0.076 0.000 1.029 492 V CA -0.739 61.609 62.300 0.080 0.000 0.874 492 V CB 1.877 33.753 31.823 0.089 0.000 0.985 492 V HN 0.524 nan 8.190 nan 0.000 0.438 493 Q N 2.599 122.442 119.800 0.072 0.000 2.283 493 Q HA 0.367 4.707 4.340 -0.000 0.000 0.301 493 Q C -0.156 175.892 176.000 0.080 0.000 1.063 493 Q CA 0.188 56.030 55.803 0.065 0.000 0.952 493 Q CB 0.747 29.520 28.738 0.058 0.000 1.166 493 Q HN 0.942 nan 8.270 nan 0.000 0.381 494 A N 4.901 127.763 122.820 0.069 0.000 2.374 494 A HA 0.806 5.126 4.320 -0.000 0.000 0.317 494 A C -1.310 176.314 177.584 0.066 0.000 1.094 494 A CA -0.708 51.377 52.037 0.079 0.000 0.765 494 A CB 1.152 20.199 19.000 0.079 0.000 1.268 494 A HN 0.741 nan 8.150 nan 0.000 0.438 495 L N 0.474 121.739 121.223 0.071 0.000 2.376 495 L HA 0.666 5.006 4.340 -0.000 0.000 0.258 495 L C -0.553 176.352 176.870 0.059 0.000 1.013 495 L CA -1.032 53.842 54.840 0.057 0.000 0.822 495 L CB 2.526 44.616 42.059 0.050 0.000 1.388 495 L HN 0.716 nan 8.230 nan 0.000 0.413 496 K N 1.242 121.670 120.400 0.047 0.000 2.316 496 K HA 0.830 5.150 4.320 -0.000 0.000 0.251 496 K C -1.314 175.305 176.600 0.032 0.000 0.934 496 K CA -0.293 56.021 56.287 0.045 0.000 0.802 496 K CB 2.170 34.697 32.500 0.044 0.000 1.171 496 K HN 0.632 nan 8.250 nan 0.000 0.426 497 A N 3.728 126.563 122.820 0.026 0.000 2.522 497 A HA 0.330 4.650 4.320 -0.000 0.000 0.285 497 A C -0.791 176.798 177.584 0.008 0.000 1.198 497 A CA -0.615 51.431 52.037 0.014 0.000 0.742 497 A CB 0.470 19.475 19.000 0.008 0.000 1.176 497 A HN 0.835 nan 8.150 nan 0.000 0.444 498 D N 1.027 121.432 120.400 0.008 0.000 2.350 498 D HA 0.052 4.692 4.640 -0.000 0.000 0.213 498 D C 0.094 176.391 176.300 -0.005 0.000 1.031 498 D CA 0.906 54.908 54.000 0.003 0.000 0.861 498 D CB 0.417 41.222 40.800 0.008 0.000 0.926 498 D HN 0.788 nan 8.370 nan 0.000 0.520 499 N N -1.144 117.555 118.700 -0.002 0.000 3.020 499 N HA 0.059 4.799 4.740 -0.000 0.000 0.248 499 N C 0.273 175.784 175.510 0.001 0.000 1.480 499 N CA -0.742 52.307 53.050 -0.003 0.000 0.874 499 N CB 1.093 39.582 38.487 0.003 0.000 1.433 499 N HN -0.246 nan 8.380 nan 0.000 0.530 500 L N 0.009 121.235 121.223 0.005 0.000 2.043 500 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 500 L C 1.677 178.553 176.870 0.011 0.000 1.075 500 L CA 2.050 56.896 54.840 0.009 0.000 0.752 500 L CB -0.893 41.176 42.059 0.017 0.000 0.891 500 L HN 0.661 nan 8.230 nan 0.000 0.432 501 E N -0.395 119.812 120.200 0.011 0.000 2.077 501 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 501 E C 2.206 178.814 176.600 0.012 0.000 0.989 501 E CA 1.341 57.749 56.400 0.012 0.000 0.800 501 E CB -0.256 29.452 29.700 0.012 0.000 0.746 501 E HN 0.686 nan 8.360 nan 0.000 0.452 502 Q N 0.035 119.841 119.800 0.011 0.000 2.119 502 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 502 Q C 2.270 178.277 176.000 0.012 0.000 0.972 502 Q CA 0.737 56.547 55.803 0.012 0.000 0.847 502 Q CB -0.146 28.599 28.738 0.012 0.000 0.903 502 Q HN 0.123 nan 8.270 nan 0.000 0.433 503 L N 1.390 122.618 121.223 0.008 0.000 1.989 503 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 503 L C 1.865 178.742 176.870 0.012 0.000 1.071 503 L CA 1.923 56.767 54.840 0.007 0.000 0.749 503 L CB -0.307 41.750 42.059 -0.002 0.000 0.890 503 L HN -0.003 nan 8.230 nan 0.000 0.431 504 K N -0.676 119.732 120.400 0.013 0.000 2.032 504 K HA -0.139 4.180 4.320 -0.000 0.000 0.209 504 K C 2.007 178.617 176.600 0.017 0.000 1.048 504 K CA 1.372 57.669 56.287 0.016 0.000 0.927 504 K CB -0.842 31.668 32.500 0.016 0.000 0.712 504 K HN 0.579 nan 8.250 nan 0.000 0.441 505 G N 0.734 109.543 108.800 0.015 0.000 2.421 505 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 505 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 505 G C 1.551 176.462 174.900 0.018 0.000 1.171 505 G CA 1.002 46.111 45.100 0.016 0.000 0.775 505 G HN 0.198 nan 8.290 nan 0.000 0.543 506 S N 0.534 116.246 115.700 0.020 0.000 2.356 506 S HA -0.030 4.440 4.470 -0.000 0.000 0.223 506 S C 2.310 176.924 174.600 0.024 0.000 1.032 506 S CA 0.909 59.124 58.200 0.024 0.000 1.005 506 S CB -0.342 62.874 63.200 0.026 0.000 0.867 506 S HN 0.291 nan 8.310 nan 0.000 0.449 507 L N 1.296 122.532 121.223 0.023 0.000 2.012 507 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 507 L C 2.898 179.779 176.870 0.018 0.000 1.073 507 L CA 1.614 56.468 54.840 0.022 0.000 0.748 507 L CB -0.525 41.549 42.059 0.026 0.000 0.891 507 L HN 0.413 nan 8.230 nan 0.000 0.431 508 Q N 0.001 119.811 119.800 0.017 0.000 2.096 508 Q HA -0.290 4.050 4.340 -0.000 0.000 0.204 508 Q C 2.130 178.137 176.000 0.012 0.000 0.982 508 Q CA 2.032 57.843 55.803 0.014 0.000 0.850 508 Q CB -0.016 28.730 28.738 0.013 0.000 0.901 508 Q HN 0.467 nan 8.270 nan 0.000 0.422 509 E N -0.662 119.547 120.200 0.015 0.000 2.047 509 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 509 E C 1.850 178.460 176.600 0.017 0.000 0.987 509 E CA 0.890 57.300 56.400 0.016 0.000 0.799 509 E CB -0.144 29.568 29.700 0.020 0.000 0.752 509 E HN 0.474 nan 8.360 nan 0.000 0.449 510 A N 1.054 123.886 122.820 0.020 0.000 1.883 510 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 510 A C 2.082 179.669 177.584 0.005 0.000 1.186 510 A CA 1.124 53.173 52.037 0.019 0.000 0.624 510 A CB -0.689 18.325 19.000 0.024 0.000 0.822 510 A HN 0.285 nan 8.150 nan 0.000 0.444 511 L N 0.818 122.042 121.223 0.001 0.000 2.013 511 L HA -0.190 4.149 4.340 -0.000 0.000 0.212 511 L C 2.896 179.762 176.870 -0.008 0.000 1.073 511 L CA 2.638 57.472 54.840 -0.009 0.000 0.753 511 L CB -1.085 40.971 42.059 -0.006 0.000 0.890 511 L HN 0.626 nan 8.230 nan 0.000 0.432 512 S N -1.529 114.170 115.700 -0.000 0.000 2.562 512 S HA 0.248 4.717 4.470 -0.000 0.000 0.221 512 S C 1.095 175.696 174.600 0.003 0.000 0.975 512 S CA 0.083 58.283 58.200 0.000 0.000 0.918 512 S CB -0.463 62.739 63.200 0.003 0.000 0.772 512 S HN 0.302 nan 8.310 nan 0.000 0.531 513 A N 2.013 124.836 122.820 0.006 0.000 2.483 513 A HA 0.389 4.708 4.320 -0.000 0.000 0.238 513 A C 1.143 178.731 177.584 0.007 0.000 1.070 513 A CA -0.394 51.649 52.037 0.010 0.000 0.770 513 A CB 0.330 19.341 19.000 0.019 0.000 1.008 513 A HN 0.245 nan 8.150 nan 0.000 0.497 514 K N 1.299 121.704 120.400 0.008 0.000 2.400 514 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 514 K C 0.928 177.533 176.600 0.010 0.000 1.033 514 K CA 0.953 57.244 56.287 0.006 0.000 1.021 514 K CB 0.191 32.694 32.500 0.004 0.000 0.808 514 K HN 0.759 nan 8.250 nan 0.000 0.505 515 G N 2.002 110.812 108.800 0.017 0.000 3.140 515 G HA2 0.407 4.367 3.960 -0.000 0.000 0.271 515 G HA3 0.407 4.367 3.960 -0.000 0.000 0.271 515 G C -2.904 172.023 174.900 0.046 0.000 1.370 515 G CA -1.317 43.799 45.100 0.026 0.000 1.014 515 G HN -0.205 nan 8.290 nan 0.000 0.541 516 P HA 0.348 nan 4.420 nan 0.000 0.271 516 P C -0.837 176.558 177.300 0.159 0.000 1.218 516 P CA -0.083 63.105 63.100 0.146 0.000 0.780 516 P CB 1.645 33.496 31.700 0.252 0.000 0.901 517 V N 3.546 123.577 119.914 0.194 0.000 2.808 517 V HA 0.375 4.495 4.120 -0.000 0.000 0.308 517 V C -0.067 176.192 176.094 0.275 0.000 1.099 517 V CA -0.763 61.643 62.300 0.177 0.000 0.920 517 V CB 2.170 34.051 31.823 0.096 0.000 1.014 517 V HN 0.478 nan 8.190 nan 0.000 0.425 518 L N 5.538 126.901 121.223 0.234 0.000 2.322 518 L HA 0.719 5.059 4.340 -0.000 0.000 0.281 518 L C -1.162 175.798 176.870 0.149 0.000 1.014 518 L CA -0.381 54.603 54.840 0.240 0.000 0.815 518 L CB 1.355 43.519 42.059 0.174 0.000 1.247 518 L HN 0.614 nan 8.230 nan 0.000 0.421 519 I N 4.586 125.233 120.570 0.127 0.000 2.382 519 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 519 I C -0.349 175.800 176.117 0.054 0.000 1.002 519 I CA -0.446 60.902 61.300 0.080 0.000 1.135 519 I CB 1.834 39.870 38.000 0.059 0.000 1.288 519 I HN 0.618 nan 8.210 nan 0.000 0.448 520 E N 6.397 126.632 120.200 0.059 0.000 2.105 520 E HA 0.351 4.701 4.350 -0.000 0.000 0.285 520 E C -1.241 175.369 176.600 0.018 0.000 1.055 520 E CA -0.493 55.928 56.400 0.037 0.000 0.843 520 E CB 1.170 30.944 29.700 0.123 0.000 1.067 520 E HN 0.357 nan 8.360 nan 0.000 0.398 521 V N 3.867 123.770 119.914 -0.019 0.000 2.394 521 V HA 0.154 4.274 4.120 -0.000 0.000 0.282 521 V C -0.003 176.078 176.094 -0.022 0.000 1.031 521 V CA -0.719 61.568 62.300 -0.022 0.000 0.881 521 V CB 1.666 33.462 31.823 -0.045 0.000 0.982 521 V HN 0.620 nan 8.190 nan 0.000 0.451 522 S N 3.864 119.557 115.700 -0.011 0.000 2.405 522 S HA 0.386 4.856 4.470 -0.000 0.000 0.291 522 S C 0.497 175.077 174.600 -0.034 0.000 1.137 522 S CA -0.514 57.681 58.200 -0.009 0.000 1.061 522 S CB 0.351 63.550 63.200 -0.001 0.000 1.001 522 S HN 0.977 nan 8.310 nan 0.000 0.507 523 T N -0.457 114.076 114.554 -0.034 0.000 2.952 523 T HA 0.704 5.054 4.350 -0.000 0.000 0.286 523 T C 0.361 175.029 174.700 -0.053 0.000 1.024 523 T CA -0.971 61.096 62.100 -0.055 0.000 1.029 523 T CB 0.952 69.795 68.868 -0.040 0.000 1.094 523 T HN 0.388 nan 8.240 nan 0.000 0.515 524 V N -1.204 118.655 119.914 -0.092 0.000 2.904 524 V HA 0.838 4.958 4.120 -0.000 0.000 0.305 524 V C 0.515 176.611 176.094 0.002 0.000 1.067 524 V CA -0.306 61.946 62.300 -0.080 0.000 1.044 524 V CB 0.036 31.744 31.823 -0.191 0.000 1.050 524 V HN 1.415 nan 8.190 nan 0.000 0.475 525 S N 0.000 115.716 115.700 0.027 0.000 2.498 525 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 525 S CA 0.000 58.239 58.200 0.065 0.000 1.107 525 S CB 0.000 63.238 63.200 0.063 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517