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 2v3w_1_A 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 IMNNGTYGAA RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVSPV 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 0.000 177.665 177.584 0.135 0.000 1.274 2 A CA 0.000 52.109 52.037 0.120 0.000 0.836 2 A CB 0.000 19.091 19.000 0.153 0.000 0.831 3 S N -0.199 115.601 115.700 0.165 0.000 2.672 3 S HA 0.544 5.022 4.470 0.013 0.000 0.276 3 S C 1.062 175.818 174.600 0.259 0.000 1.207 3 S CA -0.003 58.316 58.200 0.198 0.000 1.002 3 S CB 1.199 64.526 63.200 0.212 0.000 0.998 3 S HN 1.439 nan 8.310 nan 0.000 0.542 4 V N 1.709 121.783 119.914 0.266 0.000 2.332 4 V HA -0.222 3.905 4.120 0.013 0.000 0.248 4 V C 2.580 178.972 176.094 0.497 0.000 1.055 4 V CA 2.364 64.839 62.300 0.293 0.000 1.038 4 V CB -1.389 30.532 31.823 0.163 0.000 0.651 4 V HN 1.057 nan 8.190 nan 0.000 0.450 5 H N 0.686 120.070 119.070 0.523 0.000 2.265 5 H HA -0.178 4.385 4.556 0.013 0.000 0.295 5 H C 2.306 177.857 175.328 0.371 0.000 1.084 5 H CA 2.345 58.718 56.048 0.541 0.000 1.261 5 H CB -0.499 29.493 29.762 0.384 0.000 1.360 5 H HN 0.427 nan 8.280 nan 0.000 0.487 6 G N -0.718 108.345 108.800 0.438 0.000 2.418 6 G HA2 -0.228 3.740 3.960 0.013 0.000 0.217 6 G HA3 -0.228 3.740 3.960 0.013 0.000 0.217 6 G C 1.814 176.846 174.900 0.219 0.000 1.158 6 G CA 1.239 46.503 45.100 0.274 0.000 0.771 6 G HN 0.451 nan 8.290 nan 0.000 0.545 7 T N 0.841 115.562 114.554 0.278 0.000 2.788 7 T HA -0.091 4.266 4.350 0.013 0.000 0.268 7 T C 2.624 177.523 174.700 0.333 0.000 1.044 7 T CA 1.729 64.037 62.100 0.347 0.000 1.139 7 T CB -0.371 68.698 68.868 0.334 0.000 0.867 7 T HN 0.281 nan 8.240 nan 0.000 0.454 8 T N 0.795 115.514 114.554 0.275 0.000 2.812 8 T HA -0.031 4.326 4.350 0.013 0.000 0.264 8 T C 1.610 176.314 174.700 0.007 0.000 1.042 8 T CA 0.937 63.161 62.100 0.206 0.000 1.140 8 T CB -0.446 68.638 68.868 0.361 0.000 0.870 8 T HN 0.390 nan 8.240 nan 0.000 0.445 9 Y N 1.357 121.587 120.300 -0.116 0.000 2.274 9 Y HA -0.064 4.494 4.550 0.012 0.000 0.290 9 Y C 2.568 178.373 175.900 -0.158 0.000 1.145 9 Y CA 1.004 58.905 58.100 -0.330 0.000 1.203 9 Y CB -0.206 37.864 38.460 -0.650 0.000 0.984 9 Y HN 0.168 nan 8.280 nan 0.000 0.533 10 E N 0.372 120.574 120.200 0.004 0.000 2.047 10 E HA -0.178 4.180 4.350 0.013 0.000 0.191 10 E C 2.079 178.543 176.600 -0.227 0.000 0.987 10 E CA 0.934 57.207 56.400 -0.212 0.000 0.799 10 E CB -0.614 28.788 29.700 -0.496 0.000 0.752 10 E HN 0.321 nan 8.360 nan 0.000 0.449 11 L N 0.371 121.601 121.223 0.011 0.000 1.990 11 L HA -0.190 4.157 4.340 0.013 0.000 0.213 11 L C 2.249 179.185 176.870 0.110 0.000 1.072 11 L CA 1.831 56.802 54.840 0.218 0.000 0.755 11 L CB -0.696 41.561 42.059 0.331 0.000 0.889 11 L HN 0.284 nan 8.230 nan 0.000 0.432 12 L N -0.767 120.509 121.223 0.087 0.000 1.989 12 L HA -0.278 4.070 4.340 0.013 0.000 0.211 12 L C 2.821 179.764 176.870 0.120 0.000 1.071 12 L CA 1.955 56.851 54.840 0.093 0.000 0.749 12 L CB -0.698 41.403 42.059 0.070 0.000 0.890 12 L HN 0.373 nan 8.230 nan 0.000 0.431 13 R N 0.093 120.716 120.500 0.206 0.000 2.094 13 R HA -0.199 4.149 4.340 0.013 0.000 0.239 13 R C 2.460 178.760 176.300 0.001 0.000 1.137 13 R CA 1.613 57.766 56.100 0.089 0.000 0.943 13 R CB -0.135 30.260 30.300 0.157 0.000 0.850 13 R HN 0.219 nan 8.270 nan 0.000 0.433 14 R N 0.052 120.546 120.500 -0.009 0.000 2.189 14 R HA -0.042 4.306 4.340 0.013 0.000 0.223 14 R C 1.617 177.951 176.300 0.057 0.000 1.092 14 R CA 0.835 56.938 56.100 0.005 0.000 0.989 14 R CB -0.035 30.261 30.300 -0.006 0.000 0.876 14 R HN 0.437 nan 8.270 nan 0.000 0.457 15 Q N -0.567 119.271 119.800 0.063 0.000 2.280 15 Q HA 0.148 4.496 4.340 0.013 0.000 0.202 15 Q C 0.704 176.734 176.000 0.050 0.000 0.903 15 Q CA 0.468 56.313 55.803 0.070 0.000 0.948 15 Q CB 0.980 29.747 28.738 0.048 0.000 1.058 15 Q HN 0.524 nan 8.270 nan 0.000 0.493 16 G N 1.179 109.990 108.800 0.019 0.000 2.157 16 G HA2 -0.255 3.713 3.960 0.013 0.000 0.239 16 G HA3 -0.255 3.713 3.960 0.013 0.000 0.239 16 G C 0.168 175.053 174.900 -0.025 0.000 0.982 16 G CA -0.214 44.885 45.100 -0.001 0.000 0.650 16 G HN 0.340 nan 8.290 nan 0.000 0.527 17 I N 1.685 122.230 120.570 -0.043 0.000 2.395 17 I HA 0.432 4.610 4.170 0.013 0.000 0.289 17 I C 0.694 176.557 176.117 -0.423 0.000 1.023 17 I CA 0.160 61.411 61.300 -0.081 0.000 1.350 17 I CB 1.307 39.318 38.000 0.019 0.000 1.409 17 I HN 0.254 nan 8.210 nan 0.000 0.507 18 D N 1.572 121.700 120.400 -0.454 0.000 2.538 18 D HA 0.088 4.736 4.640 0.013 0.000 0.241 18 D C -0.136 175.873 176.300 -0.485 0.000 1.297 18 D CA -0.051 53.426 54.000 -0.871 0.000 0.804 18 D CB 0.462 40.942 40.800 -0.534 0.000 1.122 18 D HN 0.282 nan 8.370 nan 0.000 0.519 19 T N 0.149 114.578 114.554 -0.209 0.000 2.886 19 T HA 0.591 4.949 4.350 0.013 0.000 0.292 19 T C -0.874 173.797 174.700 -0.049 0.000 1.012 19 T CA -0.615 61.360 62.100 -0.208 0.000 0.982 19 T CB 2.591 71.170 68.868 -0.482 0.000 1.018 19 T HN -0.123 nan 8.240 nan 0.000 0.451 20 V N 3.748 123.639 119.914 -0.039 0.000 2.407 20 V HA 0.504 4.632 4.120 0.013 0.000 0.291 20 V C -1.035 174.832 176.094 -0.377 0.000 1.018 20 V CA -0.894 61.519 62.300 0.188 0.000 0.842 20 V CB 0.782 32.989 31.823 0.641 0.000 0.996 20 V HN 0.801 nan 8.190 nan 0.000 0.426 21 F N 3.042 122.942 119.950 -0.083 0.000 2.410 21 F HA 0.810 5.344 4.527 0.013 0.000 0.349 21 F C 0.917 176.604 175.800 -0.188 0.000 1.117 21 F CA -0.190 57.667 58.000 -0.238 0.000 1.104 21 F CB 1.776 40.684 39.000 -0.153 0.000 1.122 21 F HN 0.607 nan 8.300 nan 0.000 0.483 22 G N 2.311 111.002 108.800 -0.180 0.000 2.677 22 G HA2 0.322 4.290 3.960 0.013 0.000 0.291 22 G HA3 0.322 4.290 3.960 0.013 0.000 0.291 22 G C -2.219 172.755 174.900 0.123 0.000 1.435 22 G CA -0.902 44.216 45.100 0.030 0.000 0.826 22 G HN 0.541 nan 8.290 nan 0.000 0.491 23 N N 1.046 119.859 118.700 0.188 0.000 2.399 23 N HA 0.515 5.263 4.740 0.013 0.000 0.284 23 N C -2.846 172.773 175.510 0.182 0.000 1.025 23 N CA -1.295 51.859 53.050 0.173 0.000 0.885 23 N CB 3.516 42.068 38.487 0.107 0.000 1.339 23 N HN 0.296 nan 8.380 nan 0.000 0.487 24 P HA 0.536 nan 4.420 nan 0.000 0.280 24 P C -0.509 176.745 177.300 -0.077 0.000 1.272 24 P CA -0.135 63.014 63.100 0.082 0.000 0.819 24 P CB 2.057 33.768 31.700 0.017 0.000 1.122 25 G N -1.193 107.523 108.800 -0.140 0.000 2.559 25 G HA2 0.352 4.320 3.960 0.013 0.000 0.291 25 G HA3 0.352 4.320 3.960 0.013 0.000 0.291 25 G C 0.715 175.507 174.900 -0.180 0.000 1.424 25 G CA 0.106 44.916 45.100 -0.483 0.000 0.786 25 G HN 0.416 nan 8.290 nan 0.000 0.485 26 S N 0.300 115.907 115.700 -0.155 0.000 2.381 26 S HA -0.250 4.227 4.470 0.013 0.000 0.230 26 S C 1.770 176.349 174.600 -0.035 0.000 1.052 26 S CA 2.102 60.268 58.200 -0.057 0.000 1.068 26 S CB -0.423 62.767 63.200 -0.017 0.000 0.918 26 S HN 0.474 nan 8.310 nan 0.000 0.448 27 N N 1.858 120.696 118.700 0.230 0.000 2.443 27 N HA -0.003 4.744 4.740 0.013 0.000 0.184 27 N C 1.179 176.875 175.510 0.310 0.000 1.037 27 N CA 1.279 54.507 53.050 0.298 0.000 0.896 27 N CB -0.344 38.358 38.487 0.358 0.000 0.959 27 N HN 0.655 nan 8.380 nan 0.000 0.442 28 E N -0.524 119.828 120.200 0.253 0.000 2.476 28 E HA 0.212 4.569 4.350 0.013 0.000 0.199 28 E C 1.709 178.417 176.600 0.181 0.000 1.021 28 E CA -0.110 56.448 56.400 0.264 0.000 0.907 28 E CB 0.108 29.971 29.700 0.273 0.000 0.974 28 E HN 0.239 nan 8.360 nan 0.000 0.489 29 L N 0.898 122.163 121.223 0.070 0.000 2.093 29 L HA -0.067 4.280 4.340 0.013 0.000 0.208 29 L C -0.698 176.188 176.870 0.027 0.000 1.085 29 L CA 1.133 55.975 54.840 0.003 0.000 0.755 29 L CB -1.286 40.734 42.059 -0.063 0.000 0.904 29 L HN 0.119 nan 8.230 nan 0.000 0.435 30 P HA -0.171 nan 4.420 nan 0.000 0.226 30 P C 1.310 178.676 177.300 0.111 0.000 1.153 30 P CA 1.100 64.301 63.100 0.168 0.000 0.777 30 P CB 0.021 31.956 31.700 0.393 0.000 0.794 31 F N 0.088 119.866 119.950 -0.286 0.000 2.219 31 F HA 0.062 4.596 4.527 0.012 0.000 0.294 31 F C 1.732 177.513 175.800 -0.033 0.000 1.086 31 F CA 1.096 58.708 58.000 -0.648 0.000 1.330 31 F CB -0.670 37.694 39.000 -1.059 0.000 1.047 31 F HN -0.306 nan 8.300 nan 0.000 0.495 32 L N 1.115 122.287 121.223 -0.085 0.000 2.395 32 L HA -0.052 4.296 4.340 0.013 0.000 0.218 32 L C 1.093 177.958 176.870 -0.009 0.000 1.130 32 L CA 0.274 55.080 54.840 -0.057 0.000 0.826 32 L CB -0.872 41.138 42.059 -0.081 0.000 0.941 32 L HN 0.084 nan 8.230 nan 0.000 0.451 33 K N 0.008 120.397 120.400 -0.018 0.000 2.319 33 K HA -0.032 4.296 4.320 0.013 0.000 0.265 33 K C -0.321 176.239 176.600 -0.066 0.000 1.000 33 K CA -0.357 55.896 56.287 -0.056 0.000 0.943 33 K CB 0.416 32.864 32.500 -0.086 0.000 0.950 33 K HN -0.057 nan 8.250 nan 0.000 0.485 34 D N 0.618 120.962 120.400 -0.093 0.000 2.697 34 D HA -0.226 4.421 4.640 0.013 0.000 0.235 34 D C -0.803 175.402 176.300 -0.160 0.000 1.167 34 D CA 0.863 54.793 54.000 -0.117 0.000 0.656 34 D CB -1.310 39.388 40.800 -0.169 0.000 1.025 34 D HN 0.492 nan 8.370 nan 0.000 0.419 35 F N 1.090 120.867 119.950 -0.288 0.000 2.571 35 F HA 0.217 4.752 4.527 0.013 0.000 0.384 35 F C -1.393 174.187 175.800 -0.366 0.000 1.058 35 F CA -1.591 56.169 58.000 -0.400 0.000 1.200 35 F CB 0.431 39.273 39.000 -0.264 0.000 1.077 35 F HN -0.119 nan 8.300 nan 0.000 0.558 36 P HA -0.004 nan 4.420 nan 0.000 0.268 36 P C 0.174 177.319 177.300 -0.258 0.000 1.208 36 P CA 0.164 62.917 63.100 -0.578 0.000 0.777 36 P CB 0.548 31.804 31.700 -0.741 0.000 0.875 37 E N 0.789 120.919 120.200 -0.118 0.000 2.285 37 E HA -0.132 4.225 4.350 0.013 0.000 0.194 37 E C 0.894 177.496 176.600 0.005 0.000 0.997 37 E CA 0.798 57.183 56.400 -0.026 0.000 0.845 37 E CB -0.011 29.673 29.700 -0.026 0.000 0.782 37 E HN 0.598 nan 8.360 nan 0.000 0.491 38 D N -0.253 120.154 120.400 0.011 0.000 2.339 38 D HA -0.051 4.596 4.640 0.013 0.000 0.217 38 D C 0.018 176.317 176.300 -0.002 0.000 1.050 38 D CA 0.001 54.008 54.000 0.012 0.000 0.856 38 D CB -0.068 40.732 40.800 0.001 0.000 0.922 38 D HN -0.050 nan 8.370 nan 0.000 0.518 39 F N 1.021 120.847 119.950 -0.207 0.000 2.470 39 F HA 0.449 4.984 4.527 0.013 0.000 0.329 39 F C 0.796 176.632 175.800 0.060 0.000 1.072 39 F CA -1.178 56.706 58.000 -0.193 0.000 0.989 39 F CB 1.672 40.327 39.000 -0.576 0.000 1.193 39 F HN -0.299 nan 8.300 nan 0.000 0.481 40 R N 1.850 122.517 120.500 0.278 0.000 2.589 40 R HA 0.431 4.778 4.340 0.013 0.000 0.293 40 R C -2.092 174.428 176.300 0.367 0.000 0.963 40 R CA -0.618 55.638 56.100 0.261 0.000 0.905 40 R CB 1.206 31.501 30.300 -0.008 0.000 1.144 40 R HN 0.711 nan 8.270 nan 0.000 0.459 41 Y N 5.274 125.633 120.300 0.099 0.000 2.341 41 Y HA 0.439 4.997 4.550 0.013 0.000 0.338 41 Y C -0.917 174.853 175.900 -0.217 0.000 0.965 41 Y CA -0.975 57.051 58.100 -0.123 0.000 1.108 41 Y CB 1.265 39.454 38.460 -0.452 0.000 1.180 41 Y HN 0.421 nan 8.280 nan 0.000 0.458 42 I N 8.258 128.353 120.570 -0.791 0.000 2.354 42 I HA 0.191 4.369 4.170 0.013 0.000 0.286 42 I C -0.809 175.015 176.117 -0.488 0.000 1.007 42 I CA -0.810 60.031 61.300 -0.765 0.000 1.167 42 I CB 1.025 38.489 38.000 -0.894 0.000 1.320 42 I HN 0.510 nan 8.210 nan 0.000 0.458 43 L N 6.753 128.009 121.223 0.056 0.000 2.305 43 L HA 0.737 5.085 4.340 0.013 0.000 0.281 43 L C 0.072 177.151 176.870 0.348 0.000 1.085 43 L CA 0.298 55.308 54.840 0.282 0.000 0.813 43 L CB 1.133 43.531 42.059 0.566 0.000 1.157 43 L HN 0.711 nan 8.230 nan 0.000 0.436 44 A N 4.932 127.880 122.820 0.214 0.000 2.384 44 A HA 0.595 4.922 4.320 0.013 0.000 0.312 44 A C 0.356 177.985 177.584 0.075 0.000 1.113 44 A CA -0.645 51.510 52.037 0.198 0.000 0.779 44 A CB 1.103 20.180 19.000 0.128 0.000 1.307 44 A HN 0.867 nan 8.150 nan 0.000 0.436 45 L N -0.358 120.856 121.223 -0.015 0.000 2.509 45 L HA 0.167 4.514 4.340 0.013 0.000 0.222 45 L C 0.953 177.788 176.870 -0.058 0.000 1.123 45 L CA 0.728 55.489 54.840 -0.130 0.000 0.856 45 L CB 0.089 41.992 42.059 -0.260 0.000 0.985 45 L HN 0.721 nan 8.230 nan 0.000 0.456 46 Q N -0.542 119.250 119.800 -0.013 0.000 2.462 46 Q HA 0.150 4.497 4.340 0.013 0.000 0.285 46 Q C -0.472 175.550 176.000 0.036 0.000 1.035 46 Q CA -0.265 55.546 55.803 0.013 0.000 0.799 46 Q CB 2.379 31.123 28.738 0.011 0.000 1.452 46 Q HN -0.029 nan 8.270 nan 0.000 0.404 47 E N 0.665 120.894 120.200 0.048 0.000 2.216 47 E HA 0.036 4.394 4.350 0.013 0.000 0.192 47 E C 1.428 178.058 176.600 0.050 0.000 0.988 47 E CA 1.210 57.645 56.400 0.058 0.000 0.834 47 E CB 0.101 29.843 29.700 0.070 0.000 0.772 47 E HN 0.640 nan 8.360 nan 0.000 0.479 48 A N 0.286 123.135 122.820 0.049 0.000 1.933 48 A HA -0.214 4.113 4.320 0.013 0.000 0.218 48 A C 2.236 179.844 177.584 0.039 0.000 1.175 48 A CA 1.409 53.477 52.037 0.051 0.000 0.628 48 A CB -0.887 18.154 19.000 0.067 0.000 0.814 48 A HN 0.422 nan 8.150 nan 0.000 0.444 49 C N -1.407 117.913 119.300 0.033 0.000 2.446 49 C HA -0.011 4.456 4.460 0.013 0.000 0.277 49 C C 2.649 177.649 174.990 0.017 0.000 1.275 49 C CA 0.664 59.694 59.018 0.019 0.000 1.727 49 C CB -1.357 26.393 27.740 0.017 0.000 2.010 49 C HN 0.437 nan 8.230 nan 0.000 0.486 50 V N 1.214 121.150 119.914 0.037 0.000 2.252 50 V HA -0.232 3.895 4.120 0.013 0.000 0.249 50 V C 2.476 178.565 176.094 -0.008 0.000 1.056 50 V CA 2.390 64.719 62.300 0.048 0.000 1.022 50 V CB -0.750 31.115 31.823 0.071 0.000 0.641 50 V HN 0.479 nan 8.190 nan 0.000 0.445 51 V N 0.563 120.474 119.914 -0.005 0.000 2.453 51 V HA -0.105 4.023 4.120 0.013 0.000 0.247 51 V C 2.593 178.653 176.094 -0.058 0.000 1.048 51 V CA 1.870 64.153 62.300 -0.028 0.000 1.049 51 V CB -1.282 30.553 31.823 0.019 0.000 0.672 51 V HN 0.620 nan 8.190 nan 0.000 0.457 52 G N 0.247 109.023 108.800 -0.040 0.000 2.446 52 G HA2 -0.235 3.732 3.960 0.013 0.000 0.217 52 G HA3 -0.235 3.732 3.960 0.013 0.000 0.217 52 G C 1.570 176.354 174.900 -0.192 0.000 1.168 52 G CA 1.147 46.196 45.100 -0.084 0.000 0.771 52 G HN 0.485 nan 8.290 nan 0.000 0.551 53 I N 1.365 121.831 120.570 -0.174 0.000 2.179 53 I HA -0.162 4.016 4.170 0.013 0.000 0.242 53 I C 3.315 179.146 176.117 -0.476 0.000 1.088 53 I CA 1.019 62.190 61.300 -0.215 0.000 1.357 53 I CB -0.281 37.682 38.000 -0.062 0.000 1.051 53 I HN 0.242 nan 8.210 nan 0.000 0.409 54 A N 0.280 122.646 122.820 -0.756 0.000 1.902 54 A HA -0.290 4.037 4.320 0.013 0.000 0.217 54 A C 2.041 179.376 177.584 -0.416 0.000 1.181 54 A CA 2.226 53.603 52.037 -1.100 0.000 0.623 54 A CB -0.657 17.860 19.000 -0.804 0.000 0.818 54 A HN 0.423 nan 8.150 nan 0.000 0.443 55 D N -0.399 119.868 120.400 -0.222 0.000 2.092 55 D HA -0.085 4.562 4.640 0.013 0.000 0.193 55 D C 2.114 178.362 176.300 -0.086 0.000 0.994 55 D CA 1.760 55.725 54.000 -0.057 0.000 0.828 55 D CB -0.703 40.150 40.800 0.087 0.000 0.963 55 D HN 0.295 nan 8.370 nan 0.000 0.450 56 G N -0.901 107.780 108.800 -0.199 0.000 2.476 56 G HA2 -0.340 3.627 3.960 0.013 0.000 0.218 56 G HA3 -0.340 3.627 3.960 0.013 0.000 0.218 56 G C 1.719 176.490 174.900 -0.216 0.000 1.164 56 G CA 1.112 46.029 45.100 -0.306 0.000 0.768 56 G HN 0.391 nan 8.290 nan 0.000 0.560 57 Y N 1.885 122.023 120.300 -0.269 0.000 2.145 57 Y HA -0.022 4.536 4.550 0.012 0.000 0.286 57 Y C 2.986 178.828 175.900 -0.097 0.000 1.145 57 Y CA 1.611 59.614 58.100 -0.162 0.000 1.148 57 Y CB -0.332 38.027 38.460 -0.168 0.000 0.981 57 Y HN 0.258 nan 8.280 nan 0.000 0.507 58 A N -0.081 122.750 122.820 0.018 0.000 1.902 58 A HA -0.222 4.106 4.320 0.013 0.000 0.217 58 A C 2.109 179.679 177.584 -0.023 0.000 1.181 58 A CA 1.852 53.902 52.037 0.021 0.000 0.623 58 A CB -0.677 18.355 19.000 0.054 0.000 0.818 58 A HN 0.646 nan 8.150 nan 0.000 0.443 59 Q N -0.696 119.081 119.800 -0.039 0.000 2.046 59 Q HA -0.099 4.249 4.340 0.013 0.000 0.200 59 Q C 2.494 178.506 176.000 0.020 0.000 0.975 59 Q CA 1.356 57.170 55.803 0.018 0.000 0.836 59 Q CB -0.376 28.369 28.738 0.012 0.000 0.896 59 Q HN 0.669 nan 8.270 nan 0.000 0.428 60 A N 1.306 124.057 122.820 -0.115 0.000 1.877 60 A HA -0.194 4.133 4.320 0.013 0.000 0.216 60 A C 2.263 179.790 177.584 -0.096 0.000 1.186 60 A CA 1.947 53.944 52.037 -0.068 0.000 0.620 60 A CB -0.634 18.268 19.000 -0.163 0.000 0.822 60 A HN 0.459 nan 8.150 nan 0.000 0.443 61 S N -1.521 114.055 115.700 -0.207 0.000 2.489 61 S HA -0.013 4.464 4.470 0.013 0.000 0.228 61 S C 0.936 175.489 174.600 -0.078 0.000 0.995 61 S CA 0.645 58.721 58.200 -0.206 0.000 0.934 61 S CB -0.339 62.630 63.200 -0.386 0.000 0.771 61 S HN 0.534 nan 8.310 nan 0.000 0.522 62 R N 0.437 120.919 120.500 -0.031 0.000 3.525 62 R HA -0.115 4.233 4.340 0.013 0.000 0.276 62 R C -0.829 175.484 176.300 0.022 0.000 1.116 62 R CA 0.885 56.994 56.100 0.015 0.000 0.745 62 R CB -1.966 28.349 30.300 0.025 0.000 1.185 62 R HN 0.544 nan 8.270 nan 0.000 0.454 63 K N -0.578 119.836 120.400 0.023 0.000 2.512 63 K HA 0.426 4.753 4.320 0.013 0.000 0.263 63 K C -2.736 173.921 176.600 0.095 0.000 0.966 63 K CA -2.300 54.021 56.287 0.057 0.000 0.851 63 K CB 2.393 34.924 32.500 0.053 0.000 1.395 63 K HN -0.272 nan 8.250 nan 0.000 0.440 64 P HA 0.019 nan 4.420 nan 0.000 0.266 64 P C -1.433 175.997 177.300 0.216 0.000 1.195 64 P CA -0.049 63.138 63.100 0.145 0.000 0.768 64 P CB 0.697 32.480 31.700 0.138 0.000 0.838 65 A N 3.073 126.024 122.820 0.218 0.000 2.340 65 A HA 0.658 4.986 4.320 0.013 0.000 0.331 65 A C -1.296 176.474 177.584 0.311 0.000 1.140 65 A CA -0.519 51.694 52.037 0.294 0.000 0.801 65 A CB 0.469 19.561 19.000 0.153 0.000 1.234 65 A HN 0.487 nan 8.150 nan 0.000 0.469 66 F N 2.109 122.223 119.950 0.273 0.000 2.427 66 F HA 0.725 5.260 4.527 0.013 0.000 0.346 66 F C -0.641 175.333 175.800 0.291 0.000 1.120 66 F CA -0.658 57.488 58.000 0.243 0.000 1.033 66 F CB 0.964 40.108 39.000 0.240 0.000 1.126 66 F HN 0.420 nan 8.300 nan 0.000 0.462 67 I N 5.581 125.935 120.570 -0.361 0.000 2.569 67 I HA 0.304 4.481 4.170 0.013 0.000 0.296 67 I C -0.834 175.093 176.117 -0.316 0.000 1.028 67 I CA -0.711 60.504 61.300 -0.141 0.000 1.082 67 I CB 2.041 40.002 38.000 -0.064 0.000 1.264 67 I HN 0.571 nan 8.210 nan 0.000 0.429 68 N N 7.095 125.798 118.700 0.004 0.000 2.531 68 N HA 0.532 5.280 4.740 0.013 0.000 0.268 68 N C -1.613 173.980 175.510 0.137 0.000 1.023 68 N CA -0.351 52.748 53.050 0.081 0.000 0.896 68 N CB 1.164 39.852 38.487 0.335 0.000 1.233 68 N HN 0.469 nan 8.380 nan 0.000 0.512 69 L N 1.439 122.721 121.223 0.099 0.000 2.286 69 L HA 0.370 4.718 4.340 0.013 0.000 0.265 69 L C -0.271 176.713 176.870 0.190 0.000 1.012 69 L CA -1.043 53.886 54.840 0.147 0.000 0.818 69 L CB 1.559 43.695 42.059 0.128 0.000 1.337 69 L HN 0.529 nan 8.230 nan 0.000 0.438 70 H N 0.712 119.840 119.070 0.097 0.000 2.818 70 H HA 0.328 4.891 4.556 0.012 0.000 0.269 70 H C 0.286 175.671 175.328 0.095 0.000 1.277 70 H CA 0.759 56.864 56.048 0.096 0.000 1.290 70 H CB 0.348 30.160 29.762 0.082 0.000 1.479 70 H HN 0.705 nan 8.280 nan 0.000 0.507 71 S N 2.795 118.381 115.700 -0.189 0.000 3.469 71 S HA -0.371 4.106 4.470 0.013 0.000 0.628 71 S C 1.713 176.291 174.600 -0.037 0.000 2.687 71 S CA 1.633 59.733 58.200 -0.167 0.000 3.829 71 S CB -1.382 61.602 63.200 -0.359 0.000 0.258 71 S HN 1.040 nan 8.310 nan 0.000 1.222 72 A N 0.393 123.185 122.820 -0.046 0.000 1.898 72 A HA 0.462 4.790 4.320 0.013 0.000 0.214 72 A C 2.621 180.205 177.584 0.000 0.000 1.183 72 A CA 2.129 54.162 52.037 -0.007 0.000 0.622 72 A CB -1.392 17.597 19.000 -0.019 0.000 0.824 72 A HN 1.726 nan 8.150 nan 0.000 0.444 73 A N -0.348 122.475 122.820 0.004 0.000 1.930 73 A HA 0.170 4.497 4.320 0.013 0.000 0.217 73 A C 2.337 179.955 177.584 0.056 0.000 1.175 73 A CA 1.847 53.904 52.037 0.033 0.000 0.627 73 A CB -1.229 17.806 19.000 0.057 0.000 0.815 73 A HN 0.635 nan 8.150 nan 0.000 0.443 74 G N -1.092 107.756 108.800 0.080 0.000 2.404 74 G HA2 -0.104 3.864 3.960 0.013 0.000 0.214 74 G HA3 -0.104 3.864 3.960 0.013 0.000 0.214 74 G C 1.584 176.536 174.900 0.088 0.000 1.189 74 G CA 1.572 46.737 45.100 0.109 0.000 0.789 74 G HN 0.401 nan 8.290 nan 0.000 0.533 75 T N 1.140 115.750 114.554 0.092 0.000 2.684 75 T HA -0.096 4.261 4.350 0.013 0.000 0.267 75 T C 2.480 177.185 174.700 0.009 0.000 1.036 75 T CA 1.636 63.788 62.100 0.087 0.000 1.148 75 T CB -0.685 68.252 68.868 0.116 0.000 0.863 75 T HN 0.358 nan 8.240 nan 0.000 0.436 76 G N 1.922 110.720 108.800 -0.004 0.000 2.442 76 G HA2 -0.260 3.707 3.960 0.013 0.000 0.219 76 G HA3 -0.260 3.707 3.960 0.013 0.000 0.219 76 G C 1.637 176.538 174.900 0.001 0.000 1.141 76 G CA 0.683 45.771 45.100 -0.020 0.000 0.763 76 G HN 0.393 nan 8.290 nan 0.000 0.554 77 N N 1.082 119.797 118.700 0.025 0.000 2.289 77 N HA -0.034 4.713 4.740 0.013 0.000 0.184 77 N C 2.069 177.600 175.510 0.036 0.000 1.016 77 N CA 1.097 54.168 53.050 0.035 0.000 0.872 77 N CB -0.227 38.289 38.487 0.047 0.000 0.973 77 N HN 0.341 nan 8.380 nan 0.000 0.433 78 A N -0.350 122.489 122.820 0.033 0.000 2.275 78 A HA 0.164 4.491 4.320 0.013 0.000 0.212 78 A C 1.816 179.409 177.584 0.016 0.000 1.201 78 A CA 0.026 52.083 52.037 0.034 0.000 0.843 78 A CB -0.038 18.991 19.000 0.048 0.000 0.873 78 A HN 0.020 nan 8.150 nan 0.000 0.492 79 M N -0.380 119.216 119.600 -0.007 0.000 2.229 79 M HA -0.060 4.428 4.480 0.013 0.000 0.264 79 M C 2.149 178.435 176.300 -0.023 0.000 1.063 79 M CA 1.340 56.619 55.300 -0.035 0.000 1.114 79 M CB -1.519 31.043 32.600 -0.062 0.000 1.387 79 M HN 0.477 nan 8.290 nan 0.000 0.420 80 G N -0.169 108.628 108.800 -0.005 0.000 2.402 80 G HA2 -0.057 3.910 3.960 0.013 0.000 0.216 80 G HA3 -0.057 3.910 3.960 0.013 0.000 0.216 80 G C 1.631 176.532 174.900 0.002 0.000 1.162 80 G CA 1.005 46.101 45.100 -0.006 0.000 0.777 80 G HN 0.531 nan 8.290 nan 0.000 0.539 81 A N 0.374 123.211 122.820 0.027 0.000 1.969 81 A HA 0.175 4.503 4.320 0.013 0.000 0.218 81 A C 2.364 179.980 177.584 0.053 0.000 1.169 81 A CA 0.910 52.979 52.037 0.054 0.000 0.635 81 A CB -0.300 18.739 19.000 0.066 0.000 0.810 81 A HN 0.356 nan 8.150 nan 0.000 0.445 82 L N 0.328 121.575 121.223 0.040 0.000 2.201 82 L HA -0.150 4.197 4.340 0.013 0.000 0.212 82 L C 3.013 179.931 176.870 0.080 0.000 1.105 82 L CA 1.364 56.240 54.840 0.059 0.000 0.775 82 L CB -0.394 41.683 42.059 0.030 0.000 0.913 82 L HN 0.658 nan 8.230 nan 0.000 0.440 83 S N -0.194 115.526 115.700 0.033 0.000 2.368 83 S HA -0.183 4.295 4.470 0.013 0.000 0.225 83 S C 1.775 176.411 174.600 0.060 0.000 1.030 83 S CA 1.224 59.450 58.200 0.043 0.000 0.999 83 S CB -0.408 62.780 63.200 -0.020 0.000 0.844 83 S HN 0.419 nan 8.310 nan 0.000 0.459 84 N N 2.783 121.472 118.700 -0.018 0.000 2.069 84 N HA -0.013 4.734 4.740 0.013 0.000 0.191 84 N C 2.096 177.568 175.510 -0.063 0.000 1.031 84 N CA 1.655 54.637 53.050 -0.114 0.000 0.852 84 N CB -1.073 37.286 38.487 -0.214 0.000 1.018 84 N HN 0.637 nan 8.380 nan 0.000 0.423 85 A N 1.418 124.255 122.820 0.028 0.000 1.940 85 A HA -0.172 4.156 4.320 0.013 0.000 0.219 85 A C 2.077 179.717 177.584 0.095 0.000 1.176 85 A CA 1.108 53.184 52.037 0.066 0.000 0.631 85 A CB -1.089 17.973 19.000 0.104 0.000 0.814 85 A HN 0.613 nan 8.150 nan 0.000 0.446 86 W N 0.991 122.269 121.300 -0.036 0.000 2.333 86 W HA -0.224 4.443 4.660 0.012 0.000 0.316 86 W C 1.502 177.955 176.519 -0.110 0.000 1.215 86 W CA 2.086 59.412 57.345 -0.033 0.000 1.278 86 W CB -0.393 29.047 29.460 -0.033 0.000 1.154 86 W HN 0.400 nan 8.180 nan 0.000 0.486 87 N N 0.310 118.942 118.700 -0.112 0.000 2.331 87 N HA -0.141 4.606 4.740 0.013 0.000 0.180 87 N C 1.778 177.053 175.510 -0.392 0.000 1.019 87 N CA 1.978 54.859 53.050 -0.282 0.000 0.881 87 N CB -0.527 37.895 38.487 -0.107 0.000 0.972 87 N HN 0.133 nan 8.380 nan 0.000 0.435 88 S N -1.233 114.310 115.700 -0.262 0.000 2.605 88 S HA 0.062 4.539 4.470 0.013 0.000 0.217 88 S C -0.139 174.393 174.600 -0.113 0.000 0.958 88 S CA -0.273 57.821 58.200 -0.176 0.000 0.919 88 S CB -0.683 62.469 63.200 -0.080 0.000 0.780 88 S HN 0.406 nan 8.310 nan 0.000 0.507 89 H N 0.900 119.889 119.070 -0.136 0.000 2.713 89 H HA -0.131 4.432 4.556 0.013 0.000 0.311 89 H C -0.645 174.659 175.328 -0.041 0.000 1.175 89 H CA 0.383 56.350 56.048 -0.134 0.000 1.143 89 H CB -2.130 27.556 29.762 -0.127 0.000 1.434 89 H HN 0.367 nan 8.280 nan 0.000 0.418 90 S N 2.312 118.062 115.700 0.084 0.000 2.474 90 S HA 0.141 4.618 4.470 0.013 0.000 0.276 90 S C -1.854 172.801 174.600 0.092 0.000 1.227 90 S CA -1.103 57.149 58.200 0.087 0.000 1.050 90 S CB 1.017 64.265 63.200 0.079 0.000 0.939 90 S HN 0.200 nan 8.310 nan 0.000 0.490 91 P HA 0.189 nan 4.420 nan 0.000 0.256 91 P C -1.009 176.352 177.300 0.102 0.000 1.688 91 P CA 0.017 63.173 63.100 0.092 0.000 1.162 91 P CB -0.246 31.503 31.700 0.082 0.000 1.870 92 L N 4.363 125.650 121.223 0.106 0.000 2.287 92 L HA 0.467 4.815 4.340 0.013 0.000 0.287 92 L C 0.645 177.574 176.870 0.099 0.000 1.022 92 L CA -0.931 53.964 54.840 0.092 0.000 0.814 92 L CB 1.547 43.651 42.059 0.075 0.000 1.217 92 L HN 0.138 nan 8.230 nan 0.000 0.420 93 I N 4.426 125.040 120.570 0.073 0.000 2.307 93 I HA 0.180 4.358 4.170 0.013 0.000 0.287 93 I C -0.225 175.790 176.117 -0.170 0.000 1.054 93 I CA -0.441 60.877 61.300 0.030 0.000 1.218 93 I CB 1.189 39.267 38.000 0.130 0.000 1.398 93 I HN 0.220 nan 8.210 nan 0.000 0.475 94 V N 5.367 125.239 119.914 -0.070 0.000 2.334 94 V HA 0.221 4.349 4.120 0.013 0.000 0.267 94 V C 0.677 176.630 176.094 -0.234 0.000 1.040 94 V CA -0.475 61.763 62.300 -0.102 0.000 0.866 94 V CB 0.925 32.831 31.823 0.137 0.000 1.019 94 V HN 0.799 nan 8.190 nan 0.000 0.468 95 T N 2.522 116.839 114.554 -0.396 0.000 2.837 95 T HA 0.814 5.172 4.350 0.013 0.000 0.285 95 T C -0.214 174.329 174.700 -0.261 0.000 0.984 95 T CA -0.396 61.488 62.100 -0.361 0.000 1.049 95 T CB 1.791 70.459 68.868 -0.334 0.000 0.947 95 T HN 0.886 nan 8.240 nan 0.000 0.472 96 A N 2.338 124.978 122.820 -0.301 0.000 2.371 96 A HA 0.837 5.165 4.320 0.013 0.000 0.311 96 A C 0.457 178.017 177.584 -0.040 0.000 1.068 96 A CA -0.719 51.251 52.037 -0.111 0.000 0.744 96 A CB 1.195 20.170 19.000 -0.041 0.000 1.239 96 A HN 1.301 nan 8.150 nan 0.000 0.435 97 G N 0.408 109.254 108.800 0.078 0.000 2.442 97 G HA2 0.473 4.441 3.960 0.013 0.000 0.249 97 G HA3 0.473 4.441 3.960 0.013 0.000 0.249 97 G C -0.214 174.745 174.900 0.098 0.000 1.263 97 G CA -0.002 45.198 45.100 0.167 0.000 0.846 97 G HN 0.862 nan 8.290 nan 0.000 0.555 98 Q N 0.449 120.322 119.800 0.121 0.000 2.348 98 Q HA 0.328 4.676 4.340 0.013 0.000 0.271 98 Q C 0.168 176.235 176.000 0.112 0.000 1.067 98 Q CA -0.727 55.109 55.803 0.055 0.000 0.839 98 Q CB 1.220 29.948 28.738 -0.017 0.000 1.354 98 Q HN 0.490 nan 8.270 nan 0.000 0.447 99 Q N 0.643 120.479 119.800 0.060 0.000 2.469 99 Q HA 0.003 4.351 4.340 0.013 0.000 0.279 99 Q C -0.445 175.410 176.000 -0.243 0.000 1.097 99 Q CA 0.539 56.357 55.803 0.025 0.000 0.951 99 Q CB 0.430 29.174 28.738 0.011 0.000 1.297 99 Q HN 0.840 nan 8.270 nan 0.000 0.465 100 T N 1.387 115.580 114.554 -0.600 0.000 2.934 100 T HA -0.029 4.329 4.350 0.013 0.000 0.306 100 T C 1.406 175.928 174.700 -0.296 0.000 1.042 100 T CA 0.174 61.860 62.100 -0.689 0.000 1.145 100 T CB 0.305 68.739 68.868 -0.724 0.000 0.982 100 T HN 0.484 nan 8.240 nan 0.000 0.544 101 R N 3.338 123.696 120.500 -0.237 0.000 2.117 101 R HA -0.163 4.184 4.340 0.013 0.000 0.243 101 R C 2.567 178.801 176.300 -0.110 0.000 1.143 101 R CA 1.532 57.544 56.100 -0.148 0.000 0.968 101 R CB -0.556 29.668 30.300 -0.127 0.000 0.863 101 R HN 0.766 nan 8.270 nan 0.000 0.444 102 A N 0.209 122.965 122.820 -0.108 0.000 2.125 102 A HA -0.089 4.238 4.320 0.013 0.000 0.219 102 A C 1.778 179.329 177.584 -0.054 0.000 1.156 102 A CA 1.187 53.182 52.037 -0.069 0.000 0.671 102 A CB -0.096 18.871 19.000 -0.055 0.000 0.794 102 A HN 0.220 nan 8.150 nan 0.000 0.459 103 M N -1.344 118.217 119.600 -0.065 0.000 2.347 103 M HA 0.303 4.791 4.480 0.013 0.000 0.324 103 M C 1.002 177.281 176.300 -0.036 0.000 1.028 103 M CA 0.069 55.347 55.300 -0.037 0.000 0.988 103 M CB 0.256 32.846 32.600 -0.016 0.000 1.528 103 M HN 0.328 nan 8.290 nan 0.000 0.550 104 I N 0.125 120.663 120.570 -0.053 0.000 2.202 104 I HA -0.149 4.028 4.170 0.013 0.000 0.242 104 I C 2.468 178.563 176.117 -0.036 0.000 1.091 104 I CA 1.569 62.840 61.300 -0.048 0.000 1.368 104 I CB -0.560 37.401 38.000 -0.065 0.000 1.058 104 I HN 0.374 nan 8.210 nan 0.000 0.410 105 G N 1.019 109.798 108.800 -0.036 0.000 2.446 105 G HA2 -0.229 3.738 3.960 0.013 0.000 0.217 105 G HA3 -0.229 3.738 3.960 0.013 0.000 0.217 105 G C 1.669 176.556 174.900 -0.021 0.000 1.168 105 G CA 1.281 46.364 45.100 -0.028 0.000 0.771 105 G HN 0.396 nan 8.290 nan 0.000 0.551 106 V N -1.877 118.027 119.914 -0.017 0.000 3.305 106 V HA 0.159 4.286 4.120 0.013 0.000 0.269 106 V C 0.670 176.760 176.094 -0.007 0.000 1.157 106 V CA 1.105 63.399 62.300 -0.010 0.000 1.157 106 V CB -0.903 30.917 31.823 -0.005 0.000 0.772 106 V HN 0.568 nan 8.190 nan 0.000 0.498 107 E N -0.144 120.050 120.200 -0.010 0.000 2.252 107 E HA -0.196 4.161 4.350 0.013 0.000 0.199 107 E C 0.618 177.219 176.600 0.003 0.000 1.352 107 E CA 0.197 56.593 56.400 -0.007 0.000 0.682 107 E CB -1.708 27.987 29.700 -0.009 0.000 1.142 107 E HN 1.073 nan 8.360 nan 0.000 0.367 108 A N 0.955 123.780 122.820 0.009 0.000 2.492 108 A HA 0.224 4.552 4.320 0.013 0.000 0.236 108 A C 0.569 178.171 177.584 0.030 0.000 1.078 108 A CA -0.152 51.899 52.037 0.024 0.000 0.773 108 A CB 0.332 19.354 19.000 0.036 0.000 1.023 108 A HN 0.404 nan 8.150 nan 0.000 0.504 109 L N 0.670 121.916 121.223 0.039 0.000 2.593 109 L HA 0.070 4.418 4.340 0.013 0.000 0.287 109 L C 0.674 177.579 176.870 0.057 0.000 1.243 109 L CA 1.353 56.220 54.840 0.046 0.000 0.890 109 L CB -0.475 41.617 42.059 0.054 0.000 1.134 109 L HN 0.707 nan 8.230 nan 0.000 0.502 110 L N 2.434 123.680 121.223 0.039 0.000 4.351 110 L HA -0.228 4.119 4.340 0.013 0.000 0.410 110 L C 0.225 177.093 176.870 -0.004 0.000 1.150 110 L CA 0.541 55.386 54.840 0.010 0.000 0.961 110 L CB -2.429 39.660 42.059 0.050 0.000 2.130 110 L HN 0.783 nan 8.230 nan 0.000 0.787 111 T N 0.156 114.713 114.554 0.004 0.000 2.779 111 T HA 0.138 4.496 4.350 0.013 0.000 0.296 111 T C 0.697 175.386 174.700 -0.019 0.000 0.938 111 T CA -0.135 61.961 62.100 -0.008 0.000 1.119 111 T CB 0.787 69.650 68.868 -0.009 0.000 0.891 111 T HN 0.163 nan 8.240 nan 0.000 0.526 112 N N 4.103 122.790 118.700 -0.022 0.000 2.555 112 N HA 0.109 4.856 4.740 0.013 0.000 0.244 112 N C -0.455 175.044 175.510 -0.019 0.000 1.114 112 N CA -0.273 52.768 53.050 -0.015 0.000 0.963 112 N CB 0.097 38.590 38.487 0.009 0.000 1.276 112 N HN 0.294 nan 8.380 nan 0.000 0.510 113 V N 3.173 123.073 119.914 -0.024 0.000 2.529 113 V HA 0.014 4.142 4.120 0.013 0.000 0.292 113 V C 0.821 176.894 176.094 -0.035 0.000 1.028 113 V CA -0.242 62.040 62.300 -0.030 0.000 1.074 113 V CB 0.511 32.317 31.823 -0.027 0.000 0.958 113 V HN 0.700 nan 8.190 nan 0.000 0.481 114 D N 3.324 123.700 120.400 -0.041 0.000 2.699 114 D HA -0.232 4.416 4.640 0.013 0.000 0.239 114 D C 1.213 177.486 176.300 -0.046 0.000 1.136 114 D CA 0.922 54.894 54.000 -0.048 0.000 0.668 114 D CB -0.630 40.142 40.800 -0.047 0.000 1.060 114 D HN 0.813 nan 8.370 nan 0.000 0.429 115 A N 0.639 123.442 122.820 -0.028 0.000 1.873 115 A HA 0.024 4.351 4.320 0.013 0.000 0.218 115 A C 2.549 180.153 177.584 0.033 0.000 1.193 115 A CA 2.815 54.869 52.037 0.028 0.000 0.629 115 A CB -0.862 18.179 19.000 0.069 0.000 0.826 115 A HN 0.866 nan 8.150 nan 0.000 0.447 116 A N -0.115 122.707 122.820 0.003 0.000 1.978 116 A HA -0.218 4.110 4.320 0.013 0.000 0.220 116 A C 1.829 179.352 177.584 -0.102 0.000 1.170 116 A CA 1.954 53.977 52.037 -0.022 0.000 0.636 116 A CB -0.642 18.311 19.000 -0.078 0.000 0.810 116 A HN 0.557 nan 8.150 nan 0.000 0.448 117 N N -0.543 118.097 118.700 -0.101 0.000 2.396 117 N HA -0.058 4.689 4.740 0.013 0.000 0.180 117 N C 1.434 176.850 175.510 -0.157 0.000 1.028 117 N CA 0.852 53.831 53.050 -0.117 0.000 0.893 117 N CB -0.410 38.024 38.487 -0.087 0.000 0.967 117 N HN 0.435 nan 8.380 nan 0.000 0.440 118 L N 2.477 123.589 121.223 -0.185 0.000 1.970 118 L HA -0.044 4.304 4.340 0.013 0.000 0.212 118 L C -0.925 175.771 176.870 -0.290 0.000 1.071 118 L CA 2.102 56.811 54.840 -0.219 0.000 0.751 118 L CB -1.488 40.441 42.059 -0.216 0.000 0.889 118 L HN 0.113 nan 8.230 nan 0.000 0.432 119 P HA -0.106 nan 4.420 nan 0.000 0.229 119 P C 0.070 177.202 177.300 -0.280 0.000 1.160 119 P CA 0.551 63.407 63.100 -0.407 0.000 0.777 119 P CB -0.103 31.216 31.700 -0.636 0.000 0.814 120 R N 1.818 122.170 120.500 -0.245 0.000 2.623 120 R HA 0.088 4.436 4.340 0.013 0.000 0.271 120 R C -1.329 174.838 176.300 -0.222 0.000 1.043 120 R CA -0.756 55.212 56.100 -0.220 0.000 1.083 120 R CB -0.229 29.970 30.300 -0.168 0.000 0.974 120 R HN 0.153 nan 8.270 nan 0.000 0.436 121 P HA 0.082 nan 4.420 nan 0.000 0.254 121 P C -0.007 176.907 177.300 -0.644 0.000 1.494 121 P CA 0.386 63.268 63.100 -0.364 0.000 0.961 121 P CB 0.313 31.823 31.700 -0.316 0.000 1.493 122 L N 0.081 120.989 121.223 -0.525 0.000 2.728 122 L HA 0.204 4.551 4.340 0.013 0.000 0.235 122 L C 0.530 177.240 176.870 -0.268 0.000 1.197 122 L CA -0.359 54.127 54.840 -0.589 0.000 0.992 122 L CB 0.133 42.025 42.059 -0.279 0.000 1.263 122 L HN -0.128 nan 8.230 nan 0.000 0.484 123 V N -5.319 114.454 119.914 -0.234 0.000 2.925 123 V HA 0.377 4.505 4.120 0.013 0.000 0.311 123 V C 0.625 176.888 176.094 0.280 0.000 1.104 123 V CA -1.069 61.313 62.300 0.136 0.000 0.954 123 V CB 2.173 34.054 31.823 0.096 0.000 1.022 123 V HN 0.045 nan 8.190 nan 0.000 0.427 124 K N 1.081 121.773 120.400 0.486 0.000 2.057 124 K HA 0.047 4.375 4.320 0.013 0.000 0.206 124 K C -0.093 176.744 176.600 0.396 0.000 1.050 124 K CA 1.927 58.489 56.287 0.459 0.000 0.935 124 K CB 0.147 32.859 32.500 0.353 0.000 0.715 124 K HN 0.744 nan 8.250 nan 0.000 0.439 125 W N -0.229 121.161 121.300 0.150 0.000 3.138 125 W HA 0.370 5.038 4.660 0.012 0.000 0.331 125 W C -1.558 175.052 176.519 0.151 0.000 1.166 125 W CA -0.597 56.817 57.345 0.115 0.000 1.212 125 W CB 2.153 31.661 29.460 0.081 0.000 1.399 125 W HN -0.345 nan 8.180 nan 0.000 0.514 126 S N 4.648 120.074 115.700 -0.458 0.000 2.614 126 S HA 0.668 5.145 4.470 0.013 0.000 0.275 126 S C -2.321 171.958 174.600 -0.536 0.000 1.161 126 S CA -0.345 57.666 58.200 -0.316 0.000 0.969 126 S CB 0.582 63.721 63.200 -0.102 0.000 1.059 126 S HN 0.445 nan 8.310 nan 0.000 0.482 127 Y N 2.212 122.124 120.300 -0.646 0.000 2.521 127 Y HA 0.494 5.052 4.550 0.012 0.000 0.332 127 Y C -1.283 174.435 175.900 -0.303 0.000 1.121 127 Y CA -0.724 56.999 58.100 -0.627 0.000 1.037 127 Y CB 1.602 39.343 38.460 -1.199 0.000 1.330 127 Y HN 0.696 nan 8.280 nan 0.000 0.452 128 E N 6.870 126.632 120.200 -0.730 0.000 2.191 128 E HA 0.508 4.866 4.350 0.013 0.000 0.263 128 E C -2.799 173.251 176.600 -0.917 0.000 0.881 128 E CA -2.531 53.514 56.400 -0.592 0.000 0.757 128 E CB 1.645 31.139 29.700 -0.343 0.000 1.147 128 E HN 0.284 nan 8.360 nan 0.000 0.414 129 P HA 0.056 nan 4.420 nan 0.000 0.269 129 P C -0.260 176.907 177.300 -0.222 0.000 1.209 129 P CA 0.055 62.978 63.100 -0.295 0.000 0.776 129 P CB 1.100 32.787 31.700 -0.020 0.000 0.876 130 A N 1.465 124.224 122.820 -0.103 0.000 2.169 130 A HA 0.200 4.527 4.320 0.013 0.000 0.212 130 A C 0.700 178.250 177.584 -0.057 0.000 1.153 130 A CA 1.146 53.139 52.037 -0.074 0.000 0.756 130 A CB -0.547 18.445 19.000 -0.014 0.000 0.813 130 A HN 0.644 nan 8.150 nan 0.000 0.471 131 S N -4.023 111.650 115.700 -0.046 0.000 2.565 131 S HA 0.614 5.091 4.470 0.013 0.000 0.269 131 S C 0.655 175.216 174.600 -0.064 0.000 1.153 131 S CA -0.030 58.140 58.200 -0.050 0.000 0.835 131 S CB 1.068 64.253 63.200 -0.024 0.000 1.122 131 S HN 0.966 nan 8.310 nan 0.000 0.462 132 A N 1.509 124.280 122.820 -0.081 0.000 1.908 132 A HA 0.202 4.529 4.320 0.013 0.000 0.218 132 A C 2.270 179.818 177.584 -0.060 0.000 1.181 132 A CA 2.152 54.123 52.037 -0.109 0.000 0.627 132 A CB -1.563 17.383 19.000 -0.091 0.000 0.818 132 A HN 1.717 nan 8.150 nan 0.000 0.445 133 A N -0.863 121.946 122.820 -0.017 0.000 2.067 133 A HA -0.114 4.214 4.320 0.013 0.000 0.219 133 A C 1.943 179.548 177.584 0.035 0.000 1.158 133 A CA 1.542 53.587 52.037 0.014 0.000 0.661 133 A CB -0.396 18.613 19.000 0.014 0.000 0.801 133 A HN 0.667 nan 8.150 nan 0.000 0.452 134 E N -0.124 120.100 120.200 0.040 0.000 2.285 134 E HA -0.040 4.317 4.350 0.013 0.000 0.194 134 E C 1.639 178.328 176.600 0.149 0.000 0.997 134 E CA 0.653 57.116 56.400 0.106 0.000 0.845 134 E CB -0.028 29.750 29.700 0.130 0.000 0.782 134 E HN 0.345 nan 8.360 nan 0.000 0.491 135 V N 1.840 121.787 119.914 0.055 0.000 2.282 135 V HA -0.230 3.898 4.120 0.013 0.000 0.249 135 V C -0.792 175.371 176.094 0.115 0.000 1.057 135 V CA 2.265 64.581 62.300 0.026 0.000 1.032 135 V CB -1.347 30.355 31.823 -0.201 0.000 0.645 135 V HN 0.301 nan 8.190 nan 0.000 0.447 136 P HA -0.197 nan 4.420 nan 0.000 0.215 136 P C 1.711 179.112 177.300 0.168 0.000 1.153 136 P CA 1.677 64.881 63.100 0.173 0.000 0.853 136 P CB -0.237 31.566 31.700 0.171 0.000 0.788 137 H N -0.051 119.067 119.070 0.080 0.000 2.321 137 H HA -0.080 4.483 4.556 0.013 0.000 0.300 137 H C 1.773 177.149 175.328 0.080 0.000 1.087 137 H CA 1.790 57.874 56.048 0.061 0.000 1.319 137 H CB -0.336 29.454 29.762 0.048 0.000 1.379 137 H HN -0.034 nan 8.280 nan 0.000 0.501 138 A N 1.053 123.978 122.820 0.175 0.000 1.940 138 A HA -0.215 4.112 4.320 0.013 0.000 0.219 138 A C 2.471 180.158 177.584 0.172 0.000 1.176 138 A CA 1.933 54.124 52.037 0.256 0.000 0.631 138 A CB -0.690 18.607 19.000 0.495 0.000 0.814 138 A HN 0.492 nan 8.150 nan 0.000 0.446 139 M N -0.159 119.530 119.600 0.148 0.000 2.132 139 M HA -0.068 4.420 4.480 0.013 0.000 0.263 139 M C 2.282 178.589 176.300 0.011 0.000 1.065 139 M CA 2.065 57.448 55.300 0.138 0.000 1.122 139 M CB -0.644 32.063 32.600 0.178 0.000 1.365 139 M HN 0.403 nan 8.290 nan 0.000 0.411 140 S N -0.165 115.504 115.700 -0.052 0.000 2.370 140 S HA -0.177 4.300 4.470 0.013 0.000 0.226 140 S C 2.078 176.533 174.600 -0.243 0.000 1.033 140 S CA 1.622 59.740 58.200 -0.136 0.000 1.011 140 S CB -0.192 62.970 63.200 -0.063 0.000 0.852 140 S HN 0.622 nan 8.310 nan 0.000 0.457 141 R N 0.665 120.937 120.500 -0.379 0.000 2.073 141 R HA 0.002 4.349 4.340 0.013 0.000 0.234 141 R C 2.722 178.633 176.300 -0.649 0.000 1.134 141 R CA 1.371 57.096 56.100 -0.626 0.000 0.952 141 R CB -0.677 28.999 30.300 -1.041 0.000 0.850 141 R HN 0.511 nan 8.270 nan 0.000 0.433 142 A N 1.287 123.848 122.820 -0.431 0.000 1.877 142 A HA -0.163 4.164 4.320 0.013 0.000 0.216 142 A C 2.178 179.731 177.584 -0.052 0.000 1.186 142 A CA 1.304 53.299 52.037 -0.070 0.000 0.620 142 A CB -0.557 18.597 19.000 0.257 0.000 0.822 142 A HN 0.189 nan 8.150 nan 0.000 0.443 143 I N -1.001 119.507 120.570 -0.102 0.000 2.118 143 I HA -0.303 3.874 4.170 0.013 0.000 0.241 143 I C 2.514 178.523 176.117 -0.180 0.000 1.070 143 I CA 1.601 62.817 61.300 -0.139 0.000 1.327 143 I CB -0.525 37.319 38.000 -0.259 0.000 1.034 143 I HN 0.413 nan 8.210 nan 0.000 0.405 144 H N -0.329 118.690 119.070 -0.085 0.000 2.395 144 H HA -0.045 4.519 4.556 0.013 0.000 0.299 144 H C 2.324 177.579 175.328 -0.122 0.000 1.070 144 H CA 1.127 57.110 56.048 -0.108 0.000 1.356 144 H CB -0.180 29.492 29.762 -0.151 0.000 1.401 144 H HN 0.250 nan 8.280 nan 0.000 0.524 145 M N 0.441 119.994 119.600 -0.078 0.000 2.117 145 M HA -0.058 4.429 4.480 0.013 0.000 0.262 145 M C 2.583 178.895 176.300 0.020 0.000 1.065 145 M CA 1.122 56.375 55.300 -0.079 0.000 1.114 145 M CB -1.050 31.439 32.600 -0.185 0.000 1.361 145 M HN 0.224 nan 8.290 nan 0.000 0.408 146 A N -0.618 122.232 122.820 0.049 0.000 1.902 146 A HA -0.115 4.213 4.320 0.013 0.000 0.217 146 A C 2.452 180.069 177.584 0.055 0.000 1.181 146 A CA 2.173 54.258 52.037 0.080 0.000 0.623 146 A CB -0.712 18.348 19.000 0.101 0.000 0.818 146 A HN 0.508 nan 8.150 nan 0.000 0.443 147 S N -0.772 114.956 115.700 0.046 0.000 2.446 147 S HA 0.165 4.643 4.470 0.013 0.000 0.225 147 S C 0.906 175.516 174.600 0.018 0.000 1.016 147 S CA 0.207 58.435 58.200 0.047 0.000 0.943 147 S CB -0.236 63.009 63.200 0.075 0.000 0.786 147 S HN 0.540 nan 8.310 nan 0.000 0.508 148 M N 1.773 121.374 119.600 0.001 0.000 2.238 148 M HA 0.271 4.758 4.480 0.013 0.000 0.347 148 M C 0.275 176.540 176.300 -0.059 0.000 1.173 148 M CA -0.409 54.869 55.300 -0.036 0.000 1.147 148 M CB 0.469 33.039 32.600 -0.050 0.000 1.547 148 M HN 0.155 nan 8.290 nan 0.000 0.455 149 A N 5.065 127.838 122.820 -0.079 0.000 2.477 149 A HA 0.414 4.741 4.320 0.013 0.000 0.246 149 A C -2.245 175.257 177.584 -0.137 0.000 1.078 149 A CA -1.158 50.803 52.037 -0.126 0.000 0.770 149 A CB -0.689 18.244 19.000 -0.113 0.000 1.011 149 A HN 0.504 nan 8.150 nan 0.000 0.494 150 P HA 0.144 nan 4.420 nan 0.000 0.282 150 P C -0.530 176.597 177.300 -0.288 0.000 1.274 150 P CA -0.104 62.756 63.100 -0.400 0.000 0.770 150 P CB 0.575 31.937 31.700 -0.563 0.000 0.867 151 Q N 1.326 120.992 119.800 -0.223 0.000 2.479 151 Q HA 0.475 4.822 4.340 0.013 0.000 0.267 151 Q C 0.713 176.713 176.000 -0.002 0.000 1.071 151 Q CA 0.513 56.279 55.803 -0.062 0.000 0.935 151 Q CB 0.399 29.133 28.738 -0.008 0.000 1.295 151 Q HN 0.738 nan 8.270 nan 0.000 0.476 152 G N 1.103 109.939 108.800 0.060 0.000 2.356 152 G HA2 0.300 4.268 3.960 0.013 0.000 0.294 152 G HA3 0.300 4.268 3.960 0.013 0.000 0.294 152 G C -3.109 171.893 174.900 0.169 0.000 1.423 152 G CA -0.934 44.230 45.100 0.107 0.000 0.806 152 G HN 0.362 nan 8.290 nan 0.000 0.527 153 P HA 0.454 nan 4.420 nan 0.000 0.275 153 P C 0.082 177.544 177.300 0.270 0.000 1.227 153 P CA -0.182 63.052 63.100 0.224 0.000 0.781 153 P CB 1.570 33.402 31.700 0.220 0.000 0.906 154 V N 0.996 121.063 119.914 0.255 0.000 3.074 154 V HA 0.677 4.805 4.120 0.013 0.000 0.314 154 V C -1.523 174.766 176.094 0.324 0.000 1.117 154 V CA -1.108 61.391 62.300 0.332 0.000 1.014 154 V CB 2.219 34.282 31.823 0.401 0.000 1.057 154 V HN 0.485 nan 8.190 nan 0.000 0.438 155 Y N 2.272 122.663 120.300 0.151 0.000 2.386 155 Y HA 0.806 5.363 4.550 0.013 0.000 0.334 155 Y C -1.397 174.514 175.900 0.019 0.000 1.002 155 Y CA -1.051 57.076 58.100 0.045 0.000 1.068 155 Y CB 2.037 40.486 38.460 -0.017 0.000 1.203 155 Y HN 0.893 nan 8.280 nan 0.000 0.443 156 L N 5.267 126.250 121.223 -0.399 0.000 2.376 156 L HA 0.603 4.950 4.340 0.013 0.000 0.275 156 L C -1.037 175.516 176.870 -0.527 0.000 0.987 156 L CA -0.184 54.489 54.840 -0.278 0.000 0.828 156 L CB 1.903 43.975 42.059 0.020 0.000 1.249 156 L HN 0.573 nan 8.230 nan 0.000 0.409 157 S N 3.911 119.361 115.700 -0.417 0.000 2.442 157 S HA 0.819 5.297 4.470 0.013 0.000 0.297 157 S C -1.022 173.472 174.600 -0.177 0.000 1.131 157 S CA -0.435 57.581 58.200 -0.306 0.000 1.092 157 S CB 0.802 63.895 63.200 -0.179 0.000 0.998 157 S HN 0.440 nan 8.310 nan 0.000 0.478 158 V N 7.903 127.756 119.914 -0.102 0.000 2.482 158 V HA 0.411 4.539 4.120 0.013 0.000 0.295 158 V C -2.440 173.631 176.094 -0.039 0.000 1.026 158 V CA -2.010 60.230 62.300 -0.101 0.000 0.856 158 V CB 1.700 33.480 31.823 -0.073 0.000 1.001 158 V HN 0.708 nan 8.190 nan 0.000 0.424 159 P HA 0.008 nan 4.420 nan 0.000 0.265 159 P C 0.137 177.411 177.300 -0.042 0.000 1.193 159 P CA 0.106 63.146 63.100 -0.101 0.000 0.765 159 P CB 0.217 31.812 31.700 -0.175 0.000 0.823 160 Y N 2.368 122.726 120.300 0.096 0.000 2.516 160 Y HA -0.071 4.487 4.550 0.013 0.000 0.291 160 Y C 1.385 177.416 175.900 0.219 0.000 1.131 160 Y CA 0.870 59.129 58.100 0.265 0.000 1.281 160 Y CB -1.257 37.377 38.460 0.289 0.000 1.013 160 Y HN 0.274 nan 8.280 nan 0.000 0.554 161 D N -0.370 120.025 120.400 -0.008 0.000 2.363 161 D HA -0.152 4.496 4.640 0.013 0.000 0.220 161 D C 0.635 176.940 176.300 0.007 0.000 0.994 161 D CA 0.738 54.761 54.000 0.038 0.000 0.890 161 D CB -0.292 40.434 40.800 -0.123 0.000 0.906 161 D HN 0.357 nan 8.370 nan 0.000 0.530 162 D N 0.453 120.768 120.400 -0.141 0.000 2.183 162 D HA -0.085 4.563 4.640 0.013 0.000 0.203 162 D C 1.666 177.870 176.300 -0.160 0.000 0.969 162 D CA 0.589 54.435 54.000 -0.257 0.000 0.842 162 D CB -0.477 40.019 40.800 -0.507 0.000 0.957 162 D HN 0.441 nan 8.370 nan 0.000 0.484 163 W N 1.415 122.834 121.300 0.198 0.000 2.381 163 W HA -0.084 4.584 4.660 0.013 0.000 0.301 163 W C 1.865 178.511 176.519 0.211 0.000 1.205 163 W CA 0.329 57.831 57.345 0.262 0.000 1.285 163 W CB -0.171 29.512 29.460 0.371 0.000 1.133 163 W HN -0.133 nan 8.180 nan 0.000 0.521 164 D N 0.103 120.709 120.400 0.343 0.000 2.312 164 D HA -0.060 4.588 4.640 0.013 0.000 0.211 164 D C 0.933 177.322 176.300 0.149 0.000 0.964 164 D CA 0.910 55.035 54.000 0.208 0.000 0.877 164 D CB -0.240 40.655 40.800 0.159 0.000 0.924 164 D HN -0.039 nan 8.370 nan 0.000 0.515 165 K N 1.421 121.897 120.400 0.126 0.000 2.180 165 K HA 0.081 4.409 4.320 0.013 0.000 0.251 165 K C -0.045 176.611 176.600 0.092 0.000 1.014 165 K CA -0.335 56.000 56.287 0.080 0.000 0.913 165 K CB 0.388 32.910 32.500 0.036 0.000 1.008 165 K HN -0.077 nan 8.250 nan 0.000 0.490 166 D N 0.752 121.194 120.400 0.071 0.000 2.383 166 D HA 0.151 4.799 4.640 0.013 0.000 0.252 166 D C -0.029 176.317 176.300 0.076 0.000 1.166 166 D CA 0.190 54.235 54.000 0.075 0.000 0.879 166 D CB 0.721 41.555 40.800 0.057 0.000 1.164 166 D HN 0.447 nan 8.370 nan 0.000 0.462 167 A N 2.353 125.233 122.820 0.099 0.000 2.304 167 A HA 0.188 4.516 4.320 0.013 0.000 0.271 167 A C 0.284 177.914 177.584 0.077 0.000 1.091 167 A CA -0.549 51.547 52.037 0.099 0.000 0.812 167 A CB 0.454 19.539 19.000 0.141 0.000 1.056 167 A HN 0.465 nan 8.150 nan 0.000 0.489 168 D N 1.197 121.634 120.400 0.062 0.000 2.383 168 D HA 0.230 4.877 4.640 0.013 0.000 0.252 168 D C -1.528 174.808 176.300 0.059 0.000 1.166 168 D CA -1.610 52.419 54.000 0.048 0.000 0.879 168 D CB 1.012 41.829 40.800 0.027 0.000 1.164 168 D HN 0.111 nan 8.370 nan 0.000 0.462 169 P HA -0.140 nan 4.420 nan 0.000 0.217 169 P C 0.946 178.334 177.300 0.147 0.000 1.148 169 P CA 0.936 64.098 63.100 0.103 0.000 0.828 169 P CB 0.251 32.005 31.700 0.090 0.000 0.783 170 Q N -0.978 118.866 119.800 0.074 0.000 2.515 170 Q HA 0.051 4.399 4.340 0.013 0.000 0.212 170 Q C 1.667 177.584 176.000 -0.137 0.000 0.970 170 Q CA 0.693 56.497 55.803 0.003 0.000 0.941 170 Q CB -0.619 28.151 28.738 0.053 0.000 0.998 170 Q HN 0.269 nan 8.270 nan 0.000 0.518 171 S N 0.433 116.066 115.700 -0.112 0.000 2.555 171 S HA -0.093 4.385 4.470 0.013 0.000 0.230 171 S C 1.534 175.817 174.600 -0.528 0.000 0.978 171 S CA 0.399 58.487 58.200 -0.187 0.000 0.934 171 S CB -0.275 62.887 63.200 -0.063 0.000 0.766 171 S HN 0.594 nan 8.310 nan 0.000 0.533 172 H N 0.416 119.148 119.070 -0.564 0.000 2.457 172 H HA -0.006 4.557 4.556 0.013 0.000 0.294 172 H C 1.352 176.284 175.328 -0.661 0.000 1.064 172 H CA 1.202 56.678 56.048 -0.952 0.000 1.330 172 H CB -0.630 28.878 29.762 -0.424 0.000 1.395 172 H HN 0.471 nan 8.280 nan 0.000 0.541 173 H N 1.119 119.709 119.070 -0.800 0.000 2.489 173 H HA -0.024 4.540 4.556 0.013 0.000 0.295 173 H C 2.471 177.681 175.328 -0.197 0.000 1.082 173 H CA 1.022 56.824 56.048 -0.409 0.000 1.295 173 H CB 0.241 29.772 29.762 -0.386 0.000 1.380 173 H HN 0.402 nan 8.280 nan 0.000 0.548 174 L N -0.491 120.647 121.223 -0.143 0.000 2.156 174 L HA -0.131 4.216 4.340 0.013 0.000 0.208 174 L C 2.220 179.179 176.870 0.148 0.000 1.095 174 L CA 0.437 55.280 54.840 0.005 0.000 0.770 174 L CB -0.466 41.593 42.059 -0.001 0.000 0.914 174 L HN 0.073 nan 8.230 nan 0.000 0.439 175 F N 0.542 120.563 119.950 0.118 0.000 2.095 175 F HA -0.234 4.301 4.527 0.013 0.000 0.298 175 F C 1.883 177.753 175.800 0.116 0.000 1.104 175 F CA 1.146 59.213 58.000 0.111 0.000 1.232 175 F CB -0.567 38.497 39.000 0.107 0.000 0.987 175 F HN 0.137 nan 8.300 nan 0.000 0.475 176 D N -0.636 119.952 120.400 0.313 0.000 2.462 176 D HA 0.068 4.715 4.640 0.013 0.000 0.221 176 D C 0.272 176.693 176.300 0.201 0.000 1.173 176 D CA -0.064 54.072 54.000 0.227 0.000 0.831 176 D CB 0.038 40.952 40.800 0.190 0.000 1.001 176 D HN 0.088 nan 8.370 nan 0.000 0.499 177 R N 1.166 121.791 120.500 0.208 0.000 2.502 177 R HA 0.018 4.366 4.340 0.013 0.000 0.292 177 R C 0.425 176.840 176.300 0.192 0.000 0.998 177 R CA 0.457 56.649 56.100 0.153 0.000 1.056 177 R CB 0.400 30.775 30.300 0.125 0.000 0.939 177 R HN 0.240 nan 8.270 nan 0.000 0.411 178 H N 2.824 121.902 119.070 0.014 0.000 2.481 178 H HA 0.315 4.879 4.556 0.013 0.000 0.333 178 H C -1.185 174.085 175.328 -0.098 0.000 1.066 178 H CA -0.772 55.278 56.048 0.004 0.000 1.209 178 H CB 1.276 31.052 29.762 0.023 0.000 1.445 178 H HN 0.199 nan 8.280 nan 0.000 0.488 179 V N 4.134 123.684 119.914 -0.606 0.000 2.495 179 V HA 0.187 4.315 4.120 0.013 0.000 0.298 179 V C 0.069 175.793 176.094 -0.617 0.000 1.031 179 V CA -0.583 61.391 62.300 -0.545 0.000 0.871 179 V CB 1.603 33.139 31.823 -0.478 0.000 0.988 179 V HN 0.739 nan 8.190 nan 0.000 0.432 180 S N 2.389 117.836 115.700 -0.421 0.000 2.473 180 S HA 0.518 4.995 4.470 0.013 0.000 0.307 180 S C 0.419 174.936 174.600 -0.138 0.000 1.094 180 S CA -0.172 57.877 58.200 -0.252 0.000 1.070 180 S CB 1.453 64.578 63.200 -0.126 0.000 1.019 180 S HN 0.942 nan 8.310 nan 0.000 0.480 181 S N 2.437 118.081 115.700 -0.094 0.000 2.711 181 S HA 0.213 4.691 4.470 0.013 0.000 0.247 181 S C 0.162 174.736 174.600 -0.044 0.000 1.079 181 S CA -0.480 57.678 58.200 -0.069 0.000 1.050 181 S CB 0.403 63.560 63.200 -0.072 0.000 0.885 181 S HN 0.463 nan 8.310 nan 0.000 0.498 182 S N 2.535 118.218 115.700 -0.028 0.000 3.940 182 S HA 0.484 4.962 4.470 0.013 0.000 0.210 182 S C 0.116 174.710 174.600 -0.010 0.000 1.419 182 S CA -0.418 57.776 58.200 -0.009 0.000 0.912 182 S CB -0.974 62.235 63.200 0.015 0.000 1.489 182 S HN 0.676 nan 8.310 nan 0.000 0.469 183 V N 2.495 122.398 119.914 -0.018 0.000 2.960 183 V HA 0.991 5.119 4.120 0.013 0.000 0.315 183 V C -0.772 175.313 176.094 -0.015 0.000 1.087 183 V CA -1.365 60.925 62.300 -0.017 0.000 0.982 183 V CB 1.910 33.718 31.823 -0.025 0.000 1.039 183 V HN 0.709 nan 8.190 nan 0.000 0.437 184 R N 2.174 122.667 120.500 -0.012 0.000 2.799 184 R HA 0.769 5.116 4.340 0.013 0.000 0.270 184 R C -1.005 175.289 176.300 -0.010 0.000 1.010 184 R CA -1.006 55.088 56.100 -0.010 0.000 0.916 184 R CB 0.639 30.936 30.300 -0.005 0.000 1.228 184 R HN 0.835 nan 8.270 nan 0.000 0.469 185 L N 2.065 123.283 121.223 -0.009 0.000 2.514 185 L HA 0.154 4.501 4.340 0.013 0.000 0.280 185 L C -0.333 176.533 176.870 -0.006 0.000 1.223 185 L CA 0.491 55.325 54.840 -0.009 0.000 0.864 185 L CB -0.195 41.859 42.059 -0.008 0.000 1.118 185 L HN 0.921 nan 8.230 nan 0.000 0.494 186 N N 2.034 120.730 118.700 -0.007 0.000 2.305 186 N HA -0.074 4.674 4.740 0.013 0.000 0.232 186 N C 0.477 175.985 175.510 -0.003 0.000 1.274 186 N CA 0.159 53.206 53.050 -0.005 0.000 0.870 186 N CB 0.234 38.718 38.487 -0.006 0.000 1.105 186 N HN 0.620 nan 8.380 nan 0.000 0.436 187 D N -0.330 120.068 120.400 -0.002 0.000 2.126 187 D HA -0.271 4.377 4.640 0.013 0.000 0.190 187 D C 1.577 177.877 176.300 -0.000 0.000 1.001 187 D CA 1.532 55.532 54.000 -0.000 0.000 0.841 187 D CB -0.378 40.423 40.800 0.000 0.000 0.949 187 D HN 0.798 nan 8.370 nan 0.000 0.446 188 Q N 0.261 120.060 119.800 -0.001 0.000 2.020 188 Q HA -0.158 4.189 4.340 0.013 0.000 0.202 188 Q C 1.283 177.283 176.000 -0.000 0.000 0.982 188 Q CA 1.487 57.290 55.803 -0.000 0.000 0.838 188 Q CB 0.131 28.868 28.738 -0.001 0.000 0.899 188 Q HN 0.168 nan 8.270 nan 0.000 0.423 189 D N 0.373 120.772 120.400 -0.002 0.000 2.224 189 D HA -0.110 4.537 4.640 0.013 0.000 0.205 189 D C 1.886 178.185 176.300 -0.001 0.000 0.965 189 D CA 0.386 54.384 54.000 -0.002 0.000 0.852 189 D CB 0.016 40.813 40.800 -0.004 0.000 0.947 189 D HN 0.220 nan 8.370 nan 0.000 0.494 190 L N 1.323 122.545 121.223 -0.001 0.000 2.093 190 L HA -0.116 4.232 4.340 0.013 0.000 0.208 190 L C 1.316 178.188 176.870 0.003 0.000 1.085 190 L CA 1.739 56.580 54.840 0.001 0.000 0.755 190 L CB -0.442 41.617 42.059 0.001 0.000 0.904 190 L HN -0.205 nan 8.230 nan 0.000 0.435 191 D N -0.395 120.007 120.400 0.003 0.000 2.144 191 D HA -0.174 4.474 4.640 0.013 0.000 0.199 191 D C 2.335 178.638 176.300 0.005 0.000 0.984 191 D CA 1.556 55.559 54.000 0.004 0.000 0.834 191 D CB -0.095 40.708 40.800 0.004 0.000 0.955 191 D HN 0.410 nan 8.370 nan 0.000 0.465 192 I N 0.203 120.775 120.570 0.004 0.000 2.226 192 I HA -0.226 3.952 4.170 0.013 0.000 0.245 192 I C 2.261 178.381 176.117 0.005 0.000 1.100 192 I CA 0.459 61.761 61.300 0.004 0.000 1.374 192 I CB -0.095 37.907 38.000 0.002 0.000 1.057 192 I HN 0.029 nan 8.210 nan 0.000 0.413 193 L N 0.538 121.764 121.223 0.004 0.000 2.017 193 L HA -0.138 4.209 4.340 0.013 0.000 0.208 193 L C 2.416 179.291 176.870 0.009 0.000 1.073 193 L CA 1.786 56.630 54.840 0.006 0.000 0.745 193 L CB -0.599 41.462 42.059 0.004 0.000 0.894 193 L HN -0.038 nan 8.230 nan 0.000 0.432 194 V N 0.193 120.112 119.914 0.009 0.000 2.332 194 V HA -0.342 3.786 4.120 0.013 0.000 0.248 194 V C 2.730 178.832 176.094 0.013 0.000 1.055 194 V CA 2.194 64.501 62.300 0.012 0.000 1.038 194 V CB -0.776 31.053 31.823 0.011 0.000 0.651 194 V HN 0.538 nan 8.190 nan 0.000 0.450 195 K N -0.014 120.393 120.400 0.011 0.000 2.057 195 K HA -0.185 4.142 4.320 0.013 0.000 0.207 195 K C 2.182 178.790 176.600 0.013 0.000 1.049 195 K CA 1.587 57.880 56.287 0.011 0.000 0.931 195 K CB -0.274 32.231 32.500 0.009 0.000 0.714 195 K HN 0.455 nan 8.250 nan 0.000 0.440 196 A N 1.106 123.934 122.820 0.013 0.000 1.930 196 A HA -0.096 4.232 4.320 0.013 0.000 0.217 196 A C 2.084 179.679 177.584 0.020 0.000 1.175 196 A CA 1.072 53.118 52.037 0.015 0.000 0.627 196 A CB -0.382 18.626 19.000 0.013 0.000 0.815 196 A HN 0.282 nan 8.150 nan 0.000 0.443 197 L N -0.565 120.669 121.223 0.020 0.000 2.072 197 L HA -0.130 4.217 4.340 0.013 0.000 0.205 197 L C 2.167 179.052 176.870 0.025 0.000 1.079 197 L CA 0.943 55.797 54.840 0.024 0.000 0.752 197 L CB -0.578 41.494 42.059 0.022 0.000 0.906 197 L HN 0.291 nan 8.230 nan 0.000 0.436 198 N N -0.300 118.413 118.700 0.022 0.000 2.205 198 N HA -0.146 4.601 4.740 0.013 0.000 0.186 198 N C 1.847 177.370 175.510 0.021 0.000 1.015 198 N CA 1.415 54.478 53.050 0.021 0.000 0.862 198 N CB -0.171 38.326 38.487 0.017 0.000 0.986 198 N HN 0.168 nan 8.380 nan 0.000 0.429 199 S N -0.162 115.551 115.700 0.020 0.000 2.524 199 S HA 0.260 4.738 4.470 0.013 0.000 0.216 199 S C 0.769 175.383 174.600 0.024 0.000 0.987 199 S CA -0.279 57.932 58.200 0.019 0.000 0.909 199 S CB 0.136 63.346 63.200 0.016 0.000 0.781 199 S HN 0.428 nan 8.310 nan 0.000 0.521 200 A N 2.097 124.935 122.820 0.030 0.000 2.520 200 A HA 0.304 4.631 4.320 0.013 0.000 0.245 200 A C 1.409 179.016 177.584 0.038 0.000 1.072 200 A CA 0.230 52.290 52.037 0.038 0.000 0.761 200 A CB 0.158 19.188 19.000 0.049 0.000 1.004 200 A HN 0.413 nan 8.150 nan 0.000 0.499 201 S N 1.396 117.117 115.700 0.036 0.000 2.439 201 S HA 0.013 4.491 4.470 0.013 0.000 0.224 201 S C 0.702 175.326 174.600 0.041 0.000 1.029 201 S CA 0.862 59.080 58.200 0.030 0.000 0.946 201 S CB -0.090 63.120 63.200 0.017 0.000 0.797 201 S HN 0.734 nan 8.310 nan 0.000 0.504 202 N N 2.416 121.151 118.700 0.060 0.000 2.733 202 N HA 0.426 5.174 4.740 0.013 0.000 0.271 202 N C -3.219 172.434 175.510 0.238 0.000 1.720 202 N CA -1.933 51.176 53.050 0.098 0.000 0.803 202 N CB 1.434 39.917 38.487 -0.006 0.000 1.208 202 N HN 0.212 nan 8.380 nan 0.000 0.498 203 P HA 0.340 nan 4.420 nan 0.000 0.277 203 P C -1.035 176.354 177.300 0.148 0.000 1.240 203 P CA -0.368 62.827 63.100 0.159 0.000 0.798 203 P CB 1.610 33.360 31.700 0.084 0.000 0.979 204 A N 3.031 125.856 122.820 0.008 0.000 2.413 204 A HA 0.775 5.103 4.320 0.013 0.000 0.307 204 A C -0.621 176.944 177.584 -0.032 0.000 1.087 204 A CA -0.905 51.051 52.037 -0.134 0.000 0.750 204 A CB 1.004 19.718 19.000 -0.478 0.000 1.296 204 A HN 0.463 nan 8.150 nan 0.000 0.423 205 I N 1.245 121.802 120.570 -0.022 0.000 2.474 205 I HA 0.486 4.664 4.170 0.013 0.000 0.294 205 I C -0.974 175.155 176.117 0.021 0.000 1.005 205 I CA -0.918 60.369 61.300 -0.022 0.000 1.113 205 I CB 2.147 40.098 38.000 -0.082 0.000 1.289 205 I HN 0.308 nan 8.210 nan 0.000 0.436 206 V N 7.004 126.943 119.914 0.042 0.000 2.487 206 V HA 0.504 4.632 4.120 0.013 0.000 0.298 206 V C -0.234 175.893 176.094 0.055 0.000 1.028 206 V CA -0.544 61.796 62.300 0.067 0.000 0.860 206 V CB 1.851 33.740 31.823 0.111 0.000 0.991 206 V HN 0.468 nan 8.190 nan 0.000 0.427 207 L N 3.838 125.087 121.223 0.043 0.000 2.346 207 L HA 0.924 5.271 4.340 0.013 0.000 0.274 207 L C 0.643 177.559 176.870 0.077 0.000 1.007 207 L CA -0.289 54.590 54.840 0.065 0.000 0.818 207 L CB 2.070 44.179 42.059 0.083 0.000 1.284 207 L HN 0.777 nan 8.230 nan 0.000 0.424 208 G N 0.780 109.629 108.800 0.083 0.000 3.108 208 G HA2 0.541 4.509 3.960 0.013 0.000 0.268 208 G HA3 0.541 4.509 3.960 0.013 0.000 0.268 208 G C -2.267 172.694 174.900 0.102 0.000 1.361 208 G CA -0.890 44.261 45.100 0.084 0.000 1.047 208 G HN 0.386 nan 8.290 nan 0.000 0.540 209 P HA -0.029 nan 4.420 nan 0.000 0.220 209 P C 0.576 177.945 177.300 0.116 0.000 1.148 209 P CA 0.939 64.113 63.100 0.123 0.000 0.803 209 P CB 0.332 32.099 31.700 0.112 0.000 0.782 210 D N -0.408 120.057 120.400 0.108 0.000 2.312 210 D HA -0.053 4.594 4.640 0.013 0.000 0.211 210 D C 2.012 178.358 176.300 0.078 0.000 0.964 210 D CA 0.558 54.618 54.000 0.102 0.000 0.877 210 D CB -0.185 40.674 40.800 0.098 0.000 0.924 210 D HN 0.048 nan 8.370 nan 0.000 0.515 211 V N 1.174 121.137 119.914 0.082 0.000 2.270 211 V HA -0.235 3.893 4.120 0.013 0.000 0.245 211 V C 2.231 178.372 176.094 0.077 0.000 1.043 211 V CA 1.790 64.137 62.300 0.078 0.000 1.014 211 V CB -0.355 31.525 31.823 0.096 0.000 0.645 211 V HN 0.062 nan 8.190 nan 0.000 0.447 212 D N 0.197 120.651 120.400 0.090 0.000 2.117 212 D HA -0.146 4.502 4.640 0.013 0.000 0.197 212 D C 2.127 178.477 176.300 0.084 0.000 0.987 212 D CA 1.596 55.643 54.000 0.078 0.000 0.829 212 D CB -0.192 40.653 40.800 0.075 0.000 0.961 212 D HN 0.359 nan 8.370 nan 0.000 0.460 213 A N 0.282 123.161 122.820 0.099 0.000 1.933 213 A HA 0.013 4.340 4.320 0.013 0.000 0.218 213 A C 2.247 179.872 177.584 0.068 0.000 1.175 213 A CA 2.066 54.162 52.037 0.099 0.000 0.628 213 A CB -0.790 18.275 19.000 0.108 0.000 0.814 213 A HN 0.301 nan 8.150 nan 0.000 0.444 214 A N -1.219 121.634 122.820 0.056 0.000 2.208 214 A HA 0.160 4.487 4.320 0.013 0.000 0.209 214 A C 1.029 178.633 177.584 0.035 0.000 1.161 214 A CA 0.903 52.963 52.037 0.039 0.000 0.782 214 A CB -0.514 18.506 19.000 0.032 0.000 0.816 214 A HN 0.692 nan 8.150 nan 0.000 0.477 215 N N -2.166 116.558 118.700 0.039 0.000 2.727 215 N HA -0.223 4.524 4.740 0.013 0.000 0.249 215 N C 0.434 175.957 175.510 0.021 0.000 1.048 215 N CA 0.989 54.055 53.050 0.027 0.000 0.714 215 N CB -1.383 37.115 38.487 0.020 0.000 0.959 215 N HN 0.580 nan 8.380 nan 0.000 0.544 216 A N -0.665 122.173 122.820 0.030 0.000 2.345 216 A HA 0.197 4.525 4.320 0.013 0.000 0.225 216 A C 1.657 179.262 177.584 0.034 0.000 1.243 216 A CA 0.437 52.492 52.037 0.031 0.000 0.875 216 A CB -0.017 19.006 19.000 0.038 0.000 0.929 216 A HN 0.490 nan 8.150 nan 0.000 0.502 217 N N 1.749 120.463 118.700 0.024 0.000 2.061 217 N HA -0.185 4.562 4.740 0.013 0.000 0.193 217 N C 1.817 177.299 175.510 -0.046 0.000 1.030 217 N CA 1.859 54.913 53.050 0.006 0.000 0.856 217 N CB -0.431 38.038 38.487 -0.031 0.000 1.023 217 N HN 0.464 nan 8.380 nan 0.000 0.424 218 A N 1.005 123.796 122.820 -0.049 0.000 1.902 218 A HA -0.165 4.163 4.320 0.013 0.000 0.217 218 A C 1.766 179.328 177.584 -0.036 0.000 1.181 218 A CA 1.695 53.693 52.037 -0.064 0.000 0.623 218 A CB -0.535 18.439 19.000 -0.043 0.000 0.818 218 A HN 0.177 nan 8.150 nan 0.000 0.443 219 D N -0.715 119.683 120.400 -0.004 0.000 2.178 219 D HA -0.096 4.552 4.640 0.013 0.000 0.202 219 D C 1.899 178.223 176.300 0.040 0.000 0.974 219 D CA 1.201 55.210 54.000 0.015 0.000 0.841 219 D CB -0.237 40.575 40.800 0.020 0.000 0.953 219 D HN 0.451 nan 8.370 nan 0.000 0.478 220 C N 0.165 119.505 119.300 0.067 0.000 2.464 220 C HA -0.004 4.463 4.460 0.013 0.000 0.278 220 C C 2.873 178.004 174.990 0.236 0.000 1.375 220 C CA -0.103 59.003 59.018 0.148 0.000 1.761 220 C CB -0.607 27.261 27.740 0.213 0.000 1.944 220 C HN 0.153 nan 8.230 nan 0.000 0.509 221 V N 1.067 121.019 119.914 0.063 0.000 2.307 221 V HA -0.264 3.863 4.120 0.013 0.000 0.245 221 V C 2.372 178.467 176.094 0.000 0.000 1.045 221 V CA 2.006 64.228 62.300 -0.129 0.000 1.024 221 V CB -0.511 31.053 31.823 -0.432 0.000 0.651 221 V HN 0.540 nan 8.190 nan 0.000 0.449 222 M N -0.955 118.651 119.600 0.011 0.000 2.175 222 M HA -0.136 4.352 4.480 0.013 0.000 0.264 222 M C 2.220 178.555 176.300 0.058 0.000 1.063 222 M CA 1.566 56.888 55.300 0.036 0.000 1.119 222 M CB -0.480 32.132 32.600 0.021 0.000 1.377 222 M HN 0.357 nan 8.290 nan 0.000 0.415 223 L N 1.027 122.288 121.223 0.064 0.000 2.017 223 L HA -0.076 4.272 4.340 0.013 0.000 0.208 223 L C 2.590 179.504 176.870 0.074 0.000 1.073 223 L CA 2.200 57.078 54.840 0.063 0.000 0.745 223 L CB -0.934 41.160 42.059 0.059 0.000 0.894 223 L HN 0.194 nan 8.230 nan 0.000 0.432 224 A N -0.915 121.969 122.820 0.106 0.000 1.902 224 A HA -0.231 4.096 4.320 0.013 0.000 0.217 224 A C 2.185 179.847 177.584 0.130 0.000 1.181 224 A CA 1.882 53.980 52.037 0.102 0.000 0.623 224 A CB -0.639 18.447 19.000 0.143 0.000 0.818 224 A HN 0.625 nan 8.150 nan 0.000 0.443 225 E N -0.685 119.609 120.200 0.156 0.000 2.072 225 E HA -0.148 4.209 4.350 0.013 0.000 0.191 225 E C 2.363 179.020 176.600 0.095 0.000 0.985 225 E CA 0.982 57.476 56.400 0.157 0.000 0.801 225 E CB -0.125 29.675 29.700 0.166 0.000 0.750 225 E HN 0.535 nan 8.360 nan 0.000 0.452 226 R N 0.287 120.831 120.500 0.074 0.000 2.092 226 R HA -0.026 4.322 4.340 0.013 0.000 0.231 226 R C 2.245 178.574 176.300 0.049 0.000 1.119 226 R CA 0.817 56.949 56.100 0.053 0.000 0.970 226 R CB -0.118 30.209 30.300 0.044 0.000 0.864 226 R HN 0.172 nan 8.270 nan 0.000 0.440 227 L N 0.784 122.038 121.223 0.051 0.000 2.492 227 L HA 0.022 4.370 4.340 0.013 0.000 0.223 227 L C 0.123 177.022 176.870 0.049 0.000 1.132 227 L CA 0.246 55.113 54.840 0.045 0.000 0.850 227 L CB 0.024 42.107 42.059 0.040 0.000 0.966 227 L HN 0.101 nan 8.230 nan 0.000 0.454 228 K N -0.303 120.133 120.400 0.059 0.000 3.096 228 K HA -0.170 4.158 4.320 0.013 0.000 0.266 228 K C -0.099 176.531 176.600 0.050 0.000 1.043 228 K CA 0.845 57.167 56.287 0.058 0.000 0.758 228 K CB -2.035 30.493 32.500 0.047 0.000 1.260 228 K HN 0.326 nan 8.250 nan 0.000 0.481 229 A N 0.971 123.814 122.820 0.039 0.000 2.350 229 A HA 0.710 5.038 4.320 0.013 0.000 0.324 229 A C -2.212 175.334 177.584 -0.062 0.000 1.118 229 A CA -1.490 50.554 52.037 0.011 0.000 0.783 229 A CB 1.319 20.323 19.000 0.007 0.000 1.236 229 A HN -0.037 nan 8.150 nan 0.000 0.457 230 P HA 0.355 nan 4.420 nan 0.000 0.274 230 P C -0.783 176.239 177.300 -0.463 0.000 1.237 230 P CA -0.098 62.801 63.100 -0.334 0.000 0.793 230 P CB 1.089 32.530 31.700 -0.432 0.000 0.977 231 V N 2.546 122.048 119.914 -0.687 0.000 2.525 231 V HA 0.327 4.455 4.120 0.013 0.000 0.299 231 V C -0.223 175.392 176.094 -0.798 0.000 1.034 231 V CA -0.479 61.434 62.300 -0.646 0.000 0.863 231 V CB 1.686 32.922 31.823 -0.978 0.000 0.999 231 V HN 0.607 nan 8.190 nan 0.000 0.423 232 W N 2.816 123.855 121.300 -0.435 0.000 2.578 232 W HA 0.693 5.360 4.660 0.012 0.000 0.353 232 W C -0.571 175.751 176.519 -0.328 0.000 1.088 232 W CA -0.714 56.350 57.345 -0.470 0.000 1.235 232 W CB 2.141 31.359 29.460 -0.404 0.000 1.362 232 W HN 0.278 nan 8.180 nan 0.000 0.592 233 V N 2.151 122.003 119.914 -0.102 0.000 2.481 233 V HA 0.394 4.522 4.120 0.013 0.000 0.286 233 V C 0.618 176.611 176.094 -0.168 0.000 1.042 233 V CA -0.918 61.319 62.300 -0.105 0.000 0.928 233 V CB 0.605 32.282 31.823 -0.243 0.000 0.986 233 V HN 0.581 nan 8.190 nan 0.000 0.462 234 A N 7.657 130.419 122.820 -0.096 0.000 2.445 234 A HA 0.527 4.854 4.320 0.013 0.000 0.242 234 A C -1.930 175.556 177.584 -0.163 0.000 1.075 234 A CA -0.987 50.984 52.037 -0.109 0.000 0.777 234 A CB -0.300 18.740 19.000 0.066 0.000 1.013 234 A HN 0.699 nan 8.150 nan 0.000 0.493 235 P HA 0.096 nan 4.420 nan 0.000 0.271 235 P C -0.041 177.208 177.300 -0.085 0.000 1.233 235 P CA 0.437 63.435 63.100 -0.170 0.000 0.789 235 P CB 0.433 32.057 31.700 -0.128 0.000 0.951 236 S N -2.227 113.426 115.700 -0.079 0.000 3.641 236 S HA -0.162 4.315 4.470 0.013 0.000 0.346 236 S C 0.577 175.229 174.600 0.087 0.000 1.074 236 S CA 0.719 58.927 58.200 0.014 0.000 1.026 236 S CB -2.237 61.022 63.200 0.099 0.000 0.908 236 S HN 0.938 nan 8.310 nan 0.000 0.479 237 A N 0.941 123.760 122.820 -0.001 0.000 2.491 237 A HA 0.478 4.805 4.320 0.013 0.000 0.261 237 A C -0.578 177.269 177.584 0.439 0.000 1.101 237 A CA -1.001 51.124 52.037 0.147 0.000 0.772 237 A CB 0.171 19.191 19.000 0.034 0.000 1.043 237 A HN 0.268 nan 8.150 nan 0.000 0.501 238 P HA 0.027 nan 4.420 nan 0.000 0.231 238 P C 0.225 177.769 177.300 0.407 0.000 1.168 238 P CA 0.945 64.282 63.100 0.395 0.000 0.779 238 P CB 0.315 32.113 31.700 0.162 0.000 0.844 239 R N -2.635 118.108 120.500 0.404 0.000 2.795 239 R HA 0.567 4.915 4.340 0.013 0.000 0.268 239 R C -1.435 175.102 176.300 0.396 0.000 1.041 239 R CA -0.805 55.467 56.100 0.287 0.000 0.927 239 R CB 1.141 31.517 30.300 0.127 0.000 1.235 239 R HN -0.160 nan 8.270 nan 0.000 0.463 240 C N 2.829 122.271 119.300 0.236 0.000 2.293 240 C HA 0.503 4.971 4.460 0.013 0.000 0.323 240 C C -1.733 173.355 174.990 0.163 0.000 1.240 240 C CA -1.943 57.233 59.018 0.262 0.000 1.497 240 C CB 0.775 28.510 27.740 -0.008 0.000 2.171 240 C HN 0.615 nan 8.230 nan 0.000 0.465 241 P HA 0.208 nan 4.420 nan 0.000 0.261 241 P C -0.275 177.175 177.300 0.251 0.000 1.268 241 P CA 0.299 63.513 63.100 0.190 0.000 0.833 241 P CB 0.113 31.930 31.700 0.196 0.000 1.231 242 F N 1.150 121.104 119.950 0.007 0.000 2.628 242 F HA 0.471 5.005 4.527 0.012 0.000 0.309 242 F C -2.656 173.002 175.800 -0.237 0.000 1.108 242 F CA -2.489 55.468 58.000 -0.072 0.000 0.971 242 F CB 1.893 40.923 39.000 0.051 0.000 1.279 242 F HN -0.357 nan 8.300 nan 0.000 0.441 243 P HA 0.094 nan 4.420 nan 0.000 0.263 243 P C 0.431 177.483 177.300 -0.413 0.000 1.195 243 P CA 0.204 63.083 63.100 -0.368 0.000 0.762 243 P CB 0.510 32.012 31.700 -0.330 0.000 0.799 244 T N 0.122 114.369 114.554 -0.512 0.000 3.148 244 T HA 0.053 4.410 4.350 0.013 0.000 0.253 244 T C 1.004 175.571 174.700 -0.221 0.000 1.134 244 T CA 0.467 62.091 62.100 -0.794 0.000 1.051 244 T CB -0.235 68.333 68.868 -0.499 0.000 0.959 244 T HN 0.195 nan 8.240 nan 0.000 0.525 245 R N 0.345 120.792 120.500 -0.087 0.000 2.565 245 R HA 0.216 4.563 4.340 0.013 0.000 0.347 245 R C 0.117 176.457 176.300 0.066 0.000 1.010 245 R CA -0.402 55.713 56.100 0.025 0.000 1.126 245 R CB -0.331 29.961 30.300 -0.013 0.000 1.331 245 R HN 0.576 nan 8.270 nan 0.000 0.552 246 H N 3.170 122.249 119.070 0.016 0.000 2.897 246 H HA 0.044 4.607 4.556 0.012 0.000 0.347 246 H C -1.354 174.069 175.328 0.158 0.000 1.068 246 H CA -0.955 55.134 56.048 0.069 0.000 1.426 246 H CB 1.627 31.428 29.762 0.064 0.000 1.410 246 H HN -0.159 nan 8.280 nan 0.000 0.597 247 P HA -0.155 nan 4.420 nan 0.000 0.217 247 P C 1.361 178.721 177.300 0.099 0.000 1.148 247 P CA 1.196 64.254 63.100 -0.071 0.000 0.828 247 P CB -0.097 31.489 31.700 -0.189 0.000 0.783 248 C N -2.635 116.883 119.300 0.363 0.000 2.481 248 C HA 0.132 4.599 4.460 0.013 0.000 0.275 248 C C 1.343 176.351 174.990 0.030 0.000 1.419 248 C CA -0.641 58.510 59.018 0.221 0.000 1.773 248 C CB -1.974 25.952 27.740 0.310 0.000 1.862 248 C HN 0.094 nan 8.230 nan 0.000 0.530 249 F N 2.168 122.152 119.950 0.057 0.000 2.504 249 F HA 0.234 4.768 4.527 0.012 0.000 0.369 249 F C 1.284 176.915 175.800 -0.281 0.000 1.082 249 F CA 0.110 58.045 58.000 -0.109 0.000 1.216 249 F CB 0.440 39.532 39.000 0.153 0.000 1.108 249 F HN -0.029 nan 8.300 nan 0.000 0.554 250 R N 3.613 123.380 120.500 -1.223 0.000 2.476 250 R HA 0.357 4.704 4.340 0.013 0.000 0.276 250 R C 0.602 176.262 176.300 -1.067 0.000 0.941 250 R CA 0.396 55.800 56.100 -1.160 0.000 1.088 250 R CB 0.062 29.283 30.300 -1.800 0.000 1.216 250 R HN 0.959 nan 8.270 nan 0.000 0.533 251 G N 1.151 108.986 108.800 -1.608 0.000 2.483 251 G HA2 -0.209 3.759 3.960 0.013 0.000 0.521 251 G HA3 -0.209 3.759 3.960 0.013 0.000 0.521 251 G C -1.420 173.152 174.900 -0.545 0.000 1.278 251 G CA -0.662 43.917 45.100 -0.868 0.000 0.965 251 G HN 0.119 nan 8.290 nan 0.000 0.504 252 L N 0.991 121.954 121.223 -0.433 0.000 2.313 252 L HA 0.719 5.066 4.340 0.013 0.000 0.282 252 L C 1.075 177.754 176.870 -0.318 0.000 1.092 252 L CA -0.271 54.215 54.840 -0.589 0.000 0.831 252 L CB 0.525 41.980 42.059 -1.007 0.000 1.159 252 L HN 0.599 nan 8.230 nan 0.000 0.442 253 M N 7.867 127.298 119.600 -0.281 0.000 2.239 253 M HA 0.240 4.727 4.480 0.013 0.000 0.348 253 M C -1.935 174.215 176.300 -0.251 0.000 1.239 253 M CA -1.462 53.665 55.300 -0.289 0.000 1.114 253 M CB 0.253 32.599 32.600 -0.423 0.000 1.641 253 M HN 0.482 nan 8.290 nan 0.000 0.453 254 P HA 0.095 nan 4.420 nan 0.000 0.272 254 P C -0.894 176.372 177.300 -0.058 0.000 1.223 254 P CA -0.266 62.762 63.100 -0.121 0.000 0.784 254 P CB 0.517 32.163 31.700 -0.090 0.000 0.923 255 A N 2.082 124.924 122.820 0.035 0.000 3.202 255 A HA 0.543 4.870 4.320 0.013 0.000 0.258 255 A C 0.709 178.476 177.584 0.305 0.000 1.572 255 A CA -0.102 52.040 52.037 0.174 0.000 1.241 255 A CB -1.180 17.960 19.000 0.233 0.000 1.127 255 A HN 0.640 nan 8.150 nan 0.000 0.648 256 G N -0.790 108.153 108.800 0.238 0.000 2.620 256 G HA2 0.491 4.459 3.960 0.013 0.000 0.301 256 G HA3 0.491 4.459 3.960 0.013 0.000 0.301 256 G C 0.500 175.375 174.900 -0.041 0.000 1.347 256 G CA -0.643 44.517 45.100 0.099 0.000 0.971 256 G HN 0.142 nan 8.290 nan 0.000 0.488 257 I N 1.471 121.799 120.570 -0.404 0.000 2.142 257 I HA -0.178 4.000 4.170 0.013 0.000 0.240 257 I C 3.085 179.077 176.117 -0.209 0.000 1.078 257 I CA 1.841 62.836 61.300 -0.508 0.000 1.343 257 I CB -0.130 37.497 38.000 -0.621 0.000 1.046 257 I HN 0.547 nan 8.210 nan 0.000 0.405 258 A N 0.666 123.353 122.820 -0.222 0.000 1.902 258 A HA -0.159 4.169 4.320 0.013 0.000 0.217 258 A C 2.514 180.023 177.584 -0.126 0.000 1.181 258 A CA 1.918 53.854 52.037 -0.169 0.000 0.623 258 A CB -0.953 17.940 19.000 -0.178 0.000 0.818 258 A HN 0.445 nan 8.150 nan 0.000 0.443 259 A N -0.448 122.302 122.820 -0.116 0.000 1.972 259 A HA -0.025 4.303 4.320 0.013 0.000 0.219 259 A C 2.090 179.579 177.584 -0.158 0.000 1.169 259 A CA 1.477 53.445 52.037 -0.115 0.000 0.635 259 A CB -0.501 18.443 19.000 -0.092 0.000 0.810 259 A HN 0.509 nan 8.150 nan 0.000 0.446 260 I N 0.300 120.780 120.570 -0.150 0.000 2.406 260 I HA -0.179 3.999 4.170 0.013 0.000 0.249 260 I C 2.781 178.778 176.117 -0.200 0.000 1.122 260 I CA 1.294 62.445 61.300 -0.247 0.000 1.431 260 I CB -0.145 37.701 38.000 -0.257 0.000 1.087 260 I HN 0.471 nan 8.210 nan 0.000 0.424 261 S N 0.234 115.880 115.700 -0.090 0.000 2.402 261 S HA -0.279 4.199 4.470 0.013 0.000 0.229 261 S C 1.943 176.491 174.600 -0.086 0.000 1.021 261 S CA 1.119 59.286 58.200 -0.055 0.000 0.974 261 S CB -0.535 62.654 63.200 -0.017 0.000 0.800 261 S HN 0.510 nan 8.310 nan 0.000 0.484 262 Q N 0.231 119.967 119.800 -0.106 0.000 2.084 262 Q HA -0.074 4.273 4.340 0.013 0.000 0.202 262 Q C 2.079 178.008 176.000 -0.117 0.000 0.978 262 Q CA 1.240 56.985 55.803 -0.097 0.000 0.844 262 Q CB -0.215 28.466 28.738 -0.094 0.000 0.898 262 Q HN 0.487 nan 8.270 nan 0.000 0.426 263 L N 0.306 121.406 121.223 -0.204 0.000 2.093 263 L HA -0.089 4.259 4.340 0.013 0.000 0.208 263 L C 1.966 178.651 176.870 -0.308 0.000 1.085 263 L CA 1.478 56.130 54.840 -0.313 0.000 0.755 263 L CB -0.244 41.457 42.059 -0.596 0.000 0.904 263 L HN 0.300 nan 8.230 nan 0.000 0.435 264 L N -1.062 120.002 121.223 -0.264 0.000 2.509 264 L HA 0.015 4.362 4.340 0.013 0.000 0.222 264 L C 0.903 177.810 176.870 0.062 0.000 1.123 264 L CA -0.156 54.615 54.840 -0.114 0.000 0.856 264 L CB -0.315 41.662 42.059 -0.137 0.000 0.985 264 L HN 0.237 nan 8.230 nan 0.000 0.456 265 E N 0.602 120.801 120.200 -0.002 0.000 2.529 265 E HA 0.079 4.436 4.350 0.013 0.000 0.259 265 E C 1.144 177.722 176.600 -0.038 0.000 0.966 265 E CA 0.875 57.269 56.400 -0.010 0.000 0.937 265 E CB 0.340 30.020 29.700 -0.032 0.000 0.923 265 E HN 0.320 nan 8.360 nan 0.000 0.468 266 G N 4.171 112.936 108.800 -0.058 0.000 2.241 266 G HA2 -0.234 3.733 3.960 0.013 0.000 0.244 266 G HA3 -0.234 3.733 3.960 0.013 0.000 0.244 266 G C -0.091 174.683 174.900 -0.211 0.000 0.998 266 G CA 0.099 45.114 45.100 -0.142 0.000 0.621 266 G HN 0.724 nan 8.290 nan 0.000 0.519 267 H N 1.835 120.912 119.070 0.012 0.000 2.668 267 H HA 0.267 4.831 4.556 0.012 0.000 0.303 267 H C 1.190 176.530 175.328 0.019 0.000 1.074 267 H CA 0.425 56.489 56.048 0.027 0.000 1.406 267 H CB 1.447 31.233 29.762 0.040 0.000 1.442 267 H HN 0.484 nan 8.280 nan 0.000 0.482 268 D N 2.328 122.793 120.400 0.109 0.000 2.194 268 D HA -0.067 4.580 4.640 0.013 0.000 0.204 268 D C 0.504 176.847 176.300 0.072 0.000 0.964 268 D CA 0.468 54.508 54.000 0.067 0.000 0.846 268 D CB 0.366 41.191 40.800 0.042 0.000 0.962 268 D HN 0.112 nan 8.370 nan 0.000 0.490 269 V N 1.126 121.095 119.914 0.090 0.000 2.483 269 V HA 0.328 4.455 4.120 0.013 0.000 0.297 269 V C -0.513 175.625 176.094 0.074 0.000 1.027 269 V CA -0.996 61.345 62.300 0.069 0.000 0.855 269 V CB 2.498 34.352 31.823 0.052 0.000 0.995 269 V HN -0.088 nan 8.190 nan 0.000 0.424 270 V N 6.087 126.034 119.914 0.056 0.000 2.357 270 V HA 0.417 4.545 4.120 0.013 0.000 0.284 270 V C -0.388 175.727 176.094 0.034 0.000 1.018 270 V CA -0.539 61.784 62.300 0.039 0.000 0.841 270 V CB 1.593 33.441 31.823 0.043 0.000 0.991 270 V HN 0.655 nan 8.190 nan 0.000 0.437 271 L N 7.767 129.006 121.223 0.027 0.000 2.255 271 L HA 0.560 4.907 4.340 0.013 0.000 0.289 271 L C -0.289 176.598 176.870 0.029 0.000 1.046 271 L CA 0.222 55.075 54.840 0.021 0.000 0.816 271 L CB 1.295 43.365 42.059 0.017 0.000 1.197 271 L HN 0.427 nan 8.230 nan 0.000 0.427 272 V N 7.092 127.021 119.914 0.025 0.000 2.370 272 V HA 0.460 4.587 4.120 0.013 0.000 0.279 272 V C 0.188 176.292 176.094 0.016 0.000 1.029 272 V CA -0.338 61.985 62.300 0.038 0.000 0.870 272 V CB 1.250 33.084 31.823 0.018 0.000 0.984 272 V HN 0.591 nan 8.190 nan 0.000 0.451 273 I N 3.534 124.122 120.570 0.030 0.000 2.436 273 I HA 0.631 4.808 4.170 0.013 0.000 0.289 273 I C 0.977 177.116 176.117 0.036 0.000 1.010 273 I CA -0.426 60.890 61.300 0.026 0.000 1.098 273 I CB 1.786 39.806 38.000 0.033 0.000 1.266 273 I HN 0.808 nan 8.210 nan 0.000 0.434 274 G N 4.342 113.157 108.800 0.026 0.000 2.221 274 G HA2 -0.030 3.937 3.960 0.013 0.000 0.265 274 G HA3 -0.030 3.937 3.960 0.013 0.000 0.265 274 G C -0.066 174.863 174.900 0.049 0.000 1.041 274 G CA 0.256 45.379 45.100 0.040 0.000 0.807 274 G HN 1.050 nan 8.290 nan 0.000 0.502 275 A N -0.718 122.118 122.820 0.027 0.000 2.498 275 A HA 0.962 5.290 4.320 0.013 0.000 0.298 275 A C -2.707 174.855 177.584 -0.035 0.000 1.075 275 A CA -1.416 50.635 52.037 0.023 0.000 0.714 275 A CB 1.840 20.881 19.000 0.068 0.000 1.299 275 A HN 0.110 nan 8.150 nan 0.000 0.407 276 P HA 0.356 nan 4.420 nan 0.000 0.272 276 P C -0.732 176.412 177.300 -0.260 0.000 1.223 276 P CA -0.164 62.863 63.100 -0.121 0.000 0.784 276 P CB 0.736 32.383 31.700 -0.089 0.000 0.923 277 V N 3.318 122.965 119.914 -0.445 0.000 2.266 277 V HA 0.369 4.497 4.120 0.013 0.000 0.271 277 V C -0.475 175.252 176.094 -0.612 0.000 1.032 277 V CA -0.005 61.702 62.300 -0.989 0.000 0.806 277 V CB -0.943 30.348 31.823 -0.887 0.000 1.052 277 V HN 0.382 nan 8.190 nan 0.000 0.449 278 F N 2.000 121.700 119.950 -0.417 0.000 2.611 278 F HA 0.635 5.170 4.527 0.013 0.000 0.324 278 F C 0.507 175.922 175.800 -0.641 0.000 1.061 278 F CA -1.344 56.307 58.000 -0.581 0.000 0.954 278 F CB 1.768 40.316 39.000 -0.753 0.000 1.301 278 F HN 0.163 nan 8.300 nan 0.000 0.482 279 R N 1.638 122.041 120.500 -0.161 0.000 3.268 279 R HA 0.242 4.590 4.340 0.013 0.000 0.217 279 R C -1.325 174.947 176.300 -0.048 0.000 1.568 279 R CA -0.105 55.941 56.100 -0.091 0.000 1.322 279 R CB -1.187 29.105 30.300 -0.013 0.000 1.280 279 R HN 0.358 nan 8.270 nan 0.000 0.667 280 Y N 0.138 120.557 120.300 0.199 0.000 2.279 280 Y HA 0.094 4.651 4.550 0.012 0.000 0.350 280 Y C 1.755 177.824 175.900 0.282 0.000 1.288 280 Y CA 0.374 58.604 58.100 0.217 0.000 1.547 280 Y CB 0.417 39.018 38.460 0.236 0.000 1.381 280 Y HN 0.517 nan 8.280 nan 0.000 0.630 281 H N -1.413 117.883 119.070 0.376 0.000 2.460 281 H HA 0.096 4.660 4.556 0.013 0.000 0.140 281 H C 0.013 175.584 175.328 0.406 0.000 1.101 281 H CA -0.092 56.158 56.048 0.337 0.000 1.101 281 H CB 0.462 30.424 29.762 0.334 0.000 0.893 281 H HN 0.634 nan 8.280 nan 0.000 0.286 282 Q N 1.491 121.543 119.800 0.420 0.000 2.421 282 Q HA -0.061 4.286 4.340 0.013 0.000 0.255 282 Q C -1.065 175.137 176.000 0.337 0.000 1.013 282 Q CA -0.107 55.929 55.803 0.388 0.000 0.895 282 Q CB 0.732 29.635 28.738 0.274 0.000 1.271 282 Q HN 0.439 nan 8.270 nan 0.000 0.460 283 Y N 1.851 122.234 120.300 0.138 0.000 2.404 283 Y HA 0.225 4.782 4.550 0.012 0.000 0.344 283 Y C -1.010 174.888 175.900 -0.003 0.000 0.995 283 Y CA -0.986 57.145 58.100 0.053 0.000 1.201 283 Y CB 0.755 39.241 38.460 0.043 0.000 1.151 283 Y HN 0.772 nan 8.280 nan 0.000 0.517 284 D N 8.942 129.145 120.400 -0.328 0.000 2.552 284 D HA 0.282 4.929 4.640 0.013 0.000 0.285 284 D C -3.044 172.953 176.300 -0.504 0.000 1.206 284 D CA -2.035 51.753 54.000 -0.354 0.000 0.826 284 D CB 0.883 41.584 40.800 -0.166 0.000 1.179 284 D HN 0.219 nan 8.370 nan 0.000 0.508 285 P HA 0.445 nan 4.420 nan 0.000 0.271 285 P C 0.360 177.429 177.300 -0.385 0.000 1.216 285 P CA 0.192 62.911 63.100 -0.635 0.000 0.776 285 P CB 1.899 33.178 31.700 -0.700 0.000 0.881 286 G N 1.836 110.426 108.800 -0.350 0.000 2.498 286 G HA2 0.101 4.069 3.960 0.013 0.000 0.181 286 G HA3 0.101 4.069 3.960 0.013 0.000 0.181 286 G C -1.505 173.219 174.900 -0.294 0.000 1.169 286 G CA -0.564 44.378 45.100 -0.263 0.000 0.992 286 G HN 0.460 nan 8.290 nan 0.000 0.490 287 Q N -0.182 119.493 119.800 -0.210 0.000 2.261 287 Q HA 0.425 4.773 4.340 0.013 0.000 0.252 287 Q C 0.342 176.259 176.000 -0.139 0.000 0.915 287 Q CA -0.647 55.054 55.803 -0.170 0.000 0.915 287 Q CB 1.488 30.184 28.738 -0.069 0.000 1.204 287 Q HN 0.512 nan 8.270 nan 0.000 0.421 288 Y N 1.096 121.400 120.300 0.007 0.000 2.114 288 Y HA -0.084 4.474 4.550 0.013 0.000 0.284 288 Y C 0.733 176.687 175.900 0.090 0.000 1.143 288 Y CA 1.036 59.179 58.100 0.071 0.000 1.135 288 Y CB 0.323 38.839 38.460 0.094 0.000 0.980 288 Y HN 0.410 nan 8.280 nan 0.000 0.499 289 L N 0.303 121.658 121.223 0.220 0.000 2.464 289 L HA 0.303 4.650 4.340 0.013 0.000 0.266 289 L C -0.739 176.174 176.870 0.071 0.000 0.965 289 L CA -0.892 54.027 54.840 0.131 0.000 0.833 289 L CB 2.305 44.441 42.059 0.127 0.000 1.296 289 L HN -0.076 nan 8.230 nan 0.000 0.405 290 K N 3.485 123.907 120.400 0.036 0.000 2.258 290 K HA 0.304 4.632 4.320 0.013 0.000 0.264 290 K C -2.317 174.296 176.600 0.022 0.000 1.007 290 K CA -1.389 54.907 56.287 0.015 0.000 0.941 290 K CB 0.337 32.835 32.500 -0.004 0.000 0.966 290 K HN 0.268 nan 8.250 nan 0.000 0.480 291 P HA -0.026 nan 4.420 nan 0.000 0.267 291 P C 0.431 177.739 177.300 0.013 0.000 1.200 291 P CA 0.589 63.699 63.100 0.015 0.000 0.772 291 P CB 0.558 32.263 31.700 0.008 0.000 0.855 292 G N 0.906 109.715 108.800 0.016 0.000 2.176 292 G HA2 -0.169 3.799 3.960 0.013 0.000 0.232 292 G HA3 -0.169 3.799 3.960 0.013 0.000 0.232 292 G C -0.015 174.900 174.900 0.025 0.000 0.986 292 G CA 0.146 45.255 45.100 0.015 0.000 0.643 292 G HN 0.721 nan 8.290 nan 0.000 0.522 293 T N 0.047 114.621 114.554 0.033 0.000 2.770 293 T HA 0.697 5.054 4.350 0.013 0.000 0.283 293 T C -0.179 174.547 174.700 0.043 0.000 0.988 293 T CA -0.731 61.398 62.100 0.047 0.000 0.957 293 T CB 2.523 71.429 68.868 0.064 0.000 0.930 293 T HN 0.250 nan 8.240 nan 0.000 0.443 294 R N 2.807 123.332 120.500 0.041 0.000 2.202 294 R HA 0.392 4.739 4.340 0.013 0.000 0.334 294 R C -0.960 175.359 176.300 0.033 0.000 1.036 294 R CA -0.683 55.436 56.100 0.031 0.000 0.878 294 R CB 0.794 31.109 30.300 0.026 0.000 1.067 294 R HN 0.694 nan 8.270 nan 0.000 0.457 295 L N 6.161 127.398 121.223 0.023 0.000 2.282 295 L HA 0.514 4.861 4.340 0.013 0.000 0.288 295 L C -0.742 176.123 176.870 -0.009 0.000 1.033 295 L CA -0.373 54.476 54.840 0.015 0.000 0.807 295 L CB 0.944 43.010 42.059 0.013 0.000 1.209 295 L HN 0.545 nan 8.230 nan 0.000 0.423 296 I N 4.276 124.841 120.570 -0.008 0.000 2.418 296 I HA 0.296 4.473 4.170 0.013 0.000 0.287 296 I C -0.342 175.757 176.117 -0.030 0.000 1.008 296 I CA -0.330 60.959 61.300 -0.018 0.000 1.104 296 I CB 1.900 39.897 38.000 -0.005 0.000 1.264 296 I HN 0.522 nan 8.210 nan 0.000 0.438 297 S N 5.889 121.557 115.700 -0.053 0.000 2.451 297 S HA 0.620 5.097 4.470 0.013 0.000 0.301 297 S C -0.680 173.892 174.600 -0.047 0.000 1.116 297 S CA -0.480 57.680 58.200 -0.067 0.000 1.093 297 S CB 1.226 64.355 63.200 -0.119 0.000 1.017 297 S HN 0.325 nan 8.310 nan 0.000 0.482 298 V N 4.634 124.528 119.914 -0.033 0.000 2.370 298 V HA 0.638 4.765 4.120 0.013 0.000 0.283 298 V C 0.382 176.460 176.094 -0.028 0.000 1.023 298 V CA -0.473 61.811 62.300 -0.026 0.000 0.857 298 V CB 1.244 33.060 31.823 -0.011 0.000 0.985 298 V HN 0.932 nan 8.190 nan 0.000 0.443 299 T N 3.174 117.706 114.554 -0.036 0.000 2.909 299 T HA 0.270 4.628 4.350 0.013 0.000 0.299 299 T C 0.751 175.420 174.700 -0.052 0.000 1.073 299 T CA -0.098 61.979 62.100 -0.038 0.000 0.999 299 T CB 1.331 70.171 68.868 -0.046 0.000 1.098 299 T HN 0.873 nan 8.240 nan 0.000 0.477 300 C N 1.548 120.804 119.300 -0.073 0.000 2.696 300 C HA 0.452 4.920 4.460 0.013 0.000 0.264 300 C C 0.528 175.423 174.990 -0.158 0.000 1.288 300 C CA -0.378 58.568 59.018 -0.119 0.000 1.717 300 C CB -1.114 26.531 27.740 -0.159 0.000 1.893 300 C HN 0.745 nan 8.230 nan 0.000 0.577 301 D N 1.297 121.621 120.400 -0.127 0.000 2.440 301 D HA 0.371 5.019 4.640 0.013 0.000 0.239 301 D C -1.818 174.451 176.300 -0.052 0.000 1.084 301 D CA -2.085 51.848 54.000 -0.111 0.000 0.843 301 D CB 1.942 42.711 40.800 -0.052 0.000 1.097 301 D HN -0.074 nan 8.370 nan 0.000 0.531 302 P HA -0.109 nan 4.420 nan 0.000 0.216 302 P C 1.706 179.004 177.300 -0.004 0.000 1.150 302 P CA 0.867 63.954 63.100 -0.020 0.000 0.843 302 P CB 0.359 32.053 31.700 -0.010 0.000 0.787 303 L N -0.695 120.538 121.223 0.017 0.000 2.083 303 L HA -0.180 4.167 4.340 0.013 0.000 0.209 303 L C 2.347 179.227 176.870 0.016 0.000 1.083 303 L CA 1.557 56.422 54.840 0.042 0.000 0.752 303 L CB -0.774 41.343 42.059 0.098 0.000 0.899 303 L HN 0.065 nan 8.230 nan 0.000 0.433 304 E N 0.024 120.223 120.200 -0.002 0.000 2.072 304 E HA -0.158 4.199 4.350 0.013 0.000 0.190 304 E C 2.339 178.903 176.600 -0.059 0.000 0.982 304 E CA 0.986 57.367 56.400 -0.032 0.000 0.803 304 E CB -0.119 29.563 29.700 -0.029 0.000 0.755 304 E HN 0.473 nan 8.360 nan 0.000 0.453 305 A N 1.607 124.397 122.820 -0.051 0.000 1.902 305 A HA -0.147 4.181 4.320 0.013 0.000 0.217 305 A C 2.387 179.937 177.584 -0.056 0.000 1.181 305 A CA 1.789 53.790 52.037 -0.060 0.000 0.623 305 A CB -0.626 18.346 19.000 -0.047 0.000 0.818 305 A HN 0.291 nan 8.150 nan 0.000 0.443 306 A N 0.410 123.208 122.820 -0.036 0.000 1.930 306 A HA -0.122 4.206 4.320 0.013 0.000 0.217 306 A C 2.149 179.710 177.584 -0.038 0.000 1.175 306 A CA 1.543 53.562 52.037 -0.029 0.000 0.627 306 A CB -0.389 18.607 19.000 -0.008 0.000 0.815 306 A HN 0.700 nan 8.150 nan 0.000 0.443 307 R N -0.603 119.872 120.500 -0.041 0.000 2.334 307 R HA 0.494 4.841 4.340 0.013 0.000 0.216 307 R C 0.532 176.777 176.300 -0.092 0.000 0.905 307 R CA 0.507 56.579 56.100 -0.046 0.000 1.064 307 R CB -0.327 29.963 30.300 -0.016 0.000 1.046 307 R HN 0.242 nan 8.270 nan 0.000 0.508 308 A N 2.799 125.543 122.820 -0.127 0.000 2.522 308 A HA 0.231 4.559 4.320 0.013 0.000 0.256 308 A C -1.596 175.861 177.584 -0.211 0.000 1.086 308 A CA -1.248 50.672 52.037 -0.196 0.000 0.763 308 A CB 0.333 19.206 19.000 -0.212 0.000 1.024 308 A HN 0.198 nan 8.150 nan 0.000 0.502 309 P HA -0.032 nan 4.420 nan 0.000 0.225 309 P C 0.110 177.237 177.300 -0.288 0.000 1.148 309 P CA 1.146 63.984 63.100 -0.435 0.000 0.779 309 P CB -0.041 30.957 31.700 -1.169 0.000 0.780 310 M N -3.526 115.944 119.600 -0.218 0.000 2.644 310 M HA 0.658 5.145 4.480 0.013 0.000 0.273 310 M C -0.326 175.912 176.300 -0.103 0.000 1.253 310 M CA -0.492 54.743 55.300 -0.109 0.000 0.852 310 M CB 1.096 33.672 32.600 -0.039 0.000 1.708 310 M HN 0.053 nan 8.290 nan 0.000 0.471 311 G N 1.469 110.234 108.800 -0.059 0.000 2.707 311 G HA2 -0.015 3.953 3.960 0.013 0.000 0.686 311 G HA3 -0.015 3.953 3.960 0.013 0.000 0.686 311 G C -1.633 173.235 174.900 -0.053 0.000 1.315 311 G CA -0.456 44.612 45.100 -0.053 0.000 0.832 311 G HN 0.963 nan 8.290 nan 0.000 0.573 312 D N 0.111 120.487 120.400 -0.041 0.000 2.312 312 D HA 0.708 5.355 4.640 0.013 0.000 0.248 312 D C 0.667 176.938 176.300 -0.049 0.000 1.086 312 D CA 0.980 54.957 54.000 -0.038 0.000 0.948 312 D CB 1.621 42.407 40.800 -0.024 0.000 1.162 312 D HN 1.192 nan 8.370 nan 0.000 0.446 313 A N 1.042 123.835 122.820 -0.046 0.000 2.414 313 A HA 0.696 5.024 4.320 0.013 0.000 0.306 313 A C -0.869 176.693 177.584 -0.037 0.000 1.054 313 A CA -0.643 51.364 52.037 -0.049 0.000 0.724 313 A CB 0.935 19.900 19.000 -0.059 0.000 1.267 313 A HN 0.477 nan 8.150 nan 0.000 0.418 314 I N 2.029 122.578 120.570 -0.035 0.000 2.418 314 I HA 0.326 4.504 4.170 0.013 0.000 0.287 314 I C -0.717 175.380 176.117 -0.033 0.000 1.008 314 I CA -0.825 60.458 61.300 -0.029 0.000 1.104 314 I CB 2.079 40.066 38.000 -0.022 0.000 1.264 314 I HN 0.307 nan 8.210 nan 0.000 0.438 315 V N 6.226 126.121 119.914 -0.033 0.000 2.339 315 V HA 0.762 4.890 4.120 0.013 0.000 0.261 315 V C 0.402 176.474 176.094 -0.037 0.000 1.058 315 V CA -0.060 62.217 62.300 -0.039 0.000 0.897 315 V CB 0.280 32.079 31.823 -0.039 0.000 1.052 315 V HN 0.864 nan 8.190 nan 0.000 0.480 316 A N 3.564 126.361 122.820 -0.038 0.000 2.588 316 A HA 0.654 4.982 4.320 0.013 0.000 0.290 316 A C -1.040 176.522 177.584 -0.038 0.000 1.136 316 A CA -0.791 51.225 52.037 -0.034 0.000 0.681 316 A CB 1.237 20.223 19.000 -0.024 0.000 1.282 316 A HN 0.673 nan 8.150 nan 0.000 0.421 317 D N 0.190 120.571 120.400 -0.032 0.000 2.425 317 D HA 0.274 4.921 4.640 0.013 0.000 0.247 317 D C 1.076 177.366 176.300 -0.016 0.000 1.147 317 D CA -0.291 53.691 54.000 -0.029 0.000 0.879 317 D CB 0.371 41.158 40.800 -0.022 0.000 1.179 317 D HN 0.268 nan 8.370 nan 0.000 0.456 318 I N 3.630 124.193 120.570 -0.013 0.000 2.315 318 I HA -0.045 4.132 4.170 0.013 0.000 0.248 318 I C 2.274 178.397 176.117 0.010 0.000 1.117 318 I CA 1.072 62.373 61.300 0.002 0.000 1.404 318 I CB -1.571 36.436 38.000 0.011 0.000 1.071 318 I HN 0.669 nan 8.210 nan 0.000 0.419 319 G N 0.817 109.623 108.800 0.010 0.000 2.421 319 G HA2 -0.197 3.771 3.960 0.013 0.000 0.216 319 G HA3 -0.197 3.771 3.960 0.013 0.000 0.216 319 G C 1.868 176.775 174.900 0.011 0.000 1.171 319 G CA 1.032 46.141 45.100 0.014 0.000 0.775 319 G HN 0.473 nan 8.290 nan 0.000 0.543 320 A N 0.213 123.037 122.820 0.007 0.000 1.933 320 A HA 0.029 4.356 4.320 0.013 0.000 0.218 320 A C 2.448 180.035 177.584 0.006 0.000 1.175 320 A CA 1.958 53.998 52.037 0.006 0.000 0.628 320 A CB -0.304 18.697 19.000 0.001 0.000 0.814 320 A HN 0.312 nan 8.150 nan 0.000 0.444 321 M N -0.666 118.936 119.600 0.004 0.000 2.098 321 M HA -0.020 4.468 4.480 0.013 0.000 0.262 321 M C 2.595 178.902 176.300 0.012 0.000 1.072 321 M CA 1.548 56.851 55.300 0.005 0.000 1.133 321 M CB -1.522 31.079 32.600 0.002 0.000 1.344 321 M HN 0.464 nan 8.290 nan 0.000 0.414 322 A N -0.419 122.411 122.820 0.016 0.000 1.908 322 A HA -0.183 4.144 4.320 0.013 0.000 0.218 322 A C 2.495 180.092 177.584 0.022 0.000 1.181 322 A CA 2.456 54.507 52.037 0.024 0.000 0.627 322 A CB -1.032 17.987 19.000 0.032 0.000 0.818 322 A HN 0.513 nan 8.150 nan 0.000 0.445 323 S N -0.517 115.193 115.700 0.017 0.000 2.368 323 S HA -0.032 4.446 4.470 0.013 0.000 0.225 323 S C 2.203 176.811 174.600 0.013 0.000 1.030 323 S CA 1.610 59.819 58.200 0.014 0.000 0.999 323 S CB -0.540 62.667 63.200 0.012 0.000 0.844 323 S HN 0.857 nan 8.310 nan 0.000 0.459 324 A N 1.591 124.418 122.820 0.012 0.000 1.865 324 A HA -0.007 4.321 4.320 0.013 0.000 0.217 324 A C 2.270 179.861 177.584 0.012 0.000 1.191 324 A CA 1.681 53.724 52.037 0.010 0.000 0.623 324 A CB -0.951 18.053 19.000 0.007 0.000 0.826 324 A HN 0.582 nan 8.150 nan 0.000 0.444 325 L N -0.920 120.312 121.223 0.015 0.000 2.056 325 L HA -0.172 4.176 4.340 0.013 0.000 0.207 325 L C 3.101 179.984 176.870 0.020 0.000 1.078 325 L CA 1.019 55.869 54.840 0.017 0.000 0.749 325 L CB -0.589 41.481 42.059 0.019 0.000 0.901 325 L HN 0.442 nan 8.230 nan 0.000 0.433 326 A N -0.015 122.819 122.820 0.023 0.000 1.978 326 A HA -0.206 4.121 4.320 0.013 0.000 0.220 326 A C 1.994 179.591 177.584 0.021 0.000 1.170 326 A CA 1.818 53.870 52.037 0.025 0.000 0.636 326 A CB -0.491 18.524 19.000 0.025 0.000 0.810 326 A HN 0.479 nan 8.150 nan 0.000 0.448 327 N N -0.851 117.859 118.700 0.017 0.000 2.424 327 N HA 0.119 4.866 4.740 0.013 0.000 0.178 327 N C 1.391 176.909 175.510 0.014 0.000 1.060 327 N CA 0.636 53.694 53.050 0.014 0.000 0.901 327 N CB 0.127 38.621 38.487 0.011 0.000 0.979 327 N HN 0.479 nan 8.380 nan 0.000 0.451 328 L N 0.664 121.895 121.223 0.014 0.000 2.425 328 L HA 0.135 4.482 4.340 0.013 0.000 0.215 328 L C 0.739 177.618 176.870 0.015 0.000 1.065 328 L CA 0.024 54.871 54.840 0.013 0.000 0.842 328 L CB 0.147 42.213 42.059 0.011 0.000 1.033 328 L HN -0.105 nan 8.230 nan 0.000 0.474 329 V N -1.355 118.570 119.914 0.018 0.000 2.843 329 V HA 0.120 4.247 4.120 0.013 0.000 0.305 329 V C 0.212 176.318 176.094 0.020 0.000 1.065 329 V CA -0.882 61.430 62.300 0.020 0.000 1.116 329 V CB 0.462 32.300 31.823 0.024 0.000 0.968 329 V HN 0.159 nan 8.190 nan 0.000 0.487 330 E N 1.580 121.792 120.200 0.019 0.000 2.374 330 E HA 0.200 4.558 4.350 0.013 0.000 0.260 330 E C -0.104 176.510 176.600 0.023 0.000 1.101 330 E CA -0.381 56.030 56.400 0.019 0.000 0.907 330 E CB 0.838 30.548 29.700 0.017 0.000 1.014 330 E HN 0.865 nan 8.360 nan 0.000 0.427 331 E N 1.459 121.673 120.200 0.022 0.000 2.257 331 E HA 0.027 4.384 4.350 0.013 0.000 0.278 331 E C -0.776 175.839 176.600 0.024 0.000 1.049 331 E CA -0.172 56.244 56.400 0.025 0.000 0.876 331 E CB 0.881 30.595 29.700 0.024 0.000 1.035 331 E HN 0.283 nan 8.360 nan 0.000 0.419 332 S N 2.567 118.284 115.700 0.028 0.000 2.565 332 S HA 0.019 4.497 4.470 0.013 0.000 0.276 332 S C 1.090 175.704 174.600 0.024 0.000 1.326 332 S CA 0.017 58.233 58.200 0.027 0.000 1.045 332 S CB 0.941 64.160 63.200 0.031 0.000 0.918 332 S HN 0.596 nan 8.310 nan 0.000 0.505 333 S N 4.250 119.962 115.700 0.020 0.000 2.562 333 S HA 0.164 4.642 4.470 0.013 0.000 0.221 333 S C 0.700 175.310 174.600 0.017 0.000 0.975 333 S CA -0.266 57.944 58.200 0.017 0.000 0.918 333 S CB -0.178 63.030 63.200 0.014 0.000 0.772 333 S HN 0.725 nan 8.310 nan 0.000 0.531 334 R N 1.356 121.868 120.500 0.021 0.000 2.756 334 R HA 0.157 4.505 4.340 0.013 0.000 0.264 334 R C -0.054 176.259 176.300 0.020 0.000 1.026 334 R CA -0.083 56.029 56.100 0.021 0.000 1.121 334 R CB 0.156 30.472 30.300 0.026 0.000 0.999 334 R HN 0.244 nan 8.270 nan 0.000 0.449 335 Q N 1.384 121.194 119.800 0.017 0.000 2.364 335 Q HA 0.072 4.419 4.340 0.013 0.000 0.267 335 Q C -0.608 175.404 176.000 0.019 0.000 0.999 335 Q CA -0.069 55.743 55.803 0.014 0.000 0.886 335 Q CB 0.554 29.297 28.738 0.008 0.000 1.243 335 Q HN 0.319 nan 8.270 nan 0.000 0.415 336 L N 5.388 126.622 121.223 0.019 0.000 2.525 336 L HA 0.160 4.507 4.340 0.013 0.000 0.278 336 L C -2.028 174.850 176.870 0.014 0.000 1.218 336 L CA -0.804 54.050 54.840 0.025 0.000 0.878 336 L CB 0.088 42.157 42.059 0.018 0.000 1.127 336 L HN 0.580 nan 8.230 nan 0.000 0.492 337 P HA 0.019 nan 4.420 nan 0.000 0.266 337 P C -0.849 176.444 177.300 -0.011 0.000 1.193 337 P CA -0.056 63.045 63.100 0.001 0.000 0.770 337 P CB 0.291 31.985 31.700 -0.010 0.000 0.836 338 T N 0.977 115.520 114.554 -0.018 0.000 2.845 338 T HA 0.561 4.918 4.350 0.013 0.000 0.288 338 T C 0.088 174.773 174.700 -0.024 0.000 0.980 338 T CA -0.714 61.373 62.100 -0.022 0.000 1.071 338 T CB 0.136 68.994 68.868 -0.017 0.000 0.941 338 T HN 0.445 nan 8.240 nan 0.000 0.487 339 A N 3.559 126.365 122.820 -0.023 0.000 2.531 339 A HA 0.560 4.887 4.320 0.013 0.000 0.236 339 A C 1.006 178.586 177.584 -0.007 0.000 1.062 339 A CA 0.013 52.045 52.037 -0.009 0.000 0.760 339 A CB -0.624 18.369 19.000 -0.011 0.000 0.995 339 A HN 1.418 nan 8.150 nan 0.000 0.501 340 A N 3.433 126.254 122.820 0.002 0.000 2.425 340 A HA 0.553 4.880 4.320 0.013 0.000 0.242 340 A C -1.842 175.746 177.584 0.007 0.000 1.077 340 A CA -0.943 51.090 52.037 -0.006 0.000 0.781 340 A CB -0.777 18.217 19.000 -0.011 0.000 1.020 340 A HN 0.735 nan 8.150 nan 0.000 0.494 341 P HA 0.301 nan 4.420 nan 0.000 0.272 341 P C -0.381 176.926 177.300 0.011 0.000 1.230 341 P CA -0.287 62.816 63.100 0.004 0.000 0.788 341 P CB 0.379 32.080 31.700 0.002 0.000 0.949 342 E N 2.285 122.491 120.200 0.010 0.000 2.392 342 E HA 0.141 4.498 4.350 0.013 0.000 0.264 342 E C -1.741 174.867 176.600 0.013 0.000 1.024 342 E CA -1.115 55.293 56.400 0.013 0.000 0.903 342 E CB -0.459 29.246 29.700 0.009 0.000 0.963 342 E HN 0.357 nan 8.360 nan 0.000 0.432 343 P HA 0.104 nan 4.420 nan 0.000 0.269 343 P C -1.171 176.136 177.300 0.013 0.000 1.215 343 P CA -0.402 62.707 63.100 0.015 0.000 0.780 343 P CB 0.785 32.497 31.700 0.020 0.000 0.898 344 A N 2.131 124.956 122.820 0.009 0.000 2.425 344 A HA 0.167 4.495 4.320 0.013 0.000 0.249 344 A C 0.502 178.088 177.584 0.005 0.000 1.084 344 A CA -0.452 51.588 52.037 0.004 0.000 0.781 344 A CB -0.145 18.854 19.000 -0.001 0.000 1.019 344 A HN 0.571 nan 8.150 nan 0.000 0.490 345 K N 2.471 122.872 120.400 0.003 0.000 2.383 345 K HA 0.329 4.656 4.320 0.013 0.000 0.286 345 K C -0.437 176.154 176.600 -0.015 0.000 1.051 345 K CA -0.238 56.050 56.287 0.002 0.000 0.974 345 K CB 0.241 32.744 32.500 0.005 0.000 0.968 345 K HN 0.455 nan 8.250 nan 0.000 0.475 346 V N 3.993 123.890 119.914 -0.029 0.000 2.881 346 V HA -0.013 4.115 4.120 0.013 0.000 0.303 346 V C 0.010 176.052 176.094 -0.086 0.000 1.070 346 V CA -0.475 61.775 62.300 -0.083 0.000 1.074 346 V CB 1.220 32.961 31.823 -0.137 0.000 1.012 346 V HN 0.839 nan 8.190 nan 0.000 0.482 347 D N 3.071 123.402 120.400 -0.115 0.000 2.458 347 D HA 0.271 4.919 4.640 0.013 0.000 0.243 347 D C -0.090 176.188 176.300 -0.037 0.000 1.146 347 D CA 0.338 54.299 54.000 -0.065 0.000 0.877 347 D CB 0.918 41.688 40.800 -0.050 0.000 1.176 347 D HN 0.492 nan 8.370 nan 0.000 0.461 348 Q N 2.346 122.170 119.800 0.040 0.000 2.294 348 Q HA 0.203 4.550 4.340 0.013 0.000 0.264 348 Q C -1.274 174.775 176.000 0.082 0.000 0.992 348 Q CA -0.781 55.090 55.803 0.113 0.000 0.747 348 Q CB 1.021 29.816 28.738 0.095 0.000 1.262 348 Q HN 0.379 nan 8.270 nan 0.000 0.452 349 D N 1.890 122.345 120.400 0.093 0.000 2.440 349 D HA 0.309 4.956 4.640 0.013 0.000 0.269 349 D C 0.212 176.538 176.300 0.043 0.000 1.249 349 D CA -0.053 53.981 54.000 0.057 0.000 1.055 349 D CB 0.459 41.291 40.800 0.054 0.000 1.104 349 D HN 0.440 nan 8.370 nan 0.000 0.561 350 A N -1.097 121.741 122.820 0.030 0.000 2.302 350 A HA 0.450 4.777 4.320 0.013 0.000 0.219 350 A C 1.075 178.668 177.584 0.015 0.000 1.243 350 A CA 0.508 52.558 52.037 0.021 0.000 0.856 350 A CB -0.983 18.028 19.000 0.018 0.000 0.893 350 A HN 0.561 nan 8.150 nan 0.000 0.491 351 G N -0.483 108.325 108.800 0.013 0.000 3.075 351 G HA2 0.402 4.370 3.960 0.013 0.000 0.156 351 G HA3 0.402 4.370 3.960 0.013 0.000 0.156 351 G C 0.039 174.930 174.900 -0.015 0.000 1.403 351 G CA -0.937 44.163 45.100 -0.000 0.000 1.033 351 G HN 0.410 nan 8.290 nan 0.000 0.589 352 R N -0.496 119.981 120.500 -0.039 0.000 2.623 352 R HA 0.212 4.560 4.340 0.013 0.000 0.271 352 R C -0.512 175.725 176.300 -0.104 0.000 1.043 352 R CA -0.129 55.931 56.100 -0.067 0.000 1.083 352 R CB 0.414 30.664 30.300 -0.083 0.000 0.974 352 R HN 0.181 nan 8.270 nan 0.000 0.436 353 L N 3.760 124.932 121.223 -0.085 0.000 2.331 353 L HA 0.128 4.475 4.340 0.013 0.000 0.278 353 L C 0.719 177.523 176.870 -0.110 0.000 1.106 353 L CA -0.108 54.693 54.840 -0.064 0.000 0.824 353 L CB 0.394 42.426 42.059 -0.046 0.000 1.142 353 L HN 0.373 nan 8.230 nan 0.000 0.443 354 H N 4.128 123.190 119.070 -0.013 0.000 2.652 354 H HA 0.070 4.631 4.556 0.009 0.000 0.349 354 H C -1.540 173.767 175.328 -0.036 0.000 1.099 354 H CA -1.427 54.618 56.048 -0.004 0.000 1.417 354 H CB 1.217 30.988 29.762 0.015 0.000 1.457 354 H HN 0.396 nan 8.280 nan 0.000 0.568 355 P HA -0.167 nan 4.420 nan 0.000 0.216 355 P C 1.046 178.343 177.300 -0.004 0.000 1.150 355 P CA 1.345 64.419 63.100 -0.043 0.000 0.843 355 P CB 0.407 32.177 31.700 0.117 0.000 0.787 356 E N -1.062 119.236 120.200 0.164 0.000 2.085 356 E HA -0.146 4.211 4.350 0.013 0.000 0.194 356 E C 1.957 178.628 176.600 0.117 0.000 0.994 356 E CA 1.833 58.349 56.400 0.193 0.000 0.801 356 E CB -1.357 28.414 29.700 0.119 0.000 0.743 356 E HN 0.268 nan 8.360 nan 0.000 0.453 357 T N 0.242 114.839 114.554 0.072 0.000 2.746 357 T HA -0.136 4.222 4.350 0.013 0.000 0.267 357 T C 2.038 176.729 174.700 -0.014 0.000 1.039 357 T CA 1.286 63.410 62.100 0.041 0.000 1.142 357 T CB -0.365 68.537 68.868 0.058 0.000 0.866 357 T HN -0.022 nan 8.240 nan 0.000 0.444 358 V N 0.904 120.747 119.914 -0.117 0.000 2.295 358 V HA -0.135 3.992 4.120 0.013 0.000 0.246 358 V C 2.186 178.166 176.094 -0.190 0.000 1.049 358 V CA 1.666 63.831 62.300 -0.225 0.000 1.024 358 V CB -0.861 30.706 31.823 -0.426 0.000 0.648 358 V HN 0.365 nan 8.190 nan 0.000 0.447 359 F N 0.503 120.457 119.950 0.007 0.000 2.186 359 F HA -0.071 4.463 4.527 0.012 0.000 0.299 359 F C 2.230 178.011 175.800 -0.031 0.000 1.090 359 F CA 1.188 59.168 58.000 -0.034 0.000 1.307 359 F CB -0.861 38.105 39.000 -0.056 0.000 1.019 359 F HN 0.186 nan 8.300 nan 0.000 0.489 360 D N -0.255 120.238 120.400 0.155 0.000 2.097 360 D HA -0.137 4.510 4.640 0.013 0.000 0.195 360 D C 2.307 178.645 176.300 0.064 0.000 0.989 360 D CA 1.964 56.016 54.000 0.088 0.000 0.827 360 D CB -0.789 40.050 40.800 0.066 0.000 0.966 360 D HN 0.158 nan 8.370 nan 0.000 0.456 361 T N 1.071 115.655 114.554 0.049 0.000 2.708 361 T HA -0.097 4.260 4.350 0.013 0.000 0.266 361 T C 2.224 176.959 174.700 0.058 0.000 1.037 361 T CA 0.570 62.694 62.100 0.039 0.000 1.146 361 T CB -0.370 68.510 68.868 0.019 0.000 0.865 361 T HN 0.112 nan 8.240 nan 0.000 0.435 362 L N 1.037 122.308 121.223 0.079 0.000 2.012 362 L HA -0.177 4.171 4.340 0.013 0.000 0.210 362 L C 2.697 179.655 176.870 0.147 0.000 1.073 362 L CA 1.460 56.381 54.840 0.135 0.000 0.748 362 L CB -0.596 41.583 42.059 0.200 0.000 0.891 362 L HN 0.271 nan 8.230 nan 0.000 0.431 363 N N -0.014 118.749 118.700 0.105 0.000 2.104 363 N HA -0.219 4.528 4.740 0.013 0.000 0.190 363 N C 1.467 177.018 175.510 0.068 0.000 1.024 363 N CA 1.629 54.726 53.050 0.078 0.000 0.853 363 N CB -0.052 38.454 38.487 0.032 0.000 1.008 363 N HN 0.207 nan 8.380 nan 0.000 0.424 364 D N -0.593 119.841 120.400 0.056 0.000 2.117 364 D HA -0.096 4.551 4.640 0.013 0.000 0.197 364 D C 1.781 178.105 176.300 0.041 0.000 0.987 364 D CA 1.139 55.164 54.000 0.041 0.000 0.829 364 D CB -0.049 40.771 40.800 0.034 0.000 0.961 364 D HN 0.449 nan 8.370 nan 0.000 0.460 365 M N -0.022 119.609 119.600 0.050 0.000 2.545 365 M HA 0.192 4.679 4.480 0.013 0.000 0.264 365 M C 0.978 177.304 176.300 0.042 0.000 1.155 365 M CA -0.055 55.270 55.300 0.041 0.000 1.162 365 M CB 0.389 33.011 32.600 0.037 0.000 1.330 365 M HN -0.189 nan 8.290 nan 0.000 0.479 366 A N 2.532 125.394 122.820 0.070 0.000 2.466 366 A HA 0.317 4.645 4.320 0.013 0.000 0.238 366 A C -2.118 175.484 177.584 0.031 0.000 1.074 366 A CA -0.986 51.085 52.037 0.057 0.000 0.774 366 A CB -0.786 18.293 19.000 0.132 0.000 1.015 366 A HN 0.124 nan 8.150 nan 0.000 0.498 367 P HA 0.138 nan 4.420 nan 0.000 0.272 367 P C 0.094 177.389 177.300 -0.009 0.000 1.230 367 P CA -0.141 62.950 63.100 -0.015 0.000 0.788 367 P CB 0.577 32.255 31.700 -0.037 0.000 0.949 368 E N 0.817 121.013 120.200 -0.006 0.000 2.268 368 E HA -0.143 4.214 4.350 0.013 0.000 0.195 368 E C 0.974 177.564 176.600 -0.016 0.000 0.995 368 E CA 0.877 57.276 56.400 -0.001 0.000 0.836 368 E CB -0.200 29.495 29.700 -0.008 0.000 0.763 368 E HN 0.519 nan 8.360 nan 0.000 0.491 369 N N 0.730 119.409 118.700 -0.035 0.000 2.276 369 N HA 0.073 4.821 4.740 0.013 0.000 0.212 369 N C -0.062 175.396 175.510 -0.086 0.000 1.127 369 N CA 0.017 53.038 53.050 -0.048 0.000 0.834 369 N CB 0.039 38.501 38.487 -0.043 0.000 1.014 369 N HN -0.072 nan 8.380 nan 0.000 0.491 370 A N 0.802 123.546 122.820 -0.127 0.000 2.547 370 A HA 0.338 4.665 4.320 0.013 0.000 0.233 370 A C 0.151 177.545 177.584 -0.317 0.000 1.067 370 A CA 0.026 51.892 52.037 -0.285 0.000 0.763 370 A CB -0.019 18.698 19.000 -0.472 0.000 1.007 370 A HN 0.410 nan 8.150 nan 0.000 0.506 371 I N 0.949 121.301 120.570 -0.363 0.000 2.406 371 I HA 0.339 4.516 4.170 0.013 0.000 0.290 371 I C -1.254 174.661 176.117 -0.336 0.000 0.999 371 I CA -0.319 60.853 61.300 -0.213 0.000 1.124 371 I CB 1.452 39.431 38.000 -0.036 0.000 1.289 371 I HN 0.593 nan 8.210 nan 0.000 0.441 372 Y N 6.090 126.403 120.300 0.022 0.000 2.360 372 Y HA 0.599 5.157 4.550 0.013 0.000 0.337 372 Y C -0.457 175.427 175.900 -0.026 0.000 1.039 372 Y CA -0.728 57.381 58.100 0.015 0.000 1.109 372 Y CB 1.595 40.080 38.460 0.041 0.000 1.201 372 Y HN 0.325 nan 8.280 nan 0.000 0.458 373 L N 3.318 124.618 121.223 0.130 0.000 2.346 373 L HA 0.446 4.794 4.340 0.013 0.000 0.276 373 L C -0.559 176.365 176.870 0.090 0.000 1.006 373 L CA -0.591 54.280 54.840 0.051 0.000 0.817 373 L CB 1.535 43.632 42.059 0.063 0.000 1.272 373 L HN 0.558 nan 8.230 nan 0.000 0.421 374 N N 1.832 120.562 118.700 0.049 0.000 2.417 374 N HA 0.297 5.044 4.740 0.013 0.000 0.274 374 N C -0.635 175.090 175.510 0.358 0.000 0.987 374 N CA -0.195 52.999 53.050 0.241 0.000 0.912 374 N CB 1.310 39.991 38.487 0.323 0.000 1.177 374 N HN 0.676 nan 8.380 nan 0.000 0.490 375 E N 1.695 122.079 120.200 0.307 0.000 3.521 375 E HA 0.144 4.501 4.350 0.013 0.000 0.183 375 E C -1.256 175.509 176.600 0.275 0.000 0.981 375 E CA -0.097 56.480 56.400 0.294 0.000 1.349 375 E CB 0.249 30.076 29.700 0.211 0.000 1.102 375 E HN 0.354 nan 8.360 nan 0.000 0.449 376 S N 0.241 116.121 115.700 0.300 0.000 2.488 376 S HA 0.109 4.587 4.470 0.013 0.000 0.310 376 S C 1.182 175.948 174.600 0.276 0.000 1.093 376 S CA -0.224 58.136 58.200 0.267 0.000 1.129 376 S CB 0.540 63.906 63.200 0.276 0.000 0.989 376 S HN 0.414 nan 8.310 nan 0.000 0.479 377 T N 0.838 115.552 114.554 0.267 0.000 2.942 377 T HA -0.086 4.271 4.350 0.013 0.000 0.265 377 T C 1.834 176.639 174.700 0.176 0.000 1.062 377 T CA 1.139 63.403 62.100 0.273 0.000 1.139 377 T CB -0.406 68.642 68.868 0.300 0.000 0.883 377 T HN 0.624 nan 8.240 nan 0.000 0.468 378 S N 1.691 117.482 115.700 0.152 0.000 2.603 378 S HA 0.025 4.502 4.470 0.013 0.000 0.220 378 S C 1.718 176.341 174.600 0.039 0.000 0.967 378 S CA 0.546 58.780 58.200 0.057 0.000 0.920 378 S CB -0.702 62.561 63.200 0.105 0.000 0.773 378 S HN 0.733 nan 8.310 nan 0.000 0.529 379 T N -3.104 111.525 114.554 0.124 0.000 3.145 379 T HA 0.234 4.592 4.350 0.013 0.000 0.281 379 T C 1.165 175.933 174.700 0.113 0.000 1.003 379 T CA 0.151 62.359 62.100 0.180 0.000 0.901 379 T CB -0.188 68.902 68.868 0.370 0.000 1.112 379 T HN 0.157 nan 8.240 nan 0.000 0.535 380 T N 2.138 116.727 114.554 0.059 0.000 2.720 380 T HA -0.014 4.343 4.350 0.013 0.000 0.268 380 T C 2.372 177.087 174.700 0.025 0.000 1.037 380 T CA 1.587 63.711 62.100 0.040 0.000 1.144 380 T CB -0.643 68.223 68.868 -0.004 0.000 0.864 380 T HN 0.644 nan 8.240 nan 0.000 0.444 381 A N 1.397 124.197 122.820 -0.034 0.000 1.877 381 A HA -0.181 4.147 4.320 0.013 0.000 0.216 381 A C 2.278 179.846 177.584 -0.027 0.000 1.186 381 A CA 1.684 53.697 52.037 -0.039 0.000 0.620 381 A CB -0.688 18.261 19.000 -0.085 0.000 0.822 381 A HN 0.495 nan 8.150 nan 0.000 0.443 382 Q N -1.121 118.651 119.800 -0.047 0.000 2.167 382 Q HA -0.039 4.308 4.340 0.013 0.000 0.202 382 Q C 2.059 177.876 176.000 -0.305 0.000 0.970 382 Q CA 1.544 57.315 55.803 -0.053 0.000 0.855 382 Q CB -0.369 28.431 28.738 0.104 0.000 0.911 382 Q HN 0.791 nan 8.270 nan 0.000 0.438 383 M N -1.237 117.985 119.600 -0.629 0.000 2.132 383 M HA -0.145 4.342 4.480 0.013 0.000 0.263 383 M C 0.969 176.898 176.300 -0.618 0.000 1.065 383 M CA 1.515 56.103 55.300 -1.188 0.000 1.122 383 M CB 0.006 31.929 32.600 -1.128 0.000 1.365 383 M HN 0.268 nan 8.290 nan 0.000 0.411 384 W N 0.788 121.841 121.300 -0.412 0.000 2.436 384 W HA -0.100 4.567 4.660 0.012 0.000 0.284 384 W C 2.355 178.770 176.519 -0.174 0.000 1.225 384 W CA 1.100 58.267 57.345 -0.297 0.000 1.271 384 W CB -0.141 29.176 29.460 -0.239 0.000 1.114 384 W HN 0.328 nan 8.180 nan 0.000 0.559 385 Q N -0.455 119.375 119.800 0.051 0.000 2.123 385 Q HA -0.092 4.256 4.340 0.013 0.000 0.199 385 Q C 1.925 177.915 176.000 -0.017 0.000 0.966 385 Q CA 1.165 56.992 55.803 0.039 0.000 0.845 385 Q CB -0.140 28.611 28.738 0.021 0.000 0.907 385 Q HN 0.290 nan 8.270 nan 0.000 0.439 386 R N -0.584 119.857 120.500 -0.097 0.000 2.308 386 R HA 0.231 4.578 4.340 0.013 0.000 0.202 386 R C -0.064 176.171 176.300 -0.107 0.000 0.898 386 R CA -0.050 56.013 56.100 -0.062 0.000 1.046 386 R CB 0.618 30.928 30.300 0.016 0.000 1.026 386 R HN 0.076 nan 8.270 nan 0.000 0.512 387 L N 1.524 122.607 121.223 -0.233 0.000 2.272 387 L HA 0.274 4.622 4.340 0.013 0.000 0.289 387 L C -0.303 176.438 176.870 -0.214 0.000 1.032 387 L CA -0.509 54.157 54.840 -0.291 0.000 0.810 387 L CB 1.461 43.157 42.059 -0.606 0.000 1.205 387 L HN 0.094 nan 8.230 nan 0.000 0.422 388 N N 4.685 123.315 118.700 -0.118 0.000 2.402 388 N HA 0.308 5.056 4.740 0.013 0.000 0.252 388 N C -0.821 174.645 175.510 -0.073 0.000 1.118 388 N CA -0.397 52.600 53.050 -0.089 0.000 0.945 388 N CB 0.526 38.987 38.487 -0.042 0.000 1.147 388 N HN 0.558 nan 8.380 nan 0.000 0.495 389 M N 3.660 123.180 119.600 -0.133 0.000 2.027 389 M HA 0.240 4.727 4.480 0.013 0.000 0.329 389 M C 0.823 177.047 176.300 -0.127 0.000 0.971 389 M CA -0.435 54.806 55.300 -0.098 0.000 0.933 389 M CB 1.454 33.962 32.600 -0.154 0.000 1.392 389 M HN 0.467 nan 8.290 nan 0.000 0.394 390 R N 0.387 120.835 120.500 -0.086 0.000 2.153 390 R HA 0.105 4.453 4.340 0.013 0.000 0.218 390 R C 0.263 176.497 176.300 -0.111 0.000 1.072 390 R CA 0.732 56.771 56.100 -0.101 0.000 0.990 390 R CB 0.158 30.418 30.300 -0.068 0.000 0.889 390 R HN 0.593 nan 8.270 nan 0.000 0.452 391 N N 0.832 119.481 118.700 -0.084 0.000 2.384 391 N HA 0.302 5.050 4.740 0.013 0.000 0.301 391 N C -2.653 172.817 175.510 -0.066 0.000 1.133 391 N CA -1.761 51.246 53.050 -0.071 0.000 0.853 391 N CB 1.355 39.813 38.487 -0.048 0.000 1.241 391 N HN -0.222 nan 8.380 nan 0.000 0.502 392 P HA 0.079 nan 4.420 nan 0.000 0.271 392 P C 0.552 177.841 177.300 -0.019 0.000 1.233 392 P CA 0.297 63.377 63.100 -0.033 0.000 0.789 392 P CB 0.261 31.950 31.700 -0.018 0.000 0.951 393 G N 0.498 109.287 108.800 -0.017 0.000 2.305 393 G HA2 -0.268 3.700 3.960 0.013 0.000 0.287 393 G HA3 -0.268 3.700 3.960 0.013 0.000 0.287 393 G C 0.653 175.538 174.900 -0.025 0.000 1.036 393 G CA 0.543 45.647 45.100 0.005 0.000 0.887 393 G HN 0.450 nan 8.290 nan 0.000 0.505 394 S N -1.655 113.991 115.700 -0.089 0.000 2.523 394 S HA 0.362 4.839 4.470 0.013 0.000 0.217 394 S C 0.020 174.634 174.600 0.024 0.000 0.996 394 S CA 0.219 58.408 58.200 -0.017 0.000 0.921 394 S CB 0.545 63.748 63.200 0.005 0.000 0.829 394 S HN 0.719 nan 8.310 nan 0.000 0.495 395 Y N 0.746 120.832 120.300 -0.358 0.000 2.470 395 Y HA 0.567 5.125 4.550 0.012 0.000 0.341 395 Y C -2.066 173.498 175.900 -0.561 0.000 1.021 395 Y CA -1.338 56.582 58.100 -0.300 0.000 1.025 395 Y CB 1.071 39.331 38.460 -0.335 0.000 1.266 395 Y HN 0.031 nan 8.280 nan 0.000 0.448 396 Y N 6.217 126.281 120.300 -0.393 0.000 2.492 396 Y HA 0.597 5.154 4.550 0.012 0.000 0.346 396 Y C -1.403 174.385 175.900 -0.186 0.000 0.997 396 Y CA -1.258 56.782 58.100 -0.100 0.000 1.025 396 Y CB 2.182 40.746 38.460 0.173 0.000 1.263 396 Y HN 0.579 nan 8.280 nan 0.000 0.454 397 F N 2.329 122.299 119.950 0.034 0.000 2.608 397 F HA 0.553 5.087 4.527 0.012 0.000 0.309 397 F C -0.508 175.190 175.800 -0.169 0.000 1.103 397 F CA -1.811 56.212 58.000 0.038 0.000 0.954 397 F CB 0.979 40.085 39.000 0.175 0.000 1.267 397 F HN 0.740 nan 8.300 nan 0.000 0.444 398 C N 4.245 122.878 119.300 -1.112 0.000 2.551 398 C HA 0.453 4.920 4.460 0.013 0.000 0.400 398 C C 1.556 176.007 174.990 -0.899 0.000 1.460 398 C CA 0.018 58.328 59.018 -1.179 0.000 1.447 398 C CB -1.225 26.053 27.740 -0.770 0.000 2.401 398 C HN 1.031 nan 8.230 nan 0.000 0.623 399 A N 3.328 125.774 122.820 -0.623 0.000 2.015 399 A HA 0.292 4.620 4.320 0.013 0.000 0.219 399 A C 2.175 179.647 177.584 -0.187 0.000 1.163 399 A CA 1.483 53.356 52.037 -0.273 0.000 0.646 399 A CB -0.354 18.509 19.000 -0.227 0.000 0.806 399 A HN 1.629 nan 8.150 nan 0.000 0.448 400 A N -1.877 120.807 122.820 -0.226 0.000 2.465 400 A HA 0.471 4.799 4.320 0.013 0.000 0.255 400 A C 1.512 178.990 177.584 -0.178 0.000 1.274 400 A CA 0.878 52.832 52.037 -0.139 0.000 0.920 400 A CB -0.818 18.136 19.000 -0.077 0.000 1.033 400 A HN 1.760 nan 8.150 nan 0.000 0.516 401 G N -0.988 107.648 108.800 -0.273 0.000 2.153 401 G HA2 -0.106 3.861 3.960 0.013 0.000 0.252 401 G HA3 -0.106 3.861 3.960 0.013 0.000 0.252 401 G C 0.656 175.407 174.900 -0.248 0.000 0.994 401 G CA 0.204 45.147 45.100 -0.262 0.000 0.698 401 G HN 1.472 nan 8.290 nan 0.000 0.521 402 G N 0.344 108.986 108.800 -0.263 0.000 2.448 402 G HA2 0.567 4.535 3.960 0.013 0.000 0.309 402 G HA3 0.567 4.535 3.960 0.013 0.000 0.309 402 G C 0.593 175.348 174.900 -0.241 0.000 1.027 402 G CA -0.607 44.362 45.100 -0.219 0.000 1.104 402 G HN 0.607 nan 8.290 nan 0.000 0.428 403 L N 1.624 122.632 121.223 -0.359 0.000 2.483 403 L HA 0.324 4.672 4.340 0.013 0.000 0.275 403 L C 1.558 178.207 176.870 -0.368 0.000 1.220 403 L CA 1.007 55.583 54.840 -0.440 0.000 0.833 403 L CB 0.637 42.212 42.059 -0.808 0.000 1.102 403 L HN 0.799 nan 8.230 nan 0.000 0.490 404 G N 1.711 110.463 108.800 -0.080 0.000 2.141 404 G HA2 -0.328 3.639 3.960 0.013 0.000 0.231 404 G HA3 -0.328 3.639 3.960 0.013 0.000 0.231 404 G C 0.218 175.182 174.900 0.108 0.000 0.984 404 G CA 0.378 45.540 45.100 0.104 0.000 0.660 404 G HN 0.687 nan 8.290 nan 0.000 0.525 405 F N 1.289 121.205 119.950 -0.057 0.000 2.274 405 F HA 0.513 5.048 4.527 0.012 0.000 0.288 405 F C 2.456 178.245 175.800 -0.018 0.000 1.069 405 F CA 1.799 59.763 58.000 -0.059 0.000 1.343 405 F CB -0.412 38.516 39.000 -0.120 0.000 1.089 405 F HN 0.231 nan 8.300 nan 0.000 0.517 406 A N 1.183 123.987 122.820 -0.027 0.000 1.877 406 A HA -0.155 4.172 4.320 0.013 0.000 0.216 406 A C 2.293 179.824 177.584 -0.087 0.000 1.186 406 A CA 1.869 53.845 52.037 -0.103 0.000 0.620 406 A CB -1.332 17.743 19.000 0.125 0.000 0.822 406 A HN 0.582 nan 8.150 nan 0.000 0.443 407 L N 0.133 121.380 121.223 0.041 0.000 1.976 407 L HA -0.089 4.258 4.340 0.013 0.000 0.209 407 L C -0.410 176.526 176.870 0.110 0.000 1.071 407 L CA 2.015 56.952 54.840 0.161 0.000 0.746 407 L CB -0.754 41.369 42.059 0.107 0.000 0.890 407 L HN 0.265 nan 8.230 nan 0.000 0.432 408 P HA -0.138 nan 4.420 nan 0.000 0.217 408 P C 1.271 178.468 177.300 -0.172 0.000 1.151 408 P CA 1.938 65.003 63.100 -0.058 0.000 0.828 408 P CB -0.097 31.561 31.700 -0.070 0.000 0.788 409 A N 0.737 123.310 122.820 -0.412 0.000 1.933 409 A HA -0.060 4.268 4.320 0.013 0.000 0.218 409 A C 2.502 179.864 177.584 -0.369 0.000 1.175 409 A CA 2.052 53.738 52.037 -0.584 0.000 0.628 409 A CB -1.554 16.619 19.000 -1.379 0.000 0.814 409 A HN 0.217 nan 8.150 nan 0.000 0.444 410 A N 0.146 122.816 122.820 -0.249 0.000 1.917 410 A HA -0.163 4.165 4.320 0.013 0.000 0.219 410 A C 2.093 179.609 177.584 -0.114 0.000 1.182 410 A CA 1.727 53.667 52.037 -0.162 0.000 0.633 410 A CB -0.628 18.296 19.000 -0.127 0.000 0.819 410 A HN 0.541 nan 8.150 nan 0.000 0.448 411 I N -0.693 119.868 120.570 -0.015 0.000 2.286 411 I HA -0.131 4.047 4.170 0.013 0.000 0.245 411 I C 2.678 178.809 176.117 0.024 0.000 1.104 411 I CA 0.988 62.316 61.300 0.045 0.000 1.397 411 I CB -0.620 37.455 38.000 0.125 0.000 1.072 411 I HN 0.383 nan 8.210 nan 0.000 0.417 412 G N 0.636 109.424 108.800 -0.020 0.000 2.402 412 G HA2 -0.152 3.816 3.960 0.013 0.000 0.216 412 G HA3 -0.152 3.816 3.960 0.013 0.000 0.216 412 G C 1.722 176.648 174.900 0.042 0.000 1.162 412 G CA 0.709 45.832 45.100 0.039 0.000 0.777 412 G HN 0.210 nan 8.290 nan 0.000 0.539 413 V N 0.588 120.435 119.914 -0.112 0.000 2.295 413 V HA -0.231 3.896 4.120 0.013 0.000 0.246 413 V C 2.788 178.842 176.094 -0.067 0.000 1.049 413 V CA 2.293 64.504 62.300 -0.149 0.000 1.024 413 V CB -0.500 31.183 31.823 -0.233 0.000 0.648 413 V HN 0.409 nan 8.190 nan 0.000 0.447 414 Q N -0.219 119.548 119.800 -0.054 0.000 2.135 414 Q HA -0.214 4.133 4.340 0.013 0.000 0.204 414 Q C 1.960 177.972 176.000 0.021 0.000 0.981 414 Q CA 1.874 57.657 55.803 -0.034 0.000 0.856 414 Q CB -0.589 28.117 28.738 -0.053 0.000 0.902 414 Q HN 0.538 nan 8.270 nan 0.000 0.425 415 L N -0.131 121.142 121.223 0.083 0.000 2.046 415 L HA -0.034 4.314 4.340 0.013 0.000 0.208 415 L C 2.010 179.002 176.870 0.204 0.000 1.077 415 L CA 2.231 57.169 54.840 0.164 0.000 0.747 415 L CB -0.966 41.235 42.059 0.236 0.000 0.896 415 L HN 0.248 nan 8.230 nan 0.000 0.432 416 A N -1.680 121.212 122.820 0.121 0.000 2.014 416 A HA -0.025 4.302 4.320 0.013 0.000 0.218 416 A C 1.119 178.650 177.584 -0.088 0.000 1.163 416 A CA 0.986 52.933 52.037 -0.150 0.000 0.652 416 A CB -0.211 18.518 19.000 -0.451 0.000 0.808 416 A HN 0.442 nan 8.150 nan 0.000 0.449 417 E N -0.499 119.675 120.200 -0.044 0.000 3.303 417 E HA 0.165 4.523 4.350 0.013 0.000 0.215 417 E C -2.151 174.434 176.600 -0.024 0.000 1.181 417 E CA -1.681 54.696 56.400 -0.038 0.000 0.998 417 E CB 0.877 30.552 29.700 -0.041 0.000 1.312 417 E HN 0.353 nan 8.360 nan 0.000 0.412 418 P HA -0.144 nan 4.420 nan 0.000 0.218 418 P C 0.708 177.998 177.300 -0.017 0.000 1.148 418 P CA 1.180 64.277 63.100 -0.005 0.000 0.822 418 P CB 0.558 32.262 31.700 0.007 0.000 0.784 419 E N -0.622 119.566 120.200 -0.021 0.000 2.479 419 E HA 0.077 4.434 4.350 0.013 0.000 0.193 419 E C 0.684 177.263 176.600 -0.035 0.000 1.049 419 E CA 0.179 56.564 56.400 -0.025 0.000 0.870 419 E CB 0.188 29.875 29.700 -0.021 0.000 0.944 419 E HN 0.405 nan 8.360 nan 0.000 0.492 420 R N 1.416 121.890 120.500 -0.043 0.000 2.387 420 R HA 0.239 4.587 4.340 0.013 0.000 0.314 420 R C -0.229 176.022 176.300 -0.081 0.000 0.958 420 R CA -0.731 55.334 56.100 -0.060 0.000 0.846 420 R CB 1.272 31.540 30.300 -0.054 0.000 1.147 420 R HN -0.140 nan 8.270 nan 0.000 0.447 421 Q N 2.664 122.403 119.800 -0.102 0.000 2.296 421 Q HA 0.131 4.479 4.340 0.013 0.000 0.263 421 Q C -0.869 175.021 176.000 -0.183 0.000 1.026 421 Q CA -0.040 55.688 55.803 -0.126 0.000 0.912 421 Q CB 0.970 29.638 28.738 -0.117 0.000 1.198 421 Q HN 0.387 nan 8.270 nan 0.000 0.407 422 V N 6.736 126.544 119.914 -0.176 0.000 2.530 422 V HA 0.326 4.453 4.120 0.013 0.000 0.282 422 V C 0.197 176.141 176.094 -0.250 0.000 1.048 422 V CA -0.241 61.934 62.300 -0.209 0.000 0.997 422 V CB 0.794 32.510 31.823 -0.178 0.000 0.987 422 V HN 0.720 nan 8.190 nan 0.000 0.477 423 I N 4.333 124.750 120.570 -0.255 0.000 2.439 423 I HA 0.566 4.744 4.170 0.013 0.000 0.283 423 I C 0.203 176.287 176.117 -0.056 0.000 1.023 423 I CA -0.452 60.745 61.300 -0.171 0.000 1.100 423 I CB 1.656 39.590 38.000 -0.110 0.000 1.238 423 I HN 0.636 nan 8.210 nan 0.000 0.445 424 A N 6.765 129.524 122.820 -0.102 0.000 2.252 424 A HA 0.672 5.000 4.320 0.013 0.000 0.309 424 A C -0.321 177.331 177.584 0.113 0.000 1.285 424 A CA -0.408 51.637 52.037 0.013 0.000 0.900 424 A CB 0.538 19.526 19.000 -0.020 0.000 1.157 424 A HN 0.463 nan 8.150 nan 0.000 0.536 425 V N 4.842 124.865 119.914 0.181 0.000 2.333 425 V HA 0.420 4.548 4.120 0.013 0.000 0.274 425 V C -0.202 176.009 176.094 0.195 0.000 1.028 425 V CA 0.069 62.487 62.300 0.197 0.000 0.851 425 V CB 0.279 32.279 31.823 0.295 0.000 1.000 425 V HN 0.720 nan 8.190 nan 0.000 0.456 426 I N 3.519 124.178 120.570 0.148 0.000 2.569 426 I HA 0.583 4.761 4.170 0.013 0.000 0.290 426 I C 0.839 177.007 176.117 0.084 0.000 1.088 426 I CA -0.448 60.939 61.300 0.144 0.000 1.047 426 I CB 2.128 40.218 38.000 0.149 0.000 1.237 426 I HN 0.666 nan 8.210 nan 0.000 0.421 427 G N 2.801 111.677 108.800 0.127 0.000 2.606 427 G HA2 0.082 4.049 3.960 0.013 0.000 0.252 427 G HA3 0.082 4.049 3.960 0.013 0.000 0.252 427 G C 0.822 175.749 174.900 0.044 0.000 1.206 427 G CA -0.216 44.943 45.100 0.099 0.000 0.861 427 G HN 0.825 nan 8.290 nan 0.000 0.561 428 D N 0.433 120.828 120.400 -0.010 0.000 2.144 428 D HA -0.119 4.529 4.640 0.013 0.000 0.199 428 D C 2.170 178.638 176.300 0.280 0.000 0.984 428 D CA 1.383 55.377 54.000 -0.010 0.000 0.834 428 D CB -0.836 40.021 40.800 0.095 0.000 0.955 428 D HN 0.470 nan 8.370 nan 0.000 0.465 429 G N 0.495 109.461 108.800 0.277 0.000 2.433 429 G HA2 -0.242 3.726 3.960 0.013 0.000 0.216 429 G HA3 -0.242 3.726 3.960 0.013 0.000 0.216 429 G C 1.849 177.085 174.900 0.559 0.000 1.186 429 G CA 1.088 46.449 45.100 0.435 0.000 0.779 429 G HN 0.363 nan 8.290 nan 0.000 0.543 430 S N 0.953 116.948 115.700 0.492 0.000 2.447 430 S HA 0.104 4.581 4.470 0.013 0.000 0.233 430 S C 2.627 177.488 174.600 0.434 0.000 1.006 430 S CA 0.865 59.359 58.200 0.491 0.000 0.957 430 S CB -0.172 63.197 63.200 0.282 0.000 0.773 430 S HN 0.580 nan 8.310 nan 0.000 0.507 431 A N 2.136 125.150 122.820 0.324 0.000 2.019 431 A HA -0.122 4.205 4.320 0.013 0.000 0.219 431 A C 1.757 179.518 177.584 0.295 0.000 1.164 431 A CA 1.498 53.700 52.037 0.274 0.000 0.644 431 A CB -0.596 18.544 19.000 0.233 0.000 0.805 431 A HN 0.611 nan 8.150 nan 0.000 0.449 432 N N -1.812 117.064 118.700 0.292 0.000 2.376 432 N HA -0.035 4.713 4.740 0.013 0.000 0.177 432 N C 1.254 176.805 175.510 0.069 0.000 1.024 432 N CA 0.947 54.080 53.050 0.138 0.000 0.893 432 N CB -0.305 38.200 38.487 0.031 0.000 0.980 432 N HN 0.580 nan 8.380 nan 0.000 0.439 433 Y N 0.641 121.017 120.300 0.128 0.000 2.165 433 Y HA -0.035 4.522 4.550 0.012 0.000 0.286 433 Y C 1.314 177.254 175.900 0.067 0.000 1.155 433 Y CA 0.789 58.945 58.100 0.094 0.000 1.164 433 Y CB 0.062 38.576 38.460 0.089 0.000 0.978 433 Y HN -0.050 nan 8.280 nan 0.000 0.513 434 S N -0.741 115.087 115.700 0.213 0.000 2.751 434 S HA 0.137 4.615 4.470 0.013 0.000 0.247 434 S C 1.144 175.772 174.600 0.046 0.000 1.103 434 S CA -0.313 57.951 58.200 0.107 0.000 1.090 434 S CB -0.103 63.151 63.200 0.090 0.000 0.928 434 S HN 0.222 nan 8.310 nan 0.000 0.502 435 I N 2.853 123.460 120.570 0.063 0.000 2.335 435 I HA -0.178 3.999 4.170 0.013 0.000 0.251 435 I C 2.304 178.357 176.117 -0.107 0.000 1.129 435 I CA 1.643 62.969 61.300 0.043 0.000 1.402 435 I CB -0.315 37.765 38.000 0.133 0.000 1.069 435 I HN 0.453 nan 8.210 nan 0.000 0.424 436 S N 0.571 116.167 115.700 -0.173 0.000 2.469 436 S HA -0.070 4.407 4.470 0.013 0.000 0.238 436 S C 2.183 176.521 174.600 -0.437 0.000 0.998 436 S CA 0.680 58.565 58.200 -0.525 0.000 0.957 436 S CB -0.972 62.086 63.200 -0.237 0.000 0.764 436 S HN 0.493 nan 8.310 nan 0.000 0.514 437 A N 1.949 124.652 122.820 -0.195 0.000 2.070 437 A HA 0.138 4.466 4.320 0.013 0.000 0.220 437 A C 2.156 179.687 177.584 -0.090 0.000 1.159 437 A CA 1.075 53.066 52.037 -0.078 0.000 0.656 437 A CB -0.814 18.168 19.000 -0.029 0.000 0.800 437 A HN 0.574 nan 8.150 nan 0.000 0.453 438 L N -2.564 118.521 121.223 -0.230 0.000 2.081 438 L HA -0.242 4.106 4.340 0.013 0.000 0.212 438 L C 2.435 179.291 176.870 -0.023 0.000 1.080 438 L CA 1.708 56.428 54.840 -0.200 0.000 0.754 438 L CB -0.472 41.486 42.059 -0.168 0.000 0.893 438 L HN 0.784 nan 8.230 nan 0.000 0.433 439 W N 0.903 122.034 121.300 -0.281 0.000 2.342 439 W HA -0.231 4.436 4.660 0.012 0.000 0.297 439 W C 2.493 179.026 176.519 0.024 0.000 1.213 439 W CA 2.149 59.450 57.345 -0.073 0.000 1.251 439 W CB -0.246 29.135 29.460 -0.132 0.000 1.136 439 W HN -0.030 nan 8.180 nan 0.000 0.526 440 T N 0.358 115.033 114.554 0.202 0.000 2.821 440 T HA -0.148 4.210 4.350 0.013 0.000 0.267 440 T C 1.975 176.737 174.700 0.104 0.000 1.046 440 T CA 1.736 63.942 62.100 0.176 0.000 1.139 440 T CB -0.874 68.159 68.868 0.275 0.000 0.871 440 T HN 0.248 nan 8.240 nan 0.000 0.454 441 A N 1.718 124.595 122.820 0.094 0.000 1.865 441 A HA 0.061 4.389 4.320 0.013 0.000 0.217 441 A C 2.664 180.268 177.584 0.032 0.000 1.191 441 A CA 2.019 54.129 52.037 0.123 0.000 0.623 441 A CB -1.260 17.887 19.000 0.244 0.000 0.826 441 A HN 0.507 nan 8.150 nan 0.000 0.444 442 A N -1.308 121.478 122.820 -0.056 0.000 1.865 442 A HA -0.208 4.120 4.320 0.013 0.000 0.217 442 A C 2.146 179.569 177.584 -0.268 0.000 1.191 442 A CA 1.783 53.740 52.037 -0.134 0.000 0.623 442 A CB -0.534 18.378 19.000 -0.148 0.000 0.826 442 A HN 0.515 nan 8.150 nan 0.000 0.444 443 Q N -1.528 117.958 119.800 -0.523 0.000 2.119 443 Q HA -0.108 4.240 4.340 0.013 0.000 0.201 443 Q C 1.203 176.849 176.000 -0.590 0.000 0.972 443 Q CA 1.386 56.757 55.803 -0.720 0.000 0.847 443 Q CB -0.283 27.656 28.738 -1.332 0.000 0.903 443 Q HN 0.886 nan 8.270 nan 0.000 0.433 444 Y N 0.041 120.212 120.300 -0.215 0.000 2.468 444 Y HA 0.119 4.676 4.550 0.012 0.000 0.268 444 Y C 0.307 176.163 175.900 -0.073 0.000 1.177 444 Y CA -0.369 57.661 58.100 -0.116 0.000 1.265 444 Y CB 0.082 38.492 38.460 -0.083 0.000 1.103 444 Y HN 0.118 nan 8.280 nan 0.000 0.522 445 N N 1.353 120.061 118.700 0.013 0.000 2.696 445 N HA -0.219 4.528 4.740 0.013 0.000 0.256 445 N C -1.237 174.303 175.510 0.049 0.000 1.031 445 N CA 0.324 53.383 53.050 0.015 0.000 0.730 445 N CB -1.272 37.212 38.487 -0.005 0.000 0.894 445 N HN 0.387 nan 8.380 nan 0.000 0.544 446 I N 1.122 121.734 120.570 0.071 0.000 2.307 446 I HA 0.274 4.452 4.170 0.013 0.000 0.289 446 I C -1.565 174.583 176.117 0.051 0.000 1.021 446 I CA -2.063 59.276 61.300 0.066 0.000 1.224 446 I CB 1.538 39.590 38.000 0.086 0.000 1.376 446 I HN 0.054 nan 8.210 nan 0.000 0.470 447 P HA 0.085 nan 4.420 nan 0.000 0.243 447 P C -0.057 177.205 177.300 -0.064 0.000 1.668 447 P CA -0.232 62.866 63.100 -0.003 0.000 0.898 447 P CB -0.492 31.201 31.700 -0.011 0.000 1.637 448 T N 1.030 115.515 114.554 -0.115 0.000 2.937 448 T HA 0.107 4.465 4.350 0.013 0.000 0.316 448 T C 0.743 175.175 174.700 -0.446 0.000 1.079 448 T CA 0.559 62.447 62.100 -0.354 0.000 1.131 448 T CB 0.439 68.953 68.868 -0.591 0.000 1.000 448 T HN 0.056 nan 8.240 nan 0.000 0.549 449 I N 2.532 122.815 120.570 -0.478 0.000 2.354 449 I HA 0.356 4.533 4.170 0.013 0.000 0.292 449 I C -0.745 175.088 176.117 -0.474 0.000 0.989 449 I CA -0.643 60.466 61.300 -0.318 0.000 1.188 449 I CB 0.963 38.880 38.000 -0.139 0.000 1.342 449 I HN 0.505 nan 8.210 nan 0.000 0.457 450 F N 5.857 125.822 119.950 0.024 0.000 2.361 450 F HA 0.387 4.922 4.527 0.012 0.000 0.364 450 F C 0.026 175.837 175.800 0.018 0.000 1.117 450 F CA -0.870 57.146 58.000 0.027 0.000 1.071 450 F CB 1.271 40.292 39.000 0.035 0.000 1.188 450 F HN 0.021 nan 8.300 nan 0.000 0.464 451 V N 5.585 125.581 119.914 0.136 0.000 2.333 451 V HA 0.302 4.429 4.120 0.013 0.000 0.274 451 V C 0.058 176.179 176.094 0.044 0.000 1.028 451 V CA -0.554 61.791 62.300 0.074 0.000 0.851 451 V CB 0.822 32.677 31.823 0.052 0.000 1.000 451 V HN 0.424 nan 8.190 nan 0.000 0.456 452 I N 6.147 126.703 120.570 -0.023 0.000 2.312 452 I HA 0.374 4.552 4.170 0.013 0.000 0.290 452 I C 0.125 176.148 176.117 -0.156 0.000 1.008 452 I CA -0.542 60.666 61.300 -0.152 0.000 1.226 452 I CB 1.578 39.340 38.000 -0.396 0.000 1.371 452 I HN 0.463 nan 8.210 nan 0.000 0.468 453 M N 5.629 125.162 119.600 -0.113 0.000 2.435 453 M HA 0.159 4.647 4.480 0.013 0.000 0.344 453 M C 0.219 176.477 176.300 -0.071 0.000 1.329 453 M CA -0.220 55.036 55.300 -0.072 0.000 1.320 453 M CB -0.641 31.948 32.600 -0.019 0.000 1.309 453 M HN 0.341 nan 8.290 nan 0.000 0.451 454 N N 3.647 122.302 118.700 -0.076 0.000 2.555 454 N HA 0.061 4.809 4.740 0.013 0.000 0.244 454 N C 0.311 175.832 175.510 0.018 0.000 1.114 454 N CA 0.013 53.050 53.050 -0.022 0.000 0.963 454 N CB 0.271 38.772 38.487 0.023 0.000 1.276 454 N HN 0.429 nan 8.380 nan 0.000 0.510 455 N N 2.098 120.818 118.700 0.033 0.000 2.230 455 N HA 0.122 4.869 4.740 0.013 0.000 0.202 455 N C 0.967 176.505 175.510 0.046 0.000 1.119 455 N CA 0.308 53.381 53.050 0.038 0.000 0.851 455 N CB -0.082 38.435 38.487 0.049 0.000 0.990 455 N HN 0.406 nan 8.380 nan 0.000 0.497 456 G N -1.397 107.436 108.800 0.055 0.000 2.153 456 G HA2 -0.229 3.738 3.960 0.013 0.000 0.252 456 G HA3 -0.229 3.738 3.960 0.013 0.000 0.252 456 G C -0.050 174.853 174.900 0.005 0.000 0.994 456 G CA 0.725 45.849 45.100 0.040 0.000 0.698 456 G HN 0.814 nan 8.290 nan 0.000 0.521 457 T N -1.839 112.720 114.554 0.008 0.000 2.786 457 T HA 0.478 4.835 4.350 0.013 0.000 0.316 457 T C -1.377 173.359 174.700 0.059 0.000 1.503 457 T CA -0.550 61.545 62.100 -0.008 0.000 1.019 457 T CB 0.747 69.653 68.868 0.064 0.000 1.415 457 T HN 0.398 nan 8.240 nan 0.000 0.496 458 Y N 2.736 123.125 120.300 0.149 0.000 2.568 458 Y HA 0.330 4.888 4.550 0.013 0.000 0.338 458 Y C 1.638 177.650 175.900 0.188 0.000 1.245 458 Y CA -0.143 58.063 58.100 0.177 0.000 1.667 458 Y CB -0.059 38.510 38.460 0.181 0.000 1.568 458 Y HN 0.832 nan 8.280 nan 0.000 0.471 459 G N 1.611 110.602 108.800 0.319 0.000 2.446 459 G HA2 -0.294 3.673 3.960 0.013 0.000 0.217 459 G HA3 -0.294 3.673 3.960 0.013 0.000 0.217 459 G C 1.778 176.864 174.900 0.310 0.000 1.168 459 G CA 0.906 46.164 45.100 0.264 0.000 0.771 459 G HN 0.637 nan 8.290 nan 0.000 0.551 460 A N 0.748 123.763 122.820 0.326 0.000 2.067 460 A HA 0.410 4.738 4.320 0.013 0.000 0.219 460 A C 2.701 180.616 177.584 0.551 0.000 1.158 460 A CA 1.885 54.157 52.037 0.392 0.000 0.661 460 A CB -0.460 18.751 19.000 0.352 0.000 0.801 460 A HN 0.709 nan 8.150 nan 0.000 0.452 461 A N 0.039 123.114 122.820 0.426 0.000 1.897 461 A HA -0.099 4.229 4.320 0.013 0.000 0.215 461 A C 2.216 180.009 177.584 0.349 0.000 1.181 461 A CA 1.295 53.555 52.037 0.371 0.000 0.620 461 A CB -0.401 18.757 19.000 0.263 0.000 0.821 461 A HN 0.516 nan 8.150 nan 0.000 0.443 462 R N -2.133 118.558 120.500 0.317 0.000 2.096 462 R HA -0.192 4.155 4.340 0.013 0.000 0.235 462 R C 1.981 178.428 176.300 0.244 0.000 1.127 462 R CA 1.536 57.783 56.100 0.244 0.000 0.968 462 R CB -0.354 30.074 30.300 0.214 0.000 0.861 462 R HN 0.791 nan 8.270 nan 0.000 0.440 463 W N 0.715 122.085 121.300 0.117 0.000 2.353 463 W HA -0.183 4.483 4.660 0.010 0.000 0.319 463 W C 1.579 178.092 176.519 -0.011 0.000 1.207 463 W CA 1.369 58.727 57.345 0.022 0.000 1.291 463 W CB -0.552 28.886 29.460 -0.037 0.000 1.159 463 W HN -0.086 nan 8.180 nan 0.000 0.478 464 F N 0.871 120.946 119.950 0.209 0.000 2.202 464 F HA -0.209 4.326 4.527 0.013 0.000 0.301 464 F C 2.540 178.276 175.800 -0.106 0.000 1.082 464 F CA 2.129 60.110 58.000 -0.031 0.000 1.313 464 F CB -1.283 37.811 39.000 0.158 0.000 1.024 464 F HN 0.018 nan 8.300 nan 0.000 0.495 465 A N -0.029 122.885 122.820 0.156 0.000 1.972 465 A HA -0.075 4.253 4.320 0.013 0.000 0.219 465 A C 2.562 180.132 177.584 -0.024 0.000 1.169 465 A CA 1.757 53.840 52.037 0.076 0.000 0.635 465 A CB -1.523 17.538 19.000 0.101 0.000 0.810 465 A HN 0.407 nan 8.150 nan 0.000 0.446 466 G N -0.228 108.505 108.800 -0.111 0.000 2.404 466 G HA2 -0.093 3.875 3.960 0.013 0.000 0.215 466 G HA3 -0.093 3.875 3.960 0.013 0.000 0.215 466 G C 1.628 176.372 174.900 -0.260 0.000 1.174 466 G CA 1.686 46.675 45.100 -0.184 0.000 0.780 466 G HN 1.026 nan 8.290 nan 0.000 0.537 467 V N -0.869 118.777 119.914 -0.448 0.000 2.626 467 V HA 0.122 4.250 4.120 0.013 0.000 0.252 467 V C 2.308 178.293 176.094 -0.182 0.000 1.067 467 V CA 1.371 63.423 62.300 -0.414 0.000 1.081 467 V CB -0.340 31.068 31.823 -0.691 0.000 0.686 467 V HN 0.277 nan 8.190 nan 0.000 0.468 468 L N 0.121 121.286 121.223 -0.096 0.000 2.607 468 L HA 0.322 4.670 4.340 0.013 0.000 0.228 468 L C 0.941 177.800 176.870 -0.019 0.000 1.123 468 L CA 0.216 55.047 54.840 -0.016 0.000 0.890 468 L CB -0.621 41.463 42.059 0.043 0.000 1.103 468 L HN 0.411 nan 8.230 nan 0.000 0.468 469 E N -0.074 120.099 120.200 -0.045 0.000 2.269 469 E HA -0.233 4.124 4.350 0.013 0.000 0.223 469 E C 0.244 176.839 176.600 -0.007 0.000 1.244 469 E CA 0.315 56.697 56.400 -0.030 0.000 0.713 469 E CB -1.124 28.559 29.700 -0.027 0.000 1.178 469 E HN 0.466 nan 8.360 nan 0.000 0.370 470 A N 1.838 124.660 122.820 0.003 0.000 2.294 470 A HA 0.365 4.692 4.320 0.013 0.000 0.316 470 A C 0.169 177.767 177.584 0.024 0.000 1.359 470 A CA -0.310 51.739 52.037 0.020 0.000 0.956 470 A CB 0.489 19.511 19.000 0.037 0.000 1.155 470 A HN 0.240 nan 8.150 nan 0.000 0.544 471 E N 1.672 121.884 120.200 0.021 0.000 2.227 471 E HA 0.310 4.667 4.350 0.013 0.000 0.268 471 E C -0.319 176.298 176.600 0.028 0.000 0.990 471 E CA -0.989 55.425 56.400 0.023 0.000 0.856 471 E CB 0.710 30.419 29.700 0.016 0.000 1.159 471 E HN 0.665 nan 8.360 nan 0.000 0.401 472 N N 0.027 118.746 118.700 0.031 0.000 2.740 472 N HA -0.152 4.595 4.740 0.013 0.000 0.248 472 N C -1.168 174.366 175.510 0.039 0.000 1.062 472 N CA 0.416 53.486 53.050 0.033 0.000 0.704 472 N CB -1.137 37.365 38.487 0.026 0.000 0.968 472 N HN 0.118 nan 8.380 nan 0.000 0.547 473 V N 1.826 121.770 119.914 0.050 0.000 2.406 473 V HA 0.350 4.478 4.120 0.013 0.000 0.272 473 V C -0.961 175.176 176.094 0.070 0.000 1.043 473 V CA -0.914 61.422 62.300 0.060 0.000 0.915 473 V CB 1.350 33.216 31.823 0.071 0.000 0.988 473 V HN 0.129 nan 8.190 nan 0.000 0.466 474 P HA 0.438 nan 4.420 nan 0.000 0.278 474 P C 0.592 177.953 177.300 0.102 0.000 1.266 474 P CA 0.187 63.330 63.100 0.073 0.000 0.807 474 P CB 1.192 32.927 31.700 0.057 0.000 1.094 475 G N -0.182 108.683 108.800 0.108 0.000 2.147 475 G HA2 -0.219 3.749 3.960 0.013 0.000 0.244 475 G HA3 -0.219 3.749 3.960 0.013 0.000 0.244 475 G C 0.513 175.567 174.900 0.256 0.000 1.005 475 G CA 0.304 45.498 45.100 0.156 0.000 0.713 475 G HN 0.475 nan 8.290 nan 0.000 0.515 476 L N -0.641 120.707 121.223 0.208 0.000 2.529 476 L HA 0.271 4.619 4.340 0.013 0.000 0.223 476 L C 0.267 177.212 176.870 0.126 0.000 1.113 476 L CA 0.201 55.211 54.840 0.283 0.000 0.861 476 L CB 0.018 42.207 42.059 0.218 0.000 1.012 476 L HN 0.103 nan 8.230 nan 0.000 0.461 477 D N 0.483 120.893 120.400 0.016 0.000 2.248 477 D HA 0.337 4.984 4.640 0.013 0.000 0.246 477 D C -0.064 176.140 176.300 -0.161 0.000 1.027 477 D CA -0.080 53.878 54.000 -0.070 0.000 0.853 477 D CB 3.062 43.856 40.800 -0.009 0.000 1.243 477 D HN -0.200 nan 8.370 nan 0.000 0.462 478 V N -0.534 119.259 119.914 -0.203 0.000 2.361 478 V HA 0.379 4.507 4.120 0.013 0.000 0.252 478 V C -2.554 173.496 176.094 -0.074 0.000 0.986 478 V CA -1.483 60.708 62.300 -0.181 0.000 1.033 478 V CB 0.455 32.097 31.823 -0.303 0.000 1.282 478 V HN 0.293 nan 8.190 nan 0.000 0.514 479 P HA 0.426 nan 4.420 nan 0.000 0.274 479 P C 0.827 178.107 177.300 -0.034 0.000 1.237 479 P CA 1.120 64.207 63.100 -0.022 0.000 0.793 479 P CB 1.294 32.985 31.700 -0.015 0.000 0.977 480 G N 0.751 109.534 108.800 -0.029 0.000 2.212 480 G HA2 -0.175 3.793 3.960 0.013 0.000 0.255 480 G HA3 -0.175 3.793 3.960 0.013 0.000 0.255 480 G C -0.231 174.608 174.900 -0.103 0.000 1.062 480 G CA -0.255 44.815 45.100 -0.051 0.000 0.815 480 G HN 0.492 nan 8.290 nan 0.000 0.497 481 I N 0.397 120.883 120.570 -0.141 0.000 2.389 481 I HA 0.325 4.503 4.170 0.013 0.000 0.288 481 I C -0.718 175.156 176.117 -0.404 0.000 0.999 481 I CA -0.853 60.234 61.300 -0.354 0.000 1.129 481 I CB 1.854 39.515 38.000 -0.566 0.000 1.288 481 I HN 0.043 nan 8.210 nan 0.000 0.444 482 D N 6.164 126.351 120.400 -0.355 0.000 2.467 482 D HA 0.241 4.888 4.640 0.013 0.000 0.220 482 D C 0.423 176.591 176.300 -0.220 0.000 1.103 482 D CA -0.338 53.550 54.000 -0.185 0.000 0.886 482 D CB 0.586 41.329 40.800 -0.095 0.000 1.025 482 D HN 0.298 nan 8.370 nan 0.000 0.514 483 F N 1.935 121.897 119.950 0.020 0.000 2.502 483 F HA 0.091 4.625 4.527 0.012 0.000 0.298 483 F C 2.284 178.102 175.800 0.029 0.000 1.111 483 F CA 0.349 58.366 58.000 0.029 0.000 1.445 483 F CB 0.090 39.114 39.000 0.039 0.000 1.081 483 F HN 0.235 nan 8.300 nan 0.000 0.558 484 R N 0.152 120.750 120.500 0.165 0.000 2.073 484 R HA -0.034 4.313 4.340 0.013 0.000 0.229 484 R C 2.514 178.846 176.300 0.053 0.000 1.120 484 R CA 1.077 57.239 56.100 0.103 0.000 0.967 484 R CB -0.702 29.646 30.300 0.080 0.000 0.862 484 R HN 0.237 nan 8.270 nan 0.000 0.436 485 A N 1.271 124.100 122.820 0.014 0.000 1.908 485 A HA -0.144 4.183 4.320 0.013 0.000 0.218 485 A C 2.144 179.706 177.584 -0.037 0.000 1.181 485 A CA 1.256 53.279 52.037 -0.024 0.000 0.627 485 A CB -0.558 18.410 19.000 -0.055 0.000 0.818 485 A HN 0.174 nan 8.150 nan 0.000 0.445 486 L N -0.965 120.243 121.223 -0.025 0.000 2.056 486 L HA -0.166 4.182 4.340 0.013 0.000 0.207 486 L C 3.133 180.050 176.870 0.077 0.000 1.078 486 L CA 1.003 55.844 54.840 0.001 0.000 0.749 486 L CB -0.642 41.437 42.059 0.034 0.000 0.901 486 L HN 0.434 nan 8.230 nan 0.000 0.433 487 A N 0.322 123.204 122.820 0.105 0.000 1.883 487 A HA -0.284 4.044 4.320 0.013 0.000 0.217 487 A C 2.409 180.046 177.584 0.089 0.000 1.186 487 A CA 2.175 54.280 52.037 0.113 0.000 0.624 487 A CB -0.554 18.509 19.000 0.105 0.000 0.822 487 A HN 0.343 nan 8.150 nan 0.000 0.444 488 K N -0.648 119.780 120.400 0.047 0.000 2.063 488 K HA -0.145 4.183 4.320 0.013 0.000 0.208 488 K C 2.049 178.644 176.600 -0.009 0.000 1.048 488 K CA 1.579 57.879 56.287 0.022 0.000 0.928 488 K CB -0.643 31.860 32.500 0.005 0.000 0.713 488 K HN 0.391 nan 8.250 nan 0.000 0.442 489 G N -0.122 108.633 108.800 -0.075 0.000 2.469 489 G HA2 -0.249 3.718 3.960 0.013 0.000 0.219 489 G HA3 -0.249 3.718 3.960 0.013 0.000 0.219 489 G C 0.816 175.568 174.900 -0.247 0.000 1.150 489 G CA 0.987 45.956 45.100 -0.218 0.000 0.763 489 G HN 0.375 nan 8.290 nan 0.000 0.561 490 Y N 0.321 120.676 120.300 0.091 0.000 2.468 490 Y HA 0.393 4.951 4.550 0.012 0.000 0.268 490 Y C 1.894 177.856 175.900 0.104 0.000 1.177 490 Y CA -0.642 57.558 58.100 0.166 0.000 1.265 490 Y CB 0.206 38.765 38.460 0.165 0.000 1.103 490 Y HN 0.300 nan 8.280 nan 0.000 0.522 491 G N 0.443 109.338 108.800 0.157 0.000 2.160 491 G HA2 -0.233 3.734 3.960 0.013 0.000 0.244 491 G HA3 -0.233 3.734 3.960 0.013 0.000 0.244 491 G C -0.387 174.552 174.900 0.066 0.000 1.022 491 G CA 0.228 45.378 45.100 0.082 0.000 0.741 491 G HN 0.122 nan 8.290 nan 0.000 0.508 492 V N 0.780 120.748 119.914 0.091 0.000 2.427 492 V HA 0.409 4.537 4.120 0.013 0.000 0.286 492 V C 0.918 177.062 176.094 0.083 0.000 1.034 492 V CA -0.649 61.704 62.300 0.088 0.000 0.893 492 V CB 1.859 33.739 31.823 0.096 0.000 0.982 492 V HN 0.515 nan 8.190 nan 0.000 0.452 493 Q N 2.748 122.595 119.800 0.078 0.000 2.286 493 Q HA 0.368 4.716 4.340 0.013 0.000 0.290 493 Q C -0.203 175.847 176.000 0.084 0.000 1.049 493 Q CA -0.022 55.822 55.803 0.068 0.000 0.923 493 Q CB 0.826 29.598 28.738 0.058 0.000 1.183 493 Q HN 0.924 nan 8.270 nan 0.000 0.383 494 A N 5.685 128.548 122.820 0.072 0.000 2.319 494 A HA 0.637 4.965 4.320 0.013 0.000 0.310 494 A C -1.124 176.500 177.584 0.067 0.000 1.152 494 A CA -0.676 51.409 52.037 0.081 0.000 0.783 494 A CB 0.766 19.814 19.000 0.079 0.000 1.184 494 A HN 0.764 nan 8.150 nan 0.000 0.474 495 L N 1.483 122.749 121.223 0.071 0.000 2.286 495 L HA 0.760 5.107 4.340 0.013 0.000 0.265 495 L C -0.076 176.830 176.870 0.059 0.000 1.012 495 L CA -1.073 53.801 54.840 0.057 0.000 0.818 495 L CB 2.310 44.398 42.059 0.050 0.000 1.337 495 L HN 0.861 nan 8.230 nan 0.000 0.438 496 K N 0.199 120.627 120.400 0.047 0.000 2.482 496 K HA 0.907 5.235 4.320 0.013 0.000 0.257 496 K C -1.397 175.221 176.600 0.030 0.000 0.969 496 K CA -0.719 55.594 56.287 0.043 0.000 0.842 496 K CB 2.238 34.767 32.500 0.048 0.000 1.359 496 K HN 0.535 nan 8.250 nan 0.000 0.441 497 A N 1.662 124.495 122.820 0.023 0.000 2.651 497 A HA 0.348 4.675 4.320 0.013 0.000 0.290 497 A C -0.842 176.746 177.584 0.007 0.000 1.185 497 A CA -0.698 51.346 52.037 0.012 0.000 0.746 497 A CB 0.396 19.399 19.000 0.005 0.000 1.213 497 A HN 0.741 nan 8.150 nan 0.000 0.429 498 D N 1.016 121.422 120.400 0.010 0.000 2.347 498 D HA 0.034 4.682 4.640 0.013 0.000 0.213 498 D C 0.429 176.729 176.300 -0.001 0.000 0.985 498 D CA 1.432 55.435 54.000 0.005 0.000 0.879 498 D CB 0.305 41.111 40.800 0.010 0.000 0.919 498 D HN 0.805 nan 8.370 nan 0.000 0.526 499 N N -1.541 117.160 118.700 0.001 0.000 3.039 499 N HA 0.063 4.810 4.740 0.013 0.000 0.257 499 N C 0.190 175.703 175.510 0.004 0.000 1.497 499 N CA -0.734 52.317 53.050 0.002 0.000 0.861 499 N CB 0.860 39.351 38.487 0.007 0.000 1.479 499 N HN -0.216 nan 8.380 nan 0.000 0.547 500 L N 0.042 121.270 121.223 0.009 0.000 2.083 500 L HA 0.054 4.402 4.340 0.013 0.000 0.209 500 L C 2.031 178.907 176.870 0.011 0.000 1.083 500 L CA 1.965 56.811 54.840 0.011 0.000 0.752 500 L CB -0.872 41.198 42.059 0.018 0.000 0.899 500 L HN 0.891 nan 8.230 nan 0.000 0.433 501 E N -0.933 119.275 120.200 0.012 0.000 2.038 501 E HA -0.292 4.065 4.350 0.013 0.000 0.195 501 E C 2.116 178.723 176.600 0.011 0.000 1.000 501 E CA 1.709 58.116 56.400 0.012 0.000 0.803 501 E CB -0.162 29.545 29.700 0.012 0.000 0.750 501 E HN 0.684 nan 8.360 nan 0.000 0.448 502 Q N -0.011 119.795 119.800 0.011 0.000 2.167 502 Q HA -0.158 4.189 4.340 0.013 0.000 0.202 502 Q C 2.304 178.310 176.000 0.011 0.000 0.970 502 Q CA 0.985 56.795 55.803 0.012 0.000 0.855 502 Q CB -0.088 28.658 28.738 0.013 0.000 0.911 502 Q HN 0.277 nan 8.270 nan 0.000 0.438 503 L N 1.301 122.528 121.223 0.008 0.000 1.994 503 L HA -0.186 4.162 4.340 0.013 0.000 0.208 503 L C 1.901 178.776 176.870 0.010 0.000 1.071 503 L CA 1.874 56.717 54.840 0.005 0.000 0.745 503 L CB -0.272 41.785 42.059 -0.004 0.000 0.892 503 L HN -0.025 nan 8.230 nan 0.000 0.431 504 K N -0.604 119.803 120.400 0.011 0.000 2.063 504 K HA -0.117 4.211 4.320 0.013 0.000 0.208 504 K C 1.972 178.580 176.600 0.014 0.000 1.048 504 K CA 1.299 57.594 56.287 0.014 0.000 0.928 504 K CB -0.695 31.814 32.500 0.014 0.000 0.713 504 K HN 0.584 nan 8.250 nan 0.000 0.442 505 G N 0.640 109.448 108.800 0.014 0.000 2.402 505 G HA2 -0.211 3.756 3.960 0.013 0.000 0.216 505 G HA3 -0.211 3.756 3.960 0.013 0.000 0.216 505 G C 1.593 176.503 174.900 0.016 0.000 1.162 505 G CA 0.729 45.838 45.100 0.014 0.000 0.777 505 G HN 0.177 nan 8.290 nan 0.000 0.539 506 S N 0.441 116.152 115.700 0.018 0.000 2.356 506 S HA -0.007 4.471 4.470 0.013 0.000 0.223 506 S C 2.309 176.922 174.600 0.022 0.000 1.032 506 S CA 0.789 59.002 58.200 0.022 0.000 1.005 506 S CB -0.263 62.951 63.200 0.024 0.000 0.867 506 S HN 0.286 nan 8.310 nan 0.000 0.449 507 L N 1.215 122.449 121.223 0.019 0.000 2.083 507 L HA -0.166 4.181 4.340 0.013 0.000 0.209 507 L C 2.816 179.695 176.870 0.016 0.000 1.083 507 L CA 1.281 56.133 54.840 0.019 0.000 0.752 507 L CB -0.459 41.614 42.059 0.023 0.000 0.899 507 L HN 0.382 nan 8.230 nan 0.000 0.433 508 Q N 0.158 119.967 119.800 0.015 0.000 2.061 508 Q HA -0.301 4.046 4.340 0.013 0.000 0.204 508 Q C 2.133 178.140 176.000 0.010 0.000 0.984 508 Q CA 2.153 57.963 55.803 0.012 0.000 0.846 508 Q CB -0.008 28.737 28.738 0.012 0.000 0.902 508 Q HN 0.459 nan 8.270 nan 0.000 0.421 509 E N -0.565 119.643 120.200 0.013 0.000 2.051 509 E HA -0.221 4.136 4.350 0.013 0.000 0.192 509 E C 1.821 178.430 176.600 0.014 0.000 0.991 509 E CA 1.110 57.518 56.400 0.014 0.000 0.799 509 E CB -0.198 29.513 29.700 0.019 0.000 0.748 509 E HN 0.463 nan 8.360 nan 0.000 0.449 510 A N 0.820 123.650 122.820 0.017 0.000 1.908 510 A HA -0.182 4.146 4.320 0.013 0.000 0.218 510 A C 2.195 179.779 177.584 -0.001 0.000 1.181 510 A CA 1.394 53.439 52.037 0.014 0.000 0.627 510 A CB -0.742 18.268 19.000 0.016 0.000 0.818 510 A HN 0.326 nan 8.150 nan 0.000 0.445 511 L N -0.490 120.731 121.223 -0.003 0.000 2.141 511 L HA -0.120 4.228 4.340 0.013 0.000 0.209 511 L C 2.489 179.353 176.870 -0.011 0.000 1.094 511 L CA 1.406 56.239 54.840 -0.013 0.000 0.763 511 L CB -0.180 41.873 42.059 -0.009 0.000 0.908 511 L HN 0.295 nan 8.230 nan 0.000 0.437 512 S N -0.594 115.104 115.700 -0.003 0.000 2.528 512 S HA 0.219 4.696 4.470 0.013 0.000 0.219 512 S C 1.006 175.605 174.600 -0.000 0.000 0.985 512 S CA 0.132 58.331 58.200 -0.002 0.000 0.914 512 S CB -0.058 63.143 63.200 0.002 0.000 0.776 512 S HN 0.354 nan 8.310 nan 0.000 0.526 513 A N 1.836 124.658 122.820 0.003 0.000 2.445 513 A HA 0.295 4.622 4.320 0.013 0.000 0.242 513 A C 1.109 178.695 177.584 0.003 0.000 1.075 513 A CA -0.108 51.934 52.037 0.007 0.000 0.777 513 A CB 0.357 19.366 19.000 0.016 0.000 1.013 513 A HN 0.062 nan 8.150 nan 0.000 0.493 514 K N 1.353 121.756 120.400 0.005 0.000 2.323 514 K HA 0.117 4.444 4.320 0.013 0.000 0.197 514 K C 1.054 177.658 176.600 0.006 0.000 1.043 514 K CA 1.082 57.371 56.287 0.003 0.000 0.997 514 K CB -0.061 32.440 32.500 0.002 0.000 0.807 514 K HN 0.753 nan 8.250 nan 0.000 0.497 515 G N 2.003 110.811 108.800 0.014 0.000 3.016 515 G HA2 0.420 4.388 3.960 0.013 0.000 0.270 515 G HA3 0.420 4.388 3.960 0.013 0.000 0.270 515 G C -2.801 172.125 174.900 0.043 0.000 1.352 515 G CA -1.380 43.734 45.100 0.024 0.000 1.060 515 G HN -0.176 nan 8.290 nan 0.000 0.538 516 P HA 0.326 nan 4.420 nan 0.000 0.269 516 P C -0.817 176.574 177.300 0.152 0.000 1.215 516 P CA -0.096 63.090 63.100 0.144 0.000 0.780 516 P CB 1.482 33.326 31.700 0.240 0.000 0.898 517 V N 3.119 123.149 119.914 0.194 0.000 2.733 517 V HA 0.347 4.475 4.120 0.013 0.000 0.306 517 V C -0.063 176.197 176.094 0.277 0.000 1.084 517 V CA -0.728 61.675 62.300 0.172 0.000 0.905 517 V CB 1.988 33.865 31.823 0.090 0.000 1.010 517 V HN 0.461 nan 8.190 nan 0.000 0.424 518 L N 5.645 127.014 121.223 0.242 0.000 2.317 518 L HA 0.724 5.071 4.340 0.013 0.000 0.281 518 L C -0.986 175.975 176.870 0.152 0.000 1.024 518 L CA -0.319 54.669 54.840 0.247 0.000 0.810 518 L CB 1.259 43.428 42.059 0.184 0.000 1.240 518 L HN 0.616 nan 8.230 nan 0.000 0.427 519 I N 4.503 125.150 120.570 0.129 0.000 2.410 519 I HA 0.335 4.513 4.170 0.013 0.000 0.286 519 I C -0.453 175.695 176.117 0.052 0.000 1.009 519 I CA -0.487 60.860 61.300 0.078 0.000 1.111 519 I CB 1.798 39.832 38.000 0.055 0.000 1.262 519 I HN 0.618 nan 8.210 nan 0.000 0.443 520 E N 6.473 126.705 120.200 0.054 0.000 2.130 520 E HA 0.402 4.759 4.350 0.013 0.000 0.284 520 E C -1.338 175.270 176.600 0.013 0.000 1.018 520 E CA -0.537 55.879 56.400 0.026 0.000 0.817 520 E CB 1.335 31.103 29.700 0.112 0.000 1.078 520 E HN 0.385 nan 8.360 nan 0.000 0.396 521 V N 3.847 123.747 119.914 -0.024 0.000 2.394 521 V HA 0.178 4.306 4.120 0.013 0.000 0.282 521 V C -0.038 176.041 176.094 -0.024 0.000 1.031 521 V CA -0.803 61.482 62.300 -0.025 0.000 0.881 521 V CB 1.622 33.416 31.823 -0.050 0.000 0.982 521 V HN 0.634 nan 8.190 nan 0.000 0.451 522 S N 3.833 119.526 115.700 -0.011 0.000 2.430 522 S HA 0.395 4.872 4.470 0.013 0.000 0.282 522 S C 0.498 175.078 174.600 -0.034 0.000 1.186 522 S CA -0.497 57.697 58.200 -0.010 0.000 1.060 522 S CB 0.390 63.590 63.200 -0.001 0.000 0.966 522 S HN 0.974 nan 8.310 nan 0.000 0.501 523 T N -0.941 113.590 114.554 -0.037 0.000 2.940 523 T HA 0.602 4.959 4.350 0.013 0.000 0.288 523 T C 0.233 174.892 174.700 -0.068 0.000 1.033 523 T CA -1.084 60.980 62.100 -0.060 0.000 1.033 523 T CB 0.950 69.789 68.868 -0.048 0.000 1.079 523 T HN 0.451 nan 8.240 nan 0.000 0.496 524 V N 1.234 121.071 119.914 -0.129 0.000 2.529 524 V HA 0.436 4.564 4.120 0.013 0.000 0.292 524 V C 0.577 176.647 176.094 -0.040 0.000 1.028 524 V CA -0.659 61.556 62.300 -0.141 0.000 1.074 524 V CB -0.648 30.973 31.823 -0.337 0.000 0.958 524 V HN 1.129 nan 8.190 nan 0.000 0.481 525 S N 5.102 120.796 115.700 -0.010 0.000 2.565 525 S HA 0.434 4.911 4.470 0.013 0.000 0.276 525 S C -0.904 173.727 174.600 0.051 0.000 1.326 525 S CA -0.675 57.544 58.200 0.032 0.000 1.045 525 S CB 0.969 64.190 63.200 0.034 0.000 0.918 525 S HN 0.846 nan 8.310 nan 0.000 0.505 526 P HA 0.099 nan 4.420 nan 0.000 0.237 526 P C 0.168 177.521 177.300 0.089 0.000 1.178 526 P CA 0.146 63.305 63.100 0.099 0.000 0.766 526 P CB -0.107 31.672 31.700 0.132 0.000 0.876 527 V N 0.000 119.959 119.914 0.075 0.000 2.409 527 V HA 0.000 4.128 4.120 0.013 0.000 0.244 527 V CA 0.000 62.339 62.300 0.064 0.000 1.235 527 V CB 0.000 31.860 31.823 0.061 0.000 1.184 527 V HN 0.000 nan 8.190 nan 0.000 0.556