REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1mcz_1_G DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.672 177.584 0.147 0.000 1.274 2 A CA 0.000 52.114 52.037 0.129 0.000 0.836 2 A CB 0.000 19.096 19.000 0.159 0.000 0.831 3 S N 0.332 116.140 115.700 0.180 0.000 2.672 3 S HA 0.547 5.017 4.470 0.000 0.000 0.276 3 S C 1.095 175.862 174.600 0.278 0.000 1.207 3 S CA -0.015 58.315 58.200 0.216 0.000 1.002 3 S CB 1.218 64.561 63.200 0.238 0.000 0.998 3 S HN 1.417 nan 8.310 nan 0.000 0.542 4 V N 1.682 121.770 119.914 0.290 0.000 2.392 4 V HA -0.210 3.911 4.120 0.000 0.000 0.249 4 V C 2.555 178.964 176.094 0.526 0.000 1.059 4 V CA 2.309 64.800 62.300 0.319 0.000 1.051 4 V CB -1.430 30.513 31.823 0.201 0.000 0.658 4 V HN 1.044 nan 8.190 nan 0.000 0.455 5 H N 0.832 120.220 119.070 0.530 0.000 2.253 5 H HA -0.164 4.392 4.556 0.000 0.000 0.296 5 H C 2.330 177.894 175.328 0.394 0.000 1.074 5 H CA 2.340 58.711 56.048 0.539 0.000 1.263 5 H CB -0.551 29.431 29.762 0.366 0.000 1.363 5 H HN 0.403 nan 8.280 nan 0.000 0.489 6 G N -0.443 108.626 108.800 0.449 0.000 2.446 6 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 6 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 6 G C 1.821 176.861 174.900 0.233 0.000 1.168 6 G CA 1.562 46.838 45.100 0.293 0.000 0.771 6 G HN 0.477 nan 8.290 nan 0.000 0.551 7 T N 0.907 115.632 114.554 0.284 0.000 2.759 7 T HA -0.119 4.231 4.350 0.000 0.000 0.269 7 T C 2.613 177.514 174.700 0.335 0.000 1.042 7 T CA 1.792 64.103 62.100 0.352 0.000 1.140 7 T CB -0.483 68.592 68.868 0.346 0.000 0.864 7 T HN 0.308 nan 8.240 nan 0.000 0.455 8 T N 0.828 115.546 114.554 0.274 0.000 2.737 8 T HA -0.061 4.289 4.350 0.000 0.000 0.265 8 T C 1.639 176.334 174.700 -0.007 0.000 1.038 8 T CA 1.108 63.323 62.100 0.192 0.000 1.144 8 T CB -0.521 68.527 68.868 0.300 0.000 0.866 8 T HN 0.445 nan 8.240 nan 0.000 0.434 9 Y N 1.189 121.425 120.300 -0.107 0.000 2.274 9 Y HA -0.087 4.463 4.550 0.000 0.000 0.290 9 Y C 2.638 178.469 175.900 -0.115 0.000 1.145 9 Y CA 1.119 59.042 58.100 -0.295 0.000 1.203 9 Y CB -0.118 37.991 38.460 -0.586 0.000 0.984 9 Y HN 0.178 nan 8.280 nan 0.000 0.533 10 E N 0.525 120.740 120.200 0.025 0.000 2.047 10 E HA -0.188 4.162 4.350 0.000 0.000 0.191 10 E C 2.019 178.484 176.600 -0.225 0.000 0.987 10 E CA 0.994 57.279 56.400 -0.191 0.000 0.799 10 E CB -0.543 28.884 29.700 -0.456 0.000 0.752 10 E HN 0.342 nan 8.360 nan 0.000 0.449 11 L N 0.304 121.540 121.223 0.022 0.000 2.012 11 L HA -0.132 4.208 4.340 0.000 0.000 0.210 11 L C 2.168 179.114 176.870 0.126 0.000 1.073 11 L CA 1.750 56.735 54.840 0.241 0.000 0.748 11 L CB -0.675 41.603 42.059 0.365 0.000 0.891 11 L HN 0.283 nan 8.230 nan 0.000 0.431 12 L N -0.330 120.949 121.223 0.094 0.000 1.989 12 L HA -0.247 4.093 4.340 0.000 0.000 0.211 12 L C 2.904 179.848 176.870 0.123 0.000 1.071 12 L CA 2.102 57.002 54.840 0.101 0.000 0.749 12 L CB -0.728 41.367 42.059 0.060 0.000 0.890 12 L HN 0.423 nan 8.230 nan 0.000 0.431 13 R N -0.321 120.289 120.500 0.184 0.000 2.075 13 R HA -0.115 4.226 4.340 0.000 0.000 0.232 13 R C 2.231 178.520 176.300 -0.019 0.000 1.126 13 R CA 0.856 56.970 56.100 0.023 0.000 0.963 13 R CB -0.495 29.840 30.300 0.059 0.000 0.858 13 R HN 0.185 nan 8.270 nan 0.000 0.435 14 R N 0.636 121.128 120.500 -0.014 0.000 2.193 14 R HA -0.009 4.331 4.340 0.000 0.000 0.229 14 R C 1.402 177.733 176.300 0.052 0.000 1.110 14 R CA 0.868 56.970 56.100 0.003 0.000 0.988 14 R CB -0.102 30.194 30.300 -0.007 0.000 0.871 14 R HN 0.430 nan 8.270 nan 0.000 0.458 15 Q N -0.604 119.228 119.800 0.053 0.000 2.246 15 Q HA 0.154 4.494 4.340 0.000 0.000 0.202 15 Q C 0.699 176.711 176.000 0.021 0.000 0.883 15 Q CA 0.393 56.223 55.803 0.046 0.000 0.952 15 Q CB 0.961 29.717 28.738 0.030 0.000 1.078 15 Q HN 0.523 nan 8.270 nan 0.000 0.493 16 G N 1.120 109.921 108.800 0.001 0.000 2.176 16 G HA2 -0.263 3.698 3.960 0.000 0.000 0.253 16 G HA3 -0.263 3.698 3.960 0.000 0.000 0.253 16 G C 0.245 175.122 174.900 -0.038 0.000 0.979 16 G CA -0.073 45.016 45.100 -0.019 0.000 0.641 16 G HN 0.355 nan 8.290 nan 0.000 0.530 17 I N 1.495 122.041 120.570 -0.040 0.000 2.395 17 I HA 0.443 4.613 4.170 0.000 0.000 0.289 17 I C 0.695 176.608 176.117 -0.340 0.000 1.023 17 I CA 0.158 61.432 61.300 -0.043 0.000 1.350 17 I CB 1.340 39.382 38.000 0.070 0.000 1.409 17 I HN 0.251 nan 8.210 nan 0.000 0.507 18 D N 1.508 121.686 120.400 -0.371 0.000 2.497 18 D HA 0.074 4.714 4.640 0.000 0.000 0.256 18 D C -0.115 175.972 176.300 -0.355 0.000 1.273 18 D CA -0.029 53.488 54.000 -0.805 0.000 0.812 18 D CB 0.481 40.955 40.800 -0.544 0.000 1.190 18 D HN 0.283 nan 8.370 nan 0.000 0.524 19 T N 0.234 114.738 114.554 -0.084 0.000 2.861 19 T HA 0.590 4.941 4.350 0.000 0.000 0.287 19 T C -0.834 173.876 174.700 0.017 0.000 1.003 19 T CA -0.604 61.426 62.100 -0.116 0.000 0.977 19 T CB 2.542 71.168 68.868 -0.403 0.000 0.996 19 T HN -0.117 nan 8.240 nan 0.000 0.448 20 V N 3.909 123.827 119.914 0.006 0.000 2.378 20 V HA 0.502 4.622 4.120 0.000 0.000 0.288 20 V C -1.016 174.859 176.094 -0.366 0.000 1.016 20 V CA -0.851 61.563 62.300 0.190 0.000 0.840 20 V CB 0.679 32.844 31.823 0.570 0.000 0.994 20 V HN 0.795 nan 8.190 nan 0.000 0.431 21 F N 3.263 123.166 119.950 -0.079 0.000 2.410 21 F HA 0.843 5.370 4.527 0.000 0.000 0.349 21 F C 0.896 176.565 175.800 -0.217 0.000 1.117 21 F CA -0.056 57.795 58.000 -0.249 0.000 1.104 21 F CB 1.842 40.753 39.000 -0.147 0.000 1.122 21 F HN 0.656 nan 8.300 nan 0.000 0.483 22 G N 2.197 110.877 108.800 -0.200 0.000 2.488 22 G HA2 0.276 4.236 3.960 0.000 0.000 0.301 22 G HA3 0.276 4.236 3.960 0.000 0.000 0.301 22 G C -2.213 172.773 174.900 0.144 0.000 1.339 22 G CA -0.909 44.204 45.100 0.021 0.000 0.803 22 G HN 0.519 nan 8.290 nan 0.000 0.482 23 N N 1.127 119.960 118.700 0.222 0.000 2.558 23 N HA 0.372 5.112 4.740 0.000 0.000 0.285 23 N C -2.802 172.828 175.510 0.199 0.000 1.112 23 N CA -1.148 52.024 53.050 0.203 0.000 0.857 23 N CB 3.041 41.605 38.487 0.128 0.000 1.376 23 N HN 0.370 nan 8.380 nan 0.000 0.526 24 P HA 0.242 nan 4.420 nan 0.000 0.269 24 P C -0.166 177.104 177.300 -0.050 0.000 1.217 24 P CA 0.198 63.347 63.100 0.082 0.000 0.783 24 P CB 1.254 32.950 31.700 -0.008 0.000 0.898 25 G N -0.601 108.141 108.800 -0.097 0.000 2.660 25 G HA2 0.361 4.321 3.960 0.000 0.000 0.290 25 G HA3 0.361 4.321 3.960 0.000 0.000 0.290 25 G C 0.744 175.548 174.900 -0.159 0.000 1.432 25 G CA 0.054 44.878 45.100 -0.460 0.000 0.807 25 G HN 0.428 nan 8.290 nan 0.000 0.485 26 S N 0.190 115.789 115.700 -0.168 0.000 2.370 26 S HA -0.173 4.297 4.470 0.000 0.000 0.226 26 S C 1.744 176.309 174.600 -0.059 0.000 1.033 26 S CA 1.765 59.912 58.200 -0.087 0.000 1.011 26 S CB -0.319 62.825 63.200 -0.093 0.000 0.852 26 S HN 0.441 nan 8.310 nan 0.000 0.457 27 N N 1.966 120.769 118.700 0.171 0.000 2.443 27 N HA -0.026 4.714 4.740 0.000 0.000 0.184 27 N C 1.068 176.758 175.510 0.300 0.000 1.037 27 N CA 1.273 54.466 53.050 0.238 0.000 0.896 27 N CB -0.328 38.356 38.487 0.329 0.000 0.959 27 N HN 0.638 nan 8.380 nan 0.000 0.442 28 E N -0.555 119.799 120.200 0.257 0.000 2.489 28 E HA 0.217 4.567 4.350 0.000 0.000 0.204 28 E C 1.736 178.459 176.600 0.205 0.000 1.006 28 E CA -0.157 56.419 56.400 0.292 0.000 0.936 28 E CB 0.078 29.961 29.700 0.304 0.000 1.002 28 E HN 0.216 nan 8.360 nan 0.000 0.488 29 L N 1.010 122.284 121.223 0.085 0.000 2.042 29 L HA -0.129 4.211 4.340 0.000 0.000 0.210 29 L C -0.661 176.236 176.870 0.044 0.000 1.076 29 L CA 1.476 56.325 54.840 0.015 0.000 0.749 29 L CB -1.337 40.689 42.059 -0.054 0.000 0.893 29 L HN 0.134 nan 8.230 nan 0.000 0.432 30 P HA -0.201 nan 4.420 nan 0.000 0.222 30 P C 1.314 178.684 177.300 0.117 0.000 1.147 30 P CA 1.294 64.516 63.100 0.203 0.000 0.790 30 P CB 0.012 31.990 31.700 0.463 0.000 0.780 31 F N -0.364 119.425 119.950 -0.267 0.000 2.317 31 F HA 0.079 4.607 4.527 0.000 0.000 0.293 31 F C 1.692 177.459 175.800 -0.056 0.000 1.085 31 F CA 1.014 58.625 58.000 -0.648 0.000 1.390 31 F CB -0.618 37.760 39.000 -1.037 0.000 1.077 31 F HN -0.288 nan 8.300 nan 0.000 0.517 32 L N 1.045 122.171 121.223 -0.162 0.000 2.341 32 L HA -0.029 4.312 4.340 0.000 0.000 0.214 32 L C 1.056 177.871 176.870 -0.092 0.000 1.115 32 L CA 0.201 54.941 54.840 -0.167 0.000 0.820 32 L CB -0.810 41.165 42.059 -0.140 0.000 0.944 32 L HN 0.035 nan 8.230 nan 0.000 0.452 33 K N 0.331 120.685 120.400 -0.077 0.000 2.469 33 K HA -0.072 4.248 4.320 0.000 0.000 0.274 33 K C -0.332 176.197 176.600 -0.118 0.000 0.983 33 K CA -0.087 56.141 56.287 -0.099 0.000 0.974 33 K CB 0.336 32.770 32.500 -0.109 0.000 0.913 33 K HN 0.008 nan 8.250 nan 0.000 0.493 34 D N 0.687 121.015 120.400 -0.119 0.000 2.723 34 D HA -0.212 4.428 4.640 0.000 0.000 0.236 34 D C -0.727 175.473 176.300 -0.168 0.000 1.138 34 D CA 0.758 54.674 54.000 -0.140 0.000 0.676 34 D CB -1.322 39.348 40.800 -0.215 0.000 1.069 34 D HN 0.510 nan 8.370 nan 0.000 0.430 35 F N 1.154 120.915 119.950 -0.316 0.000 2.571 35 F HA 0.150 4.677 4.527 0.000 0.000 0.390 35 F C -1.376 174.193 175.800 -0.385 0.000 1.043 35 F CA -1.319 56.422 58.000 -0.431 0.000 1.164 35 F CB 0.301 39.136 39.000 -0.276 0.000 1.049 35 F HN -0.133 nan 8.300 nan 0.000 0.552 36 P HA -0.048 nan 4.420 nan 0.000 0.265 36 P C 0.285 177.405 177.300 -0.300 0.000 1.187 36 P CA 0.287 63.039 63.100 -0.580 0.000 0.766 36 P CB 0.476 31.751 31.700 -0.708 0.000 0.820 37 E N 1.515 121.638 120.200 -0.128 0.000 2.338 37 E HA -0.148 4.203 4.350 0.000 0.000 0.197 37 E C 0.741 177.334 176.600 -0.011 0.000 1.007 37 E CA 0.874 57.251 56.400 -0.039 0.000 0.849 37 E CB -0.078 29.604 29.700 -0.030 0.000 0.774 37 E HN 0.618 nan 8.360 nan 0.000 0.506 38 D N -0.277 120.125 120.400 0.003 0.000 2.328 38 D HA -0.028 4.612 4.640 0.000 0.000 0.221 38 D C 0.053 176.292 176.300 -0.101 0.000 1.072 38 D CA -0.007 53.975 54.000 -0.028 0.000 0.850 38 D CB -0.130 40.643 40.800 -0.045 0.000 0.922 38 D HN -0.039 nan 8.370 nan 0.000 0.516 39 F N 1.179 120.982 119.950 -0.246 0.000 2.556 39 F HA 0.482 5.010 4.527 0.000 0.000 0.327 39 F C 0.654 176.463 175.800 0.015 0.000 1.059 39 F CA -1.161 56.693 58.000 -0.244 0.000 0.953 39 F CB 1.717 40.325 39.000 -0.652 0.000 1.227 39 F HN -0.219 nan 8.300 nan 0.000 0.478 40 R N 1.080 121.777 120.500 0.328 0.000 2.686 40 R HA 0.575 4.915 4.340 0.000 0.000 0.283 40 R C -2.236 174.265 176.300 0.336 0.000 0.978 40 R CA -0.883 55.412 56.100 0.325 0.000 0.897 40 R CB 1.759 32.085 30.300 0.043 0.000 1.192 40 R HN 0.684 nan 8.270 nan 0.000 0.457 41 Y N 3.288 123.620 120.300 0.053 0.000 2.352 41 Y HA 0.459 5.010 4.550 0.000 0.000 0.339 41 Y C -0.844 174.896 175.900 -0.266 0.000 0.992 41 Y CA -1.208 56.789 58.100 -0.172 0.000 1.100 41 Y CB 1.450 39.639 38.460 -0.451 0.000 1.192 41 Y HN 0.525 nan 8.280 nan 0.000 0.458 42 I N 8.065 128.195 120.570 -0.732 0.000 2.354 42 I HA 0.197 4.367 4.170 0.000 0.000 0.286 42 I C -0.868 175.037 176.117 -0.355 0.000 1.007 42 I CA -0.788 60.105 61.300 -0.678 0.000 1.167 42 I CB 1.006 38.532 38.000 -0.790 0.000 1.320 42 I HN 0.505 nan 8.210 nan 0.000 0.458 43 L N 6.778 128.113 121.223 0.187 0.000 2.312 43 L HA 0.803 5.143 4.340 0.000 0.000 0.281 43 L C -0.084 177.032 176.870 0.410 0.000 1.070 43 L CA 0.118 55.187 54.840 0.380 0.000 0.805 43 L CB 1.351 43.778 42.059 0.613 0.000 1.174 43 L HN 0.696 nan 8.230 nan 0.000 0.434 44 A N 4.863 127.847 122.820 0.273 0.000 2.401 44 A HA 0.542 4.862 4.320 0.000 0.000 0.310 44 A C 0.408 178.063 177.584 0.119 0.000 1.075 44 A CA -0.636 51.538 52.037 0.228 0.000 0.746 44 A CB 1.079 20.165 19.000 0.144 0.000 1.277 44 A HN 0.870 nan 8.150 nan 0.000 0.425 45 L N 0.018 121.255 121.223 0.023 0.000 2.465 45 L HA 0.052 4.392 4.340 0.000 0.000 0.224 45 L C 0.954 177.797 176.870 -0.046 0.000 1.145 45 L CA 0.975 55.751 54.840 -0.107 0.000 0.834 45 L CB -0.039 41.869 42.059 -0.253 0.000 0.944 45 L HN 0.706 nan 8.230 nan 0.000 0.451 46 Q N -0.597 119.202 119.800 -0.000 0.000 2.353 46 Q HA 0.112 4.452 4.340 0.000 0.000 0.275 46 Q C -0.169 175.858 176.000 0.044 0.000 1.029 46 Q CA -0.302 55.513 55.803 0.020 0.000 0.848 46 Q CB 2.334 31.080 28.738 0.014 0.000 1.390 46 Q HN -0.029 nan 8.270 nan 0.000 0.401 47 E N 1.371 121.604 120.200 0.056 0.000 2.171 47 E HA -0.204 4.146 4.350 0.000 0.000 0.197 47 E C 1.521 178.154 176.600 0.054 0.000 0.997 47 E CA 1.958 58.396 56.400 0.064 0.000 0.810 47 E CB -0.015 29.728 29.700 0.071 0.000 0.738 47 E HN 0.658 nan 8.360 nan 0.000 0.467 48 A N -0.027 122.824 122.820 0.052 0.000 1.972 48 A HA -0.193 4.127 4.320 0.000 0.000 0.219 48 A C 2.285 179.897 177.584 0.047 0.000 1.169 48 A CA 1.384 53.454 52.037 0.055 0.000 0.635 48 A CB -0.715 18.327 19.000 0.070 0.000 0.810 48 A HN 0.423 nan 8.150 nan 0.000 0.446 49 C N -1.591 117.734 119.300 0.042 0.000 2.486 49 C HA 0.030 4.490 4.460 0.000 0.000 0.279 49 C C 2.652 177.659 174.990 0.028 0.000 1.302 49 C CA 0.591 59.627 59.018 0.030 0.000 1.720 49 C CB -1.163 26.595 27.740 0.030 0.000 2.030 49 C HN 0.437 nan 8.230 nan 0.000 0.490 50 V N 1.267 121.210 119.914 0.047 0.000 2.231 50 V HA -0.230 3.891 4.120 0.000 0.000 0.248 50 V C 2.477 178.570 176.094 -0.002 0.000 1.054 50 V CA 2.372 64.705 62.300 0.056 0.000 1.015 50 V CB -0.823 31.046 31.823 0.078 0.000 0.638 50 V HN 0.450 nan 8.190 nan 0.000 0.444 51 V N 0.746 120.662 119.914 0.004 0.000 2.407 51 V HA -0.155 3.965 4.120 0.000 0.000 0.248 51 V C 2.601 178.668 176.094 -0.045 0.000 1.055 51 V CA 2.019 64.307 62.300 -0.020 0.000 1.049 51 V CB -1.402 30.435 31.823 0.024 0.000 0.662 51 V HN 0.630 nan 8.190 nan 0.000 0.455 52 G N 0.053 108.840 108.800 -0.021 0.000 2.421 52 G HA2 -0.216 3.744 3.960 0.000 0.000 0.216 52 G HA3 -0.216 3.744 3.960 0.000 0.000 0.216 52 G C 1.568 176.371 174.900 -0.162 0.000 1.171 52 G CA 1.054 46.126 45.100 -0.046 0.000 0.775 52 G HN 0.482 nan 8.290 nan 0.000 0.543 53 I N 1.366 121.840 120.570 -0.161 0.000 2.179 53 I HA -0.178 3.993 4.170 0.000 0.000 0.242 53 I C 3.324 179.172 176.117 -0.448 0.000 1.088 53 I CA 1.037 62.212 61.300 -0.209 0.000 1.357 53 I CB -0.314 37.640 38.000 -0.075 0.000 1.051 53 I HN 0.245 nan 8.210 nan 0.000 0.409 54 A N 0.262 122.662 122.820 -0.701 0.000 1.940 54 A HA -0.293 4.027 4.320 0.000 0.000 0.219 54 A C 2.072 179.408 177.584 -0.414 0.000 1.176 54 A CA 2.181 53.570 52.037 -1.080 0.000 0.631 54 A CB -0.648 17.880 19.000 -0.787 0.000 0.814 54 A HN 0.445 nan 8.150 nan 0.000 0.446 55 D N -0.331 119.946 120.400 -0.206 0.000 2.084 55 D HA -0.097 4.543 4.640 0.000 0.000 0.194 55 D C 2.120 178.385 176.300 -0.059 0.000 0.990 55 D CA 1.751 55.728 54.000 -0.037 0.000 0.826 55 D CB -0.647 40.227 40.800 0.124 0.000 0.971 55 D HN 0.308 nan 8.370 nan 0.000 0.453 56 G N -0.856 107.851 108.800 -0.155 0.000 2.440 56 G HA2 -0.325 3.635 3.960 0.000 0.000 0.218 56 G HA3 -0.325 3.635 3.960 0.000 0.000 0.218 56 G C 1.703 176.487 174.900 -0.193 0.000 1.154 56 G CA 0.994 45.932 45.100 -0.270 0.000 0.767 56 G HN 0.370 nan 8.290 nan 0.000 0.552 57 Y N 1.998 122.145 120.300 -0.255 0.000 2.128 57 Y HA -0.068 4.483 4.550 0.000 0.000 0.284 57 Y C 2.951 178.799 175.900 -0.088 0.000 1.154 57 Y CA 1.575 59.586 58.100 -0.150 0.000 1.149 57 Y CB -0.396 37.970 38.460 -0.157 0.000 0.976 57 Y HN 0.255 nan 8.280 nan 0.000 0.505 58 A N -0.027 122.784 122.820 -0.015 0.000 1.873 58 A HA -0.227 4.093 4.320 0.000 0.000 0.215 58 A C 2.125 179.681 177.584 -0.047 0.000 1.186 58 A CA 1.858 53.883 52.037 -0.020 0.000 0.616 58 A CB -0.751 18.272 19.000 0.038 0.000 0.823 58 A HN 0.648 nan 8.150 nan 0.000 0.442 59 Q N -0.750 119.026 119.800 -0.040 0.000 2.084 59 Q HA -0.121 4.219 4.340 0.000 0.000 0.202 59 Q C 2.410 178.435 176.000 0.041 0.000 0.978 59 Q CA 1.436 57.256 55.803 0.029 0.000 0.844 59 Q CB -0.334 28.436 28.738 0.052 0.000 0.898 59 Q HN 0.691 nan 8.270 nan 0.000 0.426 60 A N 1.026 123.795 122.820 -0.085 0.000 1.898 60 A HA -0.128 4.193 4.320 0.000 0.000 0.214 60 A C 2.230 179.766 177.584 -0.079 0.000 1.183 60 A CA 1.487 53.510 52.037 -0.023 0.000 0.622 60 A CB -0.447 18.494 19.000 -0.099 0.000 0.824 60 A HN 0.423 nan 8.150 nan 0.000 0.444 61 S N -1.226 114.345 115.700 -0.215 0.000 2.481 61 S HA -0.045 4.425 4.470 0.000 0.000 0.231 61 S C 0.965 175.499 174.600 -0.111 0.000 0.996 61 S CA 0.676 58.733 58.200 -0.239 0.000 0.942 61 S CB -0.368 62.534 63.200 -0.497 0.000 0.768 61 S HN 0.525 nan 8.310 nan 0.000 0.520 62 R N 0.386 120.851 120.500 -0.058 0.000 3.641 62 R HA -0.119 4.221 4.340 0.000 0.000 0.286 62 R C -0.886 175.410 176.300 -0.007 0.000 1.153 62 R CA 1.002 57.097 56.100 -0.008 0.000 0.775 62 R CB -1.994 28.311 30.300 0.008 0.000 1.215 62 R HN 0.564 nan 8.270 nan 0.000 0.474 63 K N -0.050 120.341 120.400 -0.016 0.000 2.512 63 K HA 0.438 4.758 4.320 0.000 0.000 0.263 63 K C -2.552 174.080 176.600 0.053 0.000 0.966 63 K CA -2.021 54.275 56.287 0.015 0.000 0.851 63 K CB 2.597 35.103 32.500 0.011 0.000 1.395 63 K HN -0.219 nan 8.250 nan 0.000 0.440 64 P HA 0.046 nan 4.420 nan 0.000 0.269 64 P C -1.289 176.134 177.300 0.205 0.000 1.215 64 P CA -0.224 62.948 63.100 0.119 0.000 0.780 64 P CB 0.823 32.587 31.700 0.105 0.000 0.898 65 A N 2.750 125.705 122.820 0.225 0.000 2.342 65 A HA 0.573 4.893 4.320 0.000 0.000 0.323 65 A C -1.138 176.651 177.584 0.341 0.000 1.125 65 A CA -0.652 51.587 52.037 0.337 0.000 0.785 65 A CB 0.544 19.670 19.000 0.210 0.000 1.221 65 A HN 0.500 nan 8.150 nan 0.000 0.463 66 F N 2.698 122.836 119.950 0.313 0.000 2.408 66 F HA 0.713 5.240 4.527 0.000 0.000 0.344 66 F C -0.426 175.559 175.800 0.308 0.000 1.112 66 F CA -0.509 57.651 58.000 0.265 0.000 1.096 66 F CB 0.709 39.863 39.000 0.257 0.000 1.129 66 F HN 0.431 nan 8.300 nan 0.000 0.486 67 I N 4.729 125.077 120.570 -0.371 0.000 2.689 67 I HA 0.315 4.485 4.170 0.000 0.000 0.299 67 I C -1.164 174.759 176.117 -0.322 0.000 1.059 67 I CA -0.990 60.217 61.300 -0.155 0.000 1.055 67 I CB 2.243 40.204 38.000 -0.065 0.000 1.243 67 I HN 0.525 nan 8.210 nan 0.000 0.425 68 N N 5.985 124.684 118.700 -0.001 0.000 2.540 68 N HA 0.576 5.316 4.740 0.000 0.000 0.275 68 N C -1.616 173.979 175.510 0.141 0.000 1.053 68 N CA -0.324 52.776 53.050 0.084 0.000 0.876 68 N CB 1.033 39.744 38.487 0.373 0.000 1.284 68 N HN 0.474 nan 8.380 nan 0.000 0.518 69 L N 1.118 122.404 121.223 0.105 0.000 2.304 69 L HA 0.482 4.823 4.340 0.000 0.000 0.268 69 L C -0.291 176.695 176.870 0.193 0.000 1.010 69 L CA -1.236 53.695 54.840 0.152 0.000 0.813 69 L CB 1.310 43.448 42.059 0.132 0.000 1.315 69 L HN 0.571 nan 8.230 nan 0.000 0.445 70 H N 0.550 119.681 119.070 0.102 0.000 2.690 70 H HA 0.309 4.865 4.556 0.000 0.000 0.289 70 H C 0.304 175.688 175.328 0.094 0.000 1.089 70 H CA 0.665 56.772 56.048 0.097 0.000 1.299 70 H CB 0.679 30.491 29.762 0.082 0.000 1.405 70 H HN 0.698 nan 8.280 nan 0.000 0.463 71 S N 2.945 118.479 115.700 -0.277 0.000 2.865 71 S HA -0.378 4.092 4.470 0.000 0.000 0.630 71 S C 1.790 176.350 174.600 -0.068 0.000 3.160 71 S CA 1.595 59.660 58.200 -0.224 0.000 3.629 71 S CB -1.265 61.676 63.200 -0.432 0.000 0.312 71 S HN 1.105 nan 8.310 nan 0.000 1.632 72 A N 0.509 123.292 122.820 -0.061 0.000 1.858 72 A HA 0.243 4.563 4.320 0.000 0.000 0.216 72 A C 2.688 180.267 177.584 -0.009 0.000 1.190 72 A CA 2.834 54.859 52.037 -0.018 0.000 0.617 72 A CB -1.636 17.349 19.000 -0.025 0.000 0.827 72 A HN 1.772 nan 8.150 nan 0.000 0.443 73 A N -0.480 122.337 122.820 -0.004 0.000 1.883 73 A HA 0.049 4.369 4.320 0.000 0.000 0.217 73 A C 2.436 180.052 177.584 0.053 0.000 1.186 73 A CA 2.184 54.240 52.037 0.032 0.000 0.624 73 A CB -1.477 17.561 19.000 0.063 0.000 0.822 73 A HN 0.768 nan 8.150 nan 0.000 0.444 74 G N -1.339 107.509 108.800 0.079 0.000 2.421 74 G HA2 -0.140 3.820 3.960 0.000 0.000 0.216 74 G HA3 -0.140 3.820 3.960 0.000 0.000 0.216 74 G C 1.592 176.541 174.900 0.081 0.000 1.171 74 G CA 1.649 46.814 45.100 0.108 0.000 0.775 74 G HN 0.433 nan 8.290 nan 0.000 0.543 75 T N 1.089 115.688 114.554 0.076 0.000 2.684 75 T HA -0.067 4.284 4.350 0.000 0.000 0.267 75 T C 2.502 177.200 174.700 -0.004 0.000 1.036 75 T CA 1.549 63.685 62.100 0.061 0.000 1.148 75 T CB -0.707 68.197 68.868 0.060 0.000 0.863 75 T HN 0.361 nan 8.240 nan 0.000 0.436 76 G N 2.240 111.033 108.800 -0.012 0.000 2.469 76 G HA2 -0.286 3.674 3.960 0.000 0.000 0.219 76 G HA3 -0.286 3.674 3.960 0.000 0.000 0.219 76 G C 1.594 176.493 174.900 -0.002 0.000 1.150 76 G CA 0.780 45.866 45.100 -0.023 0.000 0.763 76 G HN 0.403 nan 8.290 nan 0.000 0.561 77 N N 0.986 119.699 118.700 0.022 0.000 2.443 77 N HA 0.007 4.747 4.740 0.000 0.000 0.184 77 N C 1.920 177.450 175.510 0.034 0.000 1.037 77 N CA 0.952 54.022 53.050 0.032 0.000 0.896 77 N CB -0.098 38.416 38.487 0.045 0.000 0.959 77 N HN 0.366 nan 8.380 nan 0.000 0.442 78 A N -0.311 122.526 122.820 0.028 0.000 2.348 78 A HA 0.182 4.503 4.320 0.000 0.000 0.224 78 A C 1.869 179.459 177.584 0.009 0.000 1.227 78 A CA -0.121 51.934 52.037 0.029 0.000 0.885 78 A CB 0.032 19.057 19.000 0.042 0.000 0.933 78 A HN -0.005 nan 8.150 nan 0.000 0.506 79 M N -0.137 119.454 119.600 -0.014 0.000 2.108 79 M HA -0.133 4.348 4.480 0.000 0.000 0.261 79 M C 2.201 178.486 176.300 -0.026 0.000 1.066 79 M CA 1.714 56.991 55.300 -0.039 0.000 1.107 79 M CB -1.681 30.885 32.600 -0.058 0.000 1.356 79 M HN 0.473 nan 8.290 nan 0.000 0.406 80 G N -0.140 108.655 108.800 -0.008 0.000 2.418 80 G HA2 -0.074 3.886 3.960 0.000 0.000 0.217 80 G HA3 -0.074 3.886 3.960 0.000 0.000 0.217 80 G C 1.680 176.580 174.900 0.000 0.000 1.158 80 G CA 1.250 46.345 45.100 -0.008 0.000 0.771 80 G HN 0.552 nan 8.290 nan 0.000 0.545 81 A N 0.556 123.393 122.820 0.027 0.000 1.933 81 A HA 0.097 4.417 4.320 0.000 0.000 0.218 81 A C 2.411 180.022 177.584 0.045 0.000 1.175 81 A CA 1.206 53.275 52.037 0.054 0.000 0.628 81 A CB -0.386 18.654 19.000 0.068 0.000 0.814 81 A HN 0.358 nan 8.150 nan 0.000 0.444 82 L N 0.493 121.735 121.223 0.033 0.000 2.201 82 L HA -0.171 4.169 4.340 0.000 0.000 0.212 82 L C 3.002 179.909 176.870 0.062 0.000 1.105 82 L CA 1.411 56.281 54.840 0.051 0.000 0.775 82 L CB -0.492 41.584 42.059 0.027 0.000 0.913 82 L HN 0.658 nan 8.230 nan 0.000 0.440 83 S N -0.278 115.429 115.700 0.011 0.000 2.382 83 S HA -0.178 4.292 4.470 0.000 0.000 0.228 83 S C 1.779 176.400 174.600 0.034 0.000 1.027 83 S CA 1.249 59.452 58.200 0.004 0.000 0.991 83 S CB -0.373 62.798 63.200 -0.048 0.000 0.823 83 S HN 0.430 nan 8.310 nan 0.000 0.469 84 N N 2.543 121.227 118.700 -0.026 0.000 2.106 84 N HA 0.078 4.818 4.740 0.000 0.000 0.188 84 N C 2.127 177.597 175.510 -0.068 0.000 1.029 84 N CA 1.502 54.483 53.050 -0.116 0.000 0.848 84 N CB -1.044 37.293 38.487 -0.250 0.000 1.007 84 N HN 0.600 nan 8.380 nan 0.000 0.423 85 A N 1.572 124.397 122.820 0.008 0.000 1.948 85 A HA -0.189 4.131 4.320 0.000 0.000 0.220 85 A C 2.053 179.681 177.584 0.074 0.000 1.177 85 A CA 1.275 53.339 52.037 0.046 0.000 0.636 85 A CB -1.139 17.914 19.000 0.088 0.000 0.815 85 A HN 0.618 nan 8.150 nan 0.000 0.449 86 W N 1.061 122.331 121.300 -0.050 0.000 2.358 86 W HA -0.190 4.470 4.660 0.000 0.000 0.303 86 W C 1.384 177.829 176.519 -0.122 0.000 1.208 86 W CA 2.003 59.322 57.345 -0.044 0.000 1.274 86 W CB -0.497 28.942 29.460 -0.036 0.000 1.138 86 W HN 0.415 nan 8.180 nan 0.000 0.515 87 N N 0.305 119.011 118.700 0.010 0.000 2.331 87 N HA -0.144 4.596 4.740 0.000 0.000 0.180 87 N C 1.781 177.096 175.510 -0.325 0.000 1.019 87 N CA 2.031 54.987 53.050 -0.157 0.000 0.881 87 N CB -0.449 38.017 38.487 -0.035 0.000 0.972 87 N HN 0.131 nan 8.380 nan 0.000 0.435 88 S N -1.526 114.036 115.700 -0.229 0.000 2.556 88 S HA 0.093 4.563 4.470 0.000 0.000 0.216 88 S C -0.116 174.429 174.600 -0.092 0.000 0.970 88 S CA -0.298 57.810 58.200 -0.153 0.000 0.912 88 S CB -0.547 62.616 63.200 -0.062 0.000 0.790 88 S HN 0.399 nan 8.310 nan 0.000 0.504 89 H N 0.828 119.826 119.070 -0.120 0.000 2.791 89 H HA -0.131 4.425 4.556 0.000 0.000 0.302 89 H C -0.652 174.643 175.328 -0.056 0.000 1.198 89 H CA 0.395 56.360 56.048 -0.138 0.000 1.145 89 H CB -2.150 27.542 29.762 -0.118 0.000 1.385 89 H HN 0.375 nan 8.280 nan 0.000 0.409 90 S N 2.492 118.230 115.700 0.063 0.000 2.481 90 S HA 0.117 4.587 4.470 0.000 0.000 0.276 90 S C -1.811 172.831 174.600 0.070 0.000 1.247 90 S CA -0.989 57.252 58.200 0.069 0.000 1.053 90 S CB 0.924 64.162 63.200 0.063 0.000 0.925 90 S HN 0.209 nan 8.310 nan 0.000 0.491 91 P HA 0.185 nan 4.420 nan 0.000 0.263 91 P C -1.044 176.306 177.300 0.083 0.000 1.601 91 P CA 0.010 63.151 63.100 0.069 0.000 1.161 91 P CB -0.204 31.530 31.700 0.057 0.000 1.730 92 L N 4.444 125.720 121.223 0.089 0.000 2.313 92 L HA 0.504 4.844 4.340 0.000 0.000 0.283 92 L C 0.710 177.633 176.870 0.089 0.000 1.013 92 L CA -0.973 53.917 54.840 0.083 0.000 0.816 92 L CB 1.899 43.998 42.059 0.066 0.000 1.236 92 L HN 0.151 nan 8.230 nan 0.000 0.419 93 I N 4.250 124.859 120.570 0.065 0.000 2.310 93 I HA 0.191 4.361 4.170 0.000 0.000 0.287 93 I C -0.302 175.725 176.117 -0.149 0.000 1.073 93 I CA -0.516 60.798 61.300 0.024 0.000 1.216 93 I CB 1.221 39.282 38.000 0.102 0.000 1.415 93 I HN 0.251 nan 8.210 nan 0.000 0.480 94 V N 5.325 125.208 119.914 -0.052 0.000 2.368 94 V HA 0.264 4.385 4.120 0.000 0.000 0.266 94 V C 0.599 176.575 176.094 -0.197 0.000 1.045 94 V CA -0.349 61.907 62.300 -0.075 0.000 0.899 94 V CB 1.055 32.967 31.823 0.148 0.000 1.006 94 V HN 0.792 nan 8.190 nan 0.000 0.470 95 T N 2.325 116.679 114.554 -0.333 0.000 2.823 95 T HA 0.860 5.210 4.350 0.000 0.000 0.279 95 T C -0.407 174.154 174.700 -0.232 0.000 0.998 95 T CA -0.551 61.344 62.100 -0.342 0.000 0.994 95 T CB 1.948 70.617 68.868 -0.333 0.000 0.960 95 T HN 0.932 nan 8.240 nan 0.000 0.448 96 A N 2.092 124.750 122.820 -0.270 0.000 2.393 96 A HA 0.859 5.179 4.320 0.000 0.000 0.306 96 A C 0.410 177.974 177.584 -0.034 0.000 1.050 96 A CA -0.737 51.245 52.037 -0.092 0.000 0.724 96 A CB 1.198 20.189 19.000 -0.016 0.000 1.248 96 A HN 1.331 nan 8.150 nan 0.000 0.424 97 G N 0.715 109.562 108.800 0.078 0.000 2.378 97 G HA2 0.456 4.416 3.960 0.000 0.000 0.255 97 G HA3 0.456 4.416 3.960 0.000 0.000 0.255 97 G C -0.097 174.857 174.900 0.090 0.000 1.270 97 G CA 0.048 45.245 45.100 0.160 0.000 0.876 97 G HN 0.847 nan 8.290 nan 0.000 0.521 98 Q N 0.731 120.593 119.800 0.103 0.000 2.204 98 Q HA 0.335 4.675 4.340 0.000 0.000 0.254 98 Q C 0.364 176.443 176.000 0.130 0.000 0.981 98 Q CA -0.637 55.195 55.803 0.050 0.000 0.897 98 Q CB 0.996 29.718 28.738 -0.027 0.000 1.273 98 Q HN 0.505 nan 8.270 nan 0.000 0.464 99 Q N 0.261 120.107 119.800 0.077 0.000 2.535 99 Q HA 0.089 4.430 4.340 0.000 0.000 0.228 99 Q C -0.560 175.341 176.000 -0.165 0.000 1.062 99 Q CA 0.243 56.103 55.803 0.096 0.000 0.967 99 Q CB 0.746 29.516 28.738 0.054 0.000 1.273 99 Q HN 0.835 nan 8.270 nan 0.000 0.554 100 T N 0.675 114.939 114.554 -0.482 0.000 2.916 100 T HA 0.039 4.390 4.350 0.000 0.000 0.303 100 T C 1.291 175.818 174.700 -0.288 0.000 1.025 100 T CA 0.056 61.749 62.100 -0.677 0.000 1.142 100 T CB 0.336 68.723 68.868 -0.800 0.000 0.947 100 T HN 0.508 nan 8.240 nan 0.000 0.544 101 R N 3.248 123.607 120.500 -0.235 0.000 2.154 101 R HA -0.172 4.168 4.340 0.000 0.000 0.248 101 R C 2.494 178.729 176.300 -0.108 0.000 1.155 101 R CA 1.589 57.601 56.100 -0.146 0.000 0.979 101 R CB -0.539 29.685 30.300 -0.127 0.000 0.869 101 R HN 0.760 nan 8.270 nan 0.000 0.452 102 A N 0.097 122.850 122.820 -0.111 0.000 2.121 102 A HA -0.042 4.278 4.320 0.000 0.000 0.218 102 A C 1.707 179.260 177.584 -0.051 0.000 1.154 102 A CA 1.010 53.006 52.037 -0.068 0.000 0.679 102 A CB -0.017 18.949 19.000 -0.056 0.000 0.795 102 A HN 0.200 nan 8.150 nan 0.000 0.458 103 M N -1.282 118.282 119.600 -0.059 0.000 2.347 103 M HA 0.315 4.796 4.480 0.000 0.000 0.324 103 M C 0.902 177.186 176.300 -0.026 0.000 1.028 103 M CA 0.120 55.403 55.300 -0.028 0.000 0.988 103 M CB 0.260 32.858 32.600 -0.002 0.000 1.528 103 M HN 0.300 nan 8.290 nan 0.000 0.550 104 I N 0.229 120.772 120.570 -0.045 0.000 2.353 104 I HA -0.108 4.062 4.170 0.000 0.000 0.248 104 I C 2.461 178.560 176.117 -0.031 0.000 1.119 104 I CA 1.300 62.576 61.300 -0.040 0.000 1.417 104 I CB -0.492 37.473 38.000 -0.058 0.000 1.078 104 I HN 0.375 nan 8.210 nan 0.000 0.421 105 G N 1.278 110.059 108.800 -0.031 0.000 2.446 105 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 105 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 105 G C 1.621 176.511 174.900 -0.017 0.000 1.168 105 G CA 1.376 46.461 45.100 -0.024 0.000 0.771 105 G HN 0.385 nan 8.290 nan 0.000 0.551 106 V N -2.247 117.660 119.914 -0.012 0.000 3.380 106 V HA 0.240 4.361 4.120 0.000 0.000 0.268 106 V C 0.707 176.799 176.094 -0.003 0.000 1.168 106 V CA 0.965 63.261 62.300 -0.006 0.000 1.156 106 V CB -0.839 30.984 31.823 -0.001 0.000 0.785 106 V HN 0.519 nan 8.190 nan 0.000 0.487 107 E N -0.033 120.164 120.200 -0.005 0.000 2.257 107 E HA -0.174 4.177 4.350 0.000 0.000 0.217 107 E C 0.551 177.155 176.600 0.008 0.000 1.248 107 E CA 0.190 56.588 56.400 -0.002 0.000 0.691 107 E CB -1.369 28.328 29.700 -0.005 0.000 1.185 107 E HN 1.000 nan 8.360 nan 0.000 0.377 108 A N 0.917 123.747 122.820 0.016 0.000 2.406 108 A HA 0.369 4.689 4.320 0.000 0.000 0.243 108 A C 0.434 178.040 177.584 0.037 0.000 1.082 108 A CA -0.310 51.745 52.037 0.029 0.000 0.786 108 A CB 0.430 19.455 19.000 0.042 0.000 1.029 108 A HN 0.374 nan 8.150 nan 0.000 0.495 109 L N 0.838 122.087 121.223 0.043 0.000 2.573 109 L HA 0.057 4.397 4.340 0.000 0.000 0.290 109 L C 0.828 177.738 176.870 0.066 0.000 1.247 109 L CA 1.427 56.296 54.840 0.049 0.000 0.876 109 L CB -0.322 41.769 42.059 0.054 0.000 1.123 109 L HN 0.741 nan 8.230 nan 0.000 0.505 110 L N 1.524 122.779 121.223 0.053 0.000 4.892 110 L HA -0.211 4.129 4.340 0.000 0.000 0.403 110 L C 0.277 177.155 176.870 0.012 0.000 0.913 110 L CA 0.445 55.309 54.840 0.039 0.000 1.653 110 L CB -2.416 39.709 42.059 0.110 0.000 1.780 110 L HN 0.761 nan 8.230 nan 0.000 0.597 111 T N 1.023 115.586 114.554 0.016 0.000 2.814 111 T HA 0.161 4.511 4.350 0.000 0.000 0.297 111 T C 0.605 175.295 174.700 -0.015 0.000 0.956 111 T CA -0.020 62.081 62.100 0.002 0.000 1.123 111 T CB 1.081 69.948 68.868 -0.001 0.000 0.902 111 T HN 0.133 nan 8.240 nan 0.000 0.528 112 N N 3.961 122.648 118.700 -0.022 0.000 2.482 112 N HA 0.122 4.862 4.740 0.000 0.000 0.242 112 N C -0.482 175.015 175.510 -0.023 0.000 1.100 112 N CA -0.264 52.774 53.050 -0.020 0.000 0.946 112 N CB 0.203 38.689 38.487 -0.003 0.000 1.227 112 N HN 0.283 nan 8.380 nan 0.000 0.508 113 V N 3.269 123.168 119.914 -0.025 0.000 2.572 113 V HA -0.005 4.115 4.120 0.000 0.000 0.291 113 V C 0.918 176.990 176.094 -0.036 0.000 1.039 113 V CA -0.136 62.146 62.300 -0.030 0.000 1.055 113 V CB 0.604 32.411 31.823 -0.027 0.000 0.969 113 V HN 0.732 nan 8.190 nan 0.000 0.482 114 D N 3.283 123.657 120.400 -0.043 0.000 2.737 114 D HA -0.268 4.372 4.640 0.000 0.000 0.233 114 D C 1.354 177.625 176.300 -0.048 0.000 1.155 114 D CA 1.000 54.971 54.000 -0.049 0.000 0.667 114 D CB -0.588 40.184 40.800 -0.047 0.000 1.060 114 D HN 0.837 nan 8.370 nan 0.000 0.427 115 A N 0.610 123.411 122.820 -0.033 0.000 1.882 115 A HA -0.170 4.150 4.320 0.000 0.000 0.220 115 A C 2.573 180.175 177.584 0.030 0.000 1.253 115 A CA 3.533 55.580 52.037 0.017 0.000 0.664 115 A CB -1.294 17.728 19.000 0.037 0.000 0.838 115 A HN 1.038 nan 8.150 nan 0.000 0.460 116 A N -0.839 121.979 122.820 -0.002 0.000 2.032 116 A HA -0.226 4.094 4.320 0.000 0.000 0.221 116 A C 1.840 179.375 177.584 -0.081 0.000 1.165 116 A CA 1.961 53.988 52.037 -0.016 0.000 0.645 116 A CB -0.657 18.291 19.000 -0.088 0.000 0.807 116 A HN 0.618 nan 8.150 nan 0.000 0.453 117 N N -0.666 117.981 118.700 -0.088 0.000 2.457 117 N HA -0.042 4.698 4.740 0.000 0.000 0.180 117 N C 1.464 176.888 175.510 -0.144 0.000 1.050 117 N CA 0.782 53.770 53.050 -0.104 0.000 0.906 117 N CB -0.283 38.156 38.487 -0.079 0.000 0.968 117 N HN 0.438 nan 8.380 nan 0.000 0.445 118 L N 2.700 123.819 121.223 -0.173 0.000 1.989 118 L HA -0.049 4.292 4.340 0.000 0.000 0.211 118 L C -0.903 175.794 176.870 -0.288 0.000 1.071 118 L CA 2.079 56.790 54.840 -0.214 0.000 0.749 118 L CB -1.421 40.508 42.059 -0.216 0.000 0.890 118 L HN 0.101 nan 8.230 nan 0.000 0.431 119 P HA -0.085 nan 4.420 nan 0.000 0.236 119 P C 0.043 177.190 177.300 -0.255 0.000 1.177 119 P CA 0.429 63.293 63.100 -0.394 0.000 0.773 119 P CB -0.073 31.256 31.700 -0.617 0.000 0.878 120 R N 1.947 122.316 120.500 -0.218 0.000 2.643 120 R HA 0.129 4.469 4.340 0.000 0.000 0.270 120 R C -1.358 174.822 176.300 -0.201 0.000 1.061 120 R CA -0.884 55.103 56.100 -0.188 0.000 1.107 120 R CB -0.109 30.107 30.300 -0.140 0.000 0.999 120 R HN 0.123 nan 8.270 nan 0.000 0.460 121 P HA 0.099 nan 4.420 nan 0.000 0.248 121 P C -0.016 176.936 177.300 -0.581 0.000 1.708 121 P CA 0.293 63.190 63.100 -0.339 0.000 1.062 121 P CB 0.275 31.786 31.700 -0.314 0.000 1.562 122 L N 0.046 121.014 121.223 -0.426 0.000 2.629 122 L HA 0.180 4.520 4.340 0.000 0.000 0.230 122 L C 0.763 177.589 176.870 -0.073 0.000 1.151 122 L CA -0.241 54.345 54.840 -0.424 0.000 0.924 122 L CB 0.181 42.110 42.059 -0.216 0.000 1.137 122 L HN -0.080 nan 8.230 nan 0.000 0.457 123 V N -5.283 114.621 119.914 -0.017 0.000 2.925 123 V HA 0.370 4.491 4.120 0.000 0.000 0.311 123 V C 0.627 176.996 176.094 0.459 0.000 1.104 123 V CA -1.049 61.430 62.300 0.298 0.000 0.954 123 V CB 2.154 34.080 31.823 0.172 0.000 1.022 123 V HN 0.035 nan 8.190 nan 0.000 0.427 124 K N 1.004 121.730 120.400 0.543 0.000 2.148 124 K HA 0.072 4.393 4.320 0.000 0.000 0.204 124 K C -0.206 176.655 176.600 0.435 0.000 1.050 124 K CA 1.700 58.268 56.287 0.468 0.000 0.942 124 K CB 0.160 32.837 32.500 0.294 0.000 0.724 124 K HN 0.746 nan 8.250 nan 0.000 0.446 125 W N -0.055 121.347 121.300 0.169 0.000 3.425 125 W HA 0.322 4.982 4.660 0.000 0.000 0.318 125 W C -1.623 174.995 176.519 0.165 0.000 1.201 125 W CA -0.671 56.752 57.345 0.130 0.000 1.212 125 W CB 1.938 31.448 29.460 0.084 0.000 1.355 125 W HN -0.358 nan 8.180 nan 0.000 0.515 126 S N 5.111 120.561 115.700 -0.417 0.000 2.571 126 S HA 0.764 5.234 4.470 0.000 0.000 0.284 126 S C -2.071 172.175 174.600 -0.590 0.000 1.128 126 S CA -0.311 57.702 58.200 -0.311 0.000 0.970 126 S CB 0.772 63.926 63.200 -0.077 0.000 1.039 126 S HN 0.513 nan 8.310 nan 0.000 0.485 127 Y N 2.159 122.017 120.300 -0.737 0.000 2.624 127 Y HA 0.571 5.121 4.550 0.000 0.000 0.334 127 Y C -1.568 174.109 175.900 -0.372 0.000 1.155 127 Y CA -0.702 56.996 58.100 -0.670 0.000 1.046 127 Y CB 1.538 39.282 38.460 -1.194 0.000 1.316 127 Y HN 0.688 nan 8.280 nan 0.000 0.457 128 E N 5.121 124.743 120.200 -0.963 0.000 2.281 128 E HA 0.487 4.837 4.350 0.000 0.000 0.266 128 E C -2.957 173.092 176.600 -0.919 0.000 0.893 128 E CA -2.383 53.618 56.400 -0.665 0.000 0.798 128 E CB 1.956 31.413 29.700 -0.404 0.000 1.245 128 E HN 0.310 nan 8.360 nan 0.000 0.410 129 P HA 0.034 nan 4.420 nan 0.000 0.267 129 P C -0.265 176.921 177.300 -0.189 0.000 1.200 129 P CA 0.167 63.153 63.100 -0.191 0.000 0.772 129 P CB 0.979 32.669 31.700 -0.017 0.000 0.855 130 A N 1.436 124.212 122.820 -0.073 0.000 2.218 130 A HA 0.265 4.586 4.320 0.000 0.000 0.209 130 A C 0.555 178.113 177.584 -0.044 0.000 1.168 130 A CA 0.981 52.982 52.037 -0.060 0.000 0.804 130 A CB -0.513 18.485 19.000 -0.003 0.000 0.834 130 A HN 0.607 nan 8.150 nan 0.000 0.482 131 S N -3.923 111.755 115.700 -0.036 0.000 2.567 131 S HA 0.588 5.059 4.470 0.000 0.000 0.270 131 S C 0.616 175.184 174.600 -0.053 0.000 1.152 131 S CA -0.013 58.163 58.200 -0.038 0.000 0.835 131 S CB 0.942 64.137 63.200 -0.007 0.000 1.115 131 S HN 0.996 nan 8.310 nan 0.000 0.459 132 A N 1.709 124.488 122.820 -0.069 0.000 1.908 132 A HA 0.230 4.550 4.320 0.000 0.000 0.218 132 A C 2.310 179.867 177.584 -0.045 0.000 1.181 132 A CA 2.154 54.134 52.037 -0.095 0.000 0.627 132 A CB -1.603 17.350 19.000 -0.078 0.000 0.818 132 A HN 1.819 nan 8.150 nan 0.000 0.445 133 A N -0.812 122.006 122.820 -0.002 0.000 2.125 133 A HA -0.160 4.160 4.320 0.000 0.000 0.219 133 A C 1.929 179.545 177.584 0.053 0.000 1.156 133 A CA 1.644 53.699 52.037 0.030 0.000 0.671 133 A CB -0.427 18.592 19.000 0.033 0.000 0.794 133 A HN 0.678 nan 8.150 nan 0.000 0.459 134 E N -0.179 120.055 120.200 0.057 0.000 2.371 134 E HA -0.016 4.334 4.350 0.000 0.000 0.194 134 E C 1.629 178.307 176.600 0.131 0.000 1.012 134 E CA 0.595 57.070 56.400 0.125 0.000 0.860 134 E CB -0.024 29.765 29.700 0.149 0.000 0.811 134 E HN 0.373 nan 8.360 nan 0.000 0.502 135 V N 1.790 121.726 119.914 0.037 0.000 2.250 135 V HA -0.245 3.875 4.120 0.000 0.000 0.250 135 V C -0.699 175.455 176.094 0.100 0.000 1.060 135 V CA 2.325 64.623 62.300 -0.003 0.000 1.030 135 V CB -1.519 30.175 31.823 -0.216 0.000 0.643 135 V HN 0.285 nan 8.190 nan 0.000 0.445 136 P HA -0.200 nan 4.420 nan 0.000 0.216 136 P C 1.711 179.137 177.300 0.210 0.000 1.153 136 P CA 1.816 65.027 63.100 0.186 0.000 0.858 136 P CB -0.201 31.604 31.700 0.175 0.000 0.789 137 H N -0.565 118.553 119.070 0.079 0.000 2.321 137 H HA -0.089 4.467 4.556 0.000 0.000 0.300 137 H C 1.799 177.179 175.328 0.088 0.000 1.087 137 H CA 1.238 57.322 56.048 0.061 0.000 1.319 137 H CB -0.145 29.642 29.762 0.041 0.000 1.379 137 H HN -0.014 nan 8.280 nan 0.000 0.501 138 A N 0.923 123.794 122.820 0.085 0.000 1.933 138 A HA -0.203 4.117 4.320 0.000 0.000 0.218 138 A C 2.375 180.074 177.584 0.191 0.000 1.175 138 A CA 1.725 53.843 52.037 0.136 0.000 0.628 138 A CB -0.635 18.557 19.000 0.321 0.000 0.814 138 A HN 0.513 nan 8.150 nan 0.000 0.444 139 M N -0.242 119.466 119.600 0.180 0.000 2.175 139 M HA -0.066 4.414 4.480 0.000 0.000 0.264 139 M C 2.267 178.645 176.300 0.128 0.000 1.063 139 M CA 2.014 57.429 55.300 0.193 0.000 1.119 139 M CB -0.565 32.161 32.600 0.211 0.000 1.377 139 M HN 0.388 nan 8.290 nan 0.000 0.415 140 S N -0.114 115.653 115.700 0.111 0.000 2.356 140 S HA -0.170 4.300 4.470 0.000 0.000 0.223 140 S C 2.044 176.655 174.600 0.018 0.000 1.032 140 S CA 1.614 59.870 58.200 0.093 0.000 1.005 140 S CB -0.182 63.139 63.200 0.203 0.000 0.867 140 S HN 0.620 nan 8.310 nan 0.000 0.449 141 R N 0.799 121.230 120.500 -0.115 0.000 2.081 141 R HA -0.022 4.319 4.340 0.000 0.000 0.235 141 R C 2.689 178.753 176.300 -0.393 0.000 1.131 141 R CA 1.348 57.205 56.100 -0.405 0.000 0.960 141 R CB -0.687 29.088 30.300 -0.876 0.000 0.856 141 R HN 0.502 nan 8.270 nan 0.000 0.436 142 A N 1.515 124.279 122.820 -0.092 0.000 1.865 142 A HA -0.177 4.144 4.320 0.000 0.000 0.217 142 A C 2.203 179.819 177.584 0.053 0.000 1.191 142 A CA 1.414 53.554 52.037 0.172 0.000 0.623 142 A CB -0.610 18.587 19.000 0.330 0.000 0.826 142 A HN 0.195 nan 8.150 nan 0.000 0.444 143 I N -1.058 119.498 120.570 -0.023 0.000 2.163 143 I HA -0.297 3.873 4.170 0.000 0.000 0.243 143 I C 2.487 178.480 176.117 -0.206 0.000 1.085 143 I CA 1.578 62.804 61.300 -0.124 0.000 1.347 143 I CB -0.614 37.226 38.000 -0.267 0.000 1.044 143 I HN 0.428 nan 8.210 nan 0.000 0.408 144 H N -0.292 118.754 119.070 -0.040 0.000 2.403 144 H HA 0.000 4.557 4.556 0.000 0.000 0.298 144 H C 2.324 177.598 175.328 -0.091 0.000 1.059 144 H CA 1.035 57.038 56.048 -0.076 0.000 1.363 144 H CB -0.105 29.594 29.762 -0.104 0.000 1.410 144 H HN 0.250 nan 8.280 nan 0.000 0.528 145 M N 0.393 119.973 119.600 -0.035 0.000 2.213 145 M HA -0.041 4.439 4.480 0.000 0.000 0.263 145 M C 2.402 178.720 176.300 0.031 0.000 1.062 145 M CA 0.876 56.145 55.300 -0.053 0.000 1.105 145 M CB -0.839 31.682 32.600 -0.133 0.000 1.385 145 M HN 0.213 nan 8.290 nan 0.000 0.417 146 A N -1.144 121.708 122.820 0.052 0.000 1.970 146 A HA -0.015 4.306 4.320 0.000 0.000 0.216 146 A C 2.383 179.989 177.584 0.037 0.000 1.170 146 A CA 1.528 53.606 52.037 0.068 0.000 0.645 146 A CB -0.403 18.651 19.000 0.090 0.000 0.816 146 A HN 0.459 nan 8.150 nan 0.000 0.447 147 S N -0.399 115.316 115.700 0.024 0.000 2.425 147 S HA 0.186 4.656 4.470 0.000 0.000 0.225 147 S C 0.883 175.486 174.600 0.005 0.000 1.024 147 S CA 0.146 58.357 58.200 0.017 0.000 0.951 147 S CB -0.229 62.981 63.200 0.017 0.000 0.796 147 S HN 0.537 nan 8.310 nan 0.000 0.498 148 M N 1.796 121.398 119.600 0.004 0.000 2.243 148 M HA 0.279 4.759 4.480 0.000 0.000 0.341 148 M C 0.284 176.553 176.300 -0.052 0.000 1.130 148 M CA -0.377 54.911 55.300 -0.020 0.000 1.162 148 M CB 0.304 32.889 32.600 -0.024 0.000 1.497 148 M HN 0.141 nan 8.290 nan 0.000 0.456 149 A N 4.710 127.490 122.820 -0.068 0.000 2.450 149 A HA 0.429 4.750 4.320 0.000 0.000 0.255 149 A C -2.223 175.285 177.584 -0.126 0.000 1.096 149 A CA -1.125 50.841 52.037 -0.118 0.000 0.778 149 A CB -0.680 18.257 19.000 -0.105 0.000 1.031 149 A HN 0.526 nan 8.150 nan 0.000 0.494 150 P HA 0.176 nan 4.420 nan 0.000 0.287 150 P C -0.661 176.490 177.300 -0.249 0.000 1.281 150 P CA -0.256 62.631 63.100 -0.354 0.000 0.781 150 P CB 0.806 32.196 31.700 -0.517 0.000 0.903 151 Q N 1.159 120.840 119.800 -0.198 0.000 2.432 151 Q HA 0.496 4.836 4.340 0.000 0.000 0.264 151 Q C 0.686 176.671 176.000 -0.023 0.000 1.035 151 Q CA 0.389 56.153 55.803 -0.066 0.000 0.908 151 Q CB 0.424 29.153 28.738 -0.016 0.000 1.280 151 Q HN 0.736 nan 8.270 nan 0.000 0.455 152 G N 1.165 109.973 108.800 0.013 0.000 2.451 152 G HA2 0.339 4.299 3.960 0.000 0.000 0.292 152 G HA3 0.339 4.299 3.960 0.000 0.000 0.292 152 G C -3.078 171.887 174.900 0.108 0.000 1.427 152 G CA -0.888 44.227 45.100 0.026 0.000 0.792 152 G HN 0.386 nan 8.290 nan 0.000 0.498 153 P HA 0.461 nan 4.420 nan 0.000 0.279 153 P C -0.093 177.352 177.300 0.242 0.000 1.239 153 P CA -0.159 63.055 63.100 0.190 0.000 0.789 153 P CB 1.688 33.504 31.700 0.192 0.000 0.933 154 V N 0.788 120.841 119.914 0.232 0.000 3.001 154 V HA 0.624 4.744 4.120 0.000 0.000 0.314 154 V C -1.465 174.797 176.094 0.281 0.000 1.099 154 V CA -1.102 61.377 62.300 0.299 0.000 0.989 154 V CB 2.158 34.202 31.823 0.368 0.000 1.040 154 V HN 0.488 nan 8.190 nan 0.000 0.434 155 Y N 2.844 123.190 120.300 0.076 0.000 2.361 155 Y HA 0.824 5.374 4.550 0.000 0.000 0.337 155 Y C -1.208 174.644 175.900 -0.080 0.000 0.965 155 Y CA -1.187 56.901 58.100 -0.020 0.000 1.091 155 Y CB 2.008 40.433 38.460 -0.059 0.000 1.182 155 Y HN 0.894 nan 8.280 nan 0.000 0.450 156 L N 5.361 126.286 121.223 -0.496 0.000 2.406 156 L HA 0.614 4.954 4.340 0.000 0.000 0.272 156 L C -1.120 175.401 176.870 -0.581 0.000 0.980 156 L CA -0.194 54.414 54.840 -0.387 0.000 0.831 156 L CB 1.934 43.943 42.059 -0.083 0.000 1.253 156 L HN 0.559 nan 8.230 nan 0.000 0.406 157 S N 4.185 119.599 115.700 -0.478 0.000 2.437 157 S HA 0.836 5.307 4.470 0.000 0.000 0.305 157 S C -1.059 173.409 174.600 -0.220 0.000 1.109 157 S CA -0.451 57.534 58.200 -0.358 0.000 1.099 157 S CB 0.894 63.944 63.200 -0.250 0.000 1.004 157 S HN 0.465 nan 8.310 nan 0.000 0.475 158 V N 7.445 127.274 119.914 -0.142 0.000 2.443 158 V HA 0.429 4.549 4.120 0.000 0.000 0.293 158 V C -2.483 173.561 176.094 -0.083 0.000 1.021 158 V CA -2.078 60.127 62.300 -0.157 0.000 0.848 158 V CB 1.603 33.302 31.823 -0.207 0.000 0.998 158 V HN 0.711 nan 8.190 nan 0.000 0.424 159 P HA 0.017 nan 4.420 nan 0.000 0.264 159 P C 0.298 177.570 177.300 -0.046 0.000 1.193 159 P CA 0.049 63.083 63.100 -0.109 0.000 0.763 159 P CB 0.189 31.780 31.700 -0.180 0.000 0.810 160 Y N 2.818 123.174 120.300 0.092 0.000 2.483 160 Y HA -0.146 4.404 4.550 0.000 0.000 0.291 160 Y C 1.288 177.317 175.900 0.215 0.000 1.143 160 Y CA 1.179 59.429 58.100 0.249 0.000 1.289 160 Y CB -1.140 37.482 38.460 0.271 0.000 0.983 160 Y HN 0.289 nan 8.280 nan 0.000 0.556 161 D N -0.812 119.527 120.400 -0.102 0.000 2.340 161 D HA -0.095 4.545 4.640 0.000 0.000 0.220 161 D C 0.540 176.836 176.300 -0.008 0.000 1.039 161 D CA 0.481 54.471 54.000 -0.018 0.000 0.866 161 D CB -0.229 40.459 40.800 -0.186 0.000 0.913 161 D HN 0.357 nan 8.370 nan 0.000 0.523 162 D N 0.606 120.931 120.400 -0.124 0.000 2.162 162 D HA -0.061 4.579 4.640 0.000 0.000 0.203 162 D C 1.664 177.900 176.300 -0.107 0.000 0.967 162 D CA 0.587 54.459 54.000 -0.213 0.000 0.840 162 D CB -0.551 39.984 40.800 -0.442 0.000 0.972 162 D HN 0.372 nan 8.370 nan 0.000 0.482 163 W N 1.642 123.055 121.300 0.189 0.000 2.305 163 W HA -0.162 4.498 4.660 0.001 0.000 0.308 163 W C 1.775 178.427 176.519 0.222 0.000 1.226 163 W CA 0.697 58.197 57.345 0.258 0.000 1.253 163 W CB -0.244 29.434 29.460 0.364 0.000 1.146 163 W HN -0.072 nan 8.180 nan 0.000 0.507 164 D N -0.186 120.433 120.400 0.365 0.000 2.317 164 D HA -0.046 4.594 4.640 0.000 0.000 0.211 164 D C 0.992 177.390 176.300 0.163 0.000 0.966 164 D CA 0.839 54.979 54.000 0.233 0.000 0.876 164 D CB -0.258 40.650 40.800 0.179 0.000 0.927 164 D HN -0.041 nan 8.370 nan 0.000 0.519 165 K N 1.593 122.074 120.400 0.135 0.000 2.230 165 K HA 0.062 4.382 4.320 0.000 0.000 0.253 165 K C 0.150 176.812 176.600 0.103 0.000 1.008 165 K CA -0.205 56.135 56.287 0.088 0.000 0.910 165 K CB 0.450 32.976 32.500 0.044 0.000 0.994 165 K HN -0.020 nan 8.250 nan 0.000 0.495 166 D N 0.489 120.938 120.400 0.080 0.000 2.382 166 D HA 0.159 4.799 4.640 0.000 0.000 0.245 166 D C -0.070 176.282 176.300 0.088 0.000 1.120 166 D CA 0.146 54.198 54.000 0.086 0.000 0.890 166 D CB 0.875 41.715 40.800 0.066 0.000 1.201 166 D HN 0.447 nan 8.370 nan 0.000 0.433 167 A N 1.738 124.623 122.820 0.108 0.000 2.293 167 A HA 0.216 4.537 4.320 0.000 0.000 0.302 167 A C 0.105 177.738 177.584 0.082 0.000 1.119 167 A CA -0.636 51.465 52.037 0.106 0.000 0.823 167 A CB 0.693 19.782 19.000 0.149 0.000 1.097 167 A HN 0.460 nan 8.150 nan 0.000 0.491 168 D N 1.468 121.906 120.400 0.063 0.000 2.383 168 D HA 0.216 4.856 4.640 0.000 0.000 0.252 168 D C -1.627 174.703 176.300 0.050 0.000 1.166 168 D CA -1.597 52.430 54.000 0.045 0.000 0.879 168 D CB 1.067 41.881 40.800 0.023 0.000 1.164 168 D HN 0.104 nan 8.370 nan 0.000 0.462 169 P HA -0.145 nan 4.420 nan 0.000 0.217 169 P C 0.998 178.368 177.300 0.117 0.000 1.148 169 P CA 0.965 64.119 63.100 0.091 0.000 0.828 169 P CB 0.240 31.989 31.700 0.081 0.000 0.783 170 Q N -0.917 118.915 119.800 0.054 0.000 2.541 170 Q HA -0.002 4.338 4.340 0.000 0.000 0.215 170 Q C 1.878 177.776 176.000 -0.170 0.000 0.977 170 Q CA 0.840 56.642 55.803 -0.003 0.000 0.934 170 Q CB -0.796 27.958 28.738 0.026 0.000 0.988 170 Q HN 0.281 nan 8.270 nan 0.000 0.521 171 S N 0.430 116.042 115.700 -0.148 0.000 2.447 171 S HA -0.126 4.344 4.470 0.000 0.000 0.233 171 S C 1.585 175.821 174.600 -0.607 0.000 1.006 171 S CA 0.829 58.881 58.200 -0.246 0.000 0.957 171 S CB -0.337 62.801 63.200 -0.104 0.000 0.773 171 S HN 0.627 nan 8.310 nan 0.000 0.507 172 H N 0.558 119.231 119.070 -0.661 0.000 2.489 172 H HA -0.080 4.476 4.556 0.000 0.000 0.295 172 H C 1.271 176.144 175.328 -0.757 0.000 1.082 172 H CA 1.404 56.781 56.048 -1.118 0.000 1.295 172 H CB -0.704 28.791 29.762 -0.445 0.000 1.380 172 H HN 0.487 nan 8.280 nan 0.000 0.548 173 H N 0.766 119.305 119.070 -0.885 0.000 2.543 173 H HA 0.020 4.576 4.556 0.000 0.000 0.286 173 H C 2.298 177.468 175.328 -0.263 0.000 1.037 173 H CA 0.877 56.625 56.048 -0.499 0.000 1.250 173 H CB 0.335 29.823 29.762 -0.456 0.000 1.373 173 H HN 0.425 nan 8.280 nan 0.000 0.580 174 L N -0.886 120.205 121.223 -0.221 0.000 2.202 174 L HA -0.063 4.277 4.340 0.000 0.000 0.205 174 L C 2.097 179.052 176.870 0.141 0.000 1.083 174 L CA 0.093 54.916 54.840 -0.027 0.000 0.790 174 L CB -0.398 41.655 42.059 -0.010 0.000 0.942 174 L HN 0.011 nan 8.230 nan 0.000 0.452 175 F N 1.058 121.073 119.950 0.109 0.000 2.048 175 F HA -0.321 4.207 4.527 0.001 0.000 0.296 175 F C 1.779 177.647 175.800 0.113 0.000 1.109 175 F CA 1.289 59.355 58.000 0.110 0.000 1.214 175 F CB -0.896 38.167 39.000 0.106 0.000 0.963 175 F HN 0.188 nan 8.300 nan 0.000 0.491 176 D N -0.171 120.418 120.400 0.315 0.000 2.463 176 D HA 0.069 4.709 4.640 0.000 0.000 0.224 176 D C 0.293 176.711 176.300 0.196 0.000 1.174 176 D CA -0.075 54.062 54.000 0.228 0.000 0.829 176 D CB -0.059 40.858 40.800 0.196 0.000 0.993 176 D HN 0.163 nan 8.370 nan 0.000 0.497 177 R N 1.100 121.715 120.500 0.191 0.000 2.522 177 R HA 0.057 4.397 4.340 0.000 0.000 0.284 177 R C 0.258 176.644 176.300 0.144 0.000 1.032 177 R CA 0.282 56.459 56.100 0.127 0.000 1.049 177 R CB 0.573 30.914 30.300 0.067 0.000 0.956 177 R HN 0.148 nan 8.270 nan 0.000 0.422 178 H N 3.299 122.380 119.070 0.018 0.000 2.638 178 H HA 0.260 4.816 4.556 0.000 0.000 0.317 178 H C -1.298 174.000 175.328 -0.051 0.000 1.006 178 H CA -0.588 55.476 56.048 0.027 0.000 1.222 178 H CB 1.007 30.791 29.762 0.037 0.000 1.419 178 H HN 0.215 nan 8.280 nan 0.000 0.489 179 V N 4.373 124.207 119.914 -0.134 0.000 2.398 179 V HA 0.276 4.396 4.120 0.000 0.000 0.286 179 V C 0.367 176.466 176.094 0.007 0.000 1.026 179 V CA -0.551 61.693 62.300 -0.093 0.000 0.868 179 V CB 1.456 33.117 31.823 -0.271 0.000 0.982 179 V HN 0.757 nan 8.190 nan 0.000 0.443 180 S N 2.704 118.453 115.700 0.083 0.000 2.513 180 S HA 0.623 5.093 4.470 0.000 0.000 0.299 180 S C 0.380 174.998 174.600 0.031 0.000 1.087 180 S CA 0.095 58.352 58.200 0.094 0.000 1.012 180 S CB 1.866 65.154 63.200 0.147 0.000 1.044 180 S HN 0.991 nan 8.310 nan 0.000 0.485 181 S N 1.801 117.513 115.700 0.021 0.000 3.031 181 S HA 0.205 4.675 4.470 0.000 0.000 0.253 181 S C 0.182 174.782 174.600 -0.000 0.000 0.996 181 S CA -0.339 57.859 58.200 -0.002 0.000 1.098 181 S CB 0.189 63.377 63.200 -0.020 0.000 1.042 181 S HN 0.537 nan 8.310 nan 0.000 0.593 182 S N 2.780 118.490 115.700 0.017 0.000 4.120 182 S HA 0.430 4.900 4.470 0.000 0.000 0.215 182 S C 0.293 174.896 174.600 0.005 0.000 1.347 182 S CA -0.221 57.987 58.200 0.014 0.000 0.889 182 S CB -1.239 61.979 63.200 0.029 0.000 1.585 182 S HN 0.726 nan 8.310 nan 0.000 0.447 183 V N 2.635 122.547 119.914 -0.004 0.000 3.019 183 V HA 0.998 5.118 4.120 0.000 0.000 0.317 183 V C -0.692 175.397 176.094 -0.008 0.000 1.094 183 V CA -1.369 60.927 62.300 -0.007 0.000 1.000 183 V CB 1.894 33.711 31.823 -0.011 0.000 1.060 183 V HN 0.727 nan 8.190 nan 0.000 0.443 184 R N 1.733 122.228 120.500 -0.008 0.000 2.739 184 R HA 0.732 5.073 4.340 0.000 0.000 0.271 184 R C -1.036 175.259 176.300 -0.008 0.000 1.010 184 R CA -0.966 55.130 56.100 -0.007 0.000 0.897 184 R CB 0.605 30.902 30.300 -0.004 0.000 1.236 184 R HN 0.861 nan 8.270 nan 0.000 0.466 185 L N 2.067 123.285 121.223 -0.008 0.000 2.573 185 L HA 0.099 4.439 4.340 0.000 0.000 0.290 185 L C -0.363 176.504 176.870 -0.006 0.000 1.247 185 L CA 0.645 55.480 54.840 -0.008 0.000 0.876 185 L CB -0.166 41.889 42.059 -0.007 0.000 1.123 185 L HN 0.936 nan 8.230 nan 0.000 0.505 186 N N 1.984 120.681 118.700 -0.006 0.000 2.344 186 N HA -0.032 4.708 4.740 0.000 0.000 0.236 186 N C 0.449 175.957 175.510 -0.004 0.000 1.279 186 N CA 0.100 53.147 53.050 -0.005 0.000 0.882 186 N CB 0.234 38.718 38.487 -0.006 0.000 1.110 186 N HN 0.602 nan 8.380 nan 0.000 0.436 187 D N -0.146 120.252 120.400 -0.003 0.000 2.103 187 D HA -0.281 4.359 4.640 0.000 0.000 0.190 187 D C 1.577 177.876 176.300 -0.001 0.000 0.997 187 D CA 1.622 55.621 54.000 -0.002 0.000 0.833 187 D CB -0.510 40.289 40.800 -0.002 0.000 0.961 187 D HN 0.825 nan 8.370 nan 0.000 0.447 188 Q N 0.340 120.139 119.800 -0.002 0.000 2.045 188 Q HA -0.204 4.136 4.340 0.000 0.000 0.206 188 Q C 1.343 177.342 176.000 -0.002 0.000 0.991 188 Q CA 1.920 57.722 55.803 -0.002 0.000 0.851 188 Q CB 0.023 28.760 28.738 -0.002 0.000 0.911 188 Q HN 0.155 nan 8.270 nan 0.000 0.418 189 D N 0.234 120.633 120.400 -0.003 0.000 2.178 189 D HA -0.126 4.514 4.640 0.000 0.000 0.202 189 D C 1.841 178.140 176.300 -0.002 0.000 0.974 189 D CA 0.505 54.503 54.000 -0.003 0.000 0.841 189 D CB -0.142 40.655 40.800 -0.005 0.000 0.953 189 D HN 0.232 nan 8.370 nan 0.000 0.478 190 L N 1.091 122.313 121.223 -0.002 0.000 2.056 190 L HA -0.115 4.225 4.340 0.000 0.000 0.207 190 L C 1.377 178.248 176.870 0.002 0.000 1.078 190 L CA 1.760 56.600 54.840 -0.000 0.000 0.749 190 L CB -0.412 41.647 42.059 -0.000 0.000 0.901 190 L HN -0.159 nan 8.230 nan 0.000 0.433 191 D N -0.311 120.090 120.400 0.002 0.000 2.144 191 D HA -0.174 4.466 4.640 0.000 0.000 0.199 191 D C 2.344 178.646 176.300 0.003 0.000 0.984 191 D CA 1.694 55.695 54.000 0.003 0.000 0.834 191 D CB -0.055 40.747 40.800 0.002 0.000 0.955 191 D HN 0.432 nan 8.370 nan 0.000 0.465 192 I N 0.592 121.163 120.570 0.002 0.000 2.208 192 I HA -0.257 3.914 4.170 0.000 0.000 0.245 192 I C 2.405 178.523 176.117 0.003 0.000 1.097 192 I CA 0.543 61.845 61.300 0.002 0.000 1.363 192 I CB -0.162 37.839 38.000 0.001 0.000 1.051 192 I HN 0.024 nan 8.210 nan 0.000 0.413 193 L N 0.655 121.880 121.223 0.002 0.000 1.994 193 L HA -0.140 4.201 4.340 0.000 0.000 0.208 193 L C 2.432 179.306 176.870 0.006 0.000 1.071 193 L CA 1.796 56.638 54.840 0.003 0.000 0.745 193 L CB -0.596 41.464 42.059 0.001 0.000 0.892 193 L HN -0.032 nan 8.230 nan 0.000 0.431 194 V N 0.012 119.930 119.914 0.007 0.000 2.332 194 V HA -0.337 3.783 4.120 0.000 0.000 0.248 194 V C 2.633 178.733 176.094 0.010 0.000 1.055 194 V CA 2.202 64.508 62.300 0.009 0.000 1.038 194 V CB -0.826 31.002 31.823 0.009 0.000 0.651 194 V HN 0.476 nan 8.190 nan 0.000 0.450 195 K N 0.151 120.556 120.400 0.009 0.000 2.057 195 K HA -0.126 4.194 4.320 0.000 0.000 0.207 195 K C 2.333 178.940 176.600 0.011 0.000 1.049 195 K CA 1.439 57.731 56.287 0.009 0.000 0.931 195 K CB -0.422 32.083 32.500 0.007 0.000 0.714 195 K HN 0.488 nan 8.250 nan 0.000 0.440 196 A N 1.479 124.305 122.820 0.010 0.000 1.902 196 A HA -0.136 4.185 4.320 0.000 0.000 0.217 196 A C 2.115 179.709 177.584 0.016 0.000 1.181 196 A CA 1.255 53.300 52.037 0.012 0.000 0.623 196 A CB -0.588 18.418 19.000 0.010 0.000 0.818 196 A HN 0.151 nan 8.150 nan 0.000 0.443 197 L N -0.478 120.755 121.223 0.016 0.000 2.056 197 L HA -0.168 4.172 4.340 0.000 0.000 0.207 197 L C 2.179 179.062 176.870 0.022 0.000 1.078 197 L CA 1.147 55.999 54.840 0.020 0.000 0.749 197 L CB -0.657 41.412 42.059 0.018 0.000 0.901 197 L HN 0.331 nan 8.230 nan 0.000 0.433 198 N N -0.360 118.351 118.700 0.018 0.000 2.289 198 N HA -0.122 4.618 4.740 0.000 0.000 0.184 198 N C 1.920 177.441 175.510 0.019 0.000 1.016 198 N CA 1.287 54.348 53.050 0.018 0.000 0.872 198 N CB -0.114 38.382 38.487 0.015 0.000 0.973 198 N HN 0.183 nan 8.380 nan 0.000 0.433 199 S N 0.133 115.844 115.700 0.018 0.000 2.478 199 S HA 0.210 4.680 4.470 0.000 0.000 0.222 199 S C 0.868 175.481 174.600 0.021 0.000 1.008 199 S CA -0.193 58.017 58.200 0.017 0.000 0.928 199 S CB 0.035 63.244 63.200 0.014 0.000 0.781 199 S HN 0.428 nan 8.310 nan 0.000 0.518 200 A N 2.235 125.071 122.820 0.027 0.000 2.566 200 A HA 0.228 4.548 4.320 0.000 0.000 0.245 200 A C 1.408 179.014 177.584 0.036 0.000 1.056 200 A CA 0.304 52.362 52.037 0.035 0.000 0.757 200 A CB 0.087 19.113 19.000 0.044 0.000 0.979 200 A HN 0.442 nan 8.150 nan 0.000 0.508 201 S N 1.466 117.186 115.700 0.034 0.000 2.446 201 S HA -0.009 4.461 4.470 0.000 0.000 0.225 201 S C 0.723 175.346 174.600 0.038 0.000 1.016 201 S CA 0.896 59.113 58.200 0.028 0.000 0.943 201 S CB -0.114 63.095 63.200 0.015 0.000 0.786 201 S HN 0.828 nan 8.310 nan 0.000 0.508 202 N N 1.925 120.661 118.700 0.060 0.000 2.697 202 N HA 0.351 5.091 4.740 0.000 0.000 0.253 202 N C -3.207 172.448 175.510 0.242 0.000 1.604 202 N CA -1.702 51.409 53.050 0.102 0.000 0.772 202 N CB 1.294 39.782 38.487 0.001 0.000 1.267 202 N HN 0.130 nan 8.380 nan 0.000 0.510 203 P HA 0.328 nan 4.420 nan 0.000 0.272 203 P C -1.016 176.340 177.300 0.094 0.000 1.230 203 P CA -0.278 62.902 63.100 0.133 0.000 0.788 203 P CB 1.454 33.194 31.700 0.067 0.000 0.949 204 A N 2.304 125.100 122.820 -0.039 0.000 2.486 204 A HA 0.723 5.043 4.320 0.000 0.000 0.300 204 A C -0.821 176.720 177.584 -0.071 0.000 1.048 204 A CA -0.772 51.150 52.037 -0.191 0.000 0.696 204 A CB 1.104 19.782 19.000 -0.536 0.000 1.278 204 A HN 0.429 nan 8.150 nan 0.000 0.405 205 I N 1.648 122.184 120.570 -0.057 0.000 2.433 205 I HA 0.509 4.680 4.170 0.000 0.000 0.292 205 I C -0.928 175.187 176.117 -0.004 0.000 1.001 205 I CA -0.997 60.276 61.300 -0.045 0.000 1.119 205 I CB 2.125 40.062 38.000 -0.106 0.000 1.289 205 I HN 0.315 nan 8.210 nan 0.000 0.438 206 V N 7.110 127.035 119.914 0.018 0.000 2.444 206 V HA 0.463 4.583 4.120 0.000 0.000 0.294 206 V C -0.164 175.948 176.094 0.029 0.000 1.022 206 V CA -0.512 61.809 62.300 0.036 0.000 0.850 206 V CB 1.812 33.672 31.823 0.061 0.000 0.992 206 V HN 0.473 nan 8.190 nan 0.000 0.426 207 L N 4.049 125.278 121.223 0.011 0.000 2.325 207 L HA 0.867 5.207 4.340 0.000 0.000 0.278 207 L C 0.771 177.677 176.870 0.059 0.000 1.023 207 L CA -0.292 54.571 54.840 0.038 0.000 0.811 207 L CB 1.859 43.944 42.059 0.043 0.000 1.249 207 L HN 0.745 nan 8.230 nan 0.000 0.431 208 G N 0.927 109.771 108.800 0.074 0.000 2.667 208 G HA2 0.499 4.459 3.960 0.000 0.000 0.310 208 G HA3 0.499 4.459 3.960 0.000 0.000 0.310 208 G C -1.980 172.983 174.900 0.105 0.000 1.259 208 G CA -1.017 44.132 45.100 0.082 0.000 1.019 208 G HN 0.421 nan 8.290 nan 0.000 0.496 209 P HA -0.126 nan 4.420 nan 0.000 0.216 209 P C 0.663 178.041 177.300 0.129 0.000 1.150 209 P CA 1.177 64.359 63.100 0.135 0.000 0.843 209 P CB 0.245 32.023 31.700 0.130 0.000 0.787 210 D N -0.359 120.118 120.400 0.128 0.000 2.309 210 D HA -0.076 4.564 4.640 0.000 0.000 0.212 210 D C 2.029 178.378 176.300 0.082 0.000 0.968 210 D CA 0.653 54.721 54.000 0.114 0.000 0.882 210 D CB -0.278 40.584 40.800 0.104 0.000 0.918 210 D HN 0.096 nan 8.370 nan 0.000 0.503 211 V N 1.049 121.015 119.914 0.086 0.000 2.270 211 V HA -0.228 3.892 4.120 0.000 0.000 0.245 211 V C 2.206 178.348 176.094 0.079 0.000 1.043 211 V CA 1.836 64.184 62.300 0.079 0.000 1.014 211 V CB -0.355 31.525 31.823 0.095 0.000 0.645 211 V HN 0.068 nan 8.190 nan 0.000 0.447 212 D N 0.096 120.551 120.400 0.091 0.000 2.144 212 D HA -0.121 4.519 4.640 0.000 0.000 0.199 212 D C 2.093 178.442 176.300 0.082 0.000 0.984 212 D CA 1.388 55.435 54.000 0.079 0.000 0.834 212 D CB -0.121 40.725 40.800 0.076 0.000 0.955 212 D HN 0.360 nan 8.370 nan 0.000 0.465 213 A N 0.328 123.206 122.820 0.096 0.000 1.902 213 A HA 0.035 4.355 4.320 0.000 0.000 0.217 213 A C 2.242 179.864 177.584 0.064 0.000 1.181 213 A CA 1.952 54.046 52.037 0.095 0.000 0.623 213 A CB -0.820 18.243 19.000 0.104 0.000 0.818 213 A HN 0.307 nan 8.150 nan 0.000 0.443 214 A N -1.289 121.562 122.820 0.052 0.000 2.251 214 A HA 0.250 4.570 4.320 0.000 0.000 0.209 214 A C 0.922 178.526 177.584 0.034 0.000 1.187 214 A CA 0.832 52.890 52.037 0.036 0.000 0.823 214 A CB -0.624 18.392 19.000 0.027 0.000 0.846 214 A HN 0.840 nan 8.150 nan 0.000 0.486 215 N N -2.196 116.528 118.700 0.040 0.000 2.740 215 N HA -0.226 4.514 4.740 0.000 0.000 0.248 215 N C 0.410 175.936 175.510 0.026 0.000 1.062 215 N CA 1.024 54.092 53.050 0.031 0.000 0.704 215 N CB -1.349 37.151 38.487 0.023 0.000 0.968 215 N HN 0.548 nan 8.380 nan 0.000 0.547 216 A N -0.641 122.201 122.820 0.036 0.000 2.345 216 A HA 0.213 4.533 4.320 0.000 0.000 0.225 216 A C 1.645 179.256 177.584 0.046 0.000 1.243 216 A CA 0.448 52.507 52.037 0.037 0.000 0.875 216 A CB -0.072 18.954 19.000 0.042 0.000 0.929 216 A HN 0.534 nan 8.150 nan 0.000 0.502 217 N N 1.917 120.640 118.700 0.038 0.000 2.018 217 N HA -0.222 4.518 4.740 0.000 0.000 0.196 217 N C 1.895 177.394 175.510 -0.018 0.000 1.043 217 N CA 2.068 55.135 53.050 0.027 0.000 0.856 217 N CB -0.532 37.945 38.487 -0.017 0.000 1.042 217 N HN 0.452 nan 8.380 nan 0.000 0.423 218 A N 1.197 123.995 122.820 -0.036 0.000 1.873 218 A HA -0.219 4.101 4.320 0.000 0.000 0.218 218 A C 1.789 179.366 177.584 -0.012 0.000 1.193 218 A CA 2.055 54.064 52.037 -0.047 0.000 0.629 218 A CB -0.831 18.151 19.000 -0.031 0.000 0.826 218 A HN 0.207 nan 8.150 nan 0.000 0.447 219 D N -0.643 119.766 120.400 0.014 0.000 2.149 219 D HA -0.129 4.511 4.640 0.000 0.000 0.198 219 D C 2.004 178.339 176.300 0.059 0.000 0.990 219 D CA 1.395 55.413 54.000 0.031 0.000 0.839 219 D CB -0.555 40.263 40.800 0.029 0.000 0.948 219 D HN 0.467 nan 8.370 nan 0.000 0.460 220 C N 0.048 119.403 119.300 0.092 0.000 2.440 220 C HA -0.034 4.426 4.460 0.000 0.000 0.278 220 C C 2.912 178.065 174.990 0.271 0.000 1.295 220 C CA -0.022 59.097 59.018 0.169 0.000 1.738 220 C CB -0.704 27.174 27.740 0.230 0.000 1.987 220 C HN 0.169 nan 8.230 nan 0.000 0.492 221 V N 1.035 121.043 119.914 0.156 0.000 2.295 221 V HA -0.316 3.805 4.120 0.000 0.000 0.246 221 V C 2.392 178.531 176.094 0.075 0.000 1.049 221 V CA 2.462 64.765 62.300 0.004 0.000 1.024 221 V CB -0.674 30.980 31.823 -0.282 0.000 0.648 221 V HN 0.627 nan 8.190 nan 0.000 0.447 222 M N -0.293 119.341 119.600 0.056 0.000 2.065 222 M HA -0.201 4.279 4.480 0.000 0.000 0.259 222 M C 2.070 178.413 176.300 0.071 0.000 1.069 222 M CA 2.152 57.489 55.300 0.061 0.000 1.110 222 M CB -0.437 32.187 32.600 0.040 0.000 1.328 222 M HN 0.288 nan 8.290 nan 0.000 0.405 223 L N 0.882 122.146 121.223 0.069 0.000 2.043 223 L HA -0.155 4.185 4.340 0.000 0.000 0.212 223 L C 2.436 179.340 176.870 0.058 0.000 1.075 223 L CA 2.434 57.308 54.840 0.057 0.000 0.752 223 L CB -1.186 40.903 42.059 0.051 0.000 0.891 223 L HN 0.439 nan 8.230 nan 0.000 0.432 224 A N -1.013 121.853 122.820 0.077 0.000 1.930 224 A HA -0.200 4.120 4.320 0.000 0.000 0.217 224 A C 2.134 179.770 177.584 0.087 0.000 1.175 224 A CA 1.718 53.786 52.037 0.053 0.000 0.627 224 A CB -0.570 18.456 19.000 0.042 0.000 0.815 224 A HN 0.647 nan 8.150 nan 0.000 0.443 225 E N -0.521 119.753 120.200 0.123 0.000 2.107 225 E HA -0.140 4.210 4.350 0.000 0.000 0.191 225 E C 2.264 178.916 176.600 0.087 0.000 0.982 225 E CA 0.693 57.176 56.400 0.138 0.000 0.809 225 E CB -0.140 29.657 29.700 0.163 0.000 0.756 225 E HN 0.416 nan 8.360 nan 0.000 0.459 226 R N 0.772 121.312 120.500 0.068 0.000 2.073 226 R HA -0.068 4.272 4.340 0.000 0.000 0.234 226 R C 2.343 178.670 176.300 0.045 0.000 1.134 226 R CA 0.949 57.079 56.100 0.049 0.000 0.952 226 R CB -0.755 29.569 30.300 0.041 0.000 0.850 226 R HN 0.247 nan 8.270 nan 0.000 0.433 227 L N 1.485 122.734 121.223 0.044 0.000 2.552 227 L HA 0.034 4.374 4.340 0.000 0.000 0.227 227 L C 0.154 177.050 176.870 0.044 0.000 1.146 227 L CA 0.171 55.034 54.840 0.039 0.000 0.858 227 L CB -0.226 41.852 42.059 0.031 0.000 0.969 227 L HN 0.061 nan 8.230 nan 0.000 0.451 228 K N -0.196 120.236 120.400 0.053 0.000 3.077 228 K HA -0.184 4.136 4.320 0.000 0.000 0.264 228 K C 0.007 176.637 176.600 0.051 0.000 1.008 228 K CA 0.879 57.201 56.287 0.058 0.000 0.740 228 K CB -1.909 30.620 32.500 0.050 0.000 1.273 228 K HN 0.369 nan 8.250 nan 0.000 0.477 229 A N 0.924 123.764 122.820 0.034 0.000 2.337 229 A HA 0.733 5.053 4.320 0.000 0.000 0.331 229 A C -2.207 175.343 177.584 -0.057 0.000 1.137 229 A CA -1.465 50.576 52.037 0.006 0.000 0.807 229 A CB 1.188 20.185 19.000 -0.005 0.000 1.250 229 A HN -0.010 nan 8.150 nan 0.000 0.468 230 P HA 0.347 nan 4.420 nan 0.000 0.275 230 P C -0.846 176.231 177.300 -0.371 0.000 1.228 230 P CA -0.042 62.907 63.100 -0.253 0.000 0.786 230 P CB 1.160 32.711 31.700 -0.248 0.000 0.927 231 V N 2.929 122.502 119.914 -0.568 0.000 2.487 231 V HA 0.369 4.489 4.120 0.000 0.000 0.298 231 V C -0.568 175.101 176.094 -0.709 0.000 1.028 231 V CA -0.275 61.667 62.300 -0.596 0.000 0.860 231 V CB 1.238 32.488 31.823 -0.955 0.000 0.991 231 V HN 0.593 nan 8.190 nan 0.000 0.427 232 W N 2.614 123.676 121.300 -0.397 0.000 2.719 232 W HA 0.758 5.418 4.660 0.000 0.000 0.352 232 W C -0.555 175.782 176.519 -0.304 0.000 1.085 232 W CA -0.910 56.176 57.345 -0.432 0.000 1.187 232 W CB 1.527 30.749 29.460 -0.396 0.000 1.417 232 W HN 0.276 nan 8.180 nan 0.000 0.557 233 V N 2.835 122.703 119.914 -0.076 0.000 2.427 233 V HA 0.592 4.713 4.120 0.000 0.000 0.286 233 V C 0.554 176.537 176.094 -0.185 0.000 1.034 233 V CA -1.270 60.962 62.300 -0.112 0.000 0.893 233 V CB 0.475 32.125 31.823 -0.289 0.000 0.982 233 V HN 0.694 nan 8.190 nan 0.000 0.452 234 A N 8.375 131.127 122.820 -0.115 0.000 2.520 234 A HA 0.372 4.692 4.320 0.000 0.000 0.235 234 A C -1.813 175.657 177.584 -0.190 0.000 1.065 234 A CA -0.659 51.293 52.037 -0.141 0.000 0.764 234 A CB -0.418 18.585 19.000 0.005 0.000 1.002 234 A HN 0.706 nan 8.150 nan 0.000 0.502 235 P HA 0.039 nan 4.420 nan 0.000 0.268 235 P C 0.019 177.272 177.300 -0.078 0.000 1.208 235 P CA 0.699 63.691 63.100 -0.180 0.000 0.777 235 P CB 0.515 32.118 31.700 -0.161 0.000 0.875 236 S N -1.376 114.289 115.700 -0.059 0.000 3.587 236 S HA -0.179 4.291 4.470 0.000 0.000 0.337 236 S C 0.666 175.323 174.600 0.095 0.000 1.119 236 S CA 0.702 58.926 58.200 0.041 0.000 0.976 236 S CB -2.183 61.095 63.200 0.131 0.000 0.922 236 S HN 0.972 nan 8.310 nan 0.000 0.503 237 A N 0.776 123.606 122.820 0.017 0.000 2.563 237 A HA 0.308 4.629 4.320 0.000 0.000 0.256 237 A C -0.611 177.238 177.584 0.440 0.000 1.056 237 A CA -0.183 51.957 52.037 0.172 0.000 0.775 237 A CB 0.077 19.130 19.000 0.089 0.000 0.973 237 A HN 0.320 nan 8.150 nan 0.000 0.516 238 P HA 0.076 nan 4.420 nan 0.000 0.235 238 P C 0.193 177.721 177.300 0.380 0.000 1.177 238 P CA 0.781 64.109 63.100 0.379 0.000 0.785 238 P CB 0.366 32.178 31.700 0.186 0.000 0.885 239 R N -2.678 118.059 120.500 0.395 0.000 2.781 239 R HA 0.543 4.884 4.340 0.000 0.000 0.269 239 R C -1.448 175.110 176.300 0.429 0.000 1.025 239 R CA -0.803 55.476 56.100 0.299 0.000 0.914 239 R CB 1.051 31.416 30.300 0.108 0.000 1.236 239 R HN -0.152 nan 8.270 nan 0.000 0.465 240 C N 2.959 122.430 119.300 0.285 0.000 2.264 240 C HA 0.525 4.985 4.460 0.000 0.000 0.324 240 C C -1.685 173.409 174.990 0.173 0.000 1.267 240 C CA -1.875 57.325 59.018 0.303 0.000 1.618 240 C CB 0.668 28.432 27.740 0.040 0.000 2.278 240 C HN 0.630 nan 8.230 nan 0.000 0.499 241 P HA 0.222 nan 4.420 nan 0.000 0.268 241 P C -0.331 177.117 177.300 0.248 0.000 1.329 241 P CA 0.231 63.440 63.100 0.181 0.000 0.899 241 P CB 0.127 31.934 31.700 0.179 0.000 1.378 242 F N 1.757 121.679 119.950 -0.046 0.000 2.665 242 F HA 0.448 4.975 4.527 0.000 0.000 0.308 242 F C -2.606 173.021 175.800 -0.289 0.000 1.112 242 F CA -2.307 55.612 58.000 -0.134 0.000 0.972 242 F CB 2.147 41.100 39.000 -0.077 0.000 1.295 242 F HN -0.333 nan 8.300 nan 0.000 0.440 243 P HA 0.069 nan 4.420 nan 0.000 0.266 243 P C 0.471 177.528 177.300 -0.406 0.000 1.215 243 P CA 0.163 63.047 63.100 -0.359 0.000 0.763 243 P CB 0.741 32.249 31.700 -0.319 0.000 0.806 244 T N 0.874 115.123 114.554 -0.508 0.000 3.139 244 T HA -0.058 4.292 4.350 0.000 0.000 0.267 244 T C 1.138 175.771 174.700 -0.113 0.000 1.164 244 T CA 0.686 62.369 62.100 -0.696 0.000 1.075 244 T CB -0.344 68.311 68.868 -0.354 0.000 0.904 244 T HN 0.238 nan 8.240 nan 0.000 0.540 245 R N 0.212 120.686 120.500 -0.043 0.000 2.508 245 R HA 0.207 4.547 4.340 0.000 0.000 0.300 245 R C 0.272 176.629 176.300 0.094 0.000 0.970 245 R CA -0.352 55.782 56.100 0.056 0.000 1.102 245 R CB -0.330 29.971 30.300 0.002 0.000 1.246 245 R HN 0.595 nan 8.270 nan 0.000 0.539 246 H N 3.402 122.492 119.070 0.033 0.000 2.815 246 H HA 0.060 4.616 4.556 0.000 0.000 0.350 246 H C -1.378 174.036 175.328 0.143 0.000 1.080 246 H CA -1.186 54.898 56.048 0.060 0.000 1.433 246 H CB 1.576 31.357 29.762 0.033 0.000 1.432 246 H HN -0.128 nan 8.280 nan 0.000 0.592 247 P HA -0.174 nan 4.420 nan 0.000 0.217 247 P C 1.388 178.830 177.300 0.237 0.000 1.148 247 P CA 1.232 64.366 63.100 0.057 0.000 0.834 247 P CB -0.057 31.588 31.700 -0.092 0.000 0.783 248 C N -2.244 117.411 119.300 0.592 0.000 2.464 248 C HA 0.122 4.582 4.460 0.000 0.000 0.278 248 C C 1.495 176.522 174.990 0.063 0.000 1.375 248 C CA -0.616 58.562 59.018 0.266 0.000 1.761 248 C CB -1.877 25.990 27.740 0.213 0.000 1.944 248 C HN 0.109 nan 8.230 nan 0.000 0.509 249 F N 2.280 122.275 119.950 0.074 0.000 2.623 249 F HA 0.078 4.605 4.527 0.000 0.000 0.383 249 F C 1.293 176.909 175.800 -0.308 0.000 1.077 249 F CA 0.585 58.515 58.000 -0.116 0.000 1.268 249 F CB 0.458 39.533 39.000 0.125 0.000 1.053 249 F HN 0.049 nan 8.300 nan 0.000 0.571 250 R N 3.844 123.578 120.500 -1.277 0.000 2.565 250 R HA 0.303 4.643 4.340 0.000 0.000 0.347 250 R C 0.617 176.134 176.300 -1.304 0.000 1.010 250 R CA 0.348 55.623 56.100 -1.376 0.000 1.126 250 R CB -0.004 28.970 30.300 -2.210 0.000 1.331 250 R HN 0.972 nan 8.270 nan 0.000 0.552 251 G N 1.335 109.026 108.800 -1.848 0.000 2.698 251 G HA2 -0.282 3.678 3.960 0.000 0.000 0.225 251 G HA3 -0.282 3.678 3.960 0.000 0.000 0.225 251 G C -0.898 173.631 174.900 -0.618 0.000 1.345 251 G CA -0.485 43.985 45.100 -1.049 0.000 0.871 251 G HN 0.200 nan 8.290 nan 0.000 0.540 252 L N 0.725 121.653 121.223 -0.492 0.000 2.319 252 L HA 0.694 5.034 4.340 0.000 0.000 0.280 252 L C 1.075 177.747 176.870 -0.331 0.000 1.099 252 L CA -0.206 54.262 54.840 -0.620 0.000 0.828 252 L CB 0.552 41.980 42.059 -1.051 0.000 1.150 252 L HN 0.600 nan 8.230 nan 0.000 0.442 253 M N 7.886 127.308 119.600 -0.297 0.000 2.228 253 M HA 0.275 4.755 4.480 0.000 0.000 0.351 253 M C -1.989 174.145 176.300 -0.276 0.000 1.233 253 M CA -1.529 53.585 55.300 -0.309 0.000 1.129 253 M CB 0.485 32.815 32.600 -0.450 0.000 1.604 253 M HN 0.490 nan 8.290 nan 0.000 0.457 254 P HA 0.088 nan 4.420 nan 0.000 0.271 254 P C -0.694 176.551 177.300 -0.091 0.000 1.216 254 P CA -0.194 62.815 63.100 -0.152 0.000 0.776 254 P CB 0.553 32.177 31.700 -0.127 0.000 0.881 255 A N 2.929 125.746 122.820 -0.004 0.000 2.900 255 A HA 0.433 4.753 4.320 0.000 0.000 0.246 255 A C 0.917 178.657 177.584 0.260 0.000 1.725 255 A CA 0.116 52.239 52.037 0.143 0.000 1.400 255 A CB -1.416 17.723 19.000 0.231 0.000 0.973 255 A HN 0.642 nan 8.150 nan 0.000 0.635 256 G N -0.797 108.112 108.800 0.182 0.000 2.591 256 G HA2 0.490 4.450 3.960 0.000 0.000 0.306 256 G HA3 0.490 4.450 3.960 0.000 0.000 0.306 256 G C 0.642 175.540 174.900 -0.003 0.000 1.334 256 G CA -0.648 44.496 45.100 0.074 0.000 0.981 256 G HN 0.175 nan 8.290 nan 0.000 0.491 257 I N 1.588 121.938 120.570 -0.366 0.000 2.099 257 I HA -0.254 3.917 4.170 0.000 0.000 0.239 257 I C 3.094 179.107 176.117 -0.174 0.000 1.066 257 I CA 1.866 62.895 61.300 -0.453 0.000 1.324 257 I CB -0.146 37.468 38.000 -0.644 0.000 1.037 257 I HN 0.559 nan 8.210 nan 0.000 0.401 258 A N 0.727 123.421 122.820 -0.210 0.000 1.877 258 A HA -0.200 4.120 4.320 0.000 0.000 0.216 258 A C 2.557 180.067 177.584 -0.122 0.000 1.186 258 A CA 2.028 53.969 52.037 -0.159 0.000 0.620 258 A CB -1.027 17.870 19.000 -0.172 0.000 0.822 258 A HN 0.462 nan 8.150 nan 0.000 0.443 259 A N -0.126 122.622 122.820 -0.120 0.000 1.917 259 A HA -0.170 4.150 4.320 0.000 0.000 0.219 259 A C 2.152 179.629 177.584 -0.179 0.000 1.182 259 A CA 1.784 53.744 52.037 -0.130 0.000 0.633 259 A CB -0.643 18.288 19.000 -0.115 0.000 0.819 259 A HN 0.531 nan 8.150 nan 0.000 0.448 260 I N 0.395 120.867 120.570 -0.163 0.000 2.286 260 I HA -0.206 3.965 4.170 0.000 0.000 0.245 260 I C 2.822 178.823 176.117 -0.192 0.000 1.104 260 I CA 1.461 62.607 61.300 -0.258 0.000 1.397 260 I CB -0.286 37.563 38.000 -0.251 0.000 1.072 260 I HN 0.522 nan 8.210 nan 0.000 0.417 261 S N 0.175 115.832 115.700 -0.072 0.000 2.423 261 S HA -0.246 4.224 4.470 0.000 0.000 0.231 261 S C 1.901 176.461 174.600 -0.067 0.000 1.014 261 S CA 0.993 59.176 58.200 -0.029 0.000 0.965 261 S CB -0.317 62.886 63.200 0.005 0.000 0.785 261 S HN 0.345 nan 8.310 nan 0.000 0.495 262 Q N 1.080 120.819 119.800 -0.101 0.000 2.046 262 Q HA 0.101 4.441 4.340 0.000 0.000 0.200 262 Q C 1.975 177.909 176.000 -0.112 0.000 0.975 262 Q CA 1.206 56.953 55.803 -0.093 0.000 0.836 262 Q CB -0.807 27.872 28.738 -0.098 0.000 0.896 262 Q HN 0.458 nan 8.270 nan 0.000 0.428 263 L N -0.168 120.928 121.223 -0.212 0.000 2.042 263 L HA -0.128 4.213 4.340 0.000 0.000 0.210 263 L C 1.984 178.738 176.870 -0.193 0.000 1.076 263 L CA 1.636 56.285 54.840 -0.319 0.000 0.749 263 L CB -0.579 41.038 42.059 -0.736 0.000 0.893 263 L HN 0.313 nan 8.230 nan 0.000 0.432 264 L N -1.070 120.048 121.223 -0.176 0.000 2.554 264 L HA -0.016 4.324 4.340 0.000 0.000 0.226 264 L C 1.009 177.956 176.870 0.128 0.000 1.137 264 L CA -0.175 54.662 54.840 -0.005 0.000 0.863 264 L CB -0.402 41.621 42.059 -0.060 0.000 0.985 264 L HN 0.259 nan 8.230 nan 0.000 0.451 265 E N 0.544 120.769 120.200 0.042 0.000 2.452 265 E HA 0.118 4.468 4.350 0.000 0.000 0.261 265 E C 1.120 177.709 176.600 -0.017 0.000 0.987 265 E CA 0.850 57.260 56.400 0.017 0.000 0.926 265 E CB 0.406 30.098 29.700 -0.014 0.000 0.934 265 E HN 0.296 nan 8.360 nan 0.000 0.452 266 G N 4.119 112.888 108.800 -0.052 0.000 2.234 266 G HA2 -0.216 3.744 3.960 0.000 0.000 0.235 266 G HA3 -0.216 3.744 3.960 0.000 0.000 0.235 266 G C -0.109 174.651 174.900 -0.234 0.000 0.997 266 G CA 0.020 45.027 45.100 -0.154 0.000 0.623 266 G HN 0.709 nan 8.290 nan 0.000 0.514 267 H N 1.914 120.994 119.070 0.016 0.000 2.594 267 H HA 0.263 4.819 4.556 0.000 0.000 0.304 267 H C 1.195 176.535 175.328 0.020 0.000 1.068 267 H CA 0.274 56.337 56.048 0.025 0.000 1.308 267 H CB 1.440 31.223 29.762 0.036 0.000 1.409 267 H HN 0.477 nan 8.280 nan 0.000 0.460 268 D N 2.446 122.907 120.400 0.102 0.000 2.144 268 D HA -0.086 4.554 4.640 0.000 0.000 0.200 268 D C 0.476 176.820 176.300 0.072 0.000 0.978 268 D CA 0.586 54.626 54.000 0.066 0.000 0.833 268 D CB 0.369 41.194 40.800 0.041 0.000 0.961 268 D HN 0.110 nan 8.370 nan 0.000 0.470 269 V N 1.103 121.071 119.914 0.089 0.000 2.525 269 V HA 0.299 4.419 4.120 0.000 0.000 0.299 269 V C -0.497 175.636 176.094 0.064 0.000 1.034 269 V CA -0.985 61.354 62.300 0.064 0.000 0.863 269 V CB 2.501 34.352 31.823 0.047 0.000 0.999 269 V HN -0.071 nan 8.190 nan 0.000 0.423 270 V N 6.043 125.987 119.914 0.050 0.000 2.357 270 V HA 0.456 4.576 4.120 0.000 0.000 0.284 270 V C -0.402 175.709 176.094 0.028 0.000 1.018 270 V CA -0.570 61.751 62.300 0.035 0.000 0.841 270 V CB 1.627 33.481 31.823 0.051 0.000 0.991 270 V HN 0.658 nan 8.190 nan 0.000 0.437 271 L N 7.430 128.664 121.223 0.018 0.000 2.265 271 L HA 0.624 4.964 4.340 0.000 0.000 0.289 271 L C -0.359 176.524 176.870 0.022 0.000 1.033 271 L CA 0.206 55.054 54.840 0.014 0.000 0.814 271 L CB 1.447 43.510 42.059 0.007 0.000 1.203 271 L HN 0.440 nan 8.230 nan 0.000 0.423 272 V N 6.903 126.831 119.914 0.024 0.000 2.398 272 V HA 0.503 4.623 4.120 0.000 0.000 0.286 272 V C 0.120 176.226 176.094 0.019 0.000 1.026 272 V CA -0.422 61.904 62.300 0.043 0.000 0.868 272 V CB 1.450 33.303 31.823 0.050 0.000 0.982 272 V HN 0.602 nan 8.190 nan 0.000 0.443 273 I N 3.227 123.815 120.570 0.030 0.000 2.466 273 I HA 0.582 4.752 4.170 0.000 0.000 0.289 273 I C 1.006 177.146 176.117 0.038 0.000 1.026 273 I CA -0.580 60.735 61.300 0.025 0.000 1.078 273 I CB 1.839 39.855 38.000 0.027 0.000 1.249 273 I HN 0.828 nan 8.210 nan 0.000 0.429 274 G N 4.541 113.359 108.800 0.031 0.000 2.323 274 G HA2 -0.022 3.938 3.960 0.000 0.000 0.292 274 G HA3 -0.022 3.938 3.960 0.000 0.000 0.292 274 G C -0.060 174.881 174.900 0.067 0.000 1.040 274 G CA 0.441 45.569 45.100 0.047 0.000 0.942 274 G HN 1.083 nan 8.290 nan 0.000 0.506 275 A N -0.888 121.964 122.820 0.053 0.000 2.572 275 A HA 0.926 5.247 4.320 0.000 0.000 0.295 275 A C -2.941 174.655 177.584 0.020 0.000 1.072 275 A CA -1.344 50.728 52.037 0.058 0.000 0.691 275 A CB 1.766 20.816 19.000 0.083 0.000 1.291 275 A HN 0.100 nan 8.150 nan 0.000 0.404 276 P HA 0.405 nan 4.420 nan 0.000 0.277 276 P C -0.777 176.444 177.300 -0.133 0.000 1.240 276 P CA -0.253 62.818 63.100 -0.049 0.000 0.798 276 P CB 1.042 32.724 31.700 -0.029 0.000 0.979 277 V N 3.820 123.546 119.914 -0.314 0.000 2.259 277 V HA 0.395 4.515 4.120 0.000 0.000 0.267 277 V C -0.446 175.299 176.094 -0.582 0.000 1.051 277 V CA 0.052 61.875 62.300 -0.795 0.000 0.830 277 V CB -1.167 30.158 31.823 -0.831 0.000 1.080 277 V HN 0.460 nan 8.190 nan 0.000 0.467 278 F N 2.037 121.734 119.950 -0.422 0.000 2.599 278 F HA 0.561 5.088 4.527 0.000 0.000 0.311 278 F C 0.466 175.893 175.800 -0.621 0.000 1.076 278 F CA -1.295 56.359 58.000 -0.576 0.000 0.937 278 F CB 2.196 40.681 39.000 -0.858 0.000 1.282 278 F HN 0.157 nan 8.300 nan 0.000 0.460 279 R N 2.437 122.857 120.500 -0.133 0.000 3.688 279 R HA 0.195 4.535 4.340 0.000 0.000 0.194 279 R C -1.247 175.044 176.300 -0.015 0.000 1.677 279 R CA 0.014 56.080 56.100 -0.058 0.000 1.351 279 R CB -1.133 29.171 30.300 0.006 0.000 1.338 279 R HN 0.437 nan 8.270 nan 0.000 0.731 280 Y N 0.506 120.911 120.300 0.175 0.000 2.335 280 Y HA 0.001 4.551 4.550 0.000 0.000 0.348 280 Y C 1.580 177.618 175.900 0.229 0.000 1.280 280 Y CA 0.228 58.439 58.100 0.186 0.000 1.504 280 Y CB 0.426 39.008 38.460 0.202 0.000 1.366 280 Y HN 0.485 nan 8.280 nan 0.000 0.621 281 H N -0.428 118.845 119.070 0.338 0.000 2.809 281 H HA 0.070 4.627 4.556 0.000 0.000 0.150 281 H C -0.097 175.437 175.328 0.343 0.000 1.073 281 H CA 0.420 56.647 56.048 0.299 0.000 1.099 281 H CB -0.026 29.908 29.762 0.287 0.000 1.078 281 H HN 0.673 nan 8.280 nan 0.000 0.337 282 Q N 1.151 121.254 119.800 0.505 0.000 2.454 282 Q HA -0.042 4.299 4.340 0.000 0.000 0.247 282 Q C -0.801 175.408 176.000 0.348 0.000 1.028 282 Q CA -0.230 55.832 55.803 0.431 0.000 0.910 282 Q CB 0.489 29.389 28.738 0.271 0.000 1.276 282 Q HN 0.456 nan 8.270 nan 0.000 0.489 283 Y N 1.604 122.007 120.300 0.172 0.000 2.539 283 Y HA 0.178 4.729 4.550 0.000 0.000 0.352 283 Y C -0.931 174.981 175.900 0.019 0.000 1.004 283 Y CA -0.770 57.376 58.100 0.076 0.000 1.278 283 Y CB 0.378 38.876 38.460 0.064 0.000 1.136 283 Y HN 0.727 nan 8.280 nan 0.000 0.528 284 D N 8.984 129.177 120.400 -0.346 0.000 2.502 284 D HA 0.265 4.905 4.640 0.000 0.000 0.301 284 D C -2.890 173.107 176.300 -0.505 0.000 1.202 284 D CA -2.194 51.592 54.000 -0.357 0.000 0.878 284 D CB 0.650 41.349 40.800 -0.168 0.000 1.062 284 D HN 0.248 nan 8.370 nan 0.000 0.499 285 P HA 0.329 nan 4.420 nan 0.000 0.265 285 P C 0.429 177.506 177.300 -0.371 0.000 1.187 285 P CA 0.384 63.118 63.100 -0.611 0.000 0.766 285 P CB 1.494 32.805 31.700 -0.648 0.000 0.820 286 G N 1.789 110.387 108.800 -0.338 0.000 2.399 286 G HA2 0.103 4.063 3.960 0.000 0.000 0.256 286 G HA3 0.103 4.063 3.960 0.000 0.000 0.256 286 G C -1.626 173.101 174.900 -0.289 0.000 1.236 286 G CA -0.662 44.285 45.100 -0.256 0.000 0.914 286 G HN 0.470 nan 8.290 nan 0.000 0.482 287 Q N -0.537 119.141 119.800 -0.203 0.000 2.259 287 Q HA 0.444 4.784 4.340 0.000 0.000 0.249 287 Q C 0.294 176.221 176.000 -0.121 0.000 0.914 287 Q CA -0.509 55.193 55.803 -0.167 0.000 0.904 287 Q CB 1.707 30.403 28.738 -0.070 0.000 1.213 287 Q HN 0.566 nan 8.270 nan 0.000 0.428 288 Y N 1.116 121.421 120.300 0.007 0.000 2.242 288 Y HA -0.073 4.478 4.550 0.000 0.000 0.291 288 Y C 0.552 176.505 175.900 0.089 0.000 1.137 288 Y CA 0.528 58.669 58.100 0.068 0.000 1.181 288 Y CB 0.533 39.038 38.460 0.076 0.000 0.989 288 Y HN 0.371 nan 8.280 nan 0.000 0.527 289 L N 0.061 121.403 121.223 0.197 0.000 2.472 289 L HA 0.328 4.669 4.340 0.000 0.000 0.260 289 L C -0.854 176.054 176.870 0.065 0.000 0.963 289 L CA -1.245 53.670 54.840 0.125 0.000 0.829 289 L CB 1.969 44.101 42.059 0.122 0.000 1.348 289 L HN -0.258 nan 8.230 nan 0.000 0.408 290 K N 1.791 122.215 120.400 0.038 0.000 2.202 290 K HA 0.372 4.692 4.320 0.000 0.000 0.264 290 K C -2.376 174.237 176.600 0.022 0.000 1.010 290 K CA -1.703 54.593 56.287 0.016 0.000 0.940 290 K CB 0.629 33.130 32.500 0.002 0.000 0.983 290 K HN 0.194 nan 8.250 nan 0.000 0.475 291 P HA -0.019 nan 4.420 nan 0.000 0.265 291 P C 0.635 177.942 177.300 0.012 0.000 1.187 291 P CA 0.856 63.964 63.100 0.013 0.000 0.766 291 P CB 0.418 32.121 31.700 0.005 0.000 0.820 292 G N 1.182 109.991 108.800 0.016 0.000 2.213 292 G HA2 -0.182 3.778 3.960 0.000 0.000 0.226 292 G HA3 -0.182 3.778 3.960 0.000 0.000 0.226 292 G C 0.198 175.114 174.900 0.027 0.000 0.992 292 G CA -0.048 45.061 45.100 0.015 0.000 0.632 292 G HN 0.618 nan 8.290 nan 0.000 0.511 293 T N 1.428 116.004 114.554 0.036 0.000 2.771 293 T HA 0.619 4.969 4.350 0.000 0.000 0.281 293 T C 0.016 174.745 174.700 0.048 0.000 0.982 293 T CA -0.346 61.786 62.100 0.053 0.000 0.978 293 T CB 1.874 70.782 68.868 0.067 0.000 0.930 293 T HN 0.529 nan 8.240 nan 0.000 0.447 294 R N 3.639 124.166 120.500 0.046 0.000 2.562 294 R HA 0.691 5.031 4.340 0.000 0.000 0.298 294 R C -1.484 174.835 176.300 0.032 0.000 0.961 294 R CA -0.766 55.354 56.100 0.032 0.000 0.881 294 R CB 1.104 31.419 30.300 0.025 0.000 1.159 294 R HN 0.590 nan 8.270 nan 0.000 0.450 295 L N 5.600 126.832 121.223 0.015 0.000 2.346 295 L HA 0.596 4.936 4.340 0.000 0.000 0.276 295 L C -1.316 175.542 176.870 -0.020 0.000 1.006 295 L CA -0.770 54.072 54.840 0.003 0.000 0.817 295 L CB 1.629 43.682 42.059 -0.009 0.000 1.272 295 L HN 0.669 nan 8.230 nan 0.000 0.421 296 I N 3.714 124.274 120.570 -0.017 0.000 2.447 296 I HA 0.317 4.487 4.170 0.000 0.000 0.287 296 I C -0.530 175.566 176.117 -0.036 0.000 1.023 296 I CA -0.320 60.965 61.300 -0.026 0.000 1.083 296 I CB 2.065 40.059 38.000 -0.011 0.000 1.245 296 I HN 0.517 nan 8.210 nan 0.000 0.434 297 S N 5.714 121.380 115.700 -0.056 0.000 2.454 297 S HA 0.633 5.103 4.470 0.000 0.000 0.306 297 S C -0.779 173.795 174.600 -0.044 0.000 1.100 297 S CA -0.478 57.684 58.200 -0.063 0.000 1.087 297 S CB 1.294 64.427 63.200 -0.111 0.000 1.019 297 S HN 0.325 nan 8.310 nan 0.000 0.480 298 V N 4.930 124.826 119.914 -0.029 0.000 2.313 298 V HA 0.544 4.664 4.120 0.000 0.000 0.278 298 V C 0.414 176.495 176.094 -0.022 0.000 1.017 298 V CA -0.458 61.829 62.300 -0.022 0.000 0.823 298 V CB 0.956 32.773 31.823 -0.010 0.000 1.010 298 V HN 0.935 nan 8.190 nan 0.000 0.443 299 T N 3.221 117.756 114.554 -0.031 0.000 2.916 299 T HA 0.286 4.636 4.350 0.000 0.000 0.292 299 T C 0.839 175.508 174.700 -0.051 0.000 1.055 299 T CA -0.115 61.966 62.100 -0.032 0.000 1.009 299 T CB 1.460 70.308 68.868 -0.033 0.000 1.118 299 T HN 0.818 nan 8.240 nan 0.000 0.497 300 C N 1.420 120.672 119.300 -0.080 0.000 2.791 300 C HA 0.493 4.953 4.460 0.000 0.000 0.270 300 C C 0.370 175.258 174.990 -0.170 0.000 1.257 300 C CA -0.554 58.386 59.018 -0.129 0.000 1.699 300 C CB -1.231 26.402 27.740 -0.179 0.000 1.904 300 C HN 0.738 nan 8.230 nan 0.000 0.603 301 D N 1.153 121.477 120.400 -0.125 0.000 2.481 301 D HA 0.360 5.000 4.640 0.000 0.000 0.246 301 D C -1.959 174.317 176.300 -0.039 0.000 1.109 301 D CA -1.743 52.199 54.000 -0.098 0.000 0.845 301 D CB 2.206 42.987 40.800 -0.031 0.000 1.160 301 D HN -0.098 nan 8.370 nan 0.000 0.534 302 P HA -0.075 nan 4.420 nan 0.000 0.216 302 P C 1.763 179.066 177.300 0.005 0.000 1.150 302 P CA 0.798 63.890 63.100 -0.013 0.000 0.837 302 P CB 0.399 32.096 31.700 -0.005 0.000 0.786 303 L N -0.758 120.482 121.223 0.028 0.000 2.131 303 L HA -0.194 4.146 4.340 0.000 0.000 0.210 303 L C 2.346 179.239 176.870 0.037 0.000 1.092 303 L CA 1.542 56.416 54.840 0.057 0.000 0.759 303 L CB -0.717 41.412 42.059 0.116 0.000 0.903 303 L HN 0.078 nan 8.230 nan 0.000 0.435 304 E N -0.071 120.141 120.200 0.021 0.000 2.046 304 E HA -0.156 4.194 4.350 0.000 0.000 0.190 304 E C 2.325 178.901 176.600 -0.040 0.000 0.982 304 E CA 1.005 57.402 56.400 -0.004 0.000 0.800 304 E CB -0.092 29.611 29.700 0.005 0.000 0.756 304 E HN 0.461 nan 8.360 nan 0.000 0.449 305 A N 1.252 124.049 122.820 -0.038 0.000 1.972 305 A HA -0.122 4.199 4.320 0.000 0.000 0.219 305 A C 2.300 179.854 177.584 -0.049 0.000 1.169 305 A CA 1.673 53.678 52.037 -0.053 0.000 0.635 305 A CB -0.511 18.464 19.000 -0.042 0.000 0.810 305 A HN 0.302 nan 8.150 nan 0.000 0.446 306 A N 0.754 123.557 122.820 -0.028 0.000 1.897 306 A HA -0.121 4.200 4.320 0.000 0.000 0.215 306 A C 2.166 179.732 177.584 -0.030 0.000 1.181 306 A CA 1.471 53.495 52.037 -0.021 0.000 0.620 306 A CB -0.426 18.574 19.000 -0.000 0.000 0.821 306 A HN 0.692 nan 8.150 nan 0.000 0.443 307 R N -0.333 120.151 120.500 -0.028 0.000 2.299 307 R HA 0.417 4.757 4.340 0.000 0.000 0.197 307 R C 0.741 176.991 176.300 -0.083 0.000 0.971 307 R CA 0.560 56.640 56.100 -0.033 0.000 1.030 307 R CB -0.539 29.760 30.300 -0.002 0.000 0.932 307 R HN 0.269 nan 8.270 nan 0.000 0.477 308 A N 3.605 126.353 122.820 -0.120 0.000 2.545 308 A HA 0.131 4.451 4.320 0.000 0.000 0.253 308 A C -1.412 176.041 177.584 -0.219 0.000 1.074 308 A CA -1.138 50.778 52.037 -0.201 0.000 0.760 308 A CB 0.158 19.030 19.000 -0.213 0.000 1.005 308 A HN 0.299 nan 8.150 nan 0.000 0.506 309 P HA 0.029 nan 4.420 nan 0.000 0.245 309 P C -0.146 176.940 177.300 -0.357 0.000 1.212 309 P CA 0.769 63.619 63.100 -0.416 0.000 0.774 309 P CB -0.106 31.079 31.700 -0.858 0.000 0.999 310 M N -2.910 116.518 119.600 -0.287 0.000 2.833 310 M HA 0.584 5.065 4.480 0.000 0.000 0.270 310 M C -0.445 175.770 176.300 -0.141 0.000 1.209 310 M CA -0.076 55.125 55.300 -0.165 0.000 0.826 310 M CB 1.083 33.616 32.600 -0.112 0.000 1.657 310 M HN 0.036 nan 8.290 nan 0.000 0.492 311 G N 1.593 110.344 108.800 -0.081 0.000 2.829 311 G HA2 -0.062 3.898 3.960 0.000 0.000 0.628 311 G HA3 -0.062 3.898 3.960 0.000 0.000 0.628 311 G C -1.351 173.508 174.900 -0.067 0.000 1.412 311 G CA -0.111 44.947 45.100 -0.069 0.000 0.864 311 G HN 1.020 nan 8.290 nan 0.000 0.544 312 D N 0.037 120.406 120.400 -0.052 0.000 2.388 312 D HA 0.757 5.397 4.640 0.000 0.000 0.254 312 D C 0.665 176.932 176.300 -0.055 0.000 1.111 312 D CA 0.869 54.842 54.000 -0.045 0.000 0.993 312 D CB 1.657 42.440 40.800 -0.029 0.000 1.118 312 D HN 1.294 nan 8.370 nan 0.000 0.502 313 A N 0.386 123.177 122.820 -0.047 0.000 2.572 313 A HA 0.705 5.025 4.320 0.000 0.000 0.295 313 A C -1.270 176.292 177.584 -0.036 0.000 1.072 313 A CA -0.618 51.389 52.037 -0.049 0.000 0.691 313 A CB 1.248 20.211 19.000 -0.060 0.000 1.291 313 A HN 0.454 nan 8.150 nan 0.000 0.404 314 I N 1.519 122.069 120.570 -0.034 0.000 2.468 314 I HA 0.341 4.511 4.170 0.000 0.000 0.285 314 I C -0.929 175.170 176.117 -0.030 0.000 1.039 314 I CA -0.869 60.414 61.300 -0.027 0.000 1.074 314 I CB 2.133 40.120 38.000 -0.021 0.000 1.228 314 I HN 0.311 nan 8.210 nan 0.000 0.436 315 V N 5.944 125.840 119.914 -0.030 0.000 2.334 315 V HA 0.813 4.933 4.120 0.000 0.000 0.267 315 V C 0.385 176.458 176.094 -0.034 0.000 1.040 315 V CA -0.009 62.269 62.300 -0.035 0.000 0.866 315 V CB 0.528 32.330 31.823 -0.035 0.000 1.019 315 V HN 0.894 nan 8.190 nan 0.000 0.468 316 A N 3.738 126.536 122.820 -0.037 0.000 2.493 316 A HA 0.628 4.948 4.320 0.000 0.000 0.300 316 A C -1.162 176.400 177.584 -0.037 0.000 1.152 316 A CA -0.759 51.258 52.037 -0.032 0.000 0.643 316 A CB 0.964 19.951 19.000 -0.022 0.000 1.316 316 A HN 0.665 nan 8.150 nan 0.000 0.469 317 D N 0.202 120.584 120.400 -0.029 0.000 2.383 317 D HA 0.303 4.943 4.640 0.000 0.000 0.252 317 D C 1.118 177.408 176.300 -0.016 0.000 1.166 317 D CA -0.331 53.653 54.000 -0.027 0.000 0.879 317 D CB 0.338 41.129 40.800 -0.015 0.000 1.164 317 D HN 0.280 nan 8.370 nan 0.000 0.462 318 I N 3.772 124.332 120.570 -0.017 0.000 2.286 318 I HA -0.081 4.089 4.170 0.000 0.000 0.248 318 I C 2.231 178.353 176.117 0.009 0.000 1.115 318 I CA 1.125 62.424 61.300 -0.001 0.000 1.392 318 I CB -1.548 36.457 38.000 0.007 0.000 1.065 318 I HN 0.659 nan 8.210 nan 0.000 0.418 319 G N 0.687 109.492 108.800 0.009 0.000 2.414 319 G HA2 -0.170 3.791 3.960 0.000 0.000 0.215 319 G HA3 -0.170 3.791 3.960 0.000 0.000 0.215 319 G C 1.886 176.793 174.900 0.012 0.000 1.188 319 G CA 1.031 46.139 45.100 0.014 0.000 0.783 319 G HN 0.471 nan 8.290 nan 0.000 0.537 320 A N 0.475 123.299 122.820 0.007 0.000 1.883 320 A HA -0.044 4.276 4.320 0.000 0.000 0.217 320 A C 2.465 180.053 177.584 0.006 0.000 1.186 320 A CA 2.184 54.225 52.037 0.006 0.000 0.624 320 A CB -0.368 18.633 19.000 0.002 0.000 0.822 320 A HN 0.304 nan 8.150 nan 0.000 0.444 321 M N -0.585 119.017 119.600 0.004 0.000 2.099 321 M HA -0.085 4.395 4.480 0.000 0.000 0.262 321 M C 2.583 178.889 176.300 0.011 0.000 1.067 321 M CA 1.596 56.899 55.300 0.005 0.000 1.124 321 M CB -1.593 31.008 32.600 0.001 0.000 1.353 321 M HN 0.488 nan 8.290 nan 0.000 0.410 322 A N -0.323 122.507 122.820 0.016 0.000 1.883 322 A HA -0.195 4.126 4.320 0.000 0.000 0.217 322 A C 2.506 180.103 177.584 0.022 0.000 1.186 322 A CA 2.528 54.579 52.037 0.024 0.000 0.624 322 A CB -1.060 17.959 19.000 0.032 0.000 0.822 322 A HN 0.515 nan 8.150 nan 0.000 0.444 323 S N -0.456 115.255 115.700 0.018 0.000 2.343 323 S HA -0.065 4.405 4.470 0.000 0.000 0.219 323 S C 2.250 176.858 174.600 0.014 0.000 1.033 323 S CA 1.837 60.046 58.200 0.016 0.000 1.014 323 S CB -0.654 62.553 63.200 0.013 0.000 0.915 323 S HN 0.943 nan 8.310 nan 0.000 0.435 324 A N 1.655 124.482 122.820 0.011 0.000 1.892 324 A HA -0.066 4.255 4.320 0.000 0.000 0.218 324 A C 2.322 179.912 177.584 0.011 0.000 1.188 324 A CA 1.867 53.910 52.037 0.009 0.000 0.631 324 A CB -1.075 17.929 19.000 0.006 0.000 0.822 324 A HN 0.602 nan 8.150 nan 0.000 0.447 325 L N -0.983 120.247 121.223 0.013 0.000 2.017 325 L HA -0.207 4.133 4.340 0.000 0.000 0.208 325 L C 3.122 180.004 176.870 0.019 0.000 1.073 325 L CA 1.114 55.963 54.840 0.015 0.000 0.745 325 L CB -0.617 41.451 42.059 0.016 0.000 0.894 325 L HN 0.455 nan 8.230 nan 0.000 0.432 326 A N 0.195 123.028 122.820 0.022 0.000 1.978 326 A HA -0.195 4.125 4.320 0.000 0.000 0.220 326 A C 1.830 179.427 177.584 0.022 0.000 1.170 326 A CA 1.883 53.936 52.037 0.026 0.000 0.636 326 A CB -0.475 18.542 19.000 0.028 0.000 0.810 326 A HN 0.516 nan 8.150 nan 0.000 0.448 327 N N -0.893 117.817 118.700 0.017 0.000 2.336 327 N HA 0.187 4.927 4.740 0.000 0.000 0.189 327 N C 1.101 176.618 175.510 0.013 0.000 1.113 327 N CA 0.420 53.478 53.050 0.014 0.000 0.858 327 N CB 0.382 38.875 38.487 0.011 0.000 0.970 327 N HN 0.490 nan 8.380 nan 0.000 0.471 328 L N 0.202 121.433 121.223 0.014 0.000 2.577 328 L HA 0.186 4.526 4.340 0.000 0.000 0.225 328 L C 0.647 177.525 176.870 0.014 0.000 1.053 328 L CA 0.031 54.878 54.840 0.012 0.000 0.866 328 L CB 0.115 42.180 42.059 0.010 0.000 1.132 328 L HN -0.108 nan 8.230 nan 0.000 0.486 329 V N -0.743 119.180 119.914 0.016 0.000 2.872 329 V HA 0.075 4.196 4.120 0.000 0.000 0.307 329 V C 0.175 176.280 176.094 0.019 0.000 1.072 329 V CA -0.723 61.588 62.300 0.018 0.000 1.148 329 V CB 0.252 32.087 31.823 0.021 0.000 0.954 329 V HN 0.193 nan 8.190 nan 0.000 0.490 330 E N 1.604 121.815 120.200 0.018 0.000 2.349 330 E HA 0.292 4.642 4.350 0.000 0.000 0.262 330 E C -0.353 176.260 176.600 0.022 0.000 1.088 330 E CA -0.528 55.883 56.400 0.018 0.000 0.899 330 E CB 0.894 30.603 29.700 0.016 0.000 1.044 330 E HN 0.906 nan 8.360 nan 0.000 0.420 331 E N 1.537 121.749 120.200 0.021 0.000 2.104 331 E HA 0.027 4.377 4.350 0.000 0.000 0.278 331 E C -0.661 175.953 176.600 0.024 0.000 1.127 331 E CA -0.084 56.330 56.400 0.024 0.000 0.897 331 E CB 0.559 30.273 29.700 0.022 0.000 1.043 331 E HN 0.325 nan 8.360 nan 0.000 0.410 332 S N 3.089 118.805 115.700 0.027 0.000 2.572 332 S HA 0.026 4.496 4.470 0.000 0.000 0.279 332 S C 1.047 175.661 174.600 0.024 0.000 1.341 332 S CA 0.138 58.353 58.200 0.026 0.000 1.043 332 S CB 0.557 63.775 63.200 0.030 0.000 0.887 332 S HN 0.657 nan 8.310 nan 0.000 0.516 333 S N 4.045 119.757 115.700 0.020 0.000 2.562 333 S HA 0.170 4.640 4.470 0.000 0.000 0.221 333 S C 0.735 175.346 174.600 0.019 0.000 0.975 333 S CA -0.290 57.921 58.200 0.018 0.000 0.918 333 S CB -0.153 63.056 63.200 0.014 0.000 0.772 333 S HN 0.713 nan 8.310 nan 0.000 0.531 334 R N 1.542 122.056 120.500 0.022 0.000 2.827 334 R HA 0.163 4.503 4.340 0.000 0.000 0.269 334 R C 0.083 176.397 176.300 0.024 0.000 1.048 334 R CA -0.065 56.049 56.100 0.023 0.000 1.173 334 R CB 0.189 30.506 30.300 0.028 0.000 1.070 334 R HN 0.357 nan 8.270 nan 0.000 0.498 335 Q N 1.614 121.427 119.800 0.022 0.000 2.332 335 Q HA 0.059 4.399 4.340 0.000 0.000 0.263 335 Q C -0.234 175.782 176.000 0.028 0.000 0.979 335 Q CA -0.338 55.477 55.803 0.020 0.000 0.885 335 Q CB 0.826 29.573 28.738 0.015 0.000 1.218 335 Q HN 0.283 nan 8.270 nan 0.000 0.405 336 L N 5.083 126.324 121.223 0.030 0.000 2.490 336 L HA 0.156 4.497 4.340 0.000 0.000 0.274 336 L C -2.113 174.778 176.870 0.036 0.000 1.201 336 L CA -0.810 54.056 54.840 0.043 0.000 0.869 336 L CB 0.038 42.122 42.059 0.042 0.000 1.123 336 L HN 0.426 nan 8.230 nan 0.000 0.484 337 P HA 0.057 nan 4.420 nan 0.000 0.266 337 P C -0.972 176.339 177.300 0.018 0.000 1.193 337 P CA 0.022 63.138 63.100 0.027 0.000 0.770 337 P CB 0.274 31.987 31.700 0.022 0.000 0.836 338 T N 1.812 116.368 114.554 0.003 0.000 2.869 338 T HA 0.430 4.780 4.350 0.000 0.000 0.295 338 T C 0.347 175.043 174.700 -0.007 0.000 0.987 338 T CA -0.323 61.775 62.100 -0.004 0.000 1.109 338 T CB 0.541 69.404 68.868 -0.007 0.000 0.932 338 T HN 0.462 nan 8.240 nan 0.000 0.518 339 A N 2.684 125.501 122.820 -0.005 0.000 2.531 339 A HA 0.536 4.856 4.320 0.000 0.000 0.236 339 A C 0.860 178.442 177.584 -0.004 0.000 1.062 339 A CA -0.440 51.601 52.037 0.007 0.000 0.760 339 A CB -0.234 18.766 19.000 0.001 0.000 0.995 339 A HN 1.079 nan 8.150 nan 0.000 0.501 340 A N 3.785 126.603 122.820 -0.003 0.000 2.445 340 A HA 0.547 4.867 4.320 0.000 0.000 0.242 340 A C -1.399 176.184 177.584 -0.002 0.000 1.075 340 A CA -0.903 51.122 52.037 -0.021 0.000 0.777 340 A CB -0.519 18.456 19.000 -0.041 0.000 1.013 340 A HN 0.804 nan 8.150 nan 0.000 0.493 341 P HA 0.159 nan 4.420 nan 0.000 0.274 341 P C -0.479 176.824 177.300 0.005 0.000 1.231 341 P CA -0.346 62.754 63.100 -0.001 0.000 0.790 341 P CB 0.563 32.261 31.700 -0.004 0.000 0.951 342 E N 2.366 122.571 120.200 0.007 0.000 2.413 342 E HA 0.101 4.451 4.350 0.000 0.000 0.263 342 E C -1.536 175.070 176.600 0.010 0.000 1.015 342 E CA -0.952 55.455 56.400 0.011 0.000 0.916 342 E CB -0.289 29.417 29.700 0.010 0.000 0.947 342 E HN 0.446 nan 8.360 nan 0.000 0.440 343 P HA 0.076 nan 4.420 nan 0.000 0.269 343 P C -0.686 176.621 177.300 0.011 0.000 1.215 343 P CA -0.267 62.840 63.100 0.012 0.000 0.780 343 P CB 0.585 32.295 31.700 0.016 0.000 0.898 344 A N 2.731 125.555 122.820 0.007 0.000 2.466 344 A HA 0.128 4.448 4.320 0.000 0.000 0.238 344 A C 0.590 178.177 177.584 0.006 0.000 1.074 344 A CA -0.145 51.895 52.037 0.004 0.000 0.774 344 A CB -0.077 18.922 19.000 -0.002 0.000 1.015 344 A HN 0.524 nan 8.150 nan 0.000 0.498 345 K N 2.741 123.144 120.400 0.004 0.000 2.267 345 K HA 0.359 4.679 4.320 0.000 0.000 0.282 345 K C -0.635 175.959 176.600 -0.010 0.000 1.078 345 K CA -0.132 56.158 56.287 0.006 0.000 0.903 345 K CB 0.425 32.931 32.500 0.010 0.000 1.111 345 K HN 0.441 nan 8.250 nan 0.000 0.475 346 V N 3.740 123.641 119.914 -0.023 0.000 2.811 346 V HA -0.026 4.094 4.120 0.000 0.000 0.302 346 V C 0.499 176.550 176.094 -0.073 0.000 1.063 346 V CA -0.303 61.952 62.300 -0.076 0.000 1.088 346 V CB 0.762 32.503 31.823 -0.138 0.000 0.982 346 V HN 0.712 nan 8.190 nan 0.000 0.485 347 D N 2.881 123.224 120.400 -0.096 0.000 2.455 347 D HA 0.259 4.899 4.640 0.000 0.000 0.241 347 D C -0.053 176.249 176.300 0.004 0.000 1.138 347 D CA 0.351 54.327 54.000 -0.040 0.000 0.877 347 D CB 0.995 41.778 40.800 -0.028 0.000 1.187 347 D HN 0.532 nan 8.370 nan 0.000 0.451 348 Q N 2.198 122.044 119.800 0.076 0.000 2.350 348 Q HA 0.206 4.546 4.340 0.000 0.000 0.255 348 Q C -1.336 174.723 176.000 0.100 0.000 0.951 348 Q CA -0.756 55.141 55.803 0.156 0.000 0.751 348 Q CB 0.967 29.786 28.738 0.135 0.000 1.296 348 Q HN 0.381 nan 8.270 nan 0.000 0.453 349 D N 1.859 122.319 120.400 0.100 0.000 2.376 349 D HA 0.336 4.976 4.640 0.000 0.000 0.268 349 D C 0.318 176.641 176.300 0.039 0.000 1.252 349 D CA 0.004 54.039 54.000 0.058 0.000 1.041 349 D CB 0.409 41.239 40.800 0.051 0.000 1.109 349 D HN 0.433 nan 8.370 nan 0.000 0.552 350 A N -1.117 121.718 122.820 0.026 0.000 2.302 350 A HA 0.464 4.784 4.320 0.000 0.000 0.219 350 A C 1.001 178.590 177.584 0.008 0.000 1.243 350 A CA 0.386 52.433 52.037 0.017 0.000 0.856 350 A CB -1.115 17.894 19.000 0.015 0.000 0.893 350 A HN 0.535 nan 8.150 nan 0.000 0.491 351 G N -0.603 108.198 108.800 0.002 0.000 2.849 351 G HA2 0.428 4.388 3.960 0.000 0.000 0.174 351 G HA3 0.428 4.388 3.960 0.000 0.000 0.174 351 G C -0.027 174.852 174.900 -0.034 0.000 1.370 351 G CA -1.038 44.054 45.100 -0.013 0.000 1.040 351 G HN 0.432 nan 8.290 nan 0.000 0.582 352 R N -0.706 119.761 120.500 -0.055 0.000 2.697 352 R HA 0.141 4.481 4.340 0.000 0.000 0.265 352 R C -0.606 175.612 176.300 -0.136 0.000 1.009 352 R CA -0.091 55.961 56.100 -0.080 0.000 1.099 352 R CB 0.083 30.332 30.300 -0.085 0.000 0.965 352 R HN 0.139 nan 8.270 nan 0.000 0.428 353 L N 2.713 123.868 121.223 -0.114 0.000 2.375 353 L HA 0.197 4.538 4.340 0.000 0.000 0.271 353 L C 0.711 177.480 176.870 -0.168 0.000 1.107 353 L CA -0.065 54.706 54.840 -0.113 0.000 0.806 353 L CB 0.472 42.495 42.059 -0.059 0.000 1.146 353 L HN 0.370 nan 8.230 nan 0.000 0.447 354 H N 2.027 121.088 119.070 -0.016 0.000 2.511 354 H HA 0.160 4.716 4.556 0.000 0.000 0.346 354 H C -1.640 173.663 175.328 -0.042 0.000 1.128 354 H CA -1.609 54.435 56.048 -0.006 0.000 1.342 354 H CB 1.410 31.180 29.762 0.014 0.000 1.470 354 H HN 0.374 nan 8.280 nan 0.000 0.546 355 P HA -0.173 nan 4.420 nan 0.000 0.216 355 P C 1.046 178.320 177.300 -0.044 0.000 1.153 355 P CA 1.386 64.449 63.100 -0.062 0.000 0.858 355 P CB 0.461 32.227 31.700 0.111 0.000 0.789 356 E N -1.063 119.235 120.200 0.163 0.000 2.070 356 E HA -0.171 4.179 4.350 0.000 0.000 0.197 356 E C 2.017 178.689 176.600 0.120 0.000 1.004 356 E CA 1.893 58.414 56.400 0.202 0.000 0.805 356 E CB -1.569 28.204 29.700 0.122 0.000 0.744 356 E HN 0.232 nan 8.360 nan 0.000 0.451 357 T N 0.317 114.918 114.554 0.078 0.000 2.684 357 T HA -0.151 4.199 4.350 0.000 0.000 0.267 357 T C 2.006 176.701 174.700 -0.009 0.000 1.036 357 T CA 1.404 63.533 62.100 0.048 0.000 1.148 357 T CB -0.392 68.517 68.868 0.068 0.000 0.863 357 T HN -0.026 nan 8.240 nan 0.000 0.436 358 V N 0.777 120.620 119.914 -0.118 0.000 2.287 358 V HA -0.158 3.962 4.120 0.000 0.000 0.248 358 V C 2.096 178.085 176.094 -0.176 0.000 1.053 358 V CA 1.767 63.937 62.300 -0.217 0.000 1.027 358 V CB -0.865 30.704 31.823 -0.424 0.000 0.646 358 V HN 0.486 nan 8.190 nan 0.000 0.447 359 F N 0.249 120.210 119.950 0.018 0.000 2.134 359 F HA -0.164 4.363 4.527 0.000 0.000 0.299 359 F C 2.407 178.199 175.800 -0.014 0.000 1.097 359 F CA 1.410 59.400 58.000 -0.018 0.000 1.264 359 F CB -0.433 38.542 39.000 -0.041 0.000 1.001 359 F HN 0.182 nan 8.300 nan 0.000 0.479 360 D N -0.170 120.331 120.400 0.168 0.000 2.117 360 D HA -0.138 4.503 4.640 0.000 0.000 0.197 360 D C 2.256 178.602 176.300 0.077 0.000 0.987 360 D CA 1.806 55.867 54.000 0.100 0.000 0.829 360 D CB -0.801 40.044 40.800 0.075 0.000 0.961 360 D HN 0.163 nan 8.370 nan 0.000 0.460 361 T N 1.090 115.680 114.554 0.061 0.000 2.708 361 T HA -0.077 4.273 4.350 0.000 0.000 0.266 361 T C 2.241 176.983 174.700 0.071 0.000 1.037 361 T CA 0.509 62.639 62.100 0.050 0.000 1.146 361 T CB -0.368 68.516 68.868 0.028 0.000 0.865 361 T HN 0.107 nan 8.240 nan 0.000 0.435 362 L N 1.259 122.540 121.223 0.096 0.000 2.042 362 L HA -0.172 4.168 4.340 0.000 0.000 0.210 362 L C 2.724 179.694 176.870 0.168 0.000 1.076 362 L CA 1.355 56.288 54.840 0.155 0.000 0.749 362 L CB -0.609 41.591 42.059 0.235 0.000 0.893 362 L HN 0.409 nan 8.230 nan 0.000 0.432 363 N N -0.306 118.472 118.700 0.131 0.000 2.149 363 N HA -0.215 4.526 4.740 0.000 0.000 0.188 363 N C 1.277 176.837 175.510 0.083 0.000 1.019 363 N CA 1.533 54.644 53.050 0.102 0.000 0.857 363 N CB 0.100 38.619 38.487 0.054 0.000 0.997 363 N HN 0.338 nan 8.380 nan 0.000 0.426 364 D N 0.297 120.738 120.400 0.068 0.000 2.149 364 D HA -0.083 4.557 4.640 0.000 0.000 0.201 364 D C 1.823 178.152 176.300 0.047 0.000 0.972 364 D CA 1.037 55.067 54.000 0.049 0.000 0.835 364 D CB -0.032 40.792 40.800 0.040 0.000 0.966 364 D HN 0.447 nan 8.370 nan 0.000 0.476 365 M N 0.260 119.893 119.600 0.056 0.000 2.486 365 M HA 0.173 4.654 4.480 0.000 0.000 0.264 365 M C 0.939 177.265 176.300 0.043 0.000 1.125 365 M CA -0.008 55.318 55.300 0.044 0.000 1.144 365 M CB 0.442 33.066 32.600 0.040 0.000 1.353 365 M HN -0.194 nan 8.290 nan 0.000 0.466 366 A N 2.643 125.505 122.820 0.070 0.000 2.425 366 A HA 0.391 4.711 4.320 0.000 0.000 0.249 366 A C -2.059 175.540 177.584 0.025 0.000 1.084 366 A CA -1.218 50.847 52.037 0.047 0.000 0.781 366 A CB -0.649 18.409 19.000 0.098 0.000 1.019 366 A HN 0.125 nan 8.150 nan 0.000 0.490 367 P HA 0.043 nan 4.420 nan 0.000 0.269 367 P C 0.183 177.478 177.300 -0.009 0.000 1.217 367 P CA -0.016 63.074 63.100 -0.016 0.000 0.783 367 P CB 0.524 32.203 31.700 -0.036 0.000 0.898 368 E N 1.246 121.444 120.200 -0.003 0.000 2.265 368 E HA -0.149 4.201 4.350 0.000 0.000 0.196 368 E C 0.836 177.431 176.600 -0.008 0.000 0.996 368 E CA 0.920 57.321 56.400 0.003 0.000 0.832 368 E CB -0.271 29.426 29.700 -0.004 0.000 0.756 368 E HN 0.534 nan 8.360 nan 0.000 0.491 369 N N 0.650 119.334 118.700 -0.027 0.000 2.321 369 N HA 0.138 4.878 4.740 0.000 0.000 0.242 369 N C -0.183 175.287 175.510 -0.067 0.000 1.141 369 N CA -0.122 52.907 53.050 -0.036 0.000 0.864 369 N CB 0.216 38.684 38.487 -0.032 0.000 1.100 369 N HN -0.061 nan 8.380 nan 0.000 0.510 370 A N 0.783 123.539 122.820 -0.107 0.000 2.406 370 A HA 0.469 4.789 4.320 0.000 0.000 0.243 370 A C 0.095 177.515 177.584 -0.273 0.000 1.082 370 A CA -0.151 51.742 52.037 -0.240 0.000 0.786 370 A CB 0.150 18.915 19.000 -0.392 0.000 1.029 370 A HN 0.401 nan 8.150 nan 0.000 0.495 371 I N 1.115 121.498 120.570 -0.311 0.000 2.389 371 I HA 0.317 4.487 4.170 0.000 0.000 0.288 371 I C -1.215 174.754 176.117 -0.246 0.000 0.999 371 I CA -0.239 60.965 61.300 -0.160 0.000 1.129 371 I CB 1.220 39.214 38.000 -0.009 0.000 1.288 371 I HN 0.614 nan 8.210 nan 0.000 0.444 372 Y N 6.097 126.417 120.300 0.033 0.000 2.387 372 Y HA 0.652 5.202 4.550 0.000 0.000 0.330 372 Y C -0.355 175.551 175.900 0.011 0.000 1.133 372 Y CA -0.804 57.315 58.100 0.032 0.000 1.152 372 Y CB 1.446 39.937 38.460 0.052 0.000 1.215 372 Y HN 0.332 nan 8.280 nan 0.000 0.466 373 L N 2.514 123.841 121.223 0.172 0.000 2.386 373 L HA 0.395 4.736 4.340 0.000 0.000 0.271 373 L C -0.649 176.288 176.870 0.111 0.000 0.993 373 L CA -0.499 54.391 54.840 0.083 0.000 0.819 373 L CB 1.979 44.078 42.059 0.066 0.000 1.294 373 L HN 0.668 nan 8.230 nan 0.000 0.414 374 N N 1.992 120.742 118.700 0.082 0.000 2.399 374 N HA 0.332 5.072 4.740 0.000 0.000 0.280 374 N C -0.819 174.906 175.510 0.358 0.000 1.008 374 N CA -0.221 52.982 53.050 0.256 0.000 0.894 374 N CB 1.256 39.941 38.487 0.330 0.000 1.273 374 N HN 0.760 nan 8.380 nan 0.000 0.486 375 E N 2.470 122.847 120.200 0.296 0.000 3.918 375 E HA 0.046 4.396 4.350 0.000 0.000 0.183 375 E C -1.341 175.411 176.600 0.254 0.000 1.021 375 E CA -0.095 56.457 56.400 0.254 0.000 1.431 375 E CB 0.471 30.270 29.700 0.166 0.000 1.140 375 E HN 0.354 nan 8.360 nan 0.000 0.435 376 S N 0.464 116.346 115.700 0.303 0.000 2.497 376 S HA 0.053 4.523 4.470 0.000 0.000 0.176 376 S C 1.436 176.211 174.600 0.292 0.000 1.445 376 S CA 0.128 58.490 58.200 0.270 0.000 1.092 376 S CB 0.058 63.429 63.200 0.286 0.000 1.216 376 S HN 0.474 nan 8.310 nan 0.000 0.486 377 T N 0.304 115.036 114.554 0.296 0.000 2.755 377 T HA -0.209 4.141 4.350 0.000 0.000 0.266 377 T C 1.638 176.470 174.700 0.221 0.000 1.041 377 T CA 2.042 64.326 62.100 0.306 0.000 1.147 377 T CB -0.694 68.345 68.868 0.284 0.000 0.847 377 T HN 0.686 nan 8.240 nan 0.000 0.478 378 S N 0.587 116.397 115.700 0.183 0.000 2.556 378 S HA 0.162 4.632 4.470 0.000 0.000 0.216 378 S C 1.566 176.207 174.600 0.068 0.000 0.970 378 S CA 0.260 58.515 58.200 0.092 0.000 0.912 378 S CB -0.175 63.100 63.200 0.125 0.000 0.790 378 S HN 0.785 nan 8.310 nan 0.000 0.504 379 T N -3.079 111.564 114.554 0.148 0.000 3.091 379 T HA 0.205 4.555 4.350 0.000 0.000 0.277 379 T C 1.243 176.019 174.700 0.127 0.000 0.996 379 T CA 0.278 62.496 62.100 0.197 0.000 0.897 379 T CB -0.263 68.840 68.868 0.392 0.000 1.109 379 T HN 0.150 nan 8.240 nan 0.000 0.534 380 T N 2.369 116.974 114.554 0.084 0.000 2.699 380 T HA -0.093 4.257 4.350 0.000 0.000 0.268 380 T C 2.370 177.087 174.700 0.029 0.000 1.036 380 T CA 1.751 63.885 62.100 0.057 0.000 1.147 380 T CB -0.728 68.150 68.868 0.017 0.000 0.862 380 T HN 0.647 nan 8.240 nan 0.000 0.446 381 A N 1.458 124.260 122.820 -0.030 0.000 1.858 381 A HA -0.199 4.121 4.320 0.000 0.000 0.216 381 A C 2.330 179.891 177.584 -0.038 0.000 1.190 381 A CA 1.823 53.835 52.037 -0.042 0.000 0.617 381 A CB -0.768 18.174 19.000 -0.095 0.000 0.827 381 A HN 0.477 nan 8.150 nan 0.000 0.443 382 Q N -0.920 118.851 119.800 -0.048 0.000 2.124 382 Q HA -0.114 4.227 4.340 0.000 0.000 0.202 382 Q C 2.116 177.944 176.000 -0.287 0.000 0.977 382 Q CA 1.701 57.474 55.803 -0.050 0.000 0.850 382 Q CB -0.490 28.315 28.738 0.112 0.000 0.901 382 Q HN 0.781 nan 8.270 nan 0.000 0.429 383 M N -1.136 118.068 119.600 -0.660 0.000 2.080 383 M HA -0.203 4.277 4.480 0.000 0.000 0.260 383 M C 1.177 177.096 176.300 -0.635 0.000 1.068 383 M CA 1.692 56.236 55.300 -1.260 0.000 1.109 383 M CB -0.171 31.692 32.600 -1.228 0.000 1.342 383 M HN 0.309 nan 8.290 nan 0.000 0.405 384 W N 0.714 121.752 121.300 -0.435 0.000 2.421 384 W HA -0.165 4.496 4.660 0.001 0.000 0.270 384 W C 2.309 178.711 176.519 -0.194 0.000 1.233 384 W CA 1.253 58.404 57.345 -0.323 0.000 1.226 384 W CB -0.032 29.267 29.460 -0.268 0.000 1.121 384 W HN 0.402 nan 8.180 nan 0.000 0.579 385 Q N -0.916 118.897 119.800 0.023 0.000 2.250 385 Q HA 0.016 4.357 4.340 0.000 0.000 0.200 385 Q C 1.819 177.807 176.000 -0.020 0.000 0.941 385 Q CA 0.754 56.574 55.803 0.029 0.000 0.872 385 Q CB -0.019 28.726 28.738 0.011 0.000 0.965 385 Q HN 0.258 nan 8.270 nan 0.000 0.480 386 R N -0.261 120.181 120.500 -0.096 0.000 2.334 386 R HA 0.238 4.578 4.340 0.000 0.000 0.216 386 R C -0.118 176.119 176.300 -0.104 0.000 0.905 386 R CA 0.032 56.096 56.100 -0.060 0.000 1.064 386 R CB 0.564 30.878 30.300 0.023 0.000 1.046 386 R HN 0.057 nan 8.270 nan 0.000 0.508 387 L N 1.469 122.560 121.223 -0.221 0.000 2.305 387 L HA 0.280 4.620 4.340 0.000 0.000 0.284 387 L C -0.393 176.361 176.870 -0.194 0.000 1.013 387 L CA -0.540 54.132 54.840 -0.279 0.000 0.819 387 L CB 1.658 43.358 42.059 -0.599 0.000 1.227 387 L HN 0.124 nan 8.230 nan 0.000 0.417 388 N N 5.186 123.828 118.700 -0.097 0.000 2.439 388 N HA 0.310 5.051 4.740 0.000 0.000 0.243 388 N C -0.832 174.644 175.510 -0.058 0.000 1.088 388 N CA -0.504 52.505 53.050 -0.069 0.000 0.940 388 N CB 0.541 39.011 38.487 -0.028 0.000 1.180 388 N HN 0.570 nan 8.380 nan 0.000 0.505 389 M N 3.641 123.172 119.600 -0.115 0.000 2.055 389 M HA 0.245 4.725 4.480 0.000 0.000 0.346 389 M C 0.955 177.186 176.300 -0.115 0.000 1.074 389 M CA -0.438 54.812 55.300 -0.083 0.000 1.009 389 M CB 1.514 34.034 32.600 -0.133 0.000 1.423 389 M HN 0.442 nan 8.290 nan 0.000 0.410 390 R N 0.568 121.021 120.500 -0.078 0.000 2.127 390 R HA 0.120 4.460 4.340 0.000 0.000 0.217 390 R C 0.382 176.621 176.300 -0.102 0.000 1.074 390 R CA 0.673 56.715 56.100 -0.096 0.000 0.991 390 R CB 0.114 30.374 30.300 -0.067 0.000 0.895 390 R HN 0.631 nan 8.270 nan 0.000 0.450 391 N N 1.176 119.833 118.700 -0.071 0.000 2.485 391 N HA 0.303 5.044 4.740 0.000 0.000 0.280 391 N C -2.603 172.874 175.510 -0.055 0.000 1.205 391 N CA -1.645 51.368 53.050 -0.061 0.000 0.959 391 N CB 0.653 39.117 38.487 -0.039 0.000 1.206 391 N HN -0.223 nan 8.380 nan 0.000 0.545 392 P HA 0.139 nan 4.420 nan 0.000 0.274 392 P C 0.295 177.589 177.300 -0.009 0.000 1.256 392 P CA 0.151 63.237 63.100 -0.022 0.000 0.795 392 P CB 0.262 31.957 31.700 -0.008 0.000 1.038 393 G N 0.486 109.279 108.800 -0.012 0.000 2.395 393 G HA2 -0.253 3.707 3.960 0.000 0.000 0.300 393 G HA3 -0.253 3.707 3.960 0.000 0.000 0.300 393 G C 0.524 175.414 174.900 -0.016 0.000 0.998 393 G CA 0.548 45.650 45.100 0.002 0.000 1.046 393 G HN 0.423 nan 8.290 nan 0.000 0.513 394 S N -1.473 114.179 115.700 -0.080 0.000 2.559 394 S HA 0.373 4.843 4.470 0.000 0.000 0.226 394 S C -0.115 174.511 174.600 0.044 0.000 1.000 394 S CA 0.096 58.295 58.200 -0.002 0.000 0.948 394 S CB 0.609 63.820 63.200 0.018 0.000 0.870 394 S HN 0.764 nan 8.310 nan 0.000 0.497 395 Y N 0.692 120.786 120.300 -0.344 0.000 2.479 395 Y HA 0.569 5.119 4.550 0.000 0.000 0.338 395 Y C -2.188 173.408 175.900 -0.507 0.000 1.055 395 Y CA -1.309 56.616 58.100 -0.291 0.000 1.023 395 Y CB 1.049 39.298 38.460 -0.351 0.000 1.287 395 Y HN 0.067 nan 8.280 nan 0.000 0.447 396 Y N 6.371 126.386 120.300 -0.474 0.000 2.433 396 Y HA 0.570 5.120 4.550 0.000 0.000 0.337 396 Y C -1.520 174.258 175.900 -0.203 0.000 1.026 396 Y CA -1.079 56.930 58.100 -0.152 0.000 1.037 396 Y CB 2.176 40.715 38.460 0.132 0.000 1.245 396 Y HN 0.589 nan 8.280 nan 0.000 0.443 397 F N 2.983 122.927 119.950 -0.011 0.000 2.574 397 F HA 0.514 5.042 4.527 0.000 0.000 0.313 397 F C -0.298 175.455 175.800 -0.079 0.000 1.130 397 F CA -1.785 56.235 58.000 0.034 0.000 0.936 397 F CB 0.903 39.984 39.000 0.136 0.000 1.219 397 F HN 0.725 nan 8.300 nan 0.000 0.445 398 C N 4.681 123.483 119.300 -0.830 0.000 2.262 398 C HA 0.355 4.815 4.460 0.000 0.000 0.410 398 C C 1.725 176.329 174.990 -0.643 0.000 1.495 398 C CA -0.036 58.404 59.018 -0.965 0.000 1.410 398 C CB -1.572 25.755 27.740 -0.689 0.000 2.542 398 C HN 1.061 nan 8.230 nan 0.000 0.624 399 A N 3.227 125.775 122.820 -0.453 0.000 2.032 399 A HA 0.122 4.442 4.320 0.000 0.000 0.221 399 A C 2.250 179.770 177.584 -0.105 0.000 1.165 399 A CA 2.062 54.004 52.037 -0.160 0.000 0.645 399 A CB -0.408 18.494 19.000 -0.163 0.000 0.807 399 A HN 1.702 nan 8.150 nan 0.000 0.453 400 A N -2.666 120.050 122.820 -0.173 0.000 2.390 400 A HA 0.471 4.791 4.320 0.000 0.000 0.232 400 A C 1.637 179.141 177.584 -0.133 0.000 1.233 400 A CA 0.972 52.946 52.037 -0.105 0.000 0.907 400 A CB -0.506 18.445 19.000 -0.080 0.000 0.967 400 A HN 1.859 nan 8.150 nan 0.000 0.512 401 G N -1.003 107.674 108.800 -0.205 0.000 2.162 401 G HA2 -0.090 3.870 3.960 0.000 0.000 0.260 401 G HA3 -0.090 3.870 3.960 0.000 0.000 0.260 401 G C 0.693 175.460 174.900 -0.222 0.000 0.976 401 G CA 0.205 45.187 45.100 -0.198 0.000 0.655 401 G HN 1.465 nan 8.290 nan 0.000 0.533 402 G N 0.369 109.030 108.800 -0.233 0.000 2.372 402 G HA2 0.556 4.516 3.960 0.000 0.000 0.286 402 G HA3 0.556 4.516 3.960 0.000 0.000 0.286 402 G C 0.553 175.306 174.900 -0.245 0.000 1.153 402 G CA -0.470 44.504 45.100 -0.210 0.000 0.985 402 G HN 0.618 nan 8.290 nan 0.000 0.429 403 L N 1.800 122.798 121.223 -0.375 0.000 2.467 403 L HA 0.430 4.770 4.340 0.000 0.000 0.270 403 L C 1.486 178.144 176.870 -0.354 0.000 1.205 403 L CA 0.805 55.374 54.840 -0.451 0.000 0.828 403 L CB 0.904 42.458 42.059 -0.842 0.000 1.101 403 L HN 0.817 nan 8.230 nan 0.000 0.479 404 G N 1.423 110.172 108.800 -0.084 0.000 2.168 404 G HA2 -0.297 3.663 3.960 0.000 0.000 0.197 404 G HA3 -0.297 3.663 3.960 0.000 0.000 0.197 404 G C 0.110 175.076 174.900 0.109 0.000 0.997 404 G CA 0.229 45.387 45.100 0.097 0.000 0.658 404 G HN 0.640 nan 8.290 nan 0.000 0.513 405 F N 1.463 121.379 119.950 -0.057 0.000 2.222 405 F HA 0.545 5.072 4.527 0.001 0.000 0.285 405 F C 2.531 178.320 175.800 -0.018 0.000 1.068 405 F CA 1.833 59.800 58.000 -0.056 0.000 1.265 405 F CB -0.552 38.380 39.000 -0.114 0.000 1.087 405 F HN 0.239 nan 8.300 nan 0.000 0.511 406 A N 1.501 124.247 122.820 -0.123 0.000 1.884 406 A HA -0.254 4.066 4.320 0.000 0.000 0.219 406 A C 2.330 179.835 177.584 -0.132 0.000 1.197 406 A CA 2.288 54.215 52.037 -0.184 0.000 0.637 406 A CB -1.529 17.517 19.000 0.077 0.000 0.827 406 A HN 0.612 nan 8.150 nan 0.000 0.450 407 L N 0.082 121.322 121.223 0.028 0.000 1.970 407 L HA -0.116 4.224 4.340 0.000 0.000 0.212 407 L C -0.291 176.652 176.870 0.122 0.000 1.071 407 L CA 2.240 57.185 54.840 0.176 0.000 0.751 407 L CB -0.814 41.325 42.059 0.133 0.000 0.889 407 L HN 0.302 nan 8.230 nan 0.000 0.432 408 P HA -0.127 nan 4.420 nan 0.000 0.217 408 P C 1.245 178.455 177.300 -0.150 0.000 1.151 408 P CA 1.870 64.947 63.100 -0.038 0.000 0.828 408 P CB -0.046 31.626 31.700 -0.046 0.000 0.788 409 A N 0.879 123.468 122.820 -0.386 0.000 1.933 409 A HA -0.046 4.274 4.320 0.000 0.000 0.218 409 A C 2.514 179.883 177.584 -0.358 0.000 1.175 409 A CA 2.043 53.746 52.037 -0.557 0.000 0.628 409 A CB -1.546 16.638 19.000 -1.360 0.000 0.814 409 A HN 0.226 nan 8.150 nan 0.000 0.444 410 A N -0.076 122.590 122.820 -0.257 0.000 1.972 410 A HA -0.082 4.239 4.320 0.000 0.000 0.219 410 A C 2.070 179.580 177.584 -0.124 0.000 1.169 410 A CA 1.508 53.435 52.037 -0.182 0.000 0.635 410 A CB -0.575 18.319 19.000 -0.176 0.000 0.810 410 A HN 0.528 nan 8.150 nan 0.000 0.446 411 I N -0.631 119.922 120.570 -0.029 0.000 2.286 411 I HA -0.145 4.025 4.170 0.000 0.000 0.245 411 I C 2.684 178.815 176.117 0.023 0.000 1.104 411 I CA 1.001 62.326 61.300 0.040 0.000 1.397 411 I CB -0.620 37.458 38.000 0.129 0.000 1.072 411 I HN 0.388 nan 8.210 nan 0.000 0.417 412 G N 0.700 109.487 108.800 -0.021 0.000 2.404 412 G HA2 -0.168 3.792 3.960 0.000 0.000 0.215 412 G HA3 -0.168 3.792 3.960 0.000 0.000 0.215 412 G C 1.724 176.661 174.900 0.062 0.000 1.174 412 G CA 0.769 45.889 45.100 0.032 0.000 0.780 412 G HN 0.207 nan 8.290 nan 0.000 0.537 413 V N 0.702 120.563 119.914 -0.088 0.000 2.287 413 V HA -0.249 3.872 4.120 0.000 0.000 0.248 413 V C 2.794 178.869 176.094 -0.031 0.000 1.053 413 V CA 2.342 64.574 62.300 -0.113 0.000 1.027 413 V CB -0.547 31.158 31.823 -0.197 0.000 0.646 413 V HN 0.430 nan 8.190 nan 0.000 0.447 414 Q N -0.250 119.530 119.800 -0.033 0.000 2.181 414 Q HA -0.208 4.132 4.340 0.000 0.000 0.205 414 Q C 1.903 177.926 176.000 0.039 0.000 0.980 414 Q CA 1.808 57.600 55.803 -0.018 0.000 0.862 414 Q CB -0.529 28.182 28.738 -0.045 0.000 0.905 414 Q HN 0.573 nan 8.270 nan 0.000 0.429 415 L N -0.467 120.816 121.223 0.100 0.000 2.156 415 L HA 0.104 4.444 4.340 0.000 0.000 0.208 415 L C 1.887 178.904 176.870 0.244 0.000 1.095 415 L CA 1.910 56.850 54.840 0.167 0.000 0.770 415 L CB -0.684 41.496 42.059 0.201 0.000 0.914 415 L HN 0.218 nan 8.230 nan 0.000 0.439 416 A N -1.606 121.338 122.820 0.207 0.000 1.975 416 A HA 0.055 4.376 4.320 0.000 0.000 0.215 416 A C 1.121 178.695 177.584 -0.015 0.000 1.170 416 A CA 0.649 52.694 52.037 0.012 0.000 0.656 416 A CB -0.124 18.715 19.000 -0.268 0.000 0.821 416 A HN 0.387 nan 8.150 nan 0.000 0.449 417 E N 0.013 120.213 120.200 0.001 0.000 3.167 417 E HA 0.158 4.508 4.350 0.000 0.000 0.212 417 E C -2.103 174.496 176.600 -0.001 0.000 1.143 417 E CA -1.695 54.700 56.400 -0.007 0.000 1.002 417 E CB 0.797 30.489 29.700 -0.012 0.000 1.315 417 E HN 0.406 nan 8.360 nan 0.000 0.422 418 P HA -0.134 nan 4.420 nan 0.000 0.221 418 P C 0.640 177.937 177.300 -0.005 0.000 1.145 418 P CA 1.006 64.111 63.100 0.008 0.000 0.795 418 P CB 0.607 32.318 31.700 0.019 0.000 0.775 419 E N -0.382 119.813 120.200 -0.009 0.000 2.479 419 E HA 0.089 4.439 4.350 0.000 0.000 0.193 419 E C 0.636 177.221 176.600 -0.025 0.000 1.049 419 E CA 0.204 56.595 56.400 -0.015 0.000 0.870 419 E CB 0.149 29.842 29.700 -0.012 0.000 0.944 419 E HN 0.421 nan 8.360 nan 0.000 0.492 420 R N 1.038 121.519 120.500 -0.031 0.000 2.480 420 R HA 0.252 4.592 4.340 0.000 0.000 0.306 420 R C -0.321 175.937 176.300 -0.069 0.000 0.958 420 R CA -0.841 55.231 56.100 -0.047 0.000 0.861 420 R CB 1.389 31.665 30.300 -0.041 0.000 1.171 420 R HN -0.161 nan 8.270 nan 0.000 0.445 421 Q N 2.431 122.177 119.800 -0.090 0.000 2.262 421 Q HA 0.106 4.446 4.340 0.000 0.000 0.272 421 Q C -0.885 175.013 176.000 -0.170 0.000 1.076 421 Q CA 0.179 55.912 55.803 -0.117 0.000 0.905 421 Q CB 0.845 29.515 28.738 -0.114 0.000 1.182 421 Q HN 0.390 nan 8.270 nan 0.000 0.390 422 V N 6.856 126.671 119.914 -0.165 0.000 2.465 422 V HA 0.400 4.520 4.120 0.000 0.000 0.279 422 V C 0.128 176.077 176.094 -0.241 0.000 1.045 422 V CA -0.401 61.782 62.300 -0.195 0.000 0.938 422 V CB 1.035 32.759 31.823 -0.165 0.000 0.986 422 V HN 0.719 nan 8.190 nan 0.000 0.467 423 I N 4.316 124.736 120.570 -0.250 0.000 2.439 423 I HA 0.591 4.761 4.170 0.000 0.000 0.283 423 I C 0.116 176.204 176.117 -0.048 0.000 1.023 423 I CA -0.507 60.688 61.300 -0.174 0.000 1.100 423 I CB 1.732 39.641 38.000 -0.152 0.000 1.238 423 I HN 0.637 nan 8.210 nan 0.000 0.445 424 A N 6.708 129.477 122.820 -0.085 0.000 2.249 424 A HA 0.673 4.993 4.320 0.000 0.000 0.314 424 A C -0.367 177.289 177.584 0.120 0.000 1.290 424 A CA -0.440 51.612 52.037 0.026 0.000 0.893 424 A CB 0.735 19.723 19.000 -0.021 0.000 1.165 424 A HN 0.459 nan 8.150 nan 0.000 0.530 425 V N 5.106 125.135 119.914 0.191 0.000 2.348 425 V HA 0.328 4.449 4.120 0.000 0.000 0.270 425 V C -0.120 176.090 176.094 0.193 0.000 1.037 425 V CA 0.167 62.588 62.300 0.202 0.000 0.872 425 V CB 0.075 32.083 31.823 0.308 0.000 1.002 425 V HN 0.705 nan 8.190 nan 0.000 0.464 426 I N 3.585 124.242 120.570 0.146 0.000 2.509 426 I HA 0.588 4.758 4.170 0.000 0.000 0.293 426 I C 0.944 177.109 176.117 0.080 0.000 1.020 426 I CA -0.572 60.811 61.300 0.138 0.000 1.088 426 I CB 2.003 40.090 38.000 0.145 0.000 1.267 426 I HN 0.639 nan 8.210 nan 0.000 0.430 427 G N 2.697 111.571 108.800 0.124 0.000 2.527 427 G HA2 0.056 4.016 3.960 0.000 0.000 0.248 427 G HA3 0.056 4.016 3.960 0.000 0.000 0.248 427 G C 0.843 175.777 174.900 0.055 0.000 1.231 427 G CA -0.287 44.877 45.100 0.107 0.000 0.838 427 G HN 0.850 nan 8.290 nan 0.000 0.570 428 D N 0.766 121.166 120.400 0.000 0.000 2.221 428 D HA -0.113 4.527 4.640 0.000 0.000 0.204 428 D C 2.021 178.503 176.300 0.303 0.000 0.982 428 D CA 1.350 55.334 54.000 -0.026 0.000 0.857 428 D CB -0.582 40.269 40.800 0.085 0.000 0.934 428 D HN 0.459 nan 8.370 nan 0.000 0.475 429 G N 0.335 109.334 108.800 0.331 0.000 2.395 429 G HA2 -0.173 3.787 3.960 0.000 0.000 0.214 429 G HA3 -0.173 3.787 3.960 0.000 0.000 0.214 429 G C 1.860 177.093 174.900 0.554 0.000 1.177 429 G CA 0.742 46.140 45.100 0.497 0.000 0.794 429 G HN 0.325 nan 8.290 nan 0.000 0.532 430 S N 1.199 117.185 115.700 0.478 0.000 2.383 430 S HA -0.054 4.416 4.470 0.000 0.000 0.229 430 S C 2.744 177.612 174.600 0.446 0.000 1.030 430 S CA 1.144 59.627 58.200 0.471 0.000 1.002 430 S CB -0.362 62.989 63.200 0.252 0.000 0.829 430 S HN 0.572 nan 8.310 nan 0.000 0.467 431 A N 2.624 125.632 122.820 0.313 0.000 1.986 431 A HA -0.189 4.131 4.320 0.000 0.000 0.220 431 A C 1.896 179.659 177.584 0.299 0.000 1.171 431 A CA 1.522 53.719 52.037 0.267 0.000 0.640 431 A CB -0.580 18.538 19.000 0.197 0.000 0.811 431 A HN 0.516 nan 8.150 nan 0.000 0.451 432 N N -1.148 117.732 118.700 0.301 0.000 2.188 432 N HA -0.154 4.587 4.740 0.000 0.000 0.184 432 N C 1.532 177.090 175.510 0.081 0.000 1.018 432 N CA 1.573 54.711 53.050 0.147 0.000 0.858 432 N CB -0.545 37.960 38.487 0.030 0.000 0.989 432 N HN 0.643 nan 8.380 nan 0.000 0.426 433 Y N 1.498 121.876 120.300 0.130 0.000 2.102 433 Y HA -0.137 4.413 4.550 0.000 0.000 0.280 433 Y C 1.633 177.576 175.900 0.071 0.000 1.178 433 Y CA 1.175 59.331 58.100 0.093 0.000 1.146 433 Y CB -0.240 38.271 38.460 0.085 0.000 0.968 433 Y HN -0.048 nan 8.280 nan 0.000 0.504 434 S N -0.843 114.991 115.700 0.224 0.000 2.668 434 S HA 0.143 4.614 4.470 0.000 0.000 0.244 434 S C 1.158 175.802 174.600 0.072 0.000 1.140 434 S CA -0.345 57.927 58.200 0.121 0.000 1.134 434 S CB -0.070 63.191 63.200 0.101 0.000 0.954 434 S HN 0.232 nan 8.310 nan 0.000 0.490 435 I N 2.954 123.579 120.570 0.092 0.000 2.248 435 I HA -0.216 3.954 4.170 0.000 0.000 0.248 435 I C 2.334 178.447 176.117 -0.006 0.000 1.107 435 I CA 1.852 63.205 61.300 0.087 0.000 1.373 435 I CB -0.321 37.771 38.000 0.154 0.000 1.055 435 I HN 0.471 nan 8.210 nan 0.000 0.418 436 S N 0.548 116.201 115.700 -0.078 0.000 2.500 436 S HA -0.052 4.418 4.470 0.000 0.000 0.239 436 S C 2.167 176.533 174.600 -0.391 0.000 0.989 436 S CA 0.649 58.582 58.200 -0.446 0.000 0.951 436 S CB -0.953 62.089 63.200 -0.265 0.000 0.759 436 S HN 0.512 nan 8.310 nan 0.000 0.523 437 A N 2.248 124.976 122.820 -0.154 0.000 1.978 437 A HA 0.080 4.400 4.320 0.000 0.000 0.220 437 A C 2.181 179.728 177.584 -0.060 0.000 1.170 437 A CA 1.306 53.309 52.037 -0.056 0.000 0.636 437 A CB -0.870 18.125 19.000 -0.008 0.000 0.810 437 A HN 0.568 nan 8.150 nan 0.000 0.448 438 L N -2.532 118.590 121.223 -0.167 0.000 2.051 438 L HA -0.282 4.058 4.340 0.000 0.000 0.214 438 L C 2.465 179.331 176.870 -0.007 0.000 1.076 438 L CA 1.992 56.738 54.840 -0.158 0.000 0.758 438 L CB -0.567 41.415 42.059 -0.127 0.000 0.890 438 L HN 0.762 nan 8.230 nan 0.000 0.433 439 W N 0.942 122.077 121.300 -0.275 0.000 2.321 439 W HA -0.264 4.396 4.660 0.001 0.000 0.306 439 W C 2.589 179.096 176.519 -0.020 0.000 1.217 439 W CA 2.363 59.630 57.345 -0.129 0.000 1.257 439 W CB -0.421 28.879 29.460 -0.266 0.000 1.145 439 W HN 0.004 nan 8.180 nan 0.000 0.509 440 T N 0.323 114.971 114.554 0.157 0.000 2.788 440 T HA -0.199 4.152 4.350 0.000 0.000 0.268 440 T C 1.937 176.696 174.700 0.098 0.000 1.044 440 T CA 1.924 64.116 62.100 0.153 0.000 1.139 440 T CB -0.903 68.137 68.868 0.287 0.000 0.867 440 T HN 0.264 nan 8.240 nan 0.000 0.454 441 A N 1.422 124.299 122.820 0.095 0.000 1.902 441 A HA 0.141 4.461 4.320 0.000 0.000 0.217 441 A C 2.630 180.226 177.584 0.020 0.000 1.181 441 A CA 1.858 53.970 52.037 0.125 0.000 0.623 441 A CB -1.088 18.060 19.000 0.247 0.000 0.818 441 A HN 0.510 nan 8.150 nan 0.000 0.443 442 A N -1.257 121.513 122.820 -0.082 0.000 1.855 442 A HA -0.163 4.157 4.320 0.000 0.000 0.215 442 A C 2.146 179.545 177.584 -0.308 0.000 1.191 442 A CA 1.620 53.563 52.037 -0.157 0.000 0.613 442 A CB -0.549 18.351 19.000 -0.166 0.000 0.829 442 A HN 0.463 nan 8.150 nan 0.000 0.442 443 Q N -1.008 118.428 119.800 -0.607 0.000 2.061 443 Q HA -0.185 4.155 4.340 0.000 0.000 0.204 443 Q C 1.217 176.808 176.000 -0.682 0.000 0.984 443 Q CA 1.719 57.018 55.803 -0.840 0.000 0.846 443 Q CB -0.426 27.433 28.738 -1.466 0.000 0.902 443 Q HN 0.866 nan 8.270 nan 0.000 0.421 444 Y N -0.004 120.173 120.300 -0.206 0.000 2.493 444 Y HA 0.131 4.681 4.550 0.000 0.000 0.275 444 Y C 0.340 176.196 175.900 -0.072 0.000 1.183 444 Y CA -0.413 57.620 58.100 -0.112 0.000 1.258 444 Y CB -0.357 38.054 38.460 -0.081 0.000 1.108 444 Y HN 0.162 nan 8.280 nan 0.000 0.521 445 N N 1.445 120.141 118.700 -0.006 0.000 2.686 445 N HA -0.231 4.509 4.740 0.000 0.000 0.261 445 N C -1.110 174.429 175.510 0.049 0.000 1.001 445 N CA 0.293 53.349 53.050 0.009 0.000 0.764 445 N CB -1.089 37.394 38.487 -0.006 0.000 0.898 445 N HN 0.407 nan 8.380 nan 0.000 0.544 446 I N 1.538 122.153 120.570 0.074 0.000 2.287 446 I HA 0.202 4.372 4.170 0.000 0.000 0.290 446 I C -1.266 174.883 176.117 0.054 0.000 1.069 446 I CA -2.025 59.317 61.300 0.070 0.000 1.237 446 I CB 1.170 39.227 38.000 0.094 0.000 1.418 446 I HN 0.134 nan 8.210 nan 0.000 0.481 447 P HA -0.068 nan 4.420 nan 0.000 0.311 447 P C 0.146 177.414 177.300 -0.055 0.000 1.543 447 P CA 0.223 63.323 63.100 0.000 0.000 0.766 447 P CB -0.707 30.988 31.700 -0.008 0.000 1.711 448 T N 1.278 115.777 114.554 -0.091 0.000 2.918 448 T HA 0.241 4.591 4.350 0.000 0.000 0.302 448 T C 0.764 175.211 174.700 -0.421 0.000 1.045 448 T CA 0.254 62.163 62.100 -0.318 0.000 1.114 448 T CB 0.668 69.229 68.868 -0.512 0.000 0.965 448 T HN 0.063 nan 8.240 nan 0.000 0.540 449 I N 3.210 123.501 120.570 -0.464 0.000 2.339 449 I HA 0.351 4.521 4.170 0.000 0.000 0.290 449 I C -0.864 174.998 176.117 -0.425 0.000 0.994 449 I CA -0.647 60.478 61.300 -0.292 0.000 1.191 449 I CB 0.926 38.847 38.000 -0.131 0.000 1.343 449 I HN 0.509 nan 8.210 nan 0.000 0.458 450 F N 5.950 125.916 119.950 0.027 0.000 2.361 450 F HA 0.381 4.908 4.527 0.000 0.000 0.364 450 F C 0.078 175.891 175.800 0.020 0.000 1.117 450 F CA -0.879 57.139 58.000 0.029 0.000 1.071 450 F CB 1.280 40.303 39.000 0.038 0.000 1.188 450 F HN 0.015 nan 8.300 nan 0.000 0.464 451 V N 5.643 125.646 119.914 0.148 0.000 2.304 451 V HA 0.265 4.385 4.120 0.000 0.000 0.269 451 V C 0.099 176.219 176.094 0.042 0.000 1.036 451 V CA -0.568 61.780 62.300 0.080 0.000 0.840 451 V CB 0.565 32.423 31.823 0.059 0.000 1.036 451 V HN 0.425 nan 8.190 nan 0.000 0.466 452 I N 6.030 126.584 120.570 -0.027 0.000 2.337 452 I HA 0.294 4.464 4.170 0.000 0.000 0.291 452 I C 0.288 176.312 176.117 -0.155 0.000 1.046 452 I CA -0.301 60.900 61.300 -0.166 0.000 1.324 452 I CB 1.201 38.932 38.000 -0.448 0.000 1.409 452 I HN 0.439 nan 8.210 nan 0.000 0.494 453 M N 5.884 125.422 119.600 -0.104 0.000 2.201 453 M HA 0.147 4.627 4.480 0.000 0.000 0.345 453 M C 0.153 176.411 176.300 -0.071 0.000 1.352 453 M CA -0.052 55.207 55.300 -0.067 0.000 1.218 453 M CB -0.507 32.084 32.600 -0.015 0.000 1.512 453 M HN 0.361 nan 8.290 nan 0.000 0.447 454 N N 3.804 122.465 118.700 -0.066 0.000 2.485 454 N HA 0.169 4.909 4.740 0.000 0.000 0.243 454 N C -0.115 175.415 175.510 0.034 0.000 0.987 454 N CA -0.086 52.957 53.050 -0.011 0.000 0.940 454 N CB 0.477 38.981 38.487 0.028 0.000 1.122 454 N HN 0.497 nan 8.380 nan 0.000 0.509 455 N N 2.026 120.759 118.700 0.055 0.000 2.197 455 N HA 0.162 4.903 4.740 0.000 0.000 0.228 455 N C 0.879 176.427 175.510 0.064 0.000 1.212 455 N CA 0.058 53.141 53.050 0.055 0.000 0.883 455 N CB 0.037 38.561 38.487 0.061 0.000 1.107 455 N HN 0.455 nan 8.380 nan 0.000 0.519 456 G N -0.875 107.972 108.800 0.078 0.000 2.233 456 G HA2 -0.261 3.700 3.960 0.000 0.000 0.270 456 G HA3 -0.261 3.700 3.960 0.000 0.000 0.270 456 G C -0.020 174.891 174.900 0.018 0.000 1.011 456 G CA 1.056 46.191 45.100 0.058 0.000 0.762 456 G HN 0.804 nan 8.290 nan 0.000 0.511 457 T N -1.991 112.586 114.554 0.038 0.000 2.802 457 T HA 0.498 4.848 4.350 0.000 0.000 0.311 457 T C -0.533 174.246 174.700 0.132 0.000 1.405 457 T CA -0.629 61.484 62.100 0.022 0.000 1.016 457 T CB 0.888 69.800 68.868 0.073 0.000 1.352 457 T HN 0.242 nan 8.240 nan 0.000 0.498 458 Y N 2.595 122.984 120.300 0.147 0.000 2.623 458 Y HA 0.231 4.781 4.550 0.000 0.000 0.341 458 Y C 1.903 177.916 175.900 0.187 0.000 1.292 458 Y CA -0.536 57.668 58.100 0.174 0.000 1.840 458 Y CB -0.024 38.540 38.460 0.172 0.000 1.865 458 Y HN 0.963 nan 8.280 nan 0.000 0.440 459 G N 1.470 110.463 108.800 0.322 0.000 2.599 459 G HA2 -0.436 3.524 3.960 0.000 0.000 0.219 459 G HA3 -0.436 3.524 3.960 0.000 0.000 0.219 459 G C 1.841 176.929 174.900 0.314 0.000 1.193 459 G CA 1.201 46.463 45.100 0.269 0.000 0.778 459 G HN 0.646 nan 8.290 nan 0.000 0.589 460 A N 0.419 123.431 122.820 0.321 0.000 1.917 460 A HA -0.032 4.289 4.320 0.000 0.000 0.219 460 A C 2.501 180.416 177.584 0.552 0.000 1.182 460 A CA 1.716 53.990 52.037 0.395 0.000 0.633 460 A CB -0.437 18.782 19.000 0.366 0.000 0.819 460 A HN 0.409 nan 8.150 nan 0.000 0.448 461 L N -1.521 119.958 121.223 0.426 0.000 2.093 461 L HA -0.164 4.177 4.340 0.000 0.000 0.208 461 L C 2.820 179.910 176.870 0.367 0.000 1.085 461 L CA 1.384 56.457 54.840 0.388 0.000 0.755 461 L CB -0.568 41.651 42.059 0.266 0.000 0.904 461 L HN 0.381 nan 8.230 nan 0.000 0.435 462 R N -0.927 119.769 120.500 0.325 0.000 2.120 462 R HA -0.224 4.116 4.340 0.000 0.000 0.234 462 R C 2.083 178.532 176.300 0.248 0.000 1.123 462 R CA 1.812 58.060 56.100 0.247 0.000 0.975 462 R CB -0.356 30.074 30.300 0.217 0.000 0.866 462 R HN 0.415 nan 8.270 nan 0.000 0.446 463 W N 0.559 121.942 121.300 0.139 0.000 2.378 463 W HA -0.126 4.534 4.660 0.000 0.000 0.313 463 W C 1.552 178.085 176.519 0.023 0.000 1.197 463 W CA 1.223 58.596 57.345 0.046 0.000 1.304 463 W CB -0.575 28.875 29.460 -0.016 0.000 1.148 463 W HN -0.102 nan 8.180 nan 0.000 0.494 464 F N 0.914 120.947 119.950 0.139 0.000 2.202 464 F HA -0.203 4.324 4.527 0.000 0.000 0.301 464 F C 2.572 178.286 175.800 -0.144 0.000 1.082 464 F CA 2.061 60.006 58.000 -0.092 0.000 1.313 464 F CB -1.232 37.841 39.000 0.122 0.000 1.024 464 F HN 0.005 nan 8.300 nan 0.000 0.495 465 A N 0.284 123.188 122.820 0.140 0.000 1.917 465 A HA -0.159 4.161 4.320 0.000 0.000 0.219 465 A C 2.566 180.125 177.584 -0.041 0.000 1.182 465 A CA 1.974 54.049 52.037 0.065 0.000 0.633 465 A CB -1.612 17.442 19.000 0.089 0.000 0.819 465 A HN 0.417 nan 8.150 nan 0.000 0.448 466 G N -0.246 108.474 108.800 -0.134 0.000 2.433 466 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 466 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 466 G C 1.669 176.416 174.900 -0.255 0.000 1.186 466 G CA 2.176 47.159 45.100 -0.194 0.000 0.779 466 G HN 1.053 nan 8.290 nan 0.000 0.543 467 V N -0.730 118.919 119.914 -0.442 0.000 2.343 467 V HA 0.035 4.155 4.120 0.000 0.000 0.247 467 V C 2.622 178.613 176.094 -0.171 0.000 1.051 467 V CA 1.504 63.574 62.300 -0.384 0.000 1.036 467 V CB -0.577 30.868 31.823 -0.630 0.000 0.654 467 V HN 0.269 nan 8.190 nan 0.000 0.451 468 L N 0.145 121.310 121.223 -0.097 0.000 2.610 468 L HA 0.164 4.505 4.340 0.000 0.000 0.232 468 L C 0.929 177.789 176.870 -0.018 0.000 1.149 468 L CA 0.574 55.409 54.840 -0.009 0.000 0.872 468 L CB -0.890 41.202 42.059 0.055 0.000 0.992 468 L HN 0.502 nan 8.230 nan 0.000 0.447 469 E N -0.248 119.925 120.200 -0.045 0.000 2.240 469 E HA -0.207 4.143 4.350 0.000 0.000 0.194 469 E C -0.050 176.546 176.600 -0.008 0.000 1.385 469 E CA 0.222 56.603 56.400 -0.031 0.000 0.686 469 E CB -1.129 28.555 29.700 -0.027 0.000 1.125 469 E HN 0.445 nan 8.360 nan 0.000 0.359 470 A N 2.024 124.846 122.820 0.003 0.000 2.331 470 A HA 0.587 4.907 4.320 0.000 0.000 0.320 470 A C -0.086 177.512 177.584 0.023 0.000 1.138 470 A CA -0.606 51.441 52.037 0.018 0.000 0.790 470 A CB 1.108 20.128 19.000 0.033 0.000 1.206 470 A HN 0.245 nan 8.150 nan 0.000 0.470 471 E N 1.315 121.528 120.200 0.022 0.000 2.299 471 E HA 0.403 4.753 4.350 0.000 0.000 0.265 471 E C -0.723 175.894 176.600 0.028 0.000 0.911 471 E CA -1.222 55.193 56.400 0.025 0.000 0.789 471 E CB 1.151 30.861 29.700 0.018 0.000 1.246 471 E HN 0.667 nan 8.360 nan 0.000 0.427 472 N N -0.294 118.425 118.700 0.031 0.000 2.754 472 N HA -0.143 4.597 4.740 0.000 0.000 0.248 472 N C -0.931 174.601 175.510 0.038 0.000 1.093 472 N CA 0.413 53.482 53.050 0.031 0.000 0.699 472 N CB -1.268 37.233 38.487 0.024 0.000 1.016 472 N HN 0.146 nan 8.380 nan 0.000 0.552 473 V N 2.118 122.061 119.914 0.048 0.000 2.432 473 V HA 0.298 4.418 4.120 0.000 0.000 0.271 473 V C -0.815 175.319 176.094 0.066 0.000 1.046 473 V CA -0.865 61.471 62.300 0.059 0.000 0.945 473 V CB 1.264 33.130 31.823 0.073 0.000 0.992 473 V HN 0.135 nan 8.190 nan 0.000 0.471 474 P HA 0.301 nan 4.420 nan 0.000 0.277 474 P C 0.643 177.998 177.300 0.091 0.000 1.271 474 P CA 0.234 63.373 63.100 0.064 0.000 0.795 474 P CB 0.804 32.534 31.700 0.050 0.000 1.101 475 G N 0.027 108.878 108.800 0.085 0.000 2.341 475 G HA2 -0.237 3.723 3.960 0.000 0.000 0.292 475 G HA3 -0.237 3.723 3.960 0.000 0.000 0.292 475 G C 0.528 175.541 174.900 0.190 0.000 1.021 475 G CA 0.474 45.645 45.100 0.117 0.000 0.905 475 G HN 0.483 nan 8.290 nan 0.000 0.508 476 L N -1.080 120.232 121.223 0.148 0.000 2.554 476 L HA 0.254 4.594 4.340 0.000 0.000 0.225 476 L C 0.366 177.255 176.870 0.032 0.000 1.104 476 L CA 0.080 55.048 54.840 0.212 0.000 0.866 476 L CB 0.088 42.260 42.059 0.189 0.000 1.047 476 L HN 0.134 nan 8.230 nan 0.000 0.468 477 D N 0.491 120.857 120.400 -0.057 0.000 2.248 477 D HA 0.328 4.968 4.640 0.000 0.000 0.246 477 D C -0.038 176.132 176.300 -0.217 0.000 1.027 477 D CA -0.078 53.849 54.000 -0.121 0.000 0.853 477 D CB 3.053 43.831 40.800 -0.037 0.000 1.243 477 D HN -0.196 nan 8.370 nan 0.000 0.462 478 V N -0.708 119.064 119.914 -0.236 0.000 2.468 478 V HA 0.356 4.476 4.120 0.000 0.000 0.256 478 V C -2.522 173.524 176.094 -0.080 0.000 0.998 478 V CA -1.369 60.810 62.300 -0.202 0.000 1.114 478 V CB 0.475 32.116 31.823 -0.303 0.000 1.378 478 V HN 0.314 nan 8.190 nan 0.000 0.573 479 P HA 0.440 nan 4.420 nan 0.000 0.276 479 P C 0.810 178.085 177.300 -0.040 0.000 1.261 479 P CA 0.932 64.017 63.100 -0.026 0.000 0.800 479 P CB 1.377 33.065 31.700 -0.020 0.000 1.066 480 G N 0.075 108.853 108.800 -0.035 0.000 2.198 480 G HA2 -0.187 3.773 3.960 0.000 0.000 0.257 480 G HA3 -0.187 3.773 3.960 0.000 0.000 0.257 480 G C -0.175 174.657 174.900 -0.114 0.000 1.042 480 G CA -0.146 44.918 45.100 -0.060 0.000 0.791 480 G HN 0.488 nan 8.290 nan 0.000 0.502 481 I N 0.495 120.972 120.570 -0.155 0.000 2.389 481 I HA 0.286 4.457 4.170 0.000 0.000 0.288 481 I C -0.722 175.129 176.117 -0.444 0.000 0.999 481 I CA -0.818 60.260 61.300 -0.369 0.000 1.129 481 I CB 1.804 39.472 38.000 -0.553 0.000 1.288 481 I HN 0.025 nan 8.210 nan 0.000 0.444 482 D N 6.454 126.626 120.400 -0.380 0.000 2.456 482 D HA 0.206 4.846 4.640 0.000 0.000 0.219 482 D C 0.597 176.733 176.300 -0.273 0.000 1.126 482 D CA -0.289 53.579 54.000 -0.220 0.000 0.890 482 D CB 0.571 41.302 40.800 -0.115 0.000 1.025 482 D HN 0.298 nan 8.370 nan 0.000 0.511 483 F N 1.992 121.950 119.950 0.014 0.000 2.293 483 F HA 0.009 4.536 4.527 0.000 0.000 0.300 483 F C 2.362 178.173 175.800 0.018 0.000 1.086 483 F CA 0.504 58.516 58.000 0.020 0.000 1.375 483 F CB 0.019 39.040 39.000 0.035 0.000 1.045 483 F HN 0.230 nan 8.300 nan 0.000 0.516 484 R N 0.181 120.777 120.500 0.159 0.000 2.092 484 R HA -0.066 4.274 4.340 0.000 0.000 0.231 484 R C 2.479 178.806 176.300 0.045 0.000 1.119 484 R CA 1.113 57.272 56.100 0.099 0.000 0.970 484 R CB -0.666 29.681 30.300 0.077 0.000 0.864 484 R HN 0.261 nan 8.270 nan 0.000 0.440 485 A N 0.997 123.819 122.820 0.004 0.000 1.902 485 A HA -0.115 4.205 4.320 0.000 0.000 0.217 485 A C 2.118 179.671 177.584 -0.052 0.000 1.181 485 A CA 1.116 53.132 52.037 -0.035 0.000 0.623 485 A CB -0.531 18.430 19.000 -0.065 0.000 0.818 485 A HN 0.178 nan 8.150 nan 0.000 0.443 486 L N -0.785 120.407 121.223 -0.051 0.000 2.046 486 L HA -0.210 4.130 4.340 0.000 0.000 0.208 486 L C 3.119 180.002 176.870 0.022 0.000 1.077 486 L CA 1.090 55.905 54.840 -0.041 0.000 0.747 486 L CB -0.607 41.450 42.059 -0.004 0.000 0.896 486 L HN 0.452 nan 8.230 nan 0.000 0.432 487 A N 0.143 123.005 122.820 0.070 0.000 1.902 487 A HA -0.265 4.055 4.320 0.000 0.000 0.217 487 A C 2.413 180.037 177.584 0.066 0.000 1.181 487 A CA 2.034 54.124 52.037 0.088 0.000 0.623 487 A CB -0.475 18.578 19.000 0.089 0.000 0.818 487 A HN 0.348 nan 8.150 nan 0.000 0.443 488 K N -0.563 119.853 120.400 0.027 0.000 2.057 488 K HA -0.112 4.208 4.320 0.000 0.000 0.207 488 K C 2.028 178.613 176.600 -0.024 0.000 1.049 488 K CA 1.402 57.694 56.287 0.009 0.000 0.931 488 K CB -0.592 31.905 32.500 -0.006 0.000 0.714 488 K HN 0.378 nan 8.250 nan 0.000 0.440 489 G N -0.187 108.551 108.800 -0.104 0.000 2.475 489 G HA2 -0.251 3.710 3.960 0.000 0.000 0.220 489 G HA3 -0.251 3.710 3.960 0.000 0.000 0.220 489 G C 0.846 175.579 174.900 -0.279 0.000 1.125 489 G CA 0.938 45.885 45.100 -0.256 0.000 0.755 489 G HN 0.450 nan 8.290 nan 0.000 0.565 490 Y N -0.031 120.326 120.300 0.096 0.000 2.607 490 Y HA 0.377 4.927 4.550 0.000 0.000 0.266 490 Y C 1.752 177.730 175.900 0.130 0.000 1.178 490 Y CA -0.216 57.999 58.100 0.190 0.000 1.226 490 Y CB 0.693 39.269 38.460 0.193 0.000 1.144 490 Y HN 0.261 nan 8.280 nan 0.000 0.528 491 G N 0.903 109.805 108.800 0.170 0.000 2.198 491 G HA2 -0.251 3.709 3.960 0.000 0.000 0.257 491 G HA3 -0.251 3.709 3.960 0.000 0.000 0.257 491 G C -0.490 174.448 174.900 0.065 0.000 1.042 491 G CA 0.193 45.347 45.100 0.090 0.000 0.791 491 G HN 0.146 nan 8.290 nan 0.000 0.502 492 V N 0.513 120.478 119.914 0.085 0.000 2.459 492 V HA 0.412 4.532 4.120 0.000 0.000 0.295 492 V C 0.833 176.973 176.094 0.076 0.000 1.029 492 V CA -0.738 61.610 62.300 0.080 0.000 0.874 492 V CB 1.875 33.751 31.823 0.088 0.000 0.985 492 V HN 0.519 nan 8.190 nan 0.000 0.438 493 Q N 2.561 122.405 119.800 0.073 0.000 2.283 493 Q HA 0.372 4.712 4.340 0.000 0.000 0.301 493 Q C -0.170 175.878 176.000 0.080 0.000 1.063 493 Q CA 0.187 56.029 55.803 0.065 0.000 0.952 493 Q CB 0.756 29.529 28.738 0.058 0.000 1.166 493 Q HN 0.943 nan 8.270 nan 0.000 0.381 494 A N 4.911 127.773 122.820 0.069 0.000 2.374 494 A HA 0.793 5.114 4.320 0.000 0.000 0.317 494 A C -1.326 176.298 177.584 0.066 0.000 1.094 494 A CA -0.706 51.378 52.037 0.079 0.000 0.765 494 A CB 1.149 20.196 19.000 0.080 0.000 1.268 494 A HN 0.738 nan 8.150 nan 0.000 0.438 495 L N 0.538 121.804 121.223 0.071 0.000 2.376 495 L HA 0.677 5.018 4.340 0.000 0.000 0.258 495 L C -0.512 176.394 176.870 0.059 0.000 1.013 495 L CA -1.038 53.836 54.840 0.057 0.000 0.822 495 L CB 2.511 44.600 42.059 0.050 0.000 1.388 495 L HN 0.716 nan 8.230 nan 0.000 0.413 496 K N 1.221 121.649 120.400 0.047 0.000 2.316 496 K HA 0.831 5.151 4.320 0.000 0.000 0.251 496 K C -1.330 175.289 176.600 0.032 0.000 0.934 496 K CA -0.302 56.012 56.287 0.045 0.000 0.802 496 K CB 2.177 34.704 32.500 0.044 0.000 1.171 496 K HN 0.631 nan 8.250 nan 0.000 0.426 497 A N 3.684 126.519 122.820 0.026 0.000 2.522 497 A HA 0.330 4.650 4.320 0.000 0.000 0.285 497 A C -0.806 176.783 177.584 0.008 0.000 1.198 497 A CA -0.615 51.430 52.037 0.014 0.000 0.742 497 A CB 0.474 19.479 19.000 0.008 0.000 1.176 497 A HN 0.833 nan 8.150 nan 0.000 0.444 498 D N 1.032 121.438 120.400 0.009 0.000 2.350 498 D HA 0.054 4.694 4.640 0.000 0.000 0.213 498 D C 0.102 176.400 176.300 -0.004 0.000 1.031 498 D CA 0.909 54.911 54.000 0.003 0.000 0.861 498 D CB 0.412 41.217 40.800 0.008 0.000 0.926 498 D HN 0.791 nan 8.370 nan 0.000 0.520 499 N N -1.178 117.520 118.700 -0.002 0.000 3.020 499 N HA 0.059 4.799 4.740 0.000 0.000 0.248 499 N C 0.271 175.782 175.510 0.001 0.000 1.480 499 N CA -0.741 52.307 53.050 -0.003 0.000 0.874 499 N CB 1.071 39.560 38.487 0.003 0.000 1.433 499 N HN -0.248 nan 8.380 nan 0.000 0.530 500 L N 0.018 121.244 121.223 0.005 0.000 2.043 500 L HA -0.037 4.303 4.340 0.000 0.000 0.212 500 L C 1.677 178.554 176.870 0.011 0.000 1.075 500 L CA 2.047 56.893 54.840 0.009 0.000 0.752 500 L CB -0.907 41.163 42.059 0.018 0.000 0.891 500 L HN 0.660 nan 8.230 nan 0.000 0.432 501 E N -0.417 119.790 120.200 0.012 0.000 2.110 501 E HA -0.238 4.112 4.350 0.000 0.000 0.193 501 E C 2.204 178.811 176.600 0.012 0.000 0.988 501 E CA 1.331 57.739 56.400 0.012 0.000 0.804 501 E CB -0.243 29.464 29.700 0.012 0.000 0.745 501 E HN 0.688 nan 8.360 nan 0.000 0.458 502 Q N 0.034 119.841 119.800 0.011 0.000 2.119 502 Q HA -0.117 4.223 4.340 0.000 0.000 0.201 502 Q C 2.261 178.268 176.000 0.012 0.000 0.972 502 Q CA 0.660 56.470 55.803 0.012 0.000 0.847 502 Q CB -0.122 28.623 28.738 0.012 0.000 0.903 502 Q HN 0.120 nan 8.270 nan 0.000 0.433 503 L N 1.381 122.609 121.223 0.008 0.000 1.994 503 L HA -0.219 4.121 4.340 0.000 0.000 0.208 503 L C 1.852 178.730 176.870 0.012 0.000 1.071 503 L CA 1.919 56.763 54.840 0.007 0.000 0.745 503 L CB -0.297 41.761 42.059 -0.002 0.000 0.892 503 L HN -0.011 nan 8.230 nan 0.000 0.431 504 K N -0.647 119.761 120.400 0.013 0.000 2.032 504 K HA -0.137 4.183 4.320 0.000 0.000 0.209 504 K C 2.009 178.619 176.600 0.016 0.000 1.048 504 K CA 1.365 57.662 56.287 0.016 0.000 0.927 504 K CB -0.841 31.669 32.500 0.016 0.000 0.712 504 K HN 0.578 nan 8.250 nan 0.000 0.441 505 G N 0.767 109.576 108.800 0.015 0.000 2.421 505 G HA2 -0.251 3.709 3.960 0.000 0.000 0.216 505 G HA3 -0.251 3.709 3.960 0.000 0.000 0.216 505 G C 1.553 176.464 174.900 0.018 0.000 1.171 505 G CA 1.010 46.119 45.100 0.016 0.000 0.775 505 G HN 0.198 nan 8.290 nan 0.000 0.543 506 S N 0.563 116.275 115.700 0.019 0.000 2.348 506 S HA -0.042 4.428 4.470 0.000 0.000 0.221 506 S C 2.314 176.928 174.600 0.024 0.000 1.033 506 S CA 0.965 59.179 58.200 0.024 0.000 1.010 506 S CB -0.367 62.848 63.200 0.026 0.000 0.891 506 S HN 0.293 nan 8.310 nan 0.000 0.442 507 L N 1.302 122.538 121.223 0.022 0.000 2.012 507 L HA -0.235 4.105 4.340 0.000 0.000 0.210 507 L C 2.902 179.783 176.870 0.018 0.000 1.073 507 L CA 1.662 56.515 54.840 0.022 0.000 0.748 507 L CB -0.537 41.538 42.059 0.025 0.000 0.891 507 L HN 0.417 nan 8.230 nan 0.000 0.431 508 Q N -0.022 119.788 119.800 0.017 0.000 2.096 508 Q HA -0.289 4.051 4.340 0.000 0.000 0.204 508 Q C 2.128 178.135 176.000 0.012 0.000 0.982 508 Q CA 2.025 57.836 55.803 0.013 0.000 0.850 508 Q CB -0.011 28.735 28.738 0.013 0.000 0.901 508 Q HN 0.473 nan 8.270 nan 0.000 0.422 509 E N -0.699 119.510 120.200 0.015 0.000 2.072 509 E HA -0.179 4.171 4.350 0.000 0.000 0.191 509 E C 1.837 178.447 176.600 0.017 0.000 0.985 509 E CA 0.858 57.268 56.400 0.016 0.000 0.801 509 E CB -0.130 29.582 29.700 0.020 0.000 0.750 509 E HN 0.472 nan 8.360 nan 0.000 0.452 510 A N 1.072 123.904 122.820 0.019 0.000 1.858 510 A HA -0.183 4.137 4.320 0.000 0.000 0.216 510 A C 2.077 179.664 177.584 0.005 0.000 1.190 510 A CA 1.096 53.144 52.037 0.019 0.000 0.617 510 A CB -0.697 18.317 19.000 0.023 0.000 0.827 510 A HN 0.284 nan 8.150 nan 0.000 0.443 511 L N 0.852 122.075 121.223 0.000 0.000 2.021 511 L HA -0.197 4.143 4.340 0.000 0.000 0.215 511 L C 2.891 179.757 176.870 -0.008 0.000 1.074 511 L CA 2.648 57.483 54.840 -0.009 0.000 0.760 511 L CB -1.100 40.955 42.059 -0.006 0.000 0.889 511 L HN 0.626 nan 8.230 nan 0.000 0.433 512 S N -1.556 114.144 115.700 -0.001 0.000 2.527 512 S HA 0.250 4.720 4.470 0.000 0.000 0.222 512 S C 1.095 175.697 174.600 0.003 0.000 0.985 512 S CA 0.085 58.285 58.200 0.000 0.000 0.921 512 S CB -0.463 62.738 63.200 0.003 0.000 0.772 512 S HN 0.307 nan 8.310 nan 0.000 0.529 513 A N 2.040 124.864 122.820 0.006 0.000 2.483 513 A HA 0.379 4.699 4.320 0.000 0.000 0.238 513 A C 1.147 178.735 177.584 0.007 0.000 1.070 513 A CA -0.383 51.660 52.037 0.010 0.000 0.770 513 A CB 0.325 19.337 19.000 0.019 0.000 1.008 513 A HN 0.244 nan 8.150 nan 0.000 0.497 514 K N 1.324 121.729 120.400 0.008 0.000 2.400 514 K HA 0.103 4.423 4.320 0.000 0.000 0.194 514 K C 0.928 177.534 176.600 0.009 0.000 1.033 514 K CA 0.955 57.246 56.287 0.006 0.000 1.021 514 K CB 0.176 32.679 32.500 0.004 0.000 0.808 514 K HN 0.759 nan 8.250 nan 0.000 0.505 515 G N 1.991 110.802 108.800 0.017 0.000 3.140 515 G HA2 0.408 4.368 3.960 0.000 0.000 0.271 515 G HA3 0.408 4.368 3.960 0.000 0.000 0.271 515 G C -2.908 172.020 174.900 0.046 0.000 1.370 515 G CA -1.311 43.805 45.100 0.026 0.000 1.014 515 G HN -0.205 nan 8.290 nan 0.000 0.541 516 P HA 0.353 nan 4.420 nan 0.000 0.271 516 P C -0.845 176.552 177.300 0.161 0.000 1.218 516 P CA -0.087 63.101 63.100 0.147 0.000 0.780 516 P CB 1.657 33.509 31.700 0.254 0.000 0.901 517 V N 3.581 123.613 119.914 0.197 0.000 2.808 517 V HA 0.368 4.488 4.120 0.000 0.000 0.308 517 V C -0.073 176.186 176.094 0.275 0.000 1.099 517 V CA -0.758 61.649 62.300 0.178 0.000 0.920 517 V CB 2.178 34.059 31.823 0.096 0.000 1.014 517 V HN 0.477 nan 8.190 nan 0.000 0.425 518 L N 5.559 126.923 121.223 0.234 0.000 2.322 518 L HA 0.719 5.060 4.340 0.000 0.000 0.281 518 L C -1.149 175.810 176.870 0.148 0.000 1.014 518 L CA -0.379 54.605 54.840 0.239 0.000 0.815 518 L CB 1.355 43.519 42.059 0.174 0.000 1.247 518 L HN 0.613 nan 8.230 nan 0.000 0.421 519 I N 4.569 125.214 120.570 0.125 0.000 2.382 519 I HA 0.312 4.482 4.170 0.000 0.000 0.286 519 I C -0.364 175.784 176.117 0.052 0.000 1.002 519 I CA -0.455 60.892 61.300 0.079 0.000 1.135 519 I CB 1.838 39.873 38.000 0.057 0.000 1.288 519 I HN 0.617 nan 8.210 nan 0.000 0.448 520 E N 6.388 126.623 120.200 0.058 0.000 2.105 520 E HA 0.352 4.702 4.350 0.000 0.000 0.285 520 E C -1.248 175.362 176.600 0.018 0.000 1.055 520 E CA -0.490 55.931 56.400 0.036 0.000 0.843 520 E CB 1.174 30.949 29.700 0.124 0.000 1.067 520 E HN 0.358 nan 8.360 nan 0.000 0.398 521 V N 3.899 123.801 119.914 -0.020 0.000 2.394 521 V HA 0.154 4.275 4.120 0.000 0.000 0.282 521 V C -0.018 176.063 176.094 -0.021 0.000 1.031 521 V CA -0.724 61.563 62.300 -0.022 0.000 0.881 521 V CB 1.660 33.456 31.823 -0.046 0.000 0.982 521 V HN 0.620 nan 8.190 nan 0.000 0.451 522 S N 3.884 119.578 115.700 -0.011 0.000 2.405 522 S HA 0.384 4.854 4.470 0.000 0.000 0.291 522 S C 0.502 175.082 174.600 -0.034 0.000 1.137 522 S CA -0.514 57.681 58.200 -0.008 0.000 1.061 522 S CB 0.343 63.542 63.200 -0.000 0.000 1.001 522 S HN 0.974 nan 8.310 nan 0.000 0.507 523 T N -0.636 113.898 114.554 -0.033 0.000 2.952 523 T HA 0.672 5.022 4.350 0.000 0.000 0.286 523 T C 0.279 174.947 174.700 -0.053 0.000 1.024 523 T CA -1.006 61.062 62.100 -0.055 0.000 1.029 523 T CB 0.966 69.810 68.868 -0.040 0.000 1.094 523 T HN 0.397 nan 8.240 nan 0.000 0.515 524 V N -0.691 119.167 119.914 -0.093 0.000 2.649 524 V HA 0.755 4.875 4.120 0.000 0.000 0.292 524 V C 0.725 176.820 176.094 0.002 0.000 1.055 524 V CA -0.291 61.961 62.300 -0.080 0.000 1.023 524 V CB -0.391 31.317 31.823 -0.191 0.000 0.992 524 V HN 1.390 nan 8.190 nan 0.000 0.480 525 S N 0.000 115.715 115.700 0.025 0.000 2.498 525 S HA 0.000 4.470 4.470 0.000 0.000 0.327 525 S CA 0.000 58.236 58.200 0.061 0.000 1.107 525 S CB 0.000 63.235 63.200 0.058 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517