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 1q55_1_A DATA FIRST_RESID 1 DATA SEQUENCE DWVIPPIKVS ENERGPFPKR LVQIKSNKDR FNKVYYSITG QGADNPPQGV DATA SEQUENCE FRIEWETGWM LVTRPLDREE YDKYVLSSHA VSENGSPVEE PMEITINVID DATA SEQUENCE QNDNRPKFTQ DVFRGSVREG VQPGTQVMAV SATDEDDNID SLNGVLSYSI DATA SEQUENCE LKQDPEEPIP NLFTINRETG VISLIGTGLD REKFPEYTLT VQATDLEGAG DATA SEQUENCE LSVEGKAIIQ ITDANDNAPI FDPKTYTALV PENEIGFEVQ RLSVTDLDMP DATA SEQUENCE GTPAWQAVYK IRVNEGGFFN ITTDPESNQG ILTTAKGLDF ELRKQYVLQI DATA SEQUENCE TVENAEPFSV PLPTSTATVT VTVEDVNEAP FFVPAVSRVD VSEDLSRGEK DATA SEQUENCE IISLVAQDPD KQQIQKLSYF IGNDPARWLT VNKDNGIVTG NGNLDRESEY DATA SEQUENCE VKNNTYTVIM LVTDDGVSVG TGTGTLILHV LDVNDNGPVP SPRVFTMcDQ DATA SEQUENCE NPEPQVLTIS DADIPPNTYP YKVSLSHGSD LTWKAELDSK GTSMLLSPTQ DATA SEQUENCE QLKKGDYSIY VLLSDAQNNP QLTVVNATVc ScEGKAIKcQ 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 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.262 176.300 -0.063 0.000 2.045 1 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 1 D CB 0.000 40.839 40.800 0.065 0.000 0.688 2 W N 2.190 123.483 121.300 -0.010 0.000 2.289 2 W HA 0.433 5.093 4.660 0.000 0.000 0.342 2 W C 0.756 177.265 176.519 -0.017 0.000 0.958 2 W CA -0.631 56.706 57.345 -0.013 0.000 1.492 2 W CB 0.602 30.054 29.460 -0.014 0.000 1.336 2 W HN 0.281 nan 8.180 nan 0.000 0.371 3 V N 1.835 121.881 119.914 0.220 0.000 4.690 3 V HA 0.397 4.517 4.120 0.000 0.000 0.267 3 V C -0.003 176.158 176.094 0.111 0.000 1.088 3 V CA -0.392 61.984 62.300 0.127 0.000 0.686 3 V CB 0.313 32.176 31.823 0.066 0.000 1.152 3 V HN 0.315 nan 8.190 nan 0.000 0.353 4 I N 0.882 121.489 120.570 0.061 0.000 2.563 4 I HA 0.547 4.717 4.170 0.000 0.000 0.285 4 I C -2.733 173.399 176.117 0.025 0.000 1.123 4 I CA -2.016 59.304 61.300 0.034 0.000 1.059 4 I CB 1.864 39.866 38.000 0.004 0.000 1.229 4 I HN 0.605 nan 8.210 nan 0.000 0.442 5 P HA 0.232 nan 4.420 nan 0.000 0.266 5 P C -2.547 174.761 177.300 0.013 0.000 1.193 5 P CA -0.477 62.639 63.100 0.026 0.000 0.770 5 P CB -0.394 31.324 31.700 0.030 0.000 0.836 6 P HA 0.176 nan 4.420 nan 0.000 0.269 6 P C -0.535 176.771 177.300 0.011 0.000 1.215 6 P CA 0.228 63.333 63.100 0.009 0.000 0.780 6 P CB 0.373 32.083 31.700 0.016 0.000 0.898 7 I N 1.901 122.474 120.570 0.006 0.000 2.354 7 I HA 0.219 4.389 4.170 0.000 0.000 0.286 7 I C 0.045 176.178 176.117 0.028 0.000 1.007 7 I CA -1.207 60.102 61.300 0.014 0.000 1.167 7 I CB 1.077 39.081 38.000 0.007 0.000 1.320 7 I HN 0.151 nan 8.210 nan 0.000 0.458 8 K N 5.799 126.220 120.400 0.034 0.000 2.350 8 K HA 0.552 4.872 4.320 0.000 0.000 0.279 8 K C -0.613 176.017 176.600 0.051 0.000 1.027 8 K CA -0.453 55.859 56.287 0.043 0.000 0.969 8 K CB 0.769 33.291 32.500 0.037 0.000 0.954 8 K HN 0.310 nan 8.250 nan 0.000 0.474 9 V N 0.996 120.948 119.914 0.063 0.000 2.808 9 V HA 0.336 4.456 4.120 0.000 0.000 0.308 9 V C -0.214 175.922 176.094 0.071 0.000 1.099 9 V CA -1.025 61.319 62.300 0.072 0.000 0.920 9 V CB 2.119 33.998 31.823 0.095 0.000 1.014 9 V HN 0.877 nan 8.190 nan 0.000 0.425 10 S N 2.169 117.907 115.700 0.063 0.000 2.614 10 S HA 0.361 4.831 4.470 0.000 0.000 0.265 10 S C -0.186 174.456 174.600 0.070 0.000 1.303 10 S CA -0.314 57.921 58.200 0.059 0.000 1.000 10 S CB 0.966 64.194 63.200 0.046 0.000 0.935 10 S HN 0.898 nan 8.310 nan 0.000 0.551 11 E N 1.206 121.445 120.200 0.065 0.000 2.248 11 E HA 0.255 4.605 4.350 0.000 0.000 0.272 11 E C -0.632 176.005 176.600 0.061 0.000 1.008 11 E CA -0.393 56.048 56.400 0.068 0.000 0.856 11 E CB 0.236 29.975 29.700 0.066 0.000 1.120 11 E HN 0.833 nan 8.360 nan 0.000 0.397 12 N N 1.775 120.512 118.700 0.061 0.000 2.725 12 N HA -0.229 4.511 4.740 0.000 0.000 0.251 12 N C -0.750 174.804 175.510 0.074 0.000 1.031 12 N CA 0.576 53.661 53.050 0.058 0.000 0.720 12 N CB -0.726 37.788 38.487 0.045 0.000 0.930 12 N HN 0.624 nan 8.380 nan 0.000 0.543 13 E N 0.949 121.212 120.200 0.105 0.000 2.374 13 E HA 0.415 4.765 4.350 0.000 0.000 0.260 13 E C 0.070 176.778 176.600 0.180 0.000 1.101 13 E CA -0.326 56.151 56.400 0.128 0.000 0.907 13 E CB 0.669 30.471 29.700 0.170 0.000 1.014 13 E HN 0.247 nan 8.360 nan 0.000 0.427 14 R N 1.197 121.758 120.500 0.102 0.000 2.725 14 R HA 0.446 4.786 4.340 0.000 0.000 0.276 14 R C -1.126 175.135 176.300 -0.064 0.000 1.189 14 R CA 0.316 56.470 56.100 0.091 0.000 1.083 14 R CB 1.076 31.428 30.300 0.086 0.000 1.262 14 R HN 0.630 nan 8.270 nan 0.000 0.415 15 G N 2.885 111.557 108.800 -0.214 0.000 2.529 15 G HA2 0.443 4.403 3.960 0.000 0.000 0.238 15 G HA3 0.443 4.403 3.960 0.000 0.000 0.238 15 G C -2.810 171.869 174.900 -0.368 0.000 1.207 15 G CA -0.571 44.371 45.100 -0.265 0.000 0.928 15 G HN 0.450 nan 8.290 nan 0.000 0.495 16 P HA 0.528 nan 4.420 nan 0.000 0.293 16 P C -1.353 175.674 177.300 -0.454 0.000 1.313 16 P CA -0.142 62.788 63.100 -0.284 0.000 0.787 16 P CB 1.036 32.629 31.700 -0.179 0.000 0.910 17 F N 3.763 123.685 119.950 -0.048 0.000 2.377 17 F HA 0.401 4.928 4.527 0.000 0.000 0.328 17 F C -1.010 174.756 175.800 -0.058 0.000 1.094 17 F CA -1.411 56.555 58.000 -0.057 0.000 1.093 17 F CB 0.020 38.985 39.000 -0.058 0.000 1.214 17 F HN 0.270 nan 8.300 nan 0.000 0.518 18 P HA 0.268 nan 4.420 nan 0.000 0.286 18 P C -1.533 175.737 177.300 -0.050 0.000 1.293 18 P CA -0.361 62.793 63.100 0.090 0.000 0.770 18 P CB 0.543 32.268 31.700 0.041 0.000 1.206 19 K N 0.208 120.612 120.400 0.007 0.000 2.615 19 K HA 0.313 4.633 4.320 0.000 0.000 0.249 19 K C -0.845 175.742 176.600 -0.021 0.000 0.977 19 K CA -0.290 55.964 56.287 -0.055 0.000 0.833 19 K CB 1.174 33.655 32.500 -0.031 0.000 1.208 19 K HN 0.182 nan 8.250 nan 0.000 0.443 20 R N 3.479 123.915 120.500 -0.106 0.000 2.442 20 R HA 0.196 4.536 4.340 0.000 0.000 0.291 20 R C 0.371 176.687 176.300 0.027 0.000 1.069 20 R CA -0.097 55.945 56.100 -0.098 0.000 1.022 20 R CB 0.548 30.592 30.300 -0.426 0.000 0.976 20 R HN 0.461 nan 8.270 nan 0.000 0.443 21 L N 2.945 124.253 121.223 0.141 0.000 2.379 21 L HA 0.265 4.605 4.340 0.000 0.000 0.190 21 L C 0.318 177.308 176.870 0.199 0.000 1.111 21 L CA 0.848 55.773 54.840 0.142 0.000 0.820 21 L CB 0.133 42.274 42.059 0.137 0.000 1.046 21 L HN 0.357 nan 8.230 nan 0.000 0.485 22 V N -1.549 118.523 119.914 0.264 0.000 3.258 22 V HA 0.430 4.550 4.120 0.000 0.000 0.299 22 V C -1.885 174.252 176.094 0.071 0.000 1.376 22 V CA -0.623 61.801 62.300 0.207 0.000 1.063 22 V CB 2.254 34.102 31.823 0.041 0.000 1.103 22 V HN 0.330 nan 8.190 nan 0.000 0.451 23 Q N 3.255 122.822 119.800 -0.388 0.000 2.340 23 Q HA 0.721 5.061 4.340 0.000 0.000 0.268 23 Q C -1.250 174.410 176.000 -0.566 0.000 1.031 23 Q CA -0.711 54.580 55.803 -0.854 0.000 0.804 23 Q CB 1.921 29.500 28.738 -1.931 0.000 1.286 23 Q HN 0.840 nan 8.270 nan 0.000 0.448 24 I N 0.034 120.277 120.570 -0.545 0.000 2.603 24 I HA 0.695 4.865 4.170 0.000 0.000 0.300 24 I C -1.327 174.446 176.117 -0.572 0.000 1.017 24 I CA -0.918 60.111 61.300 -0.453 0.000 1.098 24 I CB 2.031 39.819 38.000 -0.354 0.000 1.279 24 I HN 0.530 nan 8.210 nan 0.000 0.437 25 K N 3.578 123.768 120.400 -0.350 0.000 2.482 25 K HA 0.438 4.758 4.320 0.000 0.000 0.251 25 K C -1.269 175.325 176.600 -0.010 0.000 0.936 25 K CA -0.457 55.699 56.287 -0.218 0.000 0.791 25 K CB 2.251 34.651 32.500 -0.166 0.000 1.213 25 K HN 0.812 nan 8.250 nan 0.000 0.428 26 S N 1.593 117.413 115.700 0.200 0.000 2.508 26 S HA 0.140 4.610 4.470 0.000 0.000 0.284 26 S C 0.689 175.356 174.600 0.112 0.000 1.192 26 S CA -0.638 57.667 58.200 0.176 0.000 1.070 26 S CB 0.472 63.813 63.200 0.236 0.000 1.004 26 S HN 0.827 nan 8.310 nan 0.000 0.493 27 N N 2.905 121.645 118.700 0.066 0.000 2.353 27 N HA 0.096 4.836 4.740 0.000 0.000 0.185 27 N C 0.894 176.439 175.510 0.058 0.000 1.098 27 N CA -0.216 52.862 53.050 0.047 0.000 0.872 27 N CB 0.012 38.513 38.487 0.024 0.000 0.970 27 N HN 0.413 nan 8.380 nan 0.000 0.467 28 K N 1.143 121.585 120.400 0.069 0.000 2.630 28 K HA -0.033 4.287 4.320 0.000 0.000 0.204 28 K C -0.004 176.655 176.600 0.098 0.000 1.024 28 K CA 0.384 56.715 56.287 0.073 0.000 1.157 28 K CB 0.032 32.568 32.500 0.061 0.000 0.899 28 K HN 0.449 nan 8.250 nan 0.000 0.501 29 D N -1.531 118.924 120.400 0.092 0.000 2.339 29 D HA -0.092 4.548 4.640 0.000 0.000 0.217 29 D C 1.550 177.904 176.300 0.090 0.000 1.050 29 D CA -0.074 53.982 54.000 0.094 0.000 0.856 29 D CB 0.184 41.033 40.800 0.081 0.000 0.922 29 D HN 0.034 nan 8.370 nan 0.000 0.518 30 R N -0.582 119.976 120.500 0.097 0.000 2.127 30 R HA -0.163 4.177 4.340 0.000 0.000 0.238 30 R C 1.353 177.717 176.300 0.106 0.000 1.134 30 R CA 1.107 57.258 56.100 0.084 0.000 0.975 30 R CB -0.323 30.029 30.300 0.087 0.000 0.865 30 R HN 0.341 nan 8.270 nan 0.000 0.447 31 F N 0.069 120.027 119.950 0.013 0.000 2.147 31 F HA 0.142 4.669 4.527 0.000 0.000 0.291 31 F C 0.867 176.675 175.800 0.014 0.000 1.093 31 F CA 0.915 58.923 58.000 0.012 0.000 1.263 31 F CB 0.070 39.076 39.000 0.011 0.000 1.036 31 F HN 0.025 nan 8.300 nan 0.000 0.481 32 N N -0.552 118.206 118.700 0.096 0.000 3.343 32 N HA 0.223 4.963 4.740 0.000 0.000 0.330 32 N C -1.753 173.777 175.510 0.033 0.000 1.560 32 N CA -0.794 52.223 53.050 -0.054 0.000 0.752 32 N CB 1.185 39.776 38.487 0.172 0.000 1.863 32 N HN -0.040 nan 8.380 nan 0.000 0.636 33 K N 0.481 120.905 120.400 0.039 0.000 2.205 33 K HA 0.459 4.779 4.320 0.000 0.000 0.279 33 K C -1.119 175.525 176.600 0.074 0.000 1.027 33 K CA -0.506 55.820 56.287 0.065 0.000 0.932 33 K CB 0.652 33.212 32.500 0.100 0.000 1.032 33 K HN 0.294 nan 8.250 nan 0.000 0.466 34 V N 4.680 124.603 119.914 0.015 0.000 2.483 34 V HA 0.192 4.312 4.120 0.000 0.000 0.295 34 V C -0.964 175.029 176.094 -0.170 0.000 1.035 34 V CA -0.765 61.468 62.300 -0.111 0.000 0.896 34 V CB 1.090 32.752 31.823 -0.268 0.000 0.986 34 V HN 0.677 nan 8.190 nan 0.000 0.447 35 Y N 4.799 124.962 120.300 -0.229 0.000 2.369 35 Y HA 0.511 5.061 4.550 0.000 0.000 0.337 35 Y C -0.574 175.236 175.900 -0.150 0.000 0.961 35 Y CA -0.702 57.355 58.100 -0.071 0.000 1.186 35 Y CB 0.711 39.192 38.460 0.035 0.000 1.139 35 Y HN 0.595 nan 8.280 nan 0.000 0.494 36 Y N 4.538 124.804 120.300 -0.055 0.000 2.336 36 Y HA 0.377 4.927 4.550 0.000 0.000 0.335 36 Y C 0.711 176.595 175.900 -0.027 0.000 1.046 36 Y CA -0.048 58.045 58.100 -0.011 0.000 1.198 36 Y CB 0.942 39.378 38.460 -0.041 0.000 1.182 36 Y HN 0.642 nan 8.280 nan 0.000 0.502 37 S N 4.061 119.930 115.700 0.282 0.000 2.811 37 S HA 0.848 5.318 4.470 0.000 0.000 0.311 37 S C -1.119 173.638 174.600 0.262 0.000 1.152 37 S CA -0.886 57.482 58.200 0.279 0.000 0.864 37 S CB 2.434 65.847 63.200 0.354 0.000 1.226 37 S HN 0.693 nan 8.310 nan 0.000 0.541 38 I N 0.661 121.384 120.570 0.254 0.000 2.800 38 I HA 0.547 4.717 4.170 0.000 0.000 0.294 38 I C -1.729 174.507 176.117 0.198 0.000 1.538 38 I CA -0.223 61.184 61.300 0.179 0.000 1.010 38 I CB 1.998 40.055 38.000 0.094 0.000 1.381 38 I HN 1.161 nan 8.210 nan 0.000 0.462 39 T N 2.428 117.087 114.554 0.175 0.000 2.906 39 T HA 1.002 5.352 4.350 0.000 0.000 0.295 39 T C -0.264 174.498 174.700 0.104 0.000 1.075 39 T CA -0.129 62.071 62.100 0.167 0.000 1.005 39 T CB 2.019 71.032 68.868 0.241 0.000 1.136 39 T HN 1.647 nan 8.240 nan 0.000 0.498 40 G N 0.542 109.397 108.800 0.092 0.000 2.346 40 G HA2 0.215 4.175 3.960 0.000 0.000 0.294 40 G HA3 0.215 4.175 3.960 0.000 0.000 0.294 40 G C -1.610 173.331 174.900 0.068 0.000 1.294 40 G CA -1.096 44.044 45.100 0.067 0.000 0.962 40 G HN 0.902 nan 8.290 nan 0.000 0.508 41 Q N -0.060 119.766 119.800 0.044 0.000 2.313 41 Q HA 0.423 4.763 4.340 0.000 0.000 0.266 41 Q C 1.305 177.378 176.000 0.121 0.000 0.989 41 Q CA 1.250 57.065 55.803 0.020 0.000 0.890 41 Q CB 1.085 29.780 28.738 -0.071 0.000 1.200 41 Q HN 2.251 nan 8.270 nan 0.000 0.396 42 G N 1.365 110.256 108.800 0.152 0.000 2.241 42 G HA2 -0.334 3.626 3.960 0.000 0.000 0.244 42 G HA3 -0.334 3.626 3.960 0.000 0.000 0.244 42 G C 0.437 175.536 174.900 0.332 0.000 0.998 42 G CA 0.322 45.638 45.100 0.360 0.000 0.621 42 G HN 0.744 nan 8.290 nan 0.000 0.519 43 A N 0.768 123.717 122.820 0.215 0.000 3.152 43 A HA 0.561 4.881 4.320 0.000 0.000 0.206 43 A C 1.775 179.433 177.584 0.124 0.000 2.224 43 A CA 1.498 53.644 52.037 0.181 0.000 1.378 43 A CB -0.301 18.784 19.000 0.141 0.000 1.222 43 A HN 0.608 nan 8.150 nan 0.000 0.419 44 D N -0.321 120.141 120.400 0.104 0.000 2.346 44 D HA 0.039 4.679 4.640 0.000 0.000 0.206 44 D C -0.247 176.090 176.300 0.061 0.000 1.001 44 D CA 0.023 54.071 54.000 0.080 0.000 0.871 44 D CB -0.416 40.432 40.800 0.080 0.000 0.943 44 D HN 0.193 nan 8.370 nan 0.000 0.518 45 N N 1.441 120.178 118.700 0.062 0.000 2.492 45 N HA 0.289 5.029 4.740 0.000 0.000 0.289 45 N C -2.642 172.886 175.510 0.031 0.000 1.133 45 N CA -1.648 51.427 53.050 0.042 0.000 0.961 45 N CB 1.037 39.546 38.487 0.036 0.000 1.186 45 N HN -0.096 nan 8.380 nan 0.000 0.493 46 P HA 0.049 nan 4.420 nan 0.000 0.260 46 P C -2.349 174.920 177.300 -0.051 0.000 1.172 46 P CA -0.322 62.781 63.100 0.005 0.000 0.760 46 P CB -0.197 31.515 31.700 0.021 0.000 0.773 47 P HA 0.010 nan 4.420 nan 0.000 0.264 47 P C -0.429 176.886 177.300 0.024 0.000 1.236 47 P CA 0.448 63.535 63.100 -0.023 0.000 0.811 47 P CB 0.069 31.738 31.700 -0.053 0.000 0.840 48 Q N 2.068 121.883 119.800 0.024 0.000 2.332 48 Q HA 0.416 4.756 4.340 0.000 0.000 0.263 48 Q C 1.249 177.262 176.000 0.021 0.000 0.979 48 Q CA 0.142 55.968 55.803 0.037 0.000 0.885 48 Q CB 0.382 29.140 28.738 0.033 0.000 1.218 48 Q HN 0.677 nan 8.270 nan 0.000 0.405 49 G N 1.162 109.984 108.800 0.037 0.000 2.149 49 G HA2 -0.237 3.723 3.960 0.000 0.000 0.235 49 G HA3 -0.237 3.723 3.960 0.000 0.000 0.235 49 G C 0.423 175.269 174.900 -0.089 0.000 1.018 49 G CA 0.162 45.263 45.100 0.000 0.000 0.728 49 G HN 0.481 nan 8.290 nan 0.000 0.508 50 V N -1.358 118.475 119.914 -0.135 0.000 2.649 50 V HA 0.343 4.463 4.120 0.000 0.000 0.248 50 V C 0.977 176.583 176.094 -0.812 0.000 1.054 50 V CA 1.502 63.497 62.300 -0.508 0.000 1.073 50 V CB -0.381 31.038 31.823 -0.674 0.000 0.699 50 V HN 0.345 nan 8.190 nan 0.000 0.463 51 F N 0.408 120.328 119.950 -0.051 0.000 2.563 51 F HA 0.787 5.314 4.527 0.000 0.000 0.316 51 F C 0.129 175.938 175.800 0.014 0.000 1.076 51 F CA -1.221 56.762 58.000 -0.028 0.000 0.921 51 F CB 1.649 40.622 39.000 -0.046 0.000 1.209 51 F HN -0.006 nan 8.300 nan 0.000 0.462 52 R N 1.795 122.414 120.500 0.198 0.000 2.680 52 R HA 0.830 5.170 4.340 0.000 0.000 0.269 52 R C -2.178 174.215 176.300 0.155 0.000 1.026 52 R CA -0.902 55.292 56.100 0.157 0.000 0.889 52 R CB 2.456 32.825 30.300 0.115 0.000 1.241 52 R HN 0.796 nan 8.270 nan 0.000 0.463 53 I N 0.686 121.347 120.570 0.151 0.000 2.646 53 I HA 0.292 4.462 4.170 0.000 0.000 0.299 53 I C -0.563 175.643 176.117 0.148 0.000 1.036 53 I CA -1.066 60.319 61.300 0.141 0.000 1.074 53 I CB 2.394 40.464 38.000 0.117 0.000 1.258 53 I HN 0.724 nan 8.210 nan 0.000 0.430 54 E N 8.123 128.395 120.200 0.120 0.000 1.932 54 E HA -0.013 4.337 4.350 0.000 0.000 0.275 54 E C 0.481 177.067 176.600 -0.022 0.000 1.159 54 E CA -0.360 56.074 56.400 0.056 0.000 0.905 54 E CB 0.189 29.907 29.700 0.029 0.000 1.059 54 E HN 0.689 nan 8.360 nan 0.000 0.400 55 W N 4.103 125.334 121.300 -0.114 0.000 2.279 55 W HA -0.324 4.336 4.660 0.000 0.000 0.298 55 W C 0.922 177.365 176.519 -0.125 0.000 1.228 55 W CA 1.512 58.634 57.345 -0.371 0.000 1.230 55 W CB -0.392 28.451 29.460 -1.028 0.000 1.138 55 W HN 0.490 nan 8.180 nan 0.000 0.532 56 E N 0.513 120.278 120.200 -0.725 0.000 2.389 56 E HA -0.082 4.268 4.350 0.000 0.000 0.199 56 E C 2.324 178.813 176.600 -0.184 0.000 0.978 56 E CA 1.431 57.492 56.400 -0.564 0.000 0.912 56 E CB 0.127 29.130 29.700 -1.163 0.000 0.907 56 E HN 0.261 nan 8.360 nan 0.000 0.494 57 T N -3.793 110.663 114.554 -0.162 0.000 3.021 57 T HA 0.262 4.612 4.350 0.000 0.000 0.245 57 T C 1.493 176.012 174.700 -0.302 0.000 1.028 57 T CA 0.582 62.607 62.100 -0.125 0.000 1.139 57 T CB 0.619 69.517 68.868 0.050 0.000 0.884 57 T HN 0.189 nan 8.240 nan 0.000 0.457 58 G N 0.459 109.079 108.800 -0.301 0.000 2.135 58 G HA2 -0.145 3.815 3.960 0.000 0.000 0.183 58 G HA3 -0.145 3.815 3.960 0.000 0.000 0.183 58 G C -0.311 174.325 174.900 -0.441 0.000 1.004 58 G CA -0.535 44.204 45.100 -0.601 0.000 0.677 58 G HN 0.542 nan 8.290 nan 0.000 0.512 59 W N -0.166 121.038 121.300 -0.161 0.000 2.376 59 W HA 0.768 5.428 4.660 0.000 0.000 0.322 59 W C 0.667 177.152 176.519 -0.057 0.000 1.160 59 W CA -0.899 56.384 57.345 -0.103 0.000 1.218 59 W CB 1.130 30.542 29.460 -0.079 0.000 1.205 59 W HN 0.131 nan 8.180 nan 0.000 0.559 60 M N 4.321 124.101 119.600 0.300 0.000 2.364 60 M HA 0.584 5.064 4.480 0.000 0.000 0.334 60 M C -1.312 175.116 176.300 0.212 0.000 1.107 60 M CA -0.467 54.951 55.300 0.197 0.000 0.988 60 M CB 0.944 33.617 32.600 0.122 0.000 1.673 60 M HN 0.341 nan 8.290 nan 0.000 0.441 61 L N 3.610 124.947 121.223 0.191 0.000 2.350 61 L HA 0.760 5.100 4.340 0.000 0.000 0.260 61 L C -0.930 176.039 176.870 0.164 0.000 1.015 61 L CA -1.203 53.729 54.840 0.153 0.000 0.821 61 L CB 1.863 43.977 42.059 0.091 0.000 1.370 61 L HN 0.426 nan 8.230 nan 0.000 0.416 62 V N 0.091 120.066 119.914 0.102 0.000 2.427 62 V HA 0.267 4.387 4.120 0.000 0.000 0.286 62 V C 0.668 176.731 176.094 -0.052 0.000 1.034 62 V CA 0.346 62.593 62.300 -0.088 0.000 0.893 62 V CB 1.687 33.523 31.823 0.022 0.000 0.982 62 V HN 0.925 nan 8.190 nan 0.000 0.452 63 T N 6.470 120.863 114.554 -0.268 0.000 3.044 63 T HA 0.266 4.616 4.350 0.000 0.000 0.255 63 T C 0.661 175.019 174.700 -0.569 0.000 1.073 63 T CA 0.872 62.844 62.100 -0.214 0.000 1.125 63 T CB -0.154 68.595 68.868 -0.200 0.000 0.908 63 T HN 0.855 nan 8.240 nan 0.000 0.480 64 R N 0.078 120.085 120.500 -0.821 0.000 2.752 64 R HA 0.571 4.911 4.340 0.000 0.000 0.271 64 R C -3.344 172.431 176.300 -0.875 0.000 1.026 64 R CA -1.919 53.452 56.100 -1.215 0.000 0.901 64 R CB 0.241 30.163 30.300 -0.630 0.000 1.243 64 R HN -0.156 nan 8.270 nan 0.000 0.463 65 P HA 0.151 nan 4.420 nan 0.000 0.270 65 P C -0.967 176.255 177.300 -0.129 0.000 1.223 65 P CA -0.186 62.798 63.100 -0.193 0.000 0.785 65 P CB 0.409 32.067 31.700 -0.070 0.000 0.923 66 L N -0.603 120.606 121.223 -0.024 0.000 2.376 66 L HA 0.743 5.082 4.340 0.000 0.000 0.258 66 L C -0.636 176.277 176.870 0.072 0.000 1.013 66 L CA -0.893 53.965 54.840 0.030 0.000 0.822 66 L CB 1.977 44.069 42.059 0.054 0.000 1.388 66 L HN 0.118 nan 8.230 nan 0.000 0.413 67 D N -0.358 120.108 120.400 0.110 0.000 2.505 67 D HA 0.301 4.941 4.640 0.000 0.000 0.250 67 D C 0.827 177.203 176.300 0.128 0.000 1.164 67 D CA -0.753 53.304 54.000 0.096 0.000 0.870 67 D CB 1.555 42.398 40.800 0.072 0.000 1.160 67 D HN 0.630 nan 8.370 nan 0.000 0.549 68 R N 2.555 123.124 120.500 0.115 0.000 2.127 68 R HA -0.142 4.198 4.340 0.000 0.000 0.238 68 R C 0.902 177.247 176.300 0.076 0.000 1.134 68 R CA 1.224 57.397 56.100 0.121 0.000 0.975 68 R CB -0.180 30.176 30.300 0.093 0.000 0.865 68 R HN 0.251 nan 8.270 nan 0.000 0.447 69 E N 0.688 120.916 120.200 0.047 0.000 2.209 69 E HA -0.186 4.164 4.350 0.000 0.000 0.196 69 E C 1.659 178.244 176.600 -0.026 0.000 0.993 69 E CA 1.629 58.035 56.400 0.010 0.000 0.819 69 E CB 0.025 29.730 29.700 0.008 0.000 0.745 69 E HN 0.603 nan 8.360 nan 0.000 0.477 70 E N -1.421 118.777 120.200 -0.003 0.000 2.024 70 E HA 0.005 4.355 4.350 0.000 0.000 0.190 70 E C -0.388 176.059 176.600 -0.254 0.000 0.974 70 E CA 0.517 56.864 56.400 -0.088 0.000 0.810 70 E CB 0.307 30.050 29.700 0.072 0.000 0.775 70 E HN 0.137 nan 8.360 nan 0.000 0.453 71 Y N 0.405 120.731 120.300 0.044 0.000 2.346 71 Y HA 0.130 4.680 4.550 0.000 0.000 0.332 71 Y C -0.359 175.591 175.900 0.083 0.000 0.985 71 Y CA -0.841 57.254 58.100 -0.009 0.000 1.112 71 Y CB 1.635 40.010 38.460 -0.142 0.000 1.170 71 Y HN 0.105 nan 8.280 nan 0.000 0.447 72 D N 1.101 121.600 120.400 0.166 0.000 2.349 72 D HA 0.105 4.745 4.640 0.000 0.000 0.214 72 D C 0.026 176.440 176.300 0.190 0.000 1.063 72 D CA 0.208 54.305 54.000 0.162 0.000 0.847 72 D CB 0.679 41.531 40.800 0.086 0.000 0.933 72 D HN 0.446 nan 8.370 nan 0.000 0.513 73 K N -0.920 119.603 120.400 0.205 0.000 2.610 73 K HA 0.347 4.667 4.320 0.000 0.000 0.278 73 K C -2.147 174.538 176.600 0.141 0.000 0.964 73 K CA -0.665 55.755 56.287 0.222 0.000 0.859 73 K CB 1.217 33.780 32.500 0.106 0.000 1.434 73 K HN -0.154 nan 8.250 nan 0.000 0.410 74 Y N -0.065 120.236 120.300 0.001 0.000 2.553 74 Y HA 0.573 5.123 4.550 0.000 0.000 0.347 74 Y C -0.816 175.027 175.900 -0.096 0.000 1.019 74 Y CA -0.815 57.248 58.100 -0.062 0.000 1.032 74 Y CB 2.453 40.819 38.460 -0.157 0.000 1.284 74 Y HN 0.178 nan 8.280 nan 0.000 0.466 75 V N 4.234 124.180 119.914 0.052 0.000 2.638 75 V HA 0.604 4.724 4.120 0.000 0.000 0.306 75 V C -0.792 175.292 176.094 -0.017 0.000 1.052 75 V CA -0.819 61.481 62.300 0.001 0.000 0.885 75 V CB 1.957 33.781 31.823 0.002 0.000 0.999 75 V HN 0.578 nan 8.190 nan 0.000 0.424 76 L N 2.483 123.677 121.223 -0.050 0.000 2.350 76 L HA 0.722 5.062 4.340 0.000 0.000 0.260 76 L C -0.320 176.517 176.870 -0.056 0.000 1.015 76 L CA -0.602 54.206 54.840 -0.053 0.000 0.821 76 L CB 2.389 44.384 42.059 -0.107 0.000 1.370 76 L HN 0.579 nan 8.230 nan 0.000 0.416 77 S N 0.482 116.151 115.700 -0.052 0.000 2.478 77 S HA 0.616 5.086 4.470 0.000 0.000 0.312 77 S C -0.571 173.840 174.600 -0.314 0.000 1.094 77 S CA -0.548 57.574 58.200 -0.129 0.000 1.081 77 S CB 1.151 64.329 63.200 -0.038 0.000 1.007 77 S HN 0.638 nan 8.310 nan 0.000 0.475 78 S N 4.699 120.168 115.700 -0.385 0.000 2.525 78 S HA 0.688 5.158 4.470 0.000 0.000 0.290 78 S C -0.822 173.435 174.600 -0.571 0.000 1.152 78 S CA -0.771 57.206 58.200 -0.371 0.000 1.072 78 S CB 0.832 63.950 63.200 -0.137 0.000 1.027 78 S HN 0.792 nan 8.310 nan 0.000 0.500 79 H N 0.230 119.379 119.070 0.132 0.000 2.894 79 H HA 0.800 5.356 4.556 0.000 0.000 0.368 79 H C -0.848 174.589 175.328 0.183 0.000 1.181 79 H CA -1.045 55.085 56.048 0.137 0.000 1.146 79 H CB 2.054 31.885 29.762 0.115 0.000 1.839 79 H HN 0.950 nan 8.280 nan 0.000 0.557 80 A N 1.592 124.564 122.820 0.253 0.000 2.547 80 A HA 0.476 4.796 4.320 0.000 0.000 0.279 80 A C -0.559 177.061 177.584 0.060 0.000 1.088 80 A CA -0.568 51.521 52.037 0.087 0.000 0.796 80 A CB 0.365 19.419 19.000 0.090 0.000 1.308 80 A HN 0.442 nan 8.150 nan 0.000 0.415 81 V N 0.638 120.588 119.914 0.060 0.000 2.994 81 V HA 0.947 5.067 4.120 0.000 0.000 0.318 81 V C 0.418 176.539 176.094 0.044 0.000 1.085 81 V CA -0.230 62.100 62.300 0.051 0.000 0.998 81 V CB 1.497 33.346 31.823 0.043 0.000 1.063 81 V HN 1.307 nan 8.190 nan 0.000 0.447 82 S N 0.565 116.293 115.700 0.046 0.000 2.652 82 S HA 0.404 4.874 4.470 0.000 0.000 0.270 82 S C 0.682 175.318 174.600 0.061 0.000 1.243 82 S CA -0.388 57.857 58.200 0.076 0.000 0.999 82 S CB 1.360 64.625 63.200 0.107 0.000 0.973 82 S HN 0.788 nan 8.310 nan 0.000 0.544 83 E N 2.036 122.282 120.200 0.078 0.000 2.077 83 E HA -0.184 4.166 4.350 0.000 0.000 0.193 83 E C 2.056 178.671 176.600 0.026 0.000 0.989 83 E CA 1.513 57.938 56.400 0.042 0.000 0.800 83 E CB -0.699 29.032 29.700 0.051 0.000 0.746 83 E HN 0.876 nan 8.360 nan 0.000 0.452 84 N N 0.049 118.789 118.700 0.067 0.000 2.192 84 N HA -0.180 4.560 4.740 0.000 0.000 0.188 84 N C 1.352 176.870 175.510 0.013 0.000 1.013 84 N CA 1.690 54.771 53.050 0.053 0.000 0.863 84 N CB -0.011 38.533 38.487 0.095 0.000 0.990 84 N HN 0.259 nan 8.380 nan 0.000 0.430 85 G N -1.065 107.738 108.800 0.006 0.000 2.227 85 G HA2 -0.160 3.800 3.960 0.000 0.000 0.168 85 G HA3 -0.160 3.800 3.960 0.000 0.000 0.168 85 G C -0.355 174.536 174.900 -0.015 0.000 1.006 85 G CA 0.011 45.099 45.100 -0.021 0.000 0.684 85 G HN 0.429 nan 8.290 nan 0.000 0.489 86 S N 1.751 117.450 115.700 -0.000 0.000 2.541 86 S HA 0.667 5.137 4.470 0.000 0.000 0.283 86 S C -2.378 172.226 174.600 0.007 0.000 1.196 86 S CA -0.977 57.220 58.200 -0.005 0.000 1.062 86 S CB 2.148 65.338 63.200 -0.017 0.000 1.009 86 S HN 0.131 nan 8.310 nan 0.000 0.502 87 P HA 0.159 nan 4.420 nan 0.000 0.272 87 P C 0.170 177.487 177.300 0.027 0.000 1.223 87 P CA -0.284 62.833 63.100 0.029 0.000 0.784 87 P CB 0.643 32.360 31.700 0.029 0.000 0.923 88 V N -0.173 119.767 119.914 0.043 0.000 3.219 88 V HA 0.189 4.309 4.120 0.000 0.000 0.240 88 V C 0.468 176.590 176.094 0.046 0.000 1.222 88 V CA 0.873 63.194 62.300 0.036 0.000 1.181 88 V CB -0.341 31.507 31.823 0.042 0.000 0.941 88 V HN 0.376 nan 8.190 nan 0.000 0.471 89 E N 0.867 121.107 120.200 0.068 0.000 2.212 89 E HA 0.505 4.855 4.350 0.000 0.000 0.268 89 E C -0.924 175.724 176.600 0.079 0.000 0.902 89 E CA -0.785 55.657 56.400 0.070 0.000 0.779 89 E CB 2.332 32.081 29.700 0.081 0.000 1.172 89 E HN 0.217 nan 8.360 nan 0.000 0.409 90 E N 2.740 122.978 120.200 0.063 0.000 2.465 90 E HA 0.099 4.449 4.350 0.000 0.000 0.260 90 E C -2.195 174.449 176.600 0.073 0.000 0.980 90 E CA -1.092 55.347 56.400 0.066 0.000 0.927 90 E CB 0.139 29.867 29.700 0.046 0.000 0.934 90 E HN 0.121 nan 8.360 nan 0.000 0.459 91 P HA -0.062 nan 4.420 nan 0.000 0.274 91 P C -0.633 176.659 177.300 -0.013 0.000 1.248 91 P CA 0.541 63.670 63.100 0.047 0.000 0.827 91 P CB 0.389 32.151 31.700 0.105 0.000 0.972 92 M N 0.378 119.929 119.600 -0.083 0.000 2.224 92 M HA 0.156 4.636 4.480 0.000 0.000 0.281 92 M C -0.299 175.959 176.300 -0.070 0.000 1.025 92 M CA -0.528 54.739 55.300 -0.054 0.000 0.954 92 M CB 1.921 34.497 32.600 -0.040 0.000 1.639 92 M HN 0.362 nan 8.290 nan 0.000 0.461 93 E N 3.677 123.854 120.200 -0.039 0.000 2.413 93 E HA 0.322 4.672 4.350 0.000 0.000 0.263 93 E C -1.405 175.170 176.600 -0.042 0.000 1.015 93 E CA 0.308 56.686 56.400 -0.036 0.000 0.916 93 E CB 0.865 30.555 29.700 -0.015 0.000 0.947 93 E HN 0.570 nan 8.360 nan 0.000 0.440 94 I N 2.958 123.497 120.570 -0.051 0.000 2.569 94 I HA 0.214 4.384 4.170 0.000 0.000 0.290 94 I C -0.796 175.284 176.117 -0.063 0.000 1.088 94 I CA -0.611 60.652 61.300 -0.062 0.000 1.047 94 I CB 2.446 40.392 38.000 -0.090 0.000 1.237 94 I HN 0.434 nan 8.210 nan 0.000 0.421 95 T N 6.447 120.972 114.554 -0.049 0.000 2.863 95 T HA 0.697 5.047 4.350 0.000 0.000 0.285 95 T C -0.432 174.246 174.700 -0.037 0.000 1.009 95 T CA -0.485 61.596 62.100 -0.033 0.000 0.989 95 T CB 1.920 70.785 68.868 -0.004 0.000 1.004 95 T HN 0.272 nan 8.240 nan 0.000 0.455 96 I N 2.972 123.530 120.570 -0.020 0.000 2.499 96 I HA 0.372 4.542 4.170 0.000 0.000 0.288 96 I C -0.682 175.483 176.117 0.080 0.000 1.048 96 I CA -0.969 60.328 61.300 -0.005 0.000 1.062 96 I CB 1.880 39.815 38.000 -0.109 0.000 1.238 96 I HN 0.459 nan 8.210 nan 0.000 0.426 97 N N 5.451 124.195 118.700 0.074 0.000 2.400 97 N HA 0.394 5.133 4.740 0.000 0.000 0.288 97 N C -0.797 174.777 175.510 0.106 0.000 1.024 97 N CA -0.456 52.651 53.050 0.095 0.000 0.894 97 N CB 2.963 41.489 38.487 0.065 0.000 1.173 97 N HN 0.190 nan 8.380 nan 0.000 0.487 98 V N 3.746 123.742 119.914 0.136 0.000 2.334 98 V HA 0.330 4.450 4.120 0.000 0.000 0.267 98 V C 0.747 176.897 176.094 0.094 0.000 1.040 98 V CA -0.706 61.672 62.300 0.131 0.000 0.866 98 V CB 0.052 31.987 31.823 0.186 0.000 1.019 98 V HN 0.487 nan 8.190 nan 0.000 0.468 99 I N 3.902 124.517 120.570 0.074 0.000 2.533 99 I HA 0.106 4.276 4.170 0.000 0.000 0.284 99 I C 0.901 177.049 176.117 0.050 0.000 1.109 99 I CA 0.170 61.503 61.300 0.055 0.000 1.412 99 I CB 0.271 38.298 38.000 0.045 0.000 1.396 99 I HN 0.590 nan 8.210 nan 0.000 0.543 100 D N 6.478 126.903 120.400 0.041 0.000 2.400 100 D HA 0.077 4.717 4.640 0.000 0.000 0.238 100 D C -0.586 175.730 176.300 0.028 0.000 1.157 100 D CA 0.470 54.490 54.000 0.034 0.000 0.889 100 D CB 0.950 41.765 40.800 0.024 0.000 1.199 100 D HN 0.527 nan 8.370 nan 0.000 0.436 101 Q N 1.634 121.449 119.800 0.025 0.000 2.359 101 Q HA 0.142 4.482 4.340 0.000 0.000 0.274 101 Q C -0.897 175.111 176.000 0.014 0.000 1.074 101 Q CA -0.841 54.974 55.803 0.020 0.000 0.810 101 Q CB 1.553 30.306 28.738 0.025 0.000 1.342 101 Q HN 0.344 nan 8.270 nan 0.000 0.427 102 N N 1.785 120.490 118.700 0.008 0.000 2.814 102 N HA -0.061 4.679 4.740 0.000 0.000 0.304 102 N C -0.507 175.005 175.510 0.004 0.000 1.211 102 N CA 0.369 53.420 53.050 0.002 0.000 1.158 102 N CB 0.114 38.599 38.487 -0.003 0.000 1.458 102 N HN 0.423 nan 8.380 nan 0.000 0.519 103 D N -1.418 118.986 120.400 0.007 0.000 2.407 103 D HA 0.071 4.711 4.640 0.000 0.000 0.208 103 D C -0.393 175.911 176.300 0.005 0.000 1.083 103 D CA 0.038 54.044 54.000 0.009 0.000 0.844 103 D CB 0.006 40.815 40.800 0.016 0.000 0.967 103 D HN 0.085 nan 8.370 nan 0.000 0.506 104 N N 1.124 119.824 118.700 -0.000 0.000 2.392 104 N HA 0.234 4.974 4.740 0.000 0.000 0.283 104 N C -0.797 174.706 175.510 -0.012 0.000 1.003 104 N CA -0.522 52.525 53.050 -0.004 0.000 0.892 104 N CB 2.284 40.768 38.487 -0.005 0.000 1.193 104 N HN 0.108 nan 8.380 nan 0.000 0.487 105 R N 2.876 123.372 120.500 -0.008 0.000 2.490 105 R HA 0.371 4.711 4.340 0.000 0.000 0.278 105 R C -2.051 174.235 176.300 -0.023 0.000 1.069 105 R CA -0.931 55.161 56.100 -0.013 0.000 1.080 105 R CB 0.630 30.932 30.300 0.003 0.000 1.030 105 R HN 0.322 nan 8.270 nan 0.000 0.491 106 P HA 0.166 nan 4.420 nan 0.000 0.286 106 P C -1.521 175.747 177.300 -0.054 0.000 1.293 106 P CA -0.278 62.775 63.100 -0.078 0.000 0.770 106 P CB 0.669 32.280 31.700 -0.149 0.000 1.206 107 K N -0.425 119.931 120.400 -0.074 0.000 2.561 107 K HA 0.383 4.704 4.320 0.000 0.000 0.254 107 K C -1.149 175.463 176.600 0.020 0.000 0.942 107 K CA -0.571 55.724 56.287 0.014 0.000 0.818 107 K CB 0.981 33.514 32.500 0.054 0.000 1.306 107 K HN 0.122 nan 8.250 nan 0.000 0.435 108 F N 2.171 122.197 119.950 0.127 0.000 2.518 108 F HA 0.034 4.561 4.527 0.000 0.000 0.359 108 F C 1.962 177.882 175.800 0.200 0.000 1.118 108 F CA 0.485 58.613 58.000 0.214 0.000 1.287 108 F CB 1.173 40.349 39.000 0.293 0.000 1.132 108 F HN 0.692 nan 8.300 nan 0.000 0.587 109 T N 1.218 116.044 114.554 0.453 0.000 2.624 109 T HA -0.210 4.140 4.350 0.000 0.000 0.268 109 T C 0.684 175.445 174.700 0.101 0.000 1.041 109 T CA 1.546 63.807 62.100 0.268 0.000 1.159 109 T CB -0.160 68.902 68.868 0.323 0.000 0.863 109 T HN 0.542 nan 8.240 nan 0.000 0.434 110 Q N -0.383 119.378 119.800 -0.065 0.000 2.333 110 Q HA 0.388 4.728 4.340 0.000 0.000 0.266 110 Q C 0.339 176.229 176.000 -0.183 0.000 1.053 110 Q CA -0.674 54.912 55.803 -0.361 0.000 0.890 110 Q CB 0.997 29.170 28.738 -0.942 0.000 1.337 110 Q HN -0.029 nan 8.270 nan 0.000 0.474 111 D N -0.521 119.770 120.400 -0.181 0.000 2.346 111 D HA 0.064 4.704 4.640 0.000 0.000 0.206 111 D C -0.598 175.639 176.300 -0.105 0.000 1.001 111 D CA 0.344 54.297 54.000 -0.078 0.000 0.871 111 D CB 0.789 41.556 40.800 -0.056 0.000 0.943 111 D HN 0.295 nan 8.370 nan 0.000 0.518 112 V N -1.793 117.994 119.914 -0.211 0.000 2.789 112 V HA 0.468 4.588 4.120 0.000 0.000 0.300 112 V C -0.995 174.969 176.094 -0.216 0.000 1.184 112 V CA -1.133 61.102 62.300 -0.108 0.000 0.930 112 V CB 0.713 32.493 31.823 -0.072 0.000 1.041 112 V HN -0.143 nan 8.190 nan 0.000 0.430 113 F N 2.351 122.256 119.950 -0.075 0.000 2.458 113 F HA 0.834 5.361 4.527 0.000 0.000 0.330 113 F C 0.745 176.509 175.800 -0.060 0.000 1.082 113 F CA -0.673 57.294 58.000 -0.056 0.000 0.995 113 F CB 2.130 41.096 39.000 -0.056 0.000 1.170 113 F HN 0.422 nan 8.300 nan 0.000 0.478 114 R N 0.565 121.134 120.500 0.116 0.000 2.854 114 R HA 0.838 5.178 4.340 0.000 0.000 0.271 114 R C -0.455 175.870 176.300 0.042 0.000 0.996 114 R CA -1.115 55.016 56.100 0.052 0.000 0.961 114 R CB 2.250 32.561 30.300 0.019 0.000 1.182 114 R HN 0.894 nan 8.270 nan 0.000 0.479 115 G N -0.387 108.423 108.800 0.016 0.000 2.684 115 G HA2 0.536 4.496 3.960 0.000 0.000 0.290 115 G HA3 0.536 4.496 3.960 0.000 0.000 0.290 115 G C -1.481 173.428 174.900 0.015 0.000 1.425 115 G CA -0.535 44.568 45.100 0.005 0.000 0.822 115 G HN 0.571 nan 8.290 nan 0.000 0.482 116 S N -1.616 114.097 115.700 0.022 0.000 2.537 116 S HA 0.807 5.277 4.470 0.000 0.000 0.271 116 S C -1.114 173.515 174.600 0.049 0.000 1.148 116 S CA -0.534 57.691 58.200 0.042 0.000 0.868 116 S CB 1.645 64.867 63.200 0.037 0.000 1.115 116 S HN 1.670 nan 8.310 nan 0.000 0.461 117 V N 0.414 120.372 119.914 0.072 0.000 3.178 117 V HA 0.665 4.785 4.120 0.000 0.000 0.302 117 V C -0.310 175.831 176.094 0.078 0.000 1.262 117 V CA -1.178 61.166 62.300 0.074 0.000 1.030 117 V CB 1.872 33.752 31.823 0.096 0.000 1.074 117 V HN 1.152 nan 8.190 nan 0.000 0.438 118 R N 1.127 121.665 120.500 0.064 0.000 2.410 118 R HA 0.314 4.654 4.340 0.000 0.000 0.288 118 R C 1.535 177.874 176.300 0.066 0.000 1.051 118 R CA 0.133 56.270 56.100 0.062 0.000 1.021 118 R CB 1.199 31.528 30.300 0.048 0.000 1.032 118 R HN 0.999 nan 8.270 nan 0.000 0.481 119 E N 2.810 123.055 120.200 0.074 0.000 2.118 119 E HA -0.173 4.177 4.350 0.000 0.000 0.195 119 E C 1.010 177.642 176.600 0.053 0.000 0.992 119 E CA 1.512 57.957 56.400 0.076 0.000 0.804 119 E CB -0.180 29.573 29.700 0.088 0.000 0.741 119 E HN 0.832 nan 8.360 nan 0.000 0.458 120 G N 2.052 110.880 108.800 0.047 0.000 2.985 120 G HA2 0.106 4.066 3.960 0.000 0.000 0.209 120 G HA3 0.106 4.066 3.960 0.000 0.000 0.209 120 G C 0.787 175.702 174.900 0.025 0.000 1.165 120 G CA 0.324 45.446 45.100 0.036 0.000 0.776 120 G HN 0.269 nan 8.290 nan 0.000 0.541 121 V N -2.186 117.742 119.914 0.024 0.000 3.237 121 V HA 0.323 4.443 4.120 0.000 0.000 0.305 121 V C -0.074 176.021 176.094 0.002 0.000 1.096 121 V CA -0.863 61.447 62.300 0.016 0.000 1.130 121 V CB 0.919 32.755 31.823 0.021 0.000 1.048 121 V HN 0.249 nan 8.190 nan 0.000 0.484 122 Q N 2.832 122.632 119.800 -0.000 0.000 2.259 122 Q HA 0.395 4.735 4.340 0.000 0.000 0.246 122 Q C -2.353 173.637 176.000 -0.018 0.000 0.920 122 Q CA -1.842 53.956 55.803 -0.009 0.000 0.895 122 Q CB 1.318 30.053 28.738 -0.005 0.000 1.220 122 Q HN 0.705 nan 8.270 nan 0.000 0.439 123 P HA -0.070 nan 4.420 nan 0.000 0.264 123 P C 0.180 177.466 177.300 -0.023 0.000 1.193 123 P CA 0.717 63.793 63.100 -0.040 0.000 0.763 123 P CB 0.417 32.089 31.700 -0.048 0.000 0.810 124 G N 1.472 110.261 108.800 -0.018 0.000 2.145 124 G HA2 -0.130 3.830 3.960 0.000 0.000 0.176 124 G HA3 -0.130 3.830 3.960 0.000 0.000 0.176 124 G C -0.128 174.774 174.900 0.003 0.000 1.013 124 G CA -0.372 44.724 45.100 -0.006 0.000 0.689 124 G HN 0.643 nan 8.290 nan 0.000 0.506 125 T N 0.812 115.372 114.554 0.009 0.000 2.771 125 T HA 0.501 4.851 4.350 0.000 0.000 0.281 125 T C 0.203 174.921 174.700 0.030 0.000 0.982 125 T CA -0.328 61.782 62.100 0.018 0.000 0.978 125 T CB 1.879 70.759 68.868 0.019 0.000 0.930 125 T HN 0.438 nan 8.240 nan 0.000 0.447 126 Q N 3.507 123.319 119.800 0.021 0.000 2.271 126 Q HA 0.258 4.598 4.340 0.000 0.000 0.273 126 Q C 0.284 176.296 176.000 0.021 0.000 1.051 126 Q CA -0.155 55.658 55.803 0.018 0.000 0.901 126 Q CB 0.803 29.545 28.738 0.006 0.000 1.174 126 Q HN 0.620 nan 8.270 nan 0.000 0.385 127 V N 4.795 124.721 119.914 0.019 0.000 3.064 127 V HA 0.204 4.324 4.120 0.000 0.000 0.215 127 V C 0.755 176.838 176.094 -0.018 0.000 1.167 127 V CA 0.403 62.709 62.300 0.011 0.000 1.286 127 V CB 0.316 32.149 31.823 0.017 0.000 1.103 127 V HN 0.917 nan 8.190 nan 0.000 0.510 128 M N 0.205 119.774 119.600 -0.053 0.000 2.356 128 M HA 0.709 5.189 4.480 0.000 0.000 0.219 128 M C -0.459 175.796 176.300 -0.075 0.000 1.004 128 M CA 0.084 55.348 55.300 -0.060 0.000 1.427 128 M CB 1.412 33.957 32.600 -0.092 0.000 1.197 128 M HN 0.537 nan 8.290 nan 0.000 0.739 129 A N 0.053 122.816 122.820 -0.095 0.000 2.547 129 A HA 0.646 4.966 4.320 0.000 0.000 0.298 129 A C -1.719 175.735 177.584 -0.217 0.000 1.062 129 A CA -0.626 51.330 52.037 -0.134 0.000 0.748 129 A CB 1.069 20.031 19.000 -0.063 0.000 1.288 129 A HN 0.456 nan 8.150 nan 0.000 0.396 130 V N 1.340 121.016 119.914 -0.396 0.000 2.876 130 V HA 0.822 4.942 4.120 0.000 0.000 0.312 130 V C 0.107 175.923 176.094 -0.465 0.000 1.085 130 V CA -0.448 61.427 62.300 -0.707 0.000 0.945 130 V CB 2.369 33.677 31.823 -0.858 0.000 1.017 130 V HN 1.036 nan 8.190 nan 0.000 0.428 131 S N 1.498 117.089 115.700 -0.182 0.000 2.634 131 S HA 1.013 5.483 4.470 0.000 0.000 0.296 131 S C -0.435 174.315 174.600 0.250 0.000 1.104 131 S CA -0.186 58.078 58.200 0.105 0.000 0.920 131 S CB 2.101 65.432 63.200 0.217 0.000 1.111 131 S HN 1.419 nan 8.310 nan 0.000 0.493 132 A N 0.825 123.744 122.820 0.164 0.000 2.549 132 A HA 0.768 5.088 4.320 0.000 0.000 0.291 132 A C -0.921 176.659 177.584 -0.007 0.000 1.034 132 A CA -0.712 51.329 52.037 0.007 0.000 0.655 132 A CB 0.662 19.424 19.000 -0.398 0.000 1.299 132 A HN 1.066 nan 8.150 nan 0.000 0.427 133 T N -1.199 113.325 114.554 -0.051 0.000 2.843 133 T HA 0.765 5.115 4.350 0.000 0.000 0.302 133 T C -1.689 172.974 174.700 -0.061 0.000 1.232 133 T CA -0.576 61.499 62.100 -0.043 0.000 1.009 133 T CB 2.168 71.034 68.868 -0.003 0.000 1.254 133 T HN 0.767 nan 8.240 nan 0.000 0.504 134 D N -0.522 119.845 120.400 -0.054 0.000 2.619 134 D HA 0.327 4.967 4.640 0.000 0.000 0.241 134 D C 0.300 176.583 176.300 -0.029 0.000 1.087 134 D CA -0.504 53.467 54.000 -0.049 0.000 0.851 134 D CB 2.666 43.429 40.800 -0.063 0.000 1.474 134 D HN 0.730 nan 8.370 nan 0.000 0.478 135 E N 1.159 121.348 120.200 -0.020 0.000 2.385 135 E HA 0.001 4.351 4.350 0.000 0.000 0.194 135 E C -0.102 176.492 176.600 -0.010 0.000 1.013 135 E CA -0.059 56.334 56.400 -0.013 0.000 0.866 135 E CB 0.456 30.150 29.700 -0.009 0.000 0.832 135 E HN 0.481 nan 8.360 nan 0.000 0.500 136 D N 1.179 121.573 120.400 -0.011 0.000 2.372 136 D HA -0.056 4.584 4.640 0.000 0.000 0.243 136 D C 0.072 176.368 176.300 -0.006 0.000 1.297 136 D CA 0.149 54.146 54.000 -0.006 0.000 0.958 136 D CB 0.311 41.107 40.800 -0.007 0.000 1.114 136 D HN -0.019 nan 8.370 nan 0.000 0.496 137 D N -0.957 119.442 120.400 -0.001 0.000 2.390 137 D HA -0.020 4.620 4.640 0.000 0.000 0.236 137 D C 0.081 176.376 176.300 -0.008 0.000 1.189 137 D CA 0.256 54.256 54.000 -0.001 0.000 0.887 137 D CB 0.163 40.966 40.800 0.005 0.000 1.198 137 D HN 0.570 nan 8.370 nan 0.000 0.444 138 N N 2.013 120.708 118.700 -0.008 0.000 2.423 138 N HA 0.126 4.866 4.740 0.000 0.000 0.262 138 N C -0.050 175.455 175.510 -0.008 0.000 1.467 138 N CA -0.219 52.823 53.050 -0.013 0.000 0.847 138 N CB 0.073 38.549 38.487 -0.018 0.000 1.394 138 N HN 0.356 nan 8.380 nan 0.000 0.495 139 I N -0.882 119.686 120.570 -0.003 0.000 4.541 139 I HA 0.241 4.411 4.170 0.000 0.000 0.337 139 I C -0.480 175.637 176.117 0.001 0.000 1.338 139 I CA 0.160 61.460 61.300 -0.001 0.000 1.244 139 I CB 0.764 38.765 38.000 0.002 0.000 1.417 139 I HN 0.027 nan 8.210 nan 0.000 0.501 140 D N -0.271 120.130 120.400 0.001 0.000 2.412 140 D HA 0.150 4.790 4.640 0.000 0.000 0.326 140 D C 0.373 176.674 176.300 0.001 0.000 1.209 140 D CA 0.553 54.554 54.000 0.003 0.000 0.876 140 D CB 1.049 41.853 40.800 0.007 0.000 1.344 140 D HN 0.314 nan 8.370 nan 0.000 0.503 141 S N -0.685 115.013 115.700 -0.002 0.000 2.806 141 S HA 0.576 5.046 4.470 0.000 0.000 0.306 141 S C 0.079 174.671 174.600 -0.012 0.000 1.167 141 S CA -0.627 57.570 58.200 -0.005 0.000 0.847 141 S CB 1.237 64.435 63.200 -0.003 0.000 1.216 141 S HN -0.027 nan 8.310 nan 0.000 0.532 142 L N 0.983 122.196 121.223 -0.016 0.000 2.808 142 L HA 0.329 4.669 4.340 0.000 0.000 0.246 142 L C 0.768 177.619 176.870 -0.031 0.000 1.153 142 L CA -0.172 54.652 54.840 -0.026 0.000 0.956 142 L CB -0.471 41.571 42.059 -0.027 0.000 1.270 142 L HN 0.537 nan 8.230 nan 0.000 0.528 143 N N 1.323 120.010 118.700 -0.023 0.000 2.513 143 N HA -0.109 4.631 4.740 0.000 0.000 0.187 143 N C 1.489 176.980 175.510 -0.032 0.000 1.056 143 N CA 1.262 54.298 53.050 -0.023 0.000 0.907 143 N CB -0.070 38.410 38.487 -0.012 0.000 0.954 143 N HN 0.351 nan 8.380 nan 0.000 0.445 144 G N -0.820 107.958 108.800 -0.036 0.000 3.979 144 G HA2 0.268 4.228 3.960 0.000 0.000 0.287 144 G HA3 0.268 4.228 3.960 0.000 0.000 0.287 144 G C -0.353 174.510 174.900 -0.061 0.000 1.011 144 G CA -0.102 44.971 45.100 -0.045 0.000 0.818 144 G HN 0.189 nan 8.290 nan 0.000 0.470 145 V N -0.454 119.417 119.914 -0.071 0.000 2.435 145 V HA 0.793 4.913 4.120 0.000 0.000 0.290 145 V C -0.527 175.482 176.094 -0.142 0.000 1.030 145 V CA -1.181 61.065 62.300 -0.091 0.000 0.881 145 V CB 1.629 33.413 31.823 -0.066 0.000 0.983 145 V HN -0.092 nan 8.190 nan 0.000 0.445 146 L N 3.819 124.909 121.223 -0.221 0.000 2.365 146 L HA 0.736 5.076 4.340 0.000 0.000 0.267 146 L C 0.382 177.002 176.870 -0.417 0.000 1.033 146 L CA -0.282 54.344 54.840 -0.355 0.000 0.802 146 L CB 1.362 43.098 42.059 -0.537 0.000 1.267 146 L HN 0.938 nan 8.230 nan 0.000 0.457 147 S N -0.232 115.209 115.700 -0.432 0.000 2.672 147 S HA 0.628 5.098 4.470 0.000 0.000 0.291 147 S C -1.071 173.336 174.600 -0.322 0.000 1.145 147 S CA -0.433 57.583 58.200 -0.307 0.000 1.013 147 S CB 0.405 63.522 63.200 -0.138 0.000 1.017 147 S HN 0.311 nan 8.310 nan 0.000 0.487 148 Y N 2.550 122.830 120.300 -0.034 0.000 2.307 148 Y HA 0.644 5.194 4.550 0.000 0.000 0.324 148 Y C 1.134 177.034 175.900 -0.000 0.000 1.238 148 Y CA -0.084 58.003 58.100 -0.021 0.000 1.280 148 Y CB 1.505 39.947 38.460 -0.029 0.000 1.248 148 Y HN 0.793 nan 8.280 nan 0.000 0.508 149 S N 0.835 116.651 115.700 0.192 0.000 2.636 149 S HA 0.786 5.256 4.470 0.000 0.000 0.268 149 S C -1.539 173.120 174.600 0.099 0.000 1.159 149 S CA -0.996 57.271 58.200 0.113 0.000 0.815 149 S CB 1.270 64.516 63.200 0.076 0.000 1.130 149 S HN 0.514 nan 8.310 nan 0.000 0.471 150 I N 0.895 121.506 120.570 0.067 0.000 2.730 150 I HA 0.459 4.629 4.170 0.000 0.000 0.298 150 I C -0.794 175.352 176.117 0.048 0.000 1.089 150 I CA -1.081 60.249 61.300 0.051 0.000 1.041 150 I CB 2.078 40.102 38.000 0.041 0.000 1.235 150 I HN 0.672 nan 8.210 nan 0.000 0.423 151 L N 2.009 123.258 121.223 0.043 0.000 3.521 151 L HA 0.537 4.877 4.340 0.000 0.000 0.323 151 L C -0.105 176.788 176.870 0.038 0.000 1.268 151 L CA -0.341 54.523 54.840 0.040 0.000 1.064 151 L CB -0.273 41.810 42.059 0.039 0.000 1.455 151 L HN 0.603 nan 8.230 nan 0.000 0.622 152 K N 1.756 122.182 120.400 0.042 0.000 2.372 152 K HA 0.239 4.559 4.320 0.000 0.000 0.354 152 K C -1.514 175.124 176.600 0.063 0.000 1.394 152 K CA -0.129 56.187 56.287 0.048 0.000 1.138 152 K CB 0.920 33.441 32.500 0.037 0.000 1.399 152 K HN 0.437 nan 8.250 nan 0.000 0.480 153 Q N 2.521 122.379 119.800 0.096 0.000 2.257 153 Q HA 0.315 4.655 4.340 0.000 0.000 0.255 153 Q C -0.461 175.636 176.000 0.163 0.000 0.920 153 Q CA -0.786 55.109 55.803 0.154 0.000 0.927 153 Q CB 1.860 30.736 28.738 0.230 0.000 1.229 153 Q HN 0.342 nan 8.270 nan 0.000 0.433 154 D N 2.790 123.286 120.400 0.160 0.000 2.376 154 D HA 0.202 4.842 4.640 0.000 0.000 0.268 154 D C -2.056 174.319 176.300 0.124 0.000 1.252 154 D CA -1.434 52.631 54.000 0.108 0.000 1.041 154 D CB 0.058 40.891 40.800 0.055 0.000 1.109 154 D HN 0.510 nan 8.370 nan 0.000 0.552 155 P HA -0.182 nan 4.420 nan 0.000 0.014 155 P C -0.798 176.548 177.300 0.077 0.000 0.540 155 P CA 0.691 63.804 63.100 0.022 0.000 1.035 155 P CB -0.611 30.998 31.700 -0.152 0.000 1.908 156 E N -0.028 120.209 120.200 0.061 0.000 2.401 156 E HA -0.085 4.265 4.350 0.000 0.000 0.203 156 E C 0.350 176.943 176.600 -0.012 0.000 1.229 156 E CA 0.579 57.005 56.400 0.044 0.000 1.000 156 E CB -0.075 29.646 29.700 0.034 0.000 1.052 156 E HN 0.302 nan 8.360 nan 0.000 0.497 157 E N -1.879 118.275 120.200 -0.077 0.000 2.314 157 E HA 0.275 4.625 4.350 0.000 0.000 0.272 157 E C -2.178 174.068 176.600 -0.590 0.000 0.884 157 E CA -2.290 53.968 56.400 -0.237 0.000 0.753 157 E CB 1.600 31.208 29.700 -0.154 0.000 1.213 157 E HN -0.168 nan 8.360 nan 0.000 0.432 158 P HA -0.047 nan 4.420 nan 0.000 0.215 158 P C -0.087 177.123 177.300 -0.150 0.000 1.153 158 P CA 1.378 64.303 63.100 -0.291 0.000 0.853 158 P CB 0.072 31.641 31.700 -0.218 0.000 0.788 159 I N -7.346 113.136 120.570 -0.146 0.000 3.279 159 I HA 0.526 4.696 4.170 0.000 0.000 0.315 159 I C -2.597 173.465 176.117 -0.091 0.000 1.187 159 I CA -2.700 58.541 61.300 -0.099 0.000 0.953 159 I CB 2.625 40.563 38.000 -0.103 0.000 1.279 159 I HN -0.366 nan 8.210 nan 0.000 0.465 160 P HA 0.315 nan 4.420 nan 0.000 0.288 160 P C -1.145 176.128 177.300 -0.045 0.000 1.682 160 P CA -0.097 62.984 63.100 -0.033 0.000 1.270 160 P CB -0.417 31.282 31.700 -0.003 0.000 1.596 161 N N 0.078 118.715 118.700 -0.104 0.000 2.646 161 N HA 0.230 4.970 4.740 0.000 0.000 0.303 161 N C 1.004 176.371 175.510 -0.239 0.000 1.921 161 N CA -0.348 52.637 53.050 -0.108 0.000 0.872 161 N CB 0.239 38.682 38.487 -0.075 0.000 1.327 161 N HN -0.090 nan 8.380 nan 0.000 0.492 162 L N -0.706 120.249 121.223 -0.447 0.000 2.201 162 L HA 0.133 4.473 4.340 0.000 0.000 0.212 162 L C -0.310 175.925 176.870 -1.058 0.000 1.105 162 L CA 1.253 55.539 54.840 -0.924 0.000 0.775 162 L CB -0.316 40.819 42.059 -1.539 0.000 0.913 162 L HN 0.224 nan 8.230 nan 0.000 0.440 163 F N -2.687 117.188 119.950 -0.125 0.000 2.675 163 F HA 0.637 5.164 4.527 0.000 0.000 0.324 163 F C 0.061 175.824 175.800 -0.062 0.000 1.106 163 F CA -1.012 56.933 58.000 -0.092 0.000 0.970 163 F CB 1.404 40.345 39.000 -0.099 0.000 1.385 163 F HN -0.491 nan 8.300 nan 0.000 0.489 164 T N 0.428 115.089 114.554 0.179 0.000 2.816 164 T HA 0.742 5.092 4.350 0.000 0.000 0.299 164 T C -1.943 172.794 174.700 0.061 0.000 1.230 164 T CA -0.531 61.620 62.100 0.087 0.000 1.007 164 T CB 1.707 70.602 68.868 0.046 0.000 1.289 164 T HN 0.708 nan 8.240 nan 0.000 0.508 165 I N 2.509 123.101 120.570 0.036 0.000 2.647 165 I HA 0.484 4.654 4.170 0.000 0.000 0.295 165 I C -0.667 175.464 176.117 0.024 0.000 1.078 165 I CA -0.961 60.344 61.300 0.009 0.000 1.048 165 I CB 1.951 39.950 38.000 -0.002 0.000 1.239 165 I HN 0.563 nan 8.210 nan 0.000 0.421 166 N N 6.472 125.177 118.700 0.007 0.000 2.405 166 N HA 0.089 4.829 4.740 0.000 0.000 0.260 166 N C 0.945 176.509 175.510 0.090 0.000 1.152 166 N CA 0.351 53.419 53.050 0.031 0.000 0.948 166 N CB 0.912 39.405 38.487 0.010 0.000 1.111 166 N HN 0.715 nan 8.380 nan 0.000 0.485 167 R N 3.194 123.756 120.500 0.104 0.000 2.117 167 R HA -0.196 4.144 4.340 0.000 0.000 0.243 167 R C 1.498 177.927 176.300 0.215 0.000 1.143 167 R CA 1.775 57.965 56.100 0.149 0.000 0.968 167 R CB 0.101 30.441 30.300 0.067 0.000 0.863 167 R HN 0.725 nan 8.270 nan 0.000 0.444 168 E N -0.883 119.409 120.200 0.153 0.000 2.060 168 E HA -0.110 4.240 4.350 0.000 0.000 0.189 168 E C 1.569 178.318 176.600 0.248 0.000 0.974 168 E CA 1.583 58.070 56.400 0.145 0.000 0.808 168 E CB 0.125 29.866 29.700 0.070 0.000 0.768 168 E HN 0.512 nan 8.360 nan 0.000 0.453 169 T N -3.497 111.147 114.554 0.150 0.000 3.051 169 T HA 0.219 4.569 4.350 0.000 0.000 0.255 169 T C 1.501 176.093 174.700 -0.181 0.000 1.085 169 T CA 0.666 62.797 62.100 0.052 0.000 1.109 169 T CB 0.452 69.318 68.868 -0.004 0.000 0.921 169 T HN 0.339 nan 8.240 nan 0.000 0.488 170 G N 1.018 109.654 108.800 -0.274 0.000 2.148 170 G HA2 -0.218 3.742 3.960 0.000 0.000 0.254 170 G HA3 -0.218 3.742 3.960 0.000 0.000 0.254 170 G C 0.028 174.688 174.900 -0.400 0.000 0.981 170 G CA 0.015 44.662 45.100 -0.755 0.000 0.670 170 G HN 0.772 nan 8.290 nan 0.000 0.528 171 V N 1.094 120.885 119.914 -0.206 0.000 2.649 171 V HA 0.613 4.733 4.120 0.000 0.000 0.292 171 V C 1.025 177.059 176.094 -0.099 0.000 1.055 171 V CA -0.413 61.803 62.300 -0.139 0.000 1.023 171 V CB 1.624 33.401 31.823 -0.078 0.000 0.992 171 V HN 0.305 nan 8.190 nan 0.000 0.480 172 I N 2.426 122.941 120.570 -0.093 0.000 2.562 172 I HA 0.580 4.750 4.170 0.000 0.000 0.301 172 I C 0.161 176.278 176.117 -0.000 0.000 1.003 172 I CA 0.015 61.282 61.300 -0.056 0.000 1.127 172 I CB 2.033 39.961 38.000 -0.120 0.000 1.304 172 I HN 0.611 nan 8.210 nan 0.000 0.446 173 S N 3.944 119.681 115.700 0.062 0.000 2.595 173 S HA 0.513 4.983 4.470 0.000 0.000 0.281 173 S C -1.054 173.647 174.600 0.168 0.000 1.117 173 S CA -0.552 57.702 58.200 0.089 0.000 0.873 173 S CB 2.166 65.391 63.200 0.041 0.000 1.108 173 S HN 0.413 nan 8.310 nan 0.000 0.477 174 L N 2.746 124.041 121.223 0.120 0.000 2.360 174 L HA 0.483 4.823 4.340 0.000 0.000 0.276 174 L C 0.330 177.166 176.870 -0.057 0.000 1.121 174 L CA 0.618 55.468 54.840 0.016 0.000 0.845 174 L CB 0.057 42.102 42.059 -0.022 0.000 1.143 174 L HN 0.855 nan 8.230 nan 0.000 0.452 175 I N 2.694 123.182 120.570 -0.137 0.000 3.300 175 I HA 0.306 4.476 4.170 0.000 0.000 0.279 175 I C 1.251 177.286 176.117 -0.136 0.000 1.172 175 I CA 0.489 61.726 61.300 -0.105 0.000 1.431 175 I CB 0.355 38.307 38.000 -0.080 0.000 1.240 175 I HN 0.771 nan 8.210 nan 0.000 0.453 176 G N 0.053 108.722 108.800 -0.218 0.000 2.543 176 G HA2 0.468 4.428 3.960 0.000 0.000 0.267 176 G HA3 0.468 4.428 3.960 0.000 0.000 0.267 176 G C -0.710 174.086 174.900 -0.174 0.000 1.406 176 G CA 0.375 45.359 45.100 -0.193 0.000 1.048 176 G HN 0.257 nan 8.290 nan 0.000 0.548 177 T N -4.919 109.546 114.554 -0.148 0.000 3.032 177 T HA 0.581 4.931 4.350 0.000 0.000 0.312 177 T C 0.077 174.721 174.700 -0.093 0.000 1.078 177 T CA 0.323 62.359 62.100 -0.107 0.000 1.028 177 T CB 1.635 70.463 68.868 -0.066 0.000 1.091 177 T HN 2.100 nan 8.240 nan 0.000 0.457 178 G N 2.078 110.837 108.800 -0.067 0.000 2.731 178 G HA2 0.027 3.987 3.960 0.000 0.000 0.219 178 G HA3 0.027 3.987 3.960 0.000 0.000 0.219 178 G C -0.218 174.689 174.900 0.011 0.000 0.989 178 G CA -0.773 44.308 45.100 -0.030 0.000 0.871 178 G HN 0.892 nan 8.290 nan 0.000 0.591 179 L N 1.605 122.832 121.223 0.008 0.000 2.462 179 L HA 0.485 4.825 4.340 0.000 0.000 0.272 179 L C -0.283 176.667 176.870 0.133 0.000 1.166 179 L CA 0.160 55.047 54.840 0.078 0.000 0.880 179 L CB 0.913 43.001 42.059 0.049 0.000 1.142 179 L HN 0.164 nan 8.230 nan 0.000 0.473 180 D N 2.500 123.031 120.400 0.219 0.000 2.855 180 D HA 0.158 4.798 4.640 0.000 0.000 0.241 180 D C 0.549 176.963 176.300 0.190 0.000 1.277 180 D CA -0.610 53.502 54.000 0.187 0.000 0.918 180 D CB 1.523 42.440 40.800 0.195 0.000 1.462 180 D HN 0.366 nan 8.370 nan 0.000 0.559 181 R N 2.469 123.044 120.500 0.126 0.000 2.075 181 R HA -0.120 4.220 4.340 0.000 0.000 0.232 181 R C 0.768 177.096 176.300 0.047 0.000 1.126 181 R CA 1.454 57.611 56.100 0.096 0.000 0.963 181 R CB 0.244 30.586 30.300 0.070 0.000 0.858 181 R HN 0.408 nan 8.270 nan 0.000 0.435 182 E N 0.168 120.389 120.200 0.035 0.000 2.209 182 E HA -0.164 4.186 4.350 0.000 0.000 0.196 182 E C 1.661 178.210 176.600 -0.085 0.000 0.993 182 E CA 1.433 57.827 56.400 -0.010 0.000 0.819 182 E CB 0.125 29.828 29.700 0.006 0.000 0.745 182 E HN 0.335 nan 8.360 nan 0.000 0.477 183 K N -1.141 119.185 120.400 -0.124 0.000 2.344 183 K HA 0.195 4.515 4.320 0.000 0.000 0.200 183 K C -0.383 175.772 176.600 -0.741 0.000 1.132 183 K CA 0.236 56.243 56.287 -0.467 0.000 0.935 183 K CB 0.684 32.828 32.500 -0.592 0.000 1.089 183 K HN -0.003 nan 8.250 nan 0.000 0.496 184 F N 1.537 121.482 119.950 -0.008 0.000 2.771 184 F HA 0.263 4.790 4.527 0.000 0.000 0.365 184 F C -2.092 173.678 175.800 -0.051 0.000 1.169 184 F CA -1.723 56.228 58.000 -0.082 0.000 1.093 184 F CB 1.830 40.771 39.000 -0.098 0.000 1.363 184 F HN -0.093 nan 8.300 nan 0.000 0.496 185 P HA -0.018 nan 4.420 nan 0.000 0.239 185 P C -0.174 177.173 177.300 0.078 0.000 1.188 185 P CA 0.725 63.873 63.100 0.081 0.000 0.794 185 P CB 1.238 32.957 31.700 0.032 0.000 0.937 186 E N -0.255 119.925 120.200 -0.033 0.000 2.317 186 E HA 0.269 4.619 4.350 0.000 0.000 0.270 186 E C -1.376 175.166 176.600 -0.097 0.000 0.899 186 E CA -0.675 55.729 56.400 0.006 0.000 0.814 186 E CB 1.042 30.746 29.700 0.007 0.000 1.296 186 E HN -0.119 nan 8.360 nan 0.000 0.404 187 Y N 1.271 121.621 120.300 0.084 0.000 2.320 187 Y HA 0.367 4.917 4.550 0.000 0.000 0.324 187 Y C 0.413 176.319 175.900 0.010 0.000 1.190 187 Y CA -0.319 57.825 58.100 0.073 0.000 1.215 187 Y CB 2.008 40.552 38.460 0.140 0.000 1.221 187 Y HN 0.243 nan 8.280 nan 0.000 0.486 188 T N 4.831 119.475 114.554 0.150 0.000 2.892 188 T HA 0.558 4.908 4.350 0.000 0.000 0.311 188 T C -0.819 173.916 174.700 0.058 0.000 1.033 188 T CA -0.762 61.376 62.100 0.063 0.000 0.991 188 T CB -0.193 68.693 68.868 0.031 0.000 0.981 188 T HN 0.491 nan 8.240 nan 0.000 0.457 189 L N 0.496 121.724 121.223 0.008 0.000 2.334 189 L HA 0.861 5.201 4.340 0.000 0.000 0.273 189 L C -0.241 176.609 176.870 -0.033 0.000 1.013 189 L CA -1.011 53.827 54.840 -0.004 0.000 0.816 189 L CB 1.417 43.450 42.059 -0.043 0.000 1.278 189 L HN 0.267 nan 8.230 nan 0.000 0.431 190 T N 2.350 116.895 114.554 -0.015 0.000 2.767 190 T HA 0.533 4.883 4.350 0.000 0.000 0.288 190 T C 0.106 174.797 174.700 -0.014 0.000 0.963 190 T CA -0.532 61.552 62.100 -0.027 0.000 1.019 190 T CB 1.592 70.457 68.868 -0.005 0.000 0.923 190 T HN 0.607 nan 8.240 nan 0.000 0.468 191 V N 1.537 121.428 119.914 -0.037 0.000 2.994 191 V HA 0.785 4.905 4.120 0.000 0.000 0.318 191 V C -0.685 175.523 176.094 0.191 0.000 1.085 191 V CA -0.971 61.361 62.300 0.054 0.000 0.998 191 V CB 1.963 33.812 31.823 0.045 0.000 1.063 191 V HN 0.869 nan 8.190 nan 0.000 0.447 192 Q N 1.172 121.150 119.800 0.297 0.000 2.379 192 Q HA 0.778 5.118 4.340 0.000 0.000 0.278 192 Q C -1.417 174.725 176.000 0.237 0.000 1.068 192 Q CA -0.666 55.331 55.803 0.324 0.000 0.816 192 Q CB 2.483 31.317 28.738 0.159 0.000 1.387 192 Q HN 1.374 nan 8.270 nan 0.000 0.413 193 A N 1.773 124.636 122.820 0.072 0.000 2.386 193 A HA 0.866 5.186 4.320 0.000 0.000 0.311 193 A C -1.067 176.418 177.584 -0.165 0.000 1.068 193 A CA -0.382 51.549 52.037 -0.176 0.000 0.743 193 A CB 2.148 20.878 19.000 -0.450 0.000 1.258 193 A HN 0.634 nan 8.150 nan 0.000 0.429 194 T N 0.933 115.367 114.554 -0.200 0.000 2.906 194 T HA 0.420 4.770 4.350 0.000 0.000 0.295 194 T C -0.967 173.647 174.700 -0.143 0.000 1.061 194 T CA -0.463 61.556 62.100 -0.135 0.000 1.000 194 T CB 1.464 70.284 68.868 -0.080 0.000 1.103 194 T HN 0.650 nan 8.240 nan 0.000 0.486 195 D N 1.417 121.757 120.400 -0.099 0.000 2.400 195 D HA 0.190 4.830 4.640 0.000 0.000 0.238 195 D C 0.964 177.222 176.300 -0.071 0.000 1.157 195 D CA 0.077 54.028 54.000 -0.082 0.000 0.889 195 D CB 0.223 40.990 40.800 -0.054 0.000 1.199 195 D HN 0.652 nan 8.370 nan 0.000 0.436 196 L N 1.668 122.852 121.223 -0.064 0.000 3.660 196 L HA -0.289 4.051 4.340 0.000 0.000 0.440 196 L C -0.109 176.728 176.870 -0.055 0.000 1.262 196 L CA 0.296 55.105 54.840 -0.051 0.000 0.837 196 L CB -2.048 39.990 42.059 -0.036 0.000 1.689 196 L HN 0.661 nan 8.230 nan 0.000 0.890 197 E N -1.557 118.597 120.200 -0.077 0.000 2.302 197 E HA -0.197 4.153 4.350 0.000 0.000 0.186 197 E C 1.322 177.883 176.600 -0.065 0.000 1.444 197 E CA 0.651 57.005 56.400 -0.076 0.000 0.671 197 E CB -1.529 28.141 29.700 -0.050 0.000 1.122 197 E HN 1.017 nan 8.360 nan 0.000 0.366 198 G N -0.413 108.338 108.800 -0.082 0.000 2.189 198 G HA2 -0.403 3.557 3.960 0.000 0.000 0.267 198 G HA3 -0.403 3.557 3.960 0.000 0.000 0.267 198 G C 0.942 175.818 174.900 -0.040 0.000 0.975 198 G CA 0.890 45.954 45.100 -0.059 0.000 0.644 198 G HN 0.948 nan 8.290 nan 0.000 0.537 199 A N -0.242 122.554 122.820 -0.040 0.000 1.924 199 A HA 0.598 4.918 4.320 0.000 0.000 0.211 199 A C 2.334 179.903 177.584 -0.025 0.000 1.198 199 A CA 1.730 53.750 52.037 -0.027 0.000 0.657 199 A CB -0.638 18.347 19.000 -0.024 0.000 0.852 199 A HN 1.519 nan 8.150 nan 0.000 0.454 200 G N 0.010 108.791 108.800 -0.032 0.000 2.830 200 G HA2 0.353 4.313 3.960 0.000 0.000 0.172 200 G HA3 0.353 4.313 3.960 0.000 0.000 0.172 200 G C 0.368 175.255 174.900 -0.023 0.000 1.782 200 G CA 0.117 45.201 45.100 -0.027 0.000 0.900 200 G HN 0.354 nan 8.290 nan 0.000 0.389 201 L N 0.202 121.409 121.223 -0.027 0.000 2.352 201 L HA 0.589 4.929 4.340 0.000 0.000 0.269 201 L C -0.035 176.820 176.870 -0.024 0.000 1.034 201 L CA -0.695 54.134 54.840 -0.018 0.000 0.806 201 L CB 2.111 44.162 42.059 -0.014 0.000 1.244 201 L HN 0.482 nan 8.230 nan 0.000 0.447 202 S N 0.064 115.761 115.700 -0.005 0.000 2.632 202 S HA 0.913 5.383 4.470 0.000 0.000 0.289 202 S C -0.594 174.033 174.600 0.044 0.000 1.115 202 S CA -0.757 57.446 58.200 0.006 0.000 0.889 202 S CB 2.213 65.424 63.200 0.018 0.000 1.116 202 S HN 0.599 nan 8.310 nan 0.000 0.486 203 V N -2.071 117.898 119.914 0.092 0.000 3.202 203 V HA 0.901 5.021 4.120 0.000 0.000 0.306 203 V C -1.920 174.386 176.094 0.354 0.000 1.283 203 V CA -1.179 61.233 62.300 0.188 0.000 1.065 203 V CB 1.443 33.384 31.823 0.197 0.000 1.079 203 V HN 0.919 nan 8.190 nan 0.000 0.448 204 E N 0.028 120.437 120.200 0.348 0.000 2.299 204 E HA 0.887 5.237 4.350 0.000 0.000 0.265 204 E C 0.033 176.533 176.600 -0.167 0.000 0.911 204 E CA 0.015 56.536 56.400 0.203 0.000 0.789 204 E CB 2.027 31.762 29.700 0.059 0.000 1.246 204 E HN 1.213 nan 8.360 nan 0.000 0.427 205 G N 0.254 108.689 108.800 -0.608 0.000 3.135 205 G HA2 0.759 4.719 3.960 0.000 0.000 0.278 205 G HA3 0.759 4.719 3.960 0.000 0.000 0.278 205 G C -1.232 173.446 174.900 -0.371 0.000 1.302 205 G CA -0.760 43.799 45.100 -0.902 0.000 0.880 205 G HN 0.244 nan 8.290 nan 0.000 0.574 206 K N -0.939 119.309 120.400 -0.254 0.000 2.575 206 K HA 0.585 4.905 4.320 0.000 0.000 0.255 206 K C -1.412 175.173 176.600 -0.026 0.000 0.953 206 K CA -0.509 55.713 56.287 -0.109 0.000 0.840 206 K CB 2.296 34.755 32.500 -0.068 0.000 1.303 206 K HN 0.824 nan 8.250 nan 0.000 0.438 207 A N 4.034 126.827 122.820 -0.045 0.000 2.371 207 A HA 0.795 5.115 4.320 0.000 0.000 0.311 207 A C -1.041 176.522 177.584 -0.035 0.000 1.068 207 A CA -0.665 51.361 52.037 -0.018 0.000 0.744 207 A CB 0.723 19.661 19.000 -0.103 0.000 1.239 207 A HN 0.640 nan 8.150 nan 0.000 0.435 208 I N 2.717 123.281 120.570 -0.010 0.000 2.466 208 I HA 0.389 4.559 4.170 0.000 0.000 0.289 208 I C -1.048 175.068 176.117 -0.001 0.000 1.026 208 I CA -0.373 60.925 61.300 -0.003 0.000 1.078 208 I CB 1.889 39.894 38.000 0.009 0.000 1.249 208 I HN 0.520 nan 8.210 nan 0.000 0.429 209 I N 5.714 126.292 120.570 0.014 0.000 2.378 209 I HA 0.329 4.499 4.170 0.000 0.000 0.291 209 I C -0.131 176.054 176.117 0.114 0.000 0.992 209 I CA -0.559 60.762 61.300 0.035 0.000 1.154 209 I CB 1.502 39.481 38.000 -0.034 0.000 1.315 209 I HN 0.500 nan 8.210 nan 0.000 0.448 210 Q N 6.063 125.914 119.800 0.086 0.000 2.214 210 Q HA 0.569 4.909 4.340 0.000 0.000 0.251 210 Q C -1.044 175.027 176.000 0.118 0.000 0.936 210 Q CA -0.711 55.148 55.803 0.094 0.000 0.894 210 Q CB 2.237 31.006 28.738 0.053 0.000 1.252 210 Q HN 0.601 nan 8.270 nan 0.000 0.448 211 I N 2.805 123.455 120.570 0.132 0.000 2.328 211 I HA 0.165 4.335 4.170 0.000 0.000 0.287 211 I C 0.579 176.751 176.117 0.091 0.000 1.012 211 I CA -0.415 60.966 61.300 0.136 0.000 1.195 211 I CB 1.613 39.729 38.000 0.194 0.000 1.350 211 I HN 0.500 nan 8.210 nan 0.000 0.464 212 T N 4.282 118.880 114.554 0.073 0.000 2.595 212 T HA -0.084 4.266 4.350 0.000 0.000 0.339 212 T C 0.068 174.802 174.700 0.056 0.000 1.059 212 T CA 0.097 62.229 62.100 0.054 0.000 1.035 212 T CB 0.487 69.383 68.868 0.046 0.000 1.003 212 T HN 0.562 nan 8.240 nan 0.000 0.540 213 D N -0.657 119.771 120.400 0.046 0.000 2.272 213 D HA 0.582 5.222 4.640 0.000 0.000 0.247 213 D C -0.865 175.467 176.300 0.054 0.000 0.990 213 D CA -0.509 53.521 54.000 0.049 0.000 0.931 213 D CB 1.791 42.615 40.800 0.040 0.000 1.195 213 D HN 0.627 nan 8.370 nan 0.000 0.477 214 A N 1.877 124.733 122.820 0.061 0.000 2.515 214 A HA 0.328 4.648 4.320 0.000 0.000 0.296 214 A C -0.297 177.335 177.584 0.080 0.000 1.094 214 A CA -0.718 51.358 52.037 0.066 0.000 0.718 214 A CB 1.317 20.355 19.000 0.063 0.000 1.307 214 A HN 0.517 nan 8.150 nan 0.000 0.408 215 N N 0.614 119.372 118.700 0.097 0.000 3.111 215 N HA 0.120 4.860 4.740 0.000 0.000 0.302 215 N C -0.049 175.538 175.510 0.128 0.000 1.317 215 N CA 0.233 53.366 53.050 0.138 0.000 1.151 215 N CB -0.225 38.371 38.487 0.182 0.000 1.456 215 N HN 0.583 nan 8.380 nan 0.000 0.547 216 D N -1.378 119.071 120.400 0.081 0.000 2.178 216 D HA -0.077 4.563 4.640 0.000 0.000 0.201 216 D C -0.005 176.302 176.300 0.012 0.000 0.980 216 D CA 1.117 55.145 54.000 0.047 0.000 0.842 216 D CB 0.092 40.917 40.800 0.043 0.000 0.948 216 D HN 0.391 nan 8.370 nan 0.000 0.472 217 N N 0.241 118.958 118.700 0.028 0.000 2.430 217 N HA 0.536 5.276 4.740 0.000 0.000 0.298 217 N C -0.810 174.669 175.510 -0.052 0.000 1.130 217 N CA -0.578 52.462 53.050 -0.016 0.000 0.894 217 N CB 1.960 40.456 38.487 0.014 0.000 1.209 217 N HN 0.005 nan 8.380 nan 0.000 0.503 218 A N 1.468 124.202 122.820 -0.144 0.000 2.281 218 A HA 0.690 5.010 4.320 0.000 0.000 0.329 218 A C -2.490 175.028 177.584 -0.111 0.000 1.122 218 A CA -1.509 50.408 52.037 -0.200 0.000 0.850 218 A CB 0.486 19.282 19.000 -0.339 0.000 1.207 218 A HN 0.393 nan 8.150 nan 0.000 0.495 219 P HA 0.521 nan 4.420 nan 0.000 0.284 219 P C -1.071 176.109 177.300 -0.199 0.000 1.253 219 P CA 0.045 63.031 63.100 -0.190 0.000 0.800 219 P CB 0.765 32.301 31.700 -0.273 0.000 0.961 220 I N 3.218 123.672 120.570 -0.194 0.000 2.447 220 I HA 0.281 4.451 4.170 0.000 0.000 0.287 220 I C -0.291 175.754 176.117 -0.120 0.000 1.023 220 I CA -0.908 60.327 61.300 -0.109 0.000 1.083 220 I CB 1.141 39.128 38.000 -0.022 0.000 1.245 220 I HN 0.223 nan 8.210 nan 0.000 0.434 221 F N 5.030 125.007 119.950 0.046 0.000 2.571 221 F HA -0.067 4.460 4.527 0.000 0.000 0.390 221 F C 1.641 177.481 175.800 0.067 0.000 1.043 221 F CA 0.399 58.450 58.000 0.085 0.000 1.164 221 F CB 0.191 39.264 39.000 0.121 0.000 1.049 221 F HN 0.508 nan 8.300 nan 0.000 0.552 222 D N 3.531 124.060 120.400 0.216 0.000 2.378 222 D HA 0.061 4.701 4.640 0.000 0.000 0.227 222 D C -1.851 174.482 176.300 0.055 0.000 1.012 222 D CA 0.178 54.257 54.000 0.132 0.000 0.905 222 D CB -0.193 40.642 40.800 0.058 0.000 0.895 222 D HN 0.356 nan 8.370 nan 0.000 0.532 223 P HA 0.299 nan 4.420 nan 0.000 0.293 223 P C 0.021 177.314 177.300 -0.013 0.000 1.303 223 P CA -0.414 62.558 63.100 -0.213 0.000 0.972 223 P CB 2.218 33.371 31.700 -0.911 0.000 1.377 224 K N -0.767 119.594 120.400 -0.064 0.000 2.399 224 K HA 0.208 4.528 4.320 0.000 0.000 0.196 224 K C -0.307 176.260 176.600 -0.056 0.000 1.117 224 K CA 0.733 56.993 56.287 -0.044 0.000 0.965 224 K CB 0.384 32.869 32.500 -0.026 0.000 0.983 224 K HN 0.507 nan 8.250 nan 0.000 0.531 225 T N -1.058 113.470 114.554 -0.043 0.000 2.949 225 T HA 0.477 4.827 4.350 0.000 0.000 0.300 225 T C -0.684 174.032 174.700 0.026 0.000 0.988 225 T CA -0.811 61.298 62.100 0.015 0.000 0.993 225 T CB 0.414 69.269 68.868 -0.022 0.000 0.984 225 T HN 0.008 nan 8.240 nan 0.000 0.442 226 Y N 1.463 121.712 120.300 -0.085 0.000 2.618 226 Y HA 0.811 5.361 4.550 0.000 0.000 0.326 226 Y C 1.094 176.960 175.900 -0.056 0.000 1.168 226 Y CA -0.967 57.094 58.100 -0.065 0.000 1.269 226 Y CB 2.277 40.692 38.460 -0.075 0.000 1.388 226 Y HN 0.902 nan 8.280 nan 0.000 0.528 227 T N -1.153 113.497 114.554 0.159 0.000 2.932 227 T HA 0.860 5.210 4.350 0.000 0.000 0.318 227 T C -1.292 173.443 174.700 0.059 0.000 1.265 227 T CA -0.733 61.411 62.100 0.073 0.000 1.036 227 T CB 1.577 70.472 68.868 0.044 0.000 1.209 227 T HN 1.065 nan 8.240 nan 0.000 0.484 228 A N 1.880 124.721 122.820 0.035 0.000 2.612 228 A HA 0.816 5.136 4.320 0.000 0.000 0.293 228 A C -1.642 175.967 177.584 0.042 0.000 1.075 228 A CA -1.018 51.038 52.037 0.032 0.000 0.680 228 A CB 1.313 20.313 19.000 0.000 0.000 1.279 228 A HN 0.962 nan 8.150 nan 0.000 0.411 229 L N 0.632 121.890 121.223 0.059 0.000 2.334 229 L HA 0.864 5.204 4.340 0.000 0.000 0.270 229 L C -0.383 176.548 176.870 0.103 0.000 1.018 229 L CA -1.028 53.851 54.840 0.065 0.000 0.811 229 L CB 1.944 44.034 42.059 0.051 0.000 1.271 229 L HN 0.919 nan 8.230 nan 0.000 0.443 230 V N -0.350 119.608 119.914 0.073 0.000 3.120 230 V HA 0.657 4.777 4.120 0.000 0.000 0.303 230 V C -3.024 173.049 176.094 -0.036 0.000 1.238 230 V CA -2.015 60.335 62.300 0.084 0.000 1.008 230 V CB 2.275 34.163 31.823 0.109 0.000 1.064 230 V HN 0.445 nan 8.190 nan 0.000 0.434 231 P HA 0.497 nan 4.420 nan 0.000 0.296 231 P C 0.456 177.637 177.300 -0.199 0.000 1.301 231 P CA -0.276 62.719 63.100 -0.175 0.000 0.862 231 P CB 1.911 33.463 31.700 -0.247 0.000 1.046 232 E N 1.919 122.001 120.200 -0.197 0.000 2.033 232 E HA -0.197 4.153 4.350 0.000 0.000 0.199 232 E C 0.078 176.573 176.600 -0.174 0.000 1.011 232 E CA 1.447 57.716 56.400 -0.219 0.000 0.815 232 E CB -0.012 29.590 29.700 -0.163 0.000 0.755 232 E HN 0.369 nan 8.360 nan 0.000 0.451 233 N N -0.502 118.113 118.700 -0.141 0.000 2.675 233 N HA 0.065 4.805 4.740 0.000 0.000 0.254 233 N C -0.579 174.868 175.510 -0.105 0.000 1.224 233 N CA -0.056 52.928 53.050 -0.111 0.000 0.777 233 N CB 0.906 39.347 38.487 -0.076 0.000 1.256 233 N HN -0.014 nan 8.380 nan 0.000 0.531 234 E N 1.271 121.402 120.200 -0.115 0.000 2.940 234 E HA 0.138 4.488 4.350 0.000 0.000 0.203 234 E C 0.572 177.130 176.600 -0.070 0.000 0.995 234 E CA -0.191 56.150 56.400 -0.097 0.000 1.396 234 E CB 0.766 30.387 29.700 -0.131 0.000 1.310 234 E HN 0.592 nan 8.360 nan 0.000 0.613 235 I N 0.778 121.299 120.570 -0.082 0.000 3.276 235 I HA -0.088 4.082 4.170 0.000 0.000 0.341 235 I C -0.024 176.094 176.117 0.001 0.000 1.151 235 I CA 1.344 62.621 61.300 -0.038 0.000 1.496 235 I CB 0.209 38.170 38.000 -0.065 0.000 1.264 235 I HN 0.161 nan 8.210 nan 0.000 0.525 236 G N 6.836 115.674 108.800 0.063 0.000 1.974 236 G HA2 0.469 4.429 3.960 0.000 0.000 0.303 236 G HA3 0.469 4.429 3.960 0.000 0.000 0.303 236 G C -1.327 173.679 174.900 0.175 0.000 2.080 236 G CA -0.249 44.893 45.100 0.070 0.000 0.896 236 G HN 1.203 nan 8.290 nan 0.000 0.514 237 F N 1.276 121.203 119.950 -0.037 0.000 2.665 237 F HA 0.698 5.225 4.527 0.000 0.000 0.308 237 F C -0.468 175.321 175.800 -0.019 0.000 1.112 237 F CA -1.097 56.886 58.000 -0.029 0.000 0.972 237 F CB 1.595 40.573 39.000 -0.037 0.000 1.295 237 F HN 0.412 nan 8.300 nan 0.000 0.440 238 E N 3.921 123.657 120.200 -0.772 0.000 2.463 238 E HA 0.096 4.446 4.350 0.000 0.000 0.248 238 E C 0.238 176.184 176.600 -1.091 0.000 1.106 238 E CA -0.005 55.941 56.400 -0.757 0.000 0.946 238 E CB 1.139 30.579 29.700 -0.434 0.000 0.971 238 E HN 0.731 nan 8.360 nan 0.000 0.478 239 V N 3.973 123.517 119.914 -0.616 0.000 2.256 239 V HA -0.048 4.072 4.120 0.000 0.000 0.240 239 V C 0.318 176.256 176.094 -0.260 0.000 1.036 239 V CA 1.840 63.900 62.300 -0.400 0.000 1.008 239 V CB 0.216 31.916 31.823 -0.204 0.000 0.648 239 V HN 0.820 nan 8.190 nan 0.000 0.453 240 Q N -0.668 118.991 119.800 -0.234 0.000 2.435 240 Q HA 0.471 4.811 4.340 0.000 0.000 0.282 240 Q C -0.982 174.891 176.000 -0.212 0.000 1.020 240 Q CA -0.618 55.080 55.803 -0.176 0.000 0.820 240 Q CB 1.747 30.395 28.738 -0.151 0.000 1.436 240 Q HN 0.482 nan 8.270 nan 0.000 0.395 241 R N 1.361 121.775 120.500 -0.143 0.000 2.720 241 R HA 0.745 5.085 4.340 0.000 0.000 0.272 241 R C -0.940 175.278 176.300 -0.136 0.000 0.991 241 R CA -0.737 55.279 56.100 -0.140 0.000 1.010 241 R CB 1.071 31.334 30.300 -0.061 0.000 1.141 241 R HN 0.547 nan 8.270 nan 0.000 0.494 242 L N 0.028 121.159 121.223 -0.153 0.000 2.354 242 L HA 0.482 4.822 4.340 0.000 0.000 0.264 242 L C -0.490 176.463 176.870 0.137 0.000 1.008 242 L CA -0.460 54.361 54.840 -0.032 0.000 0.819 242 L CB 2.300 44.209 42.059 -0.250 0.000 1.339 242 L HN 0.532 nan 8.230 nan 0.000 0.420 243 S N 0.667 116.547 115.700 0.301 0.000 2.537 243 S HA 0.939 5.409 4.470 0.000 0.000 0.301 243 S C -0.674 174.006 174.600 0.134 0.000 1.092 243 S CA -0.710 57.593 58.200 0.173 0.000 1.048 243 S CB 2.204 65.492 63.200 0.148 0.000 1.053 243 S HN 0.592 nan 8.310 nan 0.000 0.501 244 V N -1.062 118.848 119.914 -0.005 0.000 3.258 244 V HA 0.950 5.070 4.120 0.000 0.000 0.299 244 V C -1.199 174.822 176.094 -0.122 0.000 1.376 244 V CA -0.969 61.253 62.300 -0.130 0.000 1.063 244 V CB 1.696 33.319 31.823 -0.333 0.000 1.103 244 V HN 0.987 nan 8.190 nan 0.000 0.451 245 T N -1.043 113.432 114.554 -0.130 0.000 3.176 245 T HA 0.440 4.790 4.350 0.000 0.000 0.337 245 T C -0.992 173.665 174.700 -0.072 0.000 0.957 245 T CA -0.300 61.757 62.100 -0.071 0.000 1.092 245 T CB 0.740 69.615 68.868 0.011 0.000 1.018 245 T HN 1.080 nan 8.240 nan 0.000 0.473 246 D N 2.121 122.451 120.400 -0.116 0.000 2.312 246 D HA 0.334 4.974 4.640 0.000 0.000 0.248 246 D C 0.299 176.675 176.300 0.127 0.000 1.086 246 D CA -0.694 53.279 54.000 -0.044 0.000 0.948 246 D CB 1.510 42.238 40.800 -0.120 0.000 1.162 246 D HN 0.388 nan 8.370 nan 0.000 0.446 247 L N 1.987 123.284 121.223 0.123 0.000 2.766 247 L HA 0.174 4.514 4.340 0.000 0.000 0.242 247 L C 0.837 177.789 176.870 0.137 0.000 1.136 247 L CA -0.121 54.800 54.840 0.134 0.000 0.933 247 L CB 0.017 42.114 42.059 0.063 0.000 1.241 247 L HN 0.275 nan 8.230 nan 0.000 0.522 248 D N -0.418 120.085 120.400 0.171 0.000 2.289 248 D HA 0.040 4.680 4.640 0.000 0.000 0.266 248 D C 0.393 176.759 176.300 0.109 0.000 1.243 248 D CA -0.268 53.810 54.000 0.129 0.000 1.019 248 D CB 0.380 41.260 40.800 0.134 0.000 1.126 248 D HN -0.054 nan 8.370 nan 0.000 0.541 249 M N 1.124 120.753 119.600 0.049 0.000 2.220 249 M HA 0.076 4.556 4.480 0.000 0.000 0.343 249 M C -1.901 174.287 176.300 -0.186 0.000 1.470 249 M CA -1.225 54.038 55.300 -0.063 0.000 1.161 249 M CB 1.209 33.785 32.600 -0.041 0.000 1.737 249 M HN -0.037 nan 8.290 nan 0.000 0.464 250 P HA -0.252 nan 4.420 nan 0.000 0.216 250 P C 0.920 177.763 177.300 -0.761 0.000 1.062 250 P CA 2.405 64.728 63.100 -1.296 0.000 0.995 250 P CB -0.168 30.927 31.700 -1.008 0.000 0.762 251 G N -2.432 106.135 108.800 -0.388 0.000 2.708 251 G HA2 -0.057 3.904 3.960 0.000 0.000 0.210 251 G HA3 -0.057 3.904 3.960 0.000 0.000 0.210 251 G C 0.169 175.066 174.900 -0.006 0.000 1.141 251 G CA 0.487 45.495 45.100 -0.154 0.000 0.788 251 G HN 0.301 nan 8.290 nan 0.000 0.531 252 T N 0.793 115.361 114.554 0.024 0.000 2.907 252 T HA 0.342 4.692 4.350 0.000 0.000 0.284 252 T C -1.846 172.957 174.700 0.171 0.000 1.004 252 T CA -1.179 60.974 62.100 0.088 0.000 1.063 252 T CB 2.156 71.059 68.868 0.059 0.000 0.992 252 T HN -0.240 nan 8.240 nan 0.000 0.483 253 P HA 0.065 nan 4.420 nan 0.000 0.234 253 P C 0.501 177.845 177.300 0.073 0.000 1.162 253 P CA 0.327 63.472 63.100 0.075 0.000 0.759 253 P CB 0.029 31.748 31.700 0.032 0.000 0.813 254 A N -3.621 119.274 122.820 0.125 0.000 2.465 254 A HA 0.195 4.515 4.320 0.000 0.000 0.255 254 A C 1.111 178.825 177.584 0.217 0.000 1.274 254 A CA -0.271 51.846 52.037 0.134 0.000 0.920 254 A CB -0.801 18.275 19.000 0.127 0.000 1.033 254 A HN 0.291 nan 8.150 nan 0.000 0.516 255 W N -0.870 120.427 121.300 -0.006 0.000 2.121 255 W HA 0.290 4.950 4.660 0.000 0.000 0.275 255 W C 0.172 176.675 176.519 -0.027 0.000 0.903 255 W CA 0.122 57.460 57.345 -0.013 0.000 1.253 255 W CB 0.677 30.132 29.460 -0.008 0.000 1.016 255 W HN 0.150 nan 8.180 nan 0.000 0.537 256 Q N 2.361 122.190 119.800 0.049 0.000 2.274 256 Q HA 0.513 4.853 4.340 0.000 0.000 0.256 256 Q C -0.266 175.616 176.000 -0.197 0.000 0.927 256 Q CA 0.027 55.782 55.803 -0.081 0.000 0.939 256 Q CB 1.579 30.337 28.738 0.032 0.000 1.201 256 Q HN 0.117 nan 8.270 nan 0.000 0.426 257 A N 3.499 126.140 122.820 -0.299 0.000 2.340 257 A HA 0.577 4.897 4.320 0.000 0.000 0.268 257 A C -0.697 176.661 177.584 -0.377 0.000 1.100 257 A CA -0.441 51.347 52.037 -0.414 0.000 0.803 257 A CB 0.938 19.618 19.000 -0.534 0.000 1.043 257 A HN 0.510 nan 8.150 nan 0.000 0.488 258 V N 2.469 122.090 119.914 -0.488 0.000 2.638 258 V HA 0.464 4.584 4.120 0.000 0.000 0.306 258 V C -0.984 174.858 176.094 -0.420 0.000 1.052 258 V CA -0.277 61.843 62.300 -0.300 0.000 0.885 258 V CB 1.113 32.839 31.823 -0.161 0.000 0.999 258 V HN 0.911 nan 8.190 nan 0.000 0.424 259 Y N 3.051 123.347 120.300 -0.007 0.000 2.782 259 Y HA 0.854 5.404 4.550 0.000 0.000 0.329 259 Y C 0.251 176.164 175.900 0.021 0.000 1.192 259 Y CA -1.005 57.106 58.100 0.019 0.000 1.216 259 Y CB 1.300 39.773 38.460 0.021 0.000 1.447 259 Y HN 0.587 nan 8.280 nan 0.000 0.616 260 K N 0.351 120.902 120.400 0.253 0.000 2.976 260 K HA 0.188 4.508 4.320 0.000 0.000 0.326 260 K C -1.863 174.803 176.600 0.111 0.000 1.180 260 K CA -0.707 55.661 56.287 0.136 0.000 0.936 260 K CB 0.011 32.568 32.500 0.095 0.000 1.355 260 K HN 0.652 nan 8.250 nan 0.000 0.388 261 I N -0.242 120.373 120.570 0.074 0.000 2.834 261 I HA 0.336 4.506 4.170 0.000 0.000 0.305 261 I C 0.881 177.032 176.117 0.056 0.000 1.008 261 I CA -0.672 60.657 61.300 0.048 0.000 1.273 261 I CB 1.062 39.087 38.000 0.042 0.000 1.432 261 I HN 0.753 nan 8.210 nan 0.000 0.557 262 R N 2.829 123.356 120.500 0.046 0.000 2.057 262 R HA 0.248 4.588 4.340 0.000 0.000 0.224 262 R C -0.077 176.254 176.300 0.052 0.000 1.136 262 R CA 0.934 57.061 56.100 0.046 0.000 0.968 262 R CB -0.208 30.114 30.300 0.037 0.000 0.863 262 R HN 0.566 nan 8.270 nan 0.000 0.433 263 V N 2.431 122.382 119.914 0.062 0.000 2.483 263 V HA 0.218 4.338 4.120 0.000 0.000 0.297 263 V C -0.542 175.625 176.094 0.122 0.000 1.027 263 V CA -0.898 61.448 62.300 0.077 0.000 0.855 263 V CB 1.912 33.779 31.823 0.073 0.000 0.995 263 V HN 0.170 nan 8.190 nan 0.000 0.424 264 N N 3.062 121.835 118.700 0.122 0.000 2.801 264 N HA 0.143 4.883 4.740 0.000 0.000 0.235 264 N C 0.983 176.573 175.510 0.133 0.000 1.069 264 N CA -0.117 53.044 53.050 0.185 0.000 0.946 264 N CB 1.273 39.836 38.487 0.126 0.000 1.212 264 N HN 0.861 nan 8.380 nan 0.000 0.509 265 E N 2.609 122.980 120.200 0.284 0.000 2.160 265 E HA -0.219 4.131 4.350 0.000 0.000 0.237 265 E C 1.177 177.687 176.600 -0.150 0.000 1.069 265 E CA 2.467 59.017 56.400 0.251 0.000 0.950 265 E CB -0.444 29.690 29.700 0.723 0.000 0.832 265 E HN 0.598 nan 8.360 nan 0.000 0.496 266 G N -2.386 105.811 108.800 -1.006 0.000 3.453 266 G HA2 0.386 4.346 3.960 0.000 0.000 0.263 266 G HA3 0.386 4.346 3.960 0.000 0.000 0.263 266 G C 0.611 174.807 174.900 -1.175 0.000 1.060 266 G CA 0.213 44.456 45.100 -1.428 0.000 0.793 266 G HN 0.802 nan 8.290 nan 0.000 0.532 267 G N 0.801 109.195 108.800 -0.676 0.000 2.295 267 G HA2 -0.286 3.674 3.960 0.000 0.000 0.287 267 G HA3 -0.286 3.674 3.960 0.000 0.000 0.287 267 G C 0.319 175.093 174.900 -0.210 0.000 1.055 267 G CA 0.347 45.291 45.100 -0.259 0.000 0.922 267 G HN 0.943 nan 8.290 nan 0.000 0.503 268 F N -1.764 118.095 119.950 -0.151 0.000 2.983 268 F HA 0.731 5.258 4.527 0.000 0.000 0.307 268 F C 0.020 175.302 175.800 -0.864 0.000 1.218 268 F CA -1.450 56.288 58.000 -0.437 0.000 1.323 268 F CB 0.174 38.873 39.000 -0.503 0.000 0.989 268 F HN -0.036 nan 8.300 nan 0.000 0.509 269 F N 0.760 120.816 119.950 0.176 0.000 2.615 269 F HA 0.404 4.931 4.527 0.000 0.000 0.312 269 F C -0.773 175.045 175.800 0.031 0.000 1.119 269 F CA -1.219 56.821 58.000 0.068 0.000 0.979 269 F CB 1.914 40.942 39.000 0.046 0.000 1.266 269 F HN -0.047 nan 8.300 nan 0.000 0.444 270 N N 2.341 121.166 118.700 0.210 0.000 2.229 270 N HA 0.702 5.442 4.740 0.000 0.000 0.298 270 N C -1.924 173.625 175.510 0.066 0.000 1.114 270 N CA -0.538 52.577 53.050 0.109 0.000 0.776 270 N CB 2.364 40.888 38.487 0.061 0.000 1.501 270 N HN 0.726 nan 8.380 nan 0.000 0.474 271 I N 1.267 121.858 120.570 0.034 0.000 2.571 271 I HA 0.465 4.635 4.170 0.000 0.000 0.289 271 I C -0.948 175.172 176.117 0.004 0.000 1.115 271 I CA -0.203 61.085 61.300 -0.020 0.000 1.045 271 I CB 1.787 39.747 38.000 -0.067 0.000 1.238 271 I HN 0.460 nan 8.210 nan 0.000 0.424 272 T N 3.992 118.535 114.554 -0.017 0.000 2.919 272 T HA 0.600 4.950 4.350 0.000 0.000 0.282 272 T C -0.470 174.249 174.700 0.033 0.000 1.020 272 T CA -0.515 61.598 62.100 0.021 0.000 0.994 272 T CB 1.806 70.680 68.868 0.010 0.000 1.180 272 T HN 0.606 nan 8.240 nan 0.000 0.566 273 T N 1.152 115.753 114.554 0.078 0.000 2.932 273 T HA 0.683 5.033 4.350 0.000 0.000 0.289 273 T C -1.247 173.486 174.700 0.055 0.000 1.039 273 T CA -0.793 61.376 62.100 0.115 0.000 1.024 273 T CB 1.676 70.636 68.868 0.153 0.000 1.090 273 T HN 0.632 nan 8.240 nan 0.000 0.496 274 D N 0.708 121.136 120.400 0.047 0.000 2.936 274 D HA 0.379 5.019 4.640 0.000 0.000 0.238 274 D C -2.763 173.569 176.300 0.053 0.000 1.248 274 D CA -2.278 51.745 54.000 0.039 0.000 0.903 274 D CB 2.058 42.872 40.800 0.024 0.000 1.544 274 D HN 0.035 nan 8.370 nan 0.000 0.543 275 P HA 0.085 nan 4.420 nan 0.000 0.238 275 P C -0.178 177.209 177.300 0.145 0.000 1.649 275 P CA 0.442 63.622 63.100 0.134 0.000 0.960 275 P CB -0.047 31.726 31.700 0.121 0.000 1.911 276 E N -1.844 118.432 120.200 0.128 0.000 2.357 276 E HA 0.148 4.498 4.350 0.000 0.000 0.190 276 E C 0.584 177.296 176.600 0.187 0.000 1.022 276 E CA -0.097 56.377 56.400 0.123 0.000 1.068 276 E CB -0.302 29.441 29.700 0.072 0.000 1.465 276 E HN -0.087 nan 8.360 nan 0.000 0.503 277 S N 0.706 116.478 115.700 0.120 0.000 2.901 277 S HA 0.139 4.609 4.470 0.000 0.000 0.248 277 S C -0.621 173.937 174.600 -0.069 0.000 1.021 277 S CA 0.063 58.332 58.200 0.114 0.000 1.090 277 S CB -1.004 62.252 63.200 0.093 0.000 1.039 277 S HN 0.510 nan 8.310 nan 0.000 0.514 278 N N 1.345 120.001 118.700 -0.074 0.000 2.745 278 N HA -0.247 4.493 4.740 0.000 0.000 0.271 278 N C -0.123 175.359 175.510 -0.048 0.000 0.960 278 N CA 0.418 53.401 53.050 -0.112 0.000 0.833 278 N CB -0.919 37.392 38.487 -0.292 0.000 0.919 278 N HN 0.586 nan 8.380 nan 0.000 0.566 279 Q N -0.034 119.763 119.800 -0.005 0.000 2.443 279 Q HA 0.235 4.575 4.340 0.000 0.000 0.232 279 Q C 0.784 176.769 176.000 -0.025 0.000 1.026 279 Q CA 0.165 55.970 55.803 0.003 0.000 0.924 279 Q CB 0.800 29.535 28.738 -0.005 0.000 1.256 279 Q HN 0.538 nan 8.270 nan 0.000 0.519 280 G N 1.331 110.022 108.800 -0.182 0.000 2.350 280 G HA2 0.425 4.385 3.960 0.000 0.000 0.306 280 G HA3 0.425 4.385 3.960 0.000 0.000 0.306 280 G C -0.883 173.797 174.900 -0.365 0.000 1.094 280 G CA -0.420 44.337 45.100 -0.572 0.000 0.953 280 G HN 0.546 nan 8.290 nan 0.000 0.420 281 I N 3.914 124.327 120.570 -0.262 0.000 2.330 281 I HA 0.407 4.577 4.170 0.000 0.000 0.286 281 I C -0.327 175.672 176.117 -0.196 0.000 1.025 281 I CA -0.832 60.352 61.300 -0.194 0.000 1.197 281 I CB 0.691 38.622 38.000 -0.114 0.000 1.358 281 I HN 0.250 nan 8.210 nan 0.000 0.467 282 L N 7.977 129.064 121.223 -0.227 0.000 2.343 282 L HA 0.651 4.991 4.340 0.000 0.000 0.275 282 L C -0.191 176.591 176.870 -0.147 0.000 1.056 282 L CA -0.061 54.666 54.840 -0.188 0.000 0.804 282 L CB 1.634 43.542 42.059 -0.251 0.000 1.203 282 L HN 0.709 nan 8.230 nan 0.000 0.440 283 T N -1.401 113.124 114.554 -0.048 0.000 2.754 283 T HA 0.442 4.792 4.350 0.000 0.000 0.296 283 T C -0.563 174.223 174.700 0.142 0.000 1.205 283 T CA -0.706 61.378 62.100 -0.026 0.000 1.009 283 T CB 1.534 70.373 68.868 -0.049 0.000 1.368 283 T HN 0.551 nan 8.240 nan 0.000 0.509 284 T N -0.067 114.532 114.554 0.075 0.000 2.771 284 T HA 0.654 5.004 4.350 0.000 0.000 0.291 284 T C 1.394 176.061 174.700 -0.055 0.000 0.954 284 T CA -0.361 61.730 62.100 -0.015 0.000 1.045 284 T CB 1.281 70.140 68.868 -0.015 0.000 0.917 284 T HN 0.934 nan 8.240 nan 0.000 0.484 285 A N 3.336 126.074 122.820 -0.136 0.000 1.855 285 A HA 0.093 4.413 4.320 0.000 0.000 0.213 285 A C 1.232 178.789 177.584 -0.045 0.000 1.195 285 A CA 0.516 52.520 52.037 -0.057 0.000 0.610 285 A CB -0.178 18.800 19.000 -0.037 0.000 0.837 285 A HN 0.879 nan 8.150 nan 0.000 0.444 286 K N -0.920 119.447 120.400 -0.056 0.000 3.029 286 K HA 0.488 4.808 4.320 0.000 0.000 0.169 286 K C 0.357 176.939 176.600 -0.030 0.000 1.090 286 K CA -0.197 56.081 56.287 -0.015 0.000 0.883 286 K CB 0.027 32.543 32.500 0.027 0.000 1.080 286 K HN 0.812 nan 8.250 nan 0.000 0.613 287 G N 1.502 110.260 108.800 -0.070 0.000 2.909 287 G HA2 -0.274 3.686 3.960 0.000 0.000 0.385 287 G HA3 -0.274 3.686 3.960 0.000 0.000 0.385 287 G C -0.367 174.441 174.900 -0.153 0.000 1.436 287 G CA 0.107 45.150 45.100 -0.095 0.000 0.949 287 G HN 0.385 nan 8.290 nan 0.000 0.556 288 L N -1.978 119.123 121.223 -0.203 0.000 2.563 288 L HA 0.890 5.230 4.340 0.000 0.000 0.255 288 L C 0.585 177.352 176.870 -0.172 0.000 1.444 288 L CA 0.059 54.714 54.840 -0.308 0.000 1.526 288 L CB 1.451 43.120 42.059 -0.651 0.000 1.929 288 L HN 0.697 nan 8.230 nan 0.000 0.563 289 D N -1.372 118.854 120.400 -0.291 0.000 3.244 289 D HA 0.194 4.834 4.640 0.000 0.000 0.292 289 D C -1.085 175.327 176.300 0.187 0.000 1.652 289 D CA -0.135 53.921 54.000 0.093 0.000 0.803 289 D CB 0.263 41.282 40.800 0.366 0.000 1.390 289 D HN 0.335 nan 8.370 nan 0.000 0.528 290 F N -1.910 118.043 119.950 0.005 0.000 2.817 290 F HA 0.677 5.204 4.527 0.000 0.000 0.317 290 F C 0.170 175.984 175.800 0.022 0.000 1.168 290 F CA -1.008 57.003 58.000 0.019 0.000 0.911 290 F CB 0.844 39.863 39.000 0.032 0.000 1.337 290 F HN -0.283 nan 8.300 nan 0.000 0.464 291 E N 0.113 120.553 120.200 0.401 0.000 2.630 291 E HA 0.397 4.747 4.350 0.000 0.000 0.218 291 E C 0.917 177.622 176.600 0.175 0.000 0.977 291 E CA 0.114 56.645 56.400 0.218 0.000 1.038 291 E CB 0.618 30.401 29.700 0.138 0.000 1.051 291 E HN 0.645 nan 8.360 nan 0.000 0.487 292 L N -0.091 121.243 121.223 0.185 0.000 2.286 292 L HA 0.297 4.637 4.340 0.000 0.000 0.203 292 L C 0.488 177.193 176.870 -0.274 0.000 1.068 292 L CA 0.489 55.176 54.840 -0.255 0.000 0.811 292 L CB 0.345 41.983 42.059 -0.701 0.000 0.989 292 L HN -0.082 nan 8.230 nan 0.000 0.467 293 R N -0.567 119.909 120.500 -0.039 0.000 2.668 293 R HA 0.281 4.621 4.340 0.000 0.000 0.272 293 R C -0.300 176.275 176.300 0.459 0.000 1.019 293 R CA -0.432 55.762 56.100 0.156 0.000 0.894 293 R CB 2.257 32.525 30.300 -0.053 0.000 1.228 293 R HN -0.180 nan 8.270 nan 0.000 0.460 294 K N 0.359 120.853 120.400 0.157 0.000 2.436 294 K HA 0.198 4.518 4.320 0.000 0.000 0.198 294 K C -0.132 176.514 176.600 0.076 0.000 1.174 294 K CA 0.416 56.785 56.287 0.137 0.000 0.951 294 K CB 0.970 33.519 32.500 0.081 0.000 1.040 294 K HN 0.422 nan 8.250 nan 0.000 0.536 295 Q N 0.123 119.872 119.800 -0.085 0.000 2.245 295 Q HA 0.268 4.608 4.340 0.000 0.000 0.256 295 Q C -1.549 174.181 176.000 -0.449 0.000 0.942 295 Q CA -0.624 55.097 55.803 -0.135 0.000 0.896 295 Q CB 1.643 30.324 28.738 -0.095 0.000 1.272 295 Q HN 0.118 nan 8.270 nan 0.000 0.442 296 Y N 0.480 120.809 120.300 0.048 0.000 2.317 296 Y HA 0.258 4.808 4.550 0.000 0.000 0.329 296 Y C -0.826 175.064 175.900 -0.018 0.000 1.101 296 Y CA -0.652 57.468 58.100 0.032 0.000 1.228 296 Y CB 1.554 40.026 38.460 0.020 0.000 1.123 296 Y HN 0.288 nan 8.280 nan 0.000 0.457 297 V N 6.443 126.412 119.914 0.091 0.000 2.313 297 V HA 0.523 4.643 4.120 0.000 0.000 0.278 297 V C -0.404 175.715 176.094 0.041 0.000 1.017 297 V CA -0.481 61.843 62.300 0.040 0.000 0.823 297 V CB 0.635 32.467 31.823 0.015 0.000 1.010 297 V HN 0.567 nan 8.190 nan 0.000 0.443 298 L N 3.213 124.435 121.223 -0.002 0.000 2.350 298 L HA 0.813 5.153 4.340 0.000 0.000 0.260 298 L C -0.909 175.926 176.870 -0.057 0.000 1.015 298 L CA -0.942 53.885 54.840 -0.022 0.000 0.821 298 L CB 2.332 44.353 42.059 -0.063 0.000 1.370 298 L HN 0.371 nan 8.230 nan 0.000 0.416 299 Q N 1.406 121.181 119.800 -0.042 0.000 2.375 299 Q HA 0.710 5.050 4.340 0.000 0.000 0.271 299 Q C -1.625 174.356 176.000 -0.031 0.000 1.074 299 Q CA -0.705 55.065 55.803 -0.055 0.000 0.808 299 Q CB 3.312 32.032 28.738 -0.031 0.000 1.327 299 Q HN 0.484 nan 8.270 nan 0.000 0.441 300 I N 1.422 121.968 120.570 -0.041 0.000 2.466 300 I HA 0.276 4.446 4.170 0.000 0.000 0.289 300 I C 0.012 176.244 176.117 0.192 0.000 1.026 300 I CA -0.289 61.054 61.300 0.071 0.000 1.078 300 I CB 2.074 40.117 38.000 0.071 0.000 1.249 300 I HN 0.611 nan 8.210 nan 0.000 0.429 301 T N 3.028 117.716 114.554 0.223 0.000 2.934 301 T HA 0.779 5.129 4.350 0.000 0.000 0.283 301 T C -0.449 174.409 174.700 0.263 0.000 1.005 301 T CA -0.829 61.424 62.100 0.255 0.000 1.041 301 T CB 1.942 70.898 68.868 0.145 0.000 1.042 301 T HN 0.397 nan 8.240 nan 0.000 0.505 302 V N 1.537 121.548 119.914 0.162 0.000 2.588 302 V HA 0.600 4.720 4.120 0.000 0.000 0.304 302 V C -0.937 175.078 176.094 -0.132 0.000 1.042 302 V CA -0.569 61.619 62.300 -0.187 0.000 0.877 302 V CB 1.548 33.106 31.823 -0.441 0.000 0.996 302 V HN 1.116 nan 8.190 nan 0.000 0.425 303 E N 4.407 124.499 120.200 -0.180 0.000 2.447 303 E HA 0.531 4.881 4.350 0.000 0.000 0.251 303 E C -0.998 175.522 176.600 -0.133 0.000 0.910 303 E CA -1.063 55.311 56.400 -0.044 0.000 0.841 303 E CB 1.859 31.518 29.700 -0.069 0.000 1.403 303 E HN 0.762 nan 8.360 nan 0.000 0.400 304 N N -1.203 117.429 118.700 -0.114 0.000 2.525 304 N HA 0.375 5.115 4.740 0.000 0.000 0.288 304 N C 0.299 175.711 175.510 -0.164 0.000 1.242 304 N CA -0.216 52.762 53.050 -0.121 0.000 0.905 304 N CB 1.445 39.904 38.487 -0.046 0.000 1.258 304 N HN 0.480 nan 8.380 nan 0.000 0.551 305 A N 0.232 122.983 122.820 -0.114 0.000 1.897 305 A HA -0.091 4.229 4.320 0.000 0.000 0.215 305 A C 0.506 178.014 177.584 -0.126 0.000 1.181 305 A CA 1.197 53.175 52.037 -0.099 0.000 0.620 305 A CB -0.519 18.450 19.000 -0.050 0.000 0.821 305 A HN 0.808 nan 8.150 nan 0.000 0.443 306 E N 0.611 120.734 120.200 -0.128 0.000 2.231 306 E HA 0.499 4.849 4.350 0.000 0.000 0.277 306 E C -2.747 173.690 176.600 -0.273 0.000 0.999 306 E CA -2.379 53.936 56.400 -0.142 0.000 0.827 306 E CB 0.484 30.141 29.700 -0.072 0.000 1.101 306 E HN 0.071 nan 8.360 nan 0.000 0.393 307 P HA -0.061 nan 4.420 nan 0.000 0.272 307 P C -1.053 176.011 177.300 -0.394 0.000 1.243 307 P CA 0.147 63.000 63.100 -0.412 0.000 0.803 307 P CB 0.234 31.820 31.700 -0.191 0.000 0.974 308 F N -1.352 118.595 119.950 -0.005 0.000 2.422 308 F HA 0.233 4.760 4.527 0.000 0.000 0.333 308 F C 1.371 177.173 175.800 0.003 0.000 1.095 308 F CA -0.313 57.687 58.000 -0.001 0.000 1.038 308 F CB 0.363 39.361 39.000 -0.004 0.000 1.156 308 F HN 0.100 nan 8.300 nan 0.000 0.483 309 S N 0.556 116.390 115.700 0.224 0.000 2.786 309 S HA 0.339 4.809 4.470 0.000 0.000 0.223 309 S C 0.025 174.688 174.600 0.105 0.000 0.956 309 S CA -0.073 58.202 58.200 0.124 0.000 0.961 309 S CB -0.481 62.778 63.200 0.098 0.000 0.784 309 S HN 0.393 nan 8.310 nan 0.000 0.519 310 V N 0.835 120.827 119.914 0.131 0.000 3.155 310 V HA 0.243 4.363 4.120 0.000 0.000 0.272 310 V C -2.881 173.244 176.094 0.052 0.000 1.639 310 V CA -1.889 60.450 62.300 0.066 0.000 1.006 310 V CB 2.109 33.948 31.823 0.026 0.000 1.244 310 V HN -0.031 nan 8.190 nan 0.000 0.458 311 P HA 0.573 nan 4.420 nan 0.000 0.271 311 P C -1.146 176.109 177.300 -0.074 0.000 1.216 311 P CA 0.162 63.266 63.100 0.006 0.000 0.776 311 P CB 0.482 32.187 31.700 0.008 0.000 0.881 312 L N 3.144 124.281 121.223 -0.143 0.000 2.491 312 L HA 0.562 4.902 4.340 0.000 0.000 0.254 312 L C -2.282 174.477 176.870 -0.185 0.000 1.048 312 L CA -1.842 52.855 54.840 -0.239 0.000 0.855 312 L CB 2.309 44.055 42.059 -0.522 0.000 1.466 312 L HN 0.302 nan 8.230 nan 0.000 0.409 313 P HA 0.253 nan 4.420 nan 0.000 0.293 313 P C -1.097 176.154 177.300 -0.083 0.000 1.300 313 P CA -0.332 62.716 63.100 -0.086 0.000 0.792 313 P CB 1.120 32.787 31.700 -0.055 0.000 0.925 314 T N 1.674 116.216 114.554 -0.021 0.000 2.779 314 T HA 0.212 4.562 4.350 0.000 0.000 0.296 314 T C 0.358 175.100 174.700 0.070 0.000 0.938 314 T CA 0.220 62.340 62.100 0.033 0.000 1.119 314 T CB 0.153 69.065 68.868 0.074 0.000 0.891 314 T HN 0.263 nan 8.240 nan 0.000 0.526 315 S N 2.789 118.559 115.700 0.117 0.000 2.530 315 S HA 0.462 4.932 4.470 0.000 0.000 0.322 315 S C 0.406 175.249 174.600 0.404 0.000 1.085 315 S CA -0.858 57.466 58.200 0.206 0.000 1.096 315 S CB 0.738 64.058 63.200 0.201 0.000 0.988 315 S HN 0.778 nan 8.310 nan 0.000 0.466 316 T N 2.533 117.204 114.554 0.195 0.000 2.882 316 T HA 0.670 5.020 4.350 0.000 0.000 0.287 316 T C -0.016 174.477 174.700 -0.345 0.000 1.014 316 T CA -0.770 61.346 62.100 0.026 0.000 1.049 316 T CB 1.148 70.014 68.868 -0.003 0.000 1.001 316 T HN 0.627 nan 8.240 nan 0.000 0.525 317 A N 1.719 124.189 122.820 -0.583 0.000 2.343 317 A HA 0.640 4.960 4.320 0.000 0.000 0.308 317 A C 0.121 177.523 177.584 -0.304 0.000 1.092 317 A CA -0.926 50.685 52.037 -0.709 0.000 0.751 317 A CB 0.760 19.001 19.000 -1.265 0.000 1.203 317 A HN 0.774 nan 8.150 nan 0.000 0.452 318 T N 1.334 115.782 114.554 -0.177 0.000 2.744 318 T HA 0.567 4.917 4.350 0.000 0.000 0.291 318 T C -0.287 174.378 174.700 -0.059 0.000 0.957 318 T CA -0.464 61.579 62.100 -0.096 0.000 1.002 318 T CB 1.110 69.942 68.868 -0.059 0.000 0.919 318 T HN 0.456 nan 8.240 nan 0.000 0.468 319 V N 2.838 122.711 119.914 -0.070 0.000 2.789 319 V HA 0.538 4.658 4.120 0.000 0.000 0.311 319 V C -0.043 176.031 176.094 -0.034 0.000 1.073 319 V CA -0.753 61.517 62.300 -0.050 0.000 0.921 319 V CB 2.587 34.335 31.823 -0.125 0.000 1.009 319 V HN 0.995 nan 8.190 nan 0.000 0.426 320 T N 3.945 118.499 114.554 -0.000 0.000 2.770 320 T HA 0.640 4.990 4.350 0.000 0.000 0.283 320 T C -0.495 174.227 174.700 0.037 0.000 0.988 320 T CA -0.271 61.844 62.100 0.025 0.000 0.957 320 T CB 1.319 70.203 68.868 0.028 0.000 0.930 320 T HN 0.393 nan 8.240 nan 0.000 0.443 321 V N 3.212 123.178 119.914 0.086 0.000 2.715 321 V HA 0.703 4.823 4.120 0.000 0.000 0.310 321 V C 0.120 176.313 176.094 0.165 0.000 1.054 321 V CA -0.811 61.553 62.300 0.107 0.000 0.928 321 V CB 2.172 34.046 31.823 0.085 0.000 1.007 321 V HN 0.895 nan 8.190 nan 0.000 0.437 322 T N 2.398 117.023 114.554 0.117 0.000 2.879 322 T HA 0.471 4.821 4.350 0.000 0.000 0.290 322 T C -0.571 174.174 174.700 0.075 0.000 0.993 322 T CA -0.398 61.765 62.100 0.104 0.000 0.975 322 T CB 1.656 70.562 68.868 0.064 0.000 0.981 322 T HN 0.400 nan 8.240 nan 0.000 0.439 323 V N 4.019 123.973 119.914 0.067 0.000 2.368 323 V HA 0.250 4.370 4.120 0.000 0.000 0.266 323 V C 0.691 176.769 176.094 -0.027 0.000 1.045 323 V CA -0.705 61.583 62.300 -0.020 0.000 0.899 323 V CB 0.377 32.125 31.823 -0.125 0.000 1.006 323 V HN 0.828 nan 8.190 nan 0.000 0.470 324 E N 2.688 122.865 120.200 -0.037 0.000 2.392 324 E HA 0.194 4.544 4.350 0.000 0.000 0.259 324 E C -0.669 175.899 176.600 -0.052 0.000 1.108 324 E CA -0.327 56.053 56.400 -0.034 0.000 0.916 324 E CB 0.738 30.415 29.700 -0.039 0.000 0.989 324 E HN 0.684 nan 8.360 nan 0.000 0.432 325 D N 0.778 121.157 120.400 -0.036 0.000 2.185 325 D HA 0.333 4.973 4.640 0.000 0.000 0.247 325 D C -1.675 174.600 176.300 -0.041 0.000 1.027 325 D CA -0.545 53.434 54.000 -0.034 0.000 0.861 325 D CB 1.646 42.439 40.800 -0.010 0.000 1.202 325 D HN 0.112 nan 8.370 nan 0.000 0.453 326 V N 3.644 123.531 119.914 -0.045 0.000 2.769 326 V HA 0.529 4.649 4.120 0.000 0.000 0.312 326 V C -1.180 174.896 176.094 -0.029 0.000 1.061 326 V CA -0.797 61.475 62.300 -0.046 0.000 0.931 326 V CB 1.981 33.767 31.823 -0.062 0.000 1.010 326 V HN 0.640 nan 8.190 nan 0.000 0.433 327 N N 3.945 122.629 118.700 -0.027 0.000 2.424 327 N HA 0.426 5.166 4.740 0.000 0.000 0.271 327 N C -0.631 174.868 175.510 -0.018 0.000 0.985 327 N CA -0.283 52.757 53.050 -0.017 0.000 0.921 327 N CB 1.713 40.188 38.487 -0.019 0.000 1.149 327 N HN 0.793 nan 8.380 nan 0.000 0.492 328 E N 0.891 121.088 120.200 -0.004 0.000 2.250 328 E HA 0.638 4.988 4.350 0.000 0.000 0.265 328 E C -0.157 176.443 176.600 0.000 0.000 1.033 328 E CA -0.871 55.528 56.400 -0.002 0.000 0.888 328 E CB 0.793 30.502 29.700 0.014 0.000 1.151 328 E HN 0.626 nan 8.360 nan 0.000 0.412 329 A N 2.013 124.830 122.820 -0.006 0.000 2.507 329 A HA 0.311 4.631 4.320 0.000 0.000 0.235 329 A C -2.132 175.465 177.584 0.022 0.000 1.070 329 A CA -0.726 51.298 52.037 -0.021 0.000 0.768 329 A CB -0.503 18.475 19.000 -0.036 0.000 1.011 329 A HN 0.361 nan 8.150 nan 0.000 0.502 330 P HA 0.661 nan 4.420 nan 0.000 0.284 330 P C -0.902 176.362 177.300 -0.060 0.000 1.292 330 P CA -0.268 62.762 63.100 -0.117 0.000 0.800 330 P CB 0.496 32.060 31.700 -0.226 0.000 1.188 331 F N -2.927 116.923 119.950 -0.166 0.000 2.615 331 F HA 0.602 5.129 4.527 0.000 0.000 0.312 331 F C -1.078 174.656 175.800 -0.110 0.000 1.119 331 F CA -1.452 56.419 58.000 -0.216 0.000 0.979 331 F CB 0.261 39.201 39.000 -0.099 0.000 1.266 331 F HN 0.002 nan 8.300 nan 0.000 0.444 332 F N 1.566 121.624 119.950 0.179 0.000 2.490 332 F HA 0.389 4.916 4.527 0.000 0.000 0.336 332 F C 1.536 177.482 175.800 0.244 0.000 1.178 332 F CA -0.556 57.527 58.000 0.138 0.000 1.301 332 F CB 0.145 39.229 39.000 0.139 0.000 1.175 332 F HN 0.491 nan 8.300 nan 0.000 0.593 333 V N -0.732 119.409 119.914 0.380 0.000 2.251 333 V HA -0.034 4.086 4.120 0.000 0.000 0.230 333 V C -1.321 174.954 176.094 0.301 0.000 1.032 333 V CA 0.460 62.975 62.300 0.358 0.000 0.997 333 V CB -2.178 29.782 31.823 0.228 0.000 0.643 333 V HN 0.596 nan 8.190 nan 0.000 0.462 334 P HA 0.558 nan 4.420 nan 0.000 0.323 334 P C -1.058 176.343 177.300 0.168 0.000 1.309 334 P CA -0.125 63.069 63.100 0.156 0.000 0.739 334 P CB 0.308 32.068 31.700 0.100 0.000 1.454 335 A N -0.174 122.711 122.820 0.109 0.000 2.702 335 A HA 0.491 4.811 4.320 0.000 0.000 0.305 335 A C -0.800 176.814 177.584 0.049 0.000 1.213 335 A CA -0.571 51.519 52.037 0.089 0.000 0.745 335 A CB 0.005 19.055 19.000 0.084 0.000 1.161 335 A HN 0.211 nan 8.150 nan 0.000 0.445 336 V N 1.337 121.267 119.914 0.027 0.000 2.439 336 V HA 0.305 4.425 4.120 0.000 0.000 0.271 336 V C 0.937 177.041 176.094 0.016 0.000 1.040 336 V CA 0.000 62.310 62.300 0.016 0.000 1.002 336 V CB 0.958 32.779 31.823 -0.003 0.000 1.000 336 V HN 0.731 nan 8.190 nan 0.000 0.477 337 S N 4.548 120.265 115.700 0.028 0.000 3.158 337 S HA 0.384 4.854 4.470 0.000 0.000 0.215 337 S C 0.822 175.450 174.600 0.047 0.000 1.359 337 S CA -0.494 57.729 58.200 0.038 0.000 0.974 337 S CB -0.178 63.044 63.200 0.037 0.000 1.336 337 S HN 0.838 nan 8.310 nan 0.000 0.488 338 R N 1.933 122.461 120.500 0.046 0.000 2.009 338 R HA 0.261 4.601 4.340 0.000 0.000 0.206 338 R C 0.030 176.361 176.300 0.051 0.000 1.356 338 R CA 0.650 56.774 56.100 0.041 0.000 1.088 338 R CB -0.147 30.167 30.300 0.022 0.000 0.959 338 R HN 0.477 nan 8.270 nan 0.000 0.469 339 V N 2.529 122.475 119.914 0.055 0.000 2.341 339 V HA 0.166 4.286 4.120 0.000 0.000 0.248 339 V C -1.208 174.929 176.094 0.072 0.000 1.107 339 V CA -0.375 61.956 62.300 0.052 0.000 1.069 339 V CB 0.316 32.164 31.823 0.042 0.000 1.177 339 V HN 0.174 nan 8.190 nan 0.000 0.492 340 D N 3.704 124.127 120.400 0.038 0.000 2.416 340 D HA 0.305 4.945 4.640 0.000 0.000 0.240 340 D C -0.151 176.117 176.300 -0.053 0.000 1.250 340 D CA 0.514 54.493 54.000 -0.034 0.000 0.967 340 D CB 1.284 41.988 40.800 -0.160 0.000 1.059 340 D HN 0.500 nan 8.370 nan 0.000 0.512 341 V N 1.809 121.718 119.914 -0.008 0.000 2.628 341 V HA 0.536 4.656 4.120 0.000 0.000 0.306 341 V C 0.039 176.116 176.094 -0.027 0.000 1.045 341 V CA -0.680 61.609 62.300 -0.019 0.000 0.905 341 V CB 2.016 33.838 31.823 -0.002 0.000 0.997 341 V HN 0.523 nan 8.190 nan 0.000 0.436 342 S N 3.346 119.019 115.700 -0.045 0.000 2.632 342 S HA 0.291 4.761 4.470 0.000 0.000 0.267 342 S C 0.950 175.510 174.600 -0.068 0.000 1.276 342 S CA 0.386 58.556 58.200 -0.050 0.000 0.998 342 S CB 1.199 64.368 63.200 -0.051 0.000 0.953 342 S HN 0.935 nan 8.310 nan 0.000 0.547 343 E N 0.207 120.363 120.200 -0.073 0.000 2.204 343 E HA -0.218 4.132 4.350 0.000 0.000 0.195 343 E C 0.922 177.452 176.600 -0.117 0.000 0.990 343 E CA 1.270 57.603 56.400 -0.111 0.000 0.821 343 E CB -0.225 29.421 29.700 -0.090 0.000 0.750 343 E HN 0.871 nan 8.360 nan 0.000 0.477 344 D N -0.080 120.269 120.400 -0.085 0.000 2.371 344 D HA -0.029 4.611 4.640 0.000 0.000 0.234 344 D C 0.300 176.552 176.300 -0.080 0.000 1.049 344 D CA -0.022 53.932 54.000 -0.077 0.000 0.907 344 D CB -0.050 40.716 40.800 -0.057 0.000 0.891 344 D HN 0.120 nan 8.370 nan 0.000 0.531 345 L N 1.240 122.408 121.223 -0.093 0.000 2.525 345 L HA 0.012 4.352 4.340 0.000 0.000 0.278 345 L C 0.223 177.042 176.870 -0.085 0.000 1.218 345 L CA -0.214 54.576 54.840 -0.084 0.000 0.878 345 L CB 0.486 42.493 42.059 -0.086 0.000 1.127 345 L HN 0.163 nan 8.230 nan 0.000 0.492 346 S N 4.559 120.221 115.700 -0.063 0.000 2.430 346 S HA 0.132 4.602 4.470 0.000 0.000 0.282 346 S C 0.296 174.865 174.600 -0.052 0.000 1.186 346 S CA -0.781 57.386 58.200 -0.055 0.000 1.060 346 S CB 0.456 63.631 63.200 -0.041 0.000 0.966 346 S HN 0.635 nan 8.310 nan 0.000 0.501 347 R N 2.877 123.343 120.500 -0.057 0.000 3.501 347 R HA 0.178 4.518 4.340 0.000 0.000 0.332 347 R C 0.929 177.212 176.300 -0.029 0.000 0.776 347 R CA 1.113 57.185 56.100 -0.046 0.000 1.007 347 R CB -1.332 28.942 30.300 -0.043 0.000 0.929 347 R HN 1.182 nan 8.270 nan 0.000 0.372 348 G N 2.845 111.630 108.800 -0.025 0.000 2.441 348 G HA2 -0.118 3.842 3.960 0.000 0.000 0.139 348 G HA3 -0.118 3.842 3.960 0.000 0.000 0.139 348 G C -0.925 173.962 174.900 -0.021 0.000 1.067 348 G CA -0.705 44.385 45.100 -0.018 0.000 0.766 348 G HN 0.511 nan 8.290 nan 0.000 0.484 349 E N 0.365 120.551 120.200 -0.023 0.000 2.293 349 E HA 0.310 4.660 4.350 0.000 0.000 0.270 349 E C 0.065 176.652 176.600 -0.022 0.000 0.879 349 E CA -0.839 55.546 56.400 -0.024 0.000 0.756 349 E CB 1.487 31.169 29.700 -0.030 0.000 1.208 349 E HN 0.344 nan 8.360 nan 0.000 0.428 350 K N 2.899 123.285 120.400 -0.023 0.000 2.430 350 K HA 0.064 4.384 4.320 0.000 0.000 0.280 350 K C 0.843 177.431 176.600 -0.020 0.000 1.063 350 K CA 0.399 56.672 56.287 -0.024 0.000 1.071 350 K CB 0.512 32.996 32.500 -0.025 0.000 0.899 350 K HN 0.409 nan 8.250 nan 0.000 0.473 351 I N 2.977 123.537 120.570 -0.017 0.000 3.098 351 I HA 0.043 4.213 4.170 0.000 0.000 0.241 351 I C 0.839 176.949 176.117 -0.013 0.000 1.081 351 I CA 0.273 61.568 61.300 -0.008 0.000 1.487 351 I CB 0.365 38.370 38.000 0.009 0.000 1.366 351 I HN 0.509 nan 8.210 nan 0.000 0.463 352 I N -0.347 120.209 120.570 -0.023 0.000 2.493 352 I HA 0.345 4.515 4.170 0.000 0.000 0.279 352 I C -0.638 175.444 176.117 -0.058 0.000 1.045 352 I CA -0.674 60.605 61.300 -0.035 0.000 1.106 352 I CB 1.431 39.409 38.000 -0.036 0.000 1.216 352 I HN -0.051 nan 8.210 nan 0.000 0.459 353 S N 7.293 122.960 115.700 -0.054 0.000 2.405 353 S HA 0.610 5.080 4.470 0.000 0.000 0.291 353 S C -0.131 174.425 174.600 -0.074 0.000 1.137 353 S CA -0.720 57.437 58.200 -0.072 0.000 1.061 353 S CB 0.412 63.580 63.200 -0.053 0.000 1.001 353 S HN 0.574 nan 8.310 nan 0.000 0.507 354 L N 1.344 122.500 121.223 -0.112 0.000 2.286 354 L HA 0.987 5.327 4.340 0.000 0.000 0.265 354 L C -0.316 176.501 176.870 -0.089 0.000 1.012 354 L CA -1.400 53.388 54.840 -0.087 0.000 0.818 354 L CB 0.545 42.541 42.059 -0.105 0.000 1.337 354 L HN 0.472 nan 8.230 nan 0.000 0.438 355 V N -3.116 116.809 119.914 0.018 0.000 3.049 355 V HA 1.061 5.181 4.120 0.000 0.000 0.309 355 V C -0.406 175.816 176.094 0.212 0.000 1.148 355 V CA -0.366 61.994 62.300 0.100 0.000 0.990 355 V CB 1.020 32.881 31.823 0.063 0.000 1.039 355 V HN 1.418 nan 8.190 nan 0.000 0.430 356 A N 1.982 124.960 122.820 0.263 0.000 2.423 356 A HA 0.924 5.244 4.320 0.000 0.000 0.304 356 A C -0.879 176.607 177.584 -0.163 0.000 1.104 356 A CA -0.798 51.308 52.037 0.115 0.000 0.757 356 A CB 2.176 21.298 19.000 0.204 0.000 1.313 356 A HN 0.866 nan 8.150 nan 0.000 0.423 357 Q N 0.578 120.016 119.800 -0.603 0.000 2.387 357 Q HA 0.399 4.739 4.340 0.000 0.000 0.273 357 Q C -1.743 173.709 176.000 -0.914 0.000 1.089 357 Q CA -0.566 54.806 55.803 -0.718 0.000 0.824 357 Q CB 2.773 31.093 28.738 -0.696 0.000 1.367 357 Q HN 0.834 nan 8.270 nan 0.000 0.443 358 D N 1.985 122.143 120.400 -0.403 0.000 2.649 358 D HA 0.247 4.887 4.640 0.000 0.000 0.249 358 D C -1.700 174.590 176.300 -0.017 0.000 1.112 358 D CA -1.769 52.122 54.000 -0.182 0.000 0.850 358 D CB 2.231 42.955 40.800 -0.126 0.000 1.399 358 D HN 0.193 nan 8.370 nan 0.000 0.503 359 P HA -0.170 nan 4.420 nan 0.000 0.205 359 P C -0.501 176.842 177.300 0.071 0.000 1.164 359 P CA 0.936 64.116 63.100 0.133 0.000 0.938 359 P CB -0.364 31.421 31.700 0.143 0.000 0.777 360 D N 1.583 122.013 120.400 0.049 0.000 2.899 360 D HA -0.057 4.583 4.640 0.000 0.000 0.254 360 D C 0.669 176.985 176.300 0.027 0.000 1.320 360 D CA 0.543 54.564 54.000 0.035 0.000 0.929 360 D CB -0.494 40.317 40.800 0.018 0.000 1.148 360 D HN 0.180 nan 8.370 nan 0.000 0.571 361 K N 3.024 123.444 120.400 0.034 0.000 2.110 361 K HA -0.032 4.288 4.320 0.000 0.000 0.260 361 K C 0.152 176.764 176.600 0.021 0.000 1.126 361 K CA 0.124 56.426 56.287 0.026 0.000 1.005 361 K CB 0.234 32.752 32.500 0.030 0.000 1.336 361 K HN 0.605 nan 8.250 nan 0.000 0.369 362 Q N 2.680 122.488 119.800 0.014 0.000 1.752 362 Q HA -0.033 4.307 4.340 0.000 0.000 0.169 362 Q C -0.568 175.435 176.000 0.004 0.000 0.747 362 Q CA -0.180 55.629 55.803 0.009 0.000 0.814 362 Q CB 0.471 29.214 28.738 0.008 0.000 1.218 362 Q HN 0.569 nan 8.270 nan 0.000 0.384 363 Q N 1.730 121.532 119.800 0.004 0.000 2.851 363 Q HA -0.066 4.274 4.340 0.000 0.000 0.319 363 Q C -0.297 175.701 176.000 -0.002 0.000 1.225 363 Q CA 1.047 56.848 55.803 -0.003 0.000 1.110 363 Q CB -0.565 28.172 28.738 -0.002 0.000 1.128 363 Q HN 0.466 nan 8.270 nan 0.000 0.440 364 I N 0.871 121.438 120.570 -0.005 0.000 2.816 364 I HA 0.184 4.354 4.170 0.000 0.000 0.279 364 I C -1.646 174.466 176.117 -0.008 0.000 1.662 364 I CA -0.336 60.962 61.300 -0.004 0.000 0.785 364 I CB 0.726 38.725 38.000 -0.001 0.000 1.738 364 I HN 0.329 nan 8.210 nan 0.000 0.561 365 Q N 2.063 121.855 119.800 -0.013 0.000 2.418 365 Q HA 0.546 4.886 4.340 0.000 0.000 0.240 365 Q C -1.425 174.558 176.000 -0.029 0.000 0.859 365 Q CA -0.886 54.905 55.803 -0.021 0.000 0.916 365 Q CB 1.436 30.158 28.738 -0.026 0.000 1.448 365 Q HN 0.469 nan 8.270 nan 0.000 0.439 366 K N 2.083 122.468 120.400 -0.025 0.000 2.288 366 K HA 0.786 5.106 4.320 0.000 0.000 0.234 366 K C -0.878 175.687 176.600 -0.058 0.000 1.037 366 K CA -0.799 55.466 56.287 -0.036 0.000 0.914 366 K CB 1.036 33.530 32.500 -0.010 0.000 1.197 366 K HN 0.644 nan 8.250 nan 0.000 0.471 367 L N -1.891 119.272 121.223 -0.101 0.000 2.230 367 L HA 0.708 5.048 4.340 0.000 0.000 0.255 367 L C -1.013 175.770 176.870 -0.146 0.000 1.039 367 L CA -0.769 53.983 54.840 -0.148 0.000 0.846 367 L CB 1.803 43.708 42.059 -0.258 0.000 1.419 367 L HN 0.577 nan 8.230 nan 0.000 0.435 368 S N -1.524 114.130 115.700 -0.077 0.000 2.532 368 S HA 0.693 5.163 4.470 0.000 0.000 0.299 368 S C -1.291 173.424 174.600 0.192 0.000 1.105 368 S CA -0.546 57.717 58.200 0.106 0.000 1.018 368 S CB 0.615 64.052 63.200 0.395 0.000 1.021 368 S HN 0.455 nan 8.310 nan 0.000 0.483 369 Y N 2.045 122.492 120.300 0.244 0.000 2.365 369 Y HA 0.582 5.132 4.550 0.000 0.000 0.340 369 Y C -0.427 175.599 175.900 0.211 0.000 1.016 369 Y CA -0.739 57.529 58.100 0.279 0.000 1.196 369 Y CB 0.281 38.835 38.460 0.156 0.000 1.167 369 Y HN 0.586 nan 8.280 nan 0.000 0.509 370 F N 2.889 122.969 119.950 0.216 0.000 2.546 370 F HA 0.527 5.053 4.527 0.000 0.000 0.320 370 F C -0.215 175.671 175.800 0.144 0.000 1.076 370 F CA -1.307 56.776 58.000 0.140 0.000 0.928 370 F CB 0.985 40.038 39.000 0.089 0.000 1.189 370 F HN 0.218 nan 8.300 nan 0.000 0.465 371 I N 0.350 121.069 120.570 0.250 0.000 3.514 371 I HA 0.704 4.874 4.170 0.000 0.000 0.300 371 I C 1.076 177.286 176.117 0.156 0.000 1.194 371 I CA -0.307 61.090 61.300 0.160 0.000 0.968 371 I CB 1.243 39.289 38.000 0.077 0.000 1.418 371 I HN 0.691 nan 8.210 nan 0.000 0.614 372 G N 0.511 109.366 108.800 0.091 0.000 4.120 372 G HA2 0.014 3.974 3.960 0.000 0.000 0.195 372 G HA3 0.014 3.974 3.960 0.000 0.000 0.195 372 G C 0.415 175.327 174.900 0.019 0.000 1.420 372 G CA -0.201 44.940 45.100 0.069 0.000 0.981 372 G HN 0.530 nan 8.290 nan 0.000 0.496 373 N N 0.974 119.672 118.700 -0.003 0.000 2.229 373 N HA 0.233 4.973 4.740 0.000 0.000 0.242 373 N C -0.047 175.416 175.510 -0.079 0.000 1.327 373 N CA 1.021 54.044 53.050 -0.044 0.000 0.896 373 N CB 0.414 38.859 38.487 -0.069 0.000 1.129 373 N HN 0.402 nan 8.380 nan 0.000 0.490 374 D N -2.129 118.202 120.400 -0.115 0.000 2.738 374 D HA 0.147 4.787 4.640 0.000 0.000 0.345 374 D C -2.367 173.819 176.300 -0.189 0.000 1.465 374 D CA -0.377 53.541 54.000 -0.138 0.000 0.935 374 D CB -1.178 39.568 40.800 -0.089 0.000 1.543 374 D HN 0.287 nan 8.370 nan 0.000 0.399 375 P HA 0.171 nan 4.420 nan 0.000 0.271 375 P C 0.124 177.100 177.300 -0.541 0.000 1.212 375 P CA 0.323 63.206 63.100 -0.360 0.000 0.788 375 P CB 0.496 31.880 31.700 -0.527 0.000 0.865 376 A N 2.318 124.772 122.820 -0.610 0.000 2.587 376 A HA -0.070 4.250 4.320 0.000 0.000 0.235 376 A C 0.663 177.813 177.584 -0.723 0.000 1.044 376 A CA 0.020 51.759 52.037 -0.497 0.000 0.754 376 A CB -0.465 18.415 19.000 -0.199 0.000 0.968 376 A HN 0.627 nan 8.150 nan 0.000 0.509 377 R N 1.740 122.040 120.500 -0.334 0.000 4.237 377 R HA -0.168 4.172 4.340 0.000 0.000 0.171 377 R C -0.301 176.049 176.300 0.084 0.000 0.417 377 R CA 1.031 57.048 56.100 -0.137 0.000 0.895 377 R CB -0.221 30.071 30.300 -0.013 0.000 1.009 377 R HN 0.834 nan 8.270 nan 0.000 0.271 378 W N 4.067 125.343 121.300 -0.040 0.000 4.409 378 W HA 0.118 4.778 4.660 0.000 0.000 0.188 378 W C 0.507 177.008 176.519 -0.029 0.000 2.080 378 W CA -0.154 57.162 57.345 -0.049 0.000 2.369 378 W CB -1.219 28.192 29.460 -0.082 0.000 1.412 378 W HN 0.360 nan 8.180 nan 0.000 0.720 379 L N 1.897 123.306 121.223 0.309 0.000 2.516 379 L HA 0.469 4.809 4.340 0.000 0.000 0.288 379 L C -0.033 176.887 176.870 0.084 0.000 1.246 379 L CA 0.840 55.779 54.840 0.164 0.000 0.844 379 L CB -0.461 41.692 42.059 0.158 0.000 1.106 379 L HN -0.152 nan 8.230 nan 0.000 0.509 380 T N 0.610 115.193 114.554 0.049 0.000 3.012 380 T HA 0.506 4.856 4.350 0.000 0.000 0.330 380 T C -0.641 174.055 174.700 -0.006 0.000 1.321 380 T CA -0.647 61.464 62.100 0.019 0.000 1.067 380 T CB 1.909 70.785 68.868 0.014 0.000 1.235 380 T HN 0.716 nan 8.240 nan 0.000 0.479 381 V N 1.086 120.990 119.914 -0.017 0.000 2.547 381 V HA 0.723 4.843 4.120 0.000 0.000 0.299 381 V C 0.069 176.134 176.094 -0.050 0.000 1.040 381 V CA -0.936 61.342 62.300 -0.036 0.000 0.913 381 V CB 1.752 33.566 31.823 -0.016 0.000 0.992 381 V HN 0.874 nan 8.190 nan 0.000 0.449 382 N N 3.400 122.063 118.700 -0.062 0.000 2.414 382 N HA 0.276 5.016 4.740 0.000 0.000 0.256 382 N C 0.544 176.037 175.510 -0.028 0.000 1.029 382 N CA -0.370 52.648 53.050 -0.053 0.000 0.948 382 N CB 1.614 40.065 38.487 -0.060 0.000 1.102 382 N HN 0.818 nan 8.380 nan 0.000 0.496 383 K N 1.745 122.134 120.400 -0.018 0.000 2.217 383 K HA -0.019 4.301 4.320 0.000 0.000 0.202 383 K C -0.056 176.702 176.600 0.263 0.000 1.051 383 K CA 0.954 57.274 56.287 0.056 0.000 0.952 383 K CB 0.360 32.748 32.500 -0.187 0.000 0.736 383 K HN 0.588 nan 8.250 nan 0.000 0.453 384 D N -0.140 120.353 120.400 0.154 0.000 2.358 384 D HA 0.008 4.648 4.640 0.000 0.000 0.224 384 D C 0.230 176.642 176.300 0.187 0.000 1.123 384 D CA 0.327 54.438 54.000 0.186 0.000 0.833 384 D CB 0.182 41.032 40.800 0.085 0.000 0.946 384 D HN 0.261 nan 8.370 nan 0.000 0.505 385 N N -0.131 118.630 118.700 0.101 0.000 1.958 385 N HA 0.050 4.790 4.740 0.000 0.000 0.223 385 N C 0.286 175.546 175.510 -0.416 0.000 1.395 385 N CA 0.002 53.009 53.050 -0.071 0.000 0.737 385 N CB 0.817 39.275 38.487 -0.049 0.000 1.155 385 N HN 0.013 nan 8.380 nan 0.000 0.529 386 G N 2.459 110.742 108.800 -0.861 0.000 2.247 386 G HA2 -0.233 3.727 3.960 0.000 0.000 0.265 386 G HA3 -0.233 3.727 3.960 0.000 0.000 0.265 386 G C -0.434 174.187 174.900 -0.465 0.000 0.861 386 G CA 0.617 45.059 45.100 -1.096 0.000 1.289 386 G HN 0.383 nan 8.290 nan 0.000 0.403 387 I N 0.677 121.091 120.570 -0.261 0.000 2.439 387 I HA 0.297 4.467 4.170 0.000 0.000 0.285 387 I C 0.147 176.200 176.117 -0.107 0.000 1.021 387 I CA -1.157 60.049 61.300 -0.157 0.000 1.091 387 I CB 2.128 40.062 38.000 -0.111 0.000 1.242 387 I HN -0.031 nan 8.210 nan 0.000 0.439 388 V N 5.085 124.945 119.914 -0.090 0.000 2.348 388 V HA 0.336 4.456 4.120 0.000 0.000 0.270 388 V C 0.665 176.741 176.094 -0.029 0.000 1.037 388 V CA -0.339 61.929 62.300 -0.053 0.000 0.872 388 V CB 0.979 32.772 31.823 -0.051 0.000 1.002 388 V HN 0.889 nan 8.190 nan 0.000 0.464 389 T N 1.649 116.193 114.554 -0.016 0.000 2.937 389 T HA 0.758 5.108 4.350 0.000 0.000 0.283 389 T C 0.213 174.921 174.700 0.014 0.000 1.012 389 T CA -0.413 61.682 62.100 -0.008 0.000 0.997 389 T CB 2.004 70.864 68.868 -0.013 0.000 1.136 389 T HN 0.811 nan 8.240 nan 0.000 0.551 390 G N 0.869 109.674 108.800 0.008 0.000 2.744 390 G HA2 0.492 4.452 3.960 0.000 0.000 0.309 390 G HA3 0.492 4.452 3.960 0.000 0.000 0.309 390 G C -0.744 174.157 174.900 0.001 0.000 1.328 390 G CA -0.824 44.287 45.100 0.018 0.000 1.034 390 G HN 0.808 nan 8.290 nan 0.000 0.518 391 N N 0.764 119.483 118.700 0.032 0.000 2.482 391 N HA 0.717 5.457 4.740 0.000 0.000 0.279 391 N C 0.575 176.086 175.510 0.003 0.000 1.182 391 N CA 0.210 53.271 53.050 0.017 0.000 0.969 391 N CB 1.750 40.261 38.487 0.040 0.000 1.201 391 N HN 0.861 nan 8.380 nan 0.000 0.523 392 G N 0.539 109.322 108.800 -0.029 0.000 2.757 392 G HA2 -0.240 3.720 3.960 0.000 0.000 0.638 392 G HA3 -0.240 3.720 3.960 0.000 0.000 0.638 392 G C -1.027 173.749 174.900 -0.207 0.000 1.344 392 G CA -0.818 44.234 45.100 -0.080 0.000 0.855 392 G HN 0.738 nan 8.290 nan 0.000 0.537 393 N N -0.781 117.777 118.700 -0.237 0.000 2.421 393 N HA 0.688 5.428 4.740 0.000 0.000 0.285 393 N C 0.011 175.221 175.510 -0.500 0.000 1.027 393 N CA -0.728 52.161 53.050 -0.268 0.000 0.918 393 N CB 0.719 39.123 38.487 -0.138 0.000 1.152 393 N HN 0.584 nan 8.380 nan 0.000 0.485 394 L N 1.684 122.577 121.223 -0.550 0.000 2.260 394 L HA 0.644 4.984 4.340 0.000 0.000 0.265 394 L C -0.680 175.972 176.870 -0.365 0.000 1.015 394 L CA -0.583 53.799 54.840 -0.764 0.000 0.826 394 L CB 1.515 43.055 42.059 -0.865 0.000 1.373 394 L HN 0.550 nan 8.230 nan 0.000 0.450 395 D N -1.540 118.695 120.400 -0.275 0.000 2.266 395 D HA 0.184 4.824 4.640 0.000 0.000 0.218 395 D C 0.411 176.682 176.300 -0.048 0.000 1.311 395 D CA -0.320 53.611 54.000 -0.115 0.000 0.918 395 D CB 0.832 41.597 40.800 -0.057 0.000 1.530 395 D HN 0.453 nan 8.370 nan 0.000 0.514 396 R N 1.465 121.943 120.500 -0.037 0.000 2.133 396 R HA -0.214 4.126 4.340 0.000 0.000 0.247 396 R C 0.935 177.262 176.300 0.046 0.000 1.151 396 R CA 1.621 57.733 56.100 0.020 0.000 0.971 396 R CB 0.227 30.544 30.300 0.027 0.000 0.866 396 R HN 0.280 nan 8.270 nan 0.000 0.447 397 E N -0.679 119.538 120.200 0.029 0.000 2.333 397 E HA -0.132 4.218 4.350 0.000 0.000 0.200 397 E C 1.266 177.897 176.600 0.051 0.000 1.010 397 E CA 1.354 57.776 56.400 0.037 0.000 0.841 397 E CB 0.094 29.808 29.700 0.024 0.000 0.757 397 E HN 0.232 nan 8.360 nan 0.000 0.508 398 S N -2.500 113.243 115.700 0.073 0.000 2.597 398 S HA 0.087 4.557 4.470 0.000 0.000 0.275 398 S C 1.277 175.921 174.600 0.073 0.000 1.040 398 S CA 0.258 58.501 58.200 0.071 0.000 1.187 398 S CB 0.112 63.340 63.200 0.047 0.000 0.988 398 S HN 0.216 nan 8.310 nan 0.000 0.490 399 E N -0.825 119.445 120.200 0.118 0.000 2.357 399 E HA 0.212 4.562 4.350 0.000 0.000 0.202 399 E C 1.078 177.661 176.600 -0.028 0.000 0.855 399 E CA 0.122 56.522 56.400 -0.001 0.000 1.048 399 E CB -0.180 29.448 29.700 -0.121 0.000 1.037 399 E HN 0.489 nan 8.360 nan 0.000 0.499 400 Y N 1.069 121.439 120.300 0.116 0.000 2.231 400 Y HA 0.116 4.666 4.550 0.000 0.000 0.294 400 Y C 0.800 176.799 175.900 0.165 0.000 1.120 400 Y CA 0.389 58.575 58.100 0.144 0.000 1.141 400 Y CB 0.097 38.684 38.460 0.211 0.000 1.022 400 Y HN -0.163 nan 8.280 nan 0.000 0.523 401 V N 2.937 123.077 119.914 0.377 0.000 2.583 401 V HA -0.191 3.929 4.120 0.000 0.000 0.302 401 V C 0.566 176.761 176.094 0.169 0.000 1.033 401 V CA 0.548 63.013 62.300 0.275 0.000 1.194 401 V CB 0.076 32.031 31.823 0.219 0.000 0.879 401 V HN 0.369 nan 8.190 nan 0.000 0.482 402 K N 3.436 123.919 120.400 0.138 0.000 2.786 402 K HA 0.178 4.498 4.320 0.000 0.000 0.224 402 K C 0.881 177.516 176.600 0.059 0.000 1.089 402 K CA -0.385 55.951 56.287 0.082 0.000 1.162 402 K CB -0.032 32.508 32.500 0.067 0.000 1.585 402 K HN 0.597 nan 8.250 nan 0.000 0.466 403 N N 1.310 120.035 118.700 0.041 0.000 2.328 403 N HA -0.065 4.675 4.740 0.000 0.000 0.277 403 N C 0.321 175.845 175.510 0.023 0.000 1.286 403 N CA 0.281 53.344 53.050 0.021 0.000 0.949 403 N CB 0.138 38.626 38.487 0.001 0.000 1.136 403 N HN 0.130 nan 8.380 nan 0.000 0.550 404 N N -1.278 117.416 118.700 -0.009 0.000 2.760 404 N HA -0.120 4.620 4.740 0.000 0.000 0.200 404 N C 0.049 175.544 175.510 -0.024 0.000 1.306 404 N CA 0.412 53.449 53.050 -0.022 0.000 0.957 404 N CB -0.063 38.359 38.487 -0.110 0.000 1.041 404 N HN 0.531 nan 8.380 nan 0.000 0.448 405 T N -1.826 112.740 114.554 0.020 0.000 2.810 405 T HA 0.220 4.570 4.350 0.000 0.000 0.277 405 T C -0.971 173.867 174.700 0.230 0.000 0.973 405 T CA -0.322 61.821 62.100 0.071 0.000 0.949 405 T CB 0.815 69.700 68.868 0.028 0.000 1.075 405 T HN 0.141 nan 8.240 nan 0.000 0.537 406 Y N 0.712 121.047 120.300 0.057 0.000 2.237 406 Y HA 0.322 4.872 4.550 0.000 0.000 0.316 406 Y C -0.866 175.053 175.900 0.031 0.000 1.236 406 Y CA -0.749 57.394 58.100 0.071 0.000 1.257 406 Y CB 0.653 39.209 38.460 0.161 0.000 1.272 406 Y HN 1.009 nan 8.280 nan 0.000 0.394 407 T N 3.118 117.367 114.554 -0.508 0.000 2.823 407 T HA 0.881 5.231 4.350 0.000 0.000 0.279 407 T C -0.861 173.532 174.700 -0.511 0.000 0.998 407 T CA -0.846 61.042 62.100 -0.353 0.000 0.994 407 T CB 2.133 70.876 68.868 -0.208 0.000 0.960 407 T HN 0.343 nan 8.240 nan 0.000 0.448 408 V N 2.983 122.714 119.914 -0.305 0.000 2.888 408 V HA 0.560 4.680 4.120 0.000 0.000 0.309 408 V C -0.636 175.386 176.094 -0.121 0.000 1.114 408 V CA -1.019 61.135 62.300 -0.245 0.000 0.940 408 V CB 2.002 33.711 31.823 -0.189 0.000 1.021 408 V HN 0.909 nan 8.190 nan 0.000 0.426 409 I N 4.037 124.559 120.570 -0.080 0.000 2.693 409 I HA 0.689 4.859 4.170 0.000 0.000 0.303 409 I C -0.269 175.861 176.117 0.022 0.000 1.025 409 I CA -0.559 60.733 61.300 -0.014 0.000 1.086 409 I CB 2.000 40.008 38.000 0.013 0.000 1.268 409 I HN 0.466 nan 8.210 nan 0.000 0.440 410 M N 4.438 124.087 119.600 0.081 0.000 2.704 410 M HA 0.641 5.121 4.480 0.000 0.000 0.284 410 M C -1.244 175.325 176.300 0.448 0.000 1.275 410 M CA -0.782 54.611 55.300 0.154 0.000 0.811 410 M CB 2.637 35.238 32.600 0.000 0.000 1.741 410 M HN 0.369 nan 8.290 nan 0.000 0.458 411 L N 0.400 121.918 121.223 0.491 0.000 2.257 411 L HA 0.952 5.292 4.340 0.000 0.000 0.257 411 L C -1.205 175.957 176.870 0.487 0.000 1.033 411 L CA -1.131 53.985 54.840 0.460 0.000 0.835 411 L CB 2.557 44.718 42.059 0.170 0.000 1.398 411 L HN 0.539 nan 8.230 nan 0.000 0.429 412 V N -0.404 119.566 119.914 0.094 0.000 3.000 412 V HA 0.523 4.643 4.120 0.000 0.000 0.300 412 V C -1.318 174.676 176.094 -0.167 0.000 1.251 412 V CA -0.080 62.212 62.300 -0.014 0.000 0.972 412 V CB 2.388 34.118 31.823 -0.155 0.000 1.065 412 V HN 0.785 nan 8.190 nan 0.000 0.431 413 T N 3.151 117.604 114.554 -0.168 0.000 2.824 413 T HA 0.438 4.788 4.350 0.000 0.000 0.282 413 T C -1.098 173.508 174.700 -0.155 0.000 0.993 413 T CA -0.314 61.673 62.100 -0.187 0.000 0.967 413 T CB 1.230 69.947 68.868 -0.251 0.000 0.960 413 T HN 0.981 nan 8.240 nan 0.000 0.441 414 D N 4.104 124.422 120.400 -0.137 0.000 2.374 414 D HA 0.250 4.890 4.640 0.000 0.000 0.240 414 D C 0.024 176.276 176.300 -0.081 0.000 1.229 414 D CA 0.093 54.029 54.000 -0.106 0.000 0.895 414 D CB 0.368 41.115 40.800 -0.090 0.000 1.046 414 D HN 0.528 nan 8.370 nan 0.000 0.498 415 D N 1.808 122.168 120.400 -0.066 0.000 2.723 415 D HA 0.534 5.174 4.640 0.000 0.000 0.247 415 D C 1.068 177.348 176.300 -0.034 0.000 1.134 415 D CA -0.008 53.966 54.000 -0.043 0.000 1.099 415 D CB 1.489 42.273 40.800 -0.026 0.000 1.287 415 D HN 0.501 nan 8.370 nan 0.000 0.634 416 G N -1.004 107.784 108.800 -0.021 0.000 2.527 416 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 416 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 416 G C 0.870 175.761 174.900 -0.016 0.000 1.177 416 G CA 1.221 46.311 45.100 -0.016 0.000 0.695 416 G HN 1.183 nan 8.290 nan 0.000 0.517 417 V N -4.478 115.423 119.914 -0.021 0.000 3.309 417 V HA 0.728 4.848 4.120 0.000 0.000 0.268 417 V C 0.938 177.017 176.094 -0.024 0.000 1.631 417 V CA 1.535 63.824 62.300 -0.020 0.000 1.018 417 V CB 0.421 32.234 31.823 -0.017 0.000 0.841 417 V HN 1.221 nan 8.190 nan 0.000 0.418 418 S N -1.160 114.521 115.700 -0.031 0.000 5.830 418 S HA 0.642 5.112 4.470 0.000 0.000 0.119 418 S C -0.488 174.086 174.600 -0.044 0.000 1.116 418 S CA 0.897 59.076 58.200 -0.035 0.000 1.371 418 S CB 1.263 64.443 63.200 -0.034 0.000 2.079 418 S HN 0.405 nan 8.310 nan 0.000 0.649 419 V N 0.025 119.908 119.914 -0.051 0.000 3.242 419 V HA 0.765 4.885 4.120 0.000 0.000 0.298 419 V C -0.670 175.380 176.094 -0.073 0.000 1.352 419 V CA 0.156 62.418 62.300 -0.063 0.000 1.052 419 V CB 1.662 33.449 31.823 -0.059 0.000 1.101 419 V HN 1.007 nan 8.190 nan 0.000 0.446 420 G N 0.628 109.373 108.800 -0.091 0.000 2.404 420 G HA2 0.565 4.525 3.960 0.000 0.000 0.298 420 G HA3 0.565 4.525 3.960 0.000 0.000 0.298 420 G C -1.331 173.493 174.900 -0.126 0.000 1.577 420 G CA -0.145 44.895 45.100 -0.099 0.000 0.847 420 G HN 0.695 nan 8.290 nan 0.000 0.598 421 T N -0.442 114.041 114.554 -0.118 0.000 2.916 421 T HA 0.768 5.118 4.350 0.000 0.000 0.305 421 T C -0.103 174.505 174.700 -0.153 0.000 1.119 421 T CA -0.015 62.005 62.100 -0.134 0.000 1.008 421 T CB 2.155 70.961 68.868 -0.104 0.000 1.129 421 T HN 1.530 nan 8.240 nan 0.000 0.480 422 G N 1.695 110.367 108.800 -0.214 0.000 2.845 422 G HA2 0.506 4.466 3.960 0.000 0.000 0.282 422 G HA3 0.506 4.466 3.960 0.000 0.000 0.282 422 G C -0.507 174.216 174.900 -0.294 0.000 1.546 422 G CA -0.626 44.269 45.100 -0.341 0.000 1.089 422 G HN 0.648 nan 8.290 nan 0.000 0.558 423 T N 1.074 115.580 114.554 -0.080 0.000 2.727 423 T HA 0.611 4.961 4.350 0.000 0.000 0.298 423 T C 0.491 175.326 174.700 0.225 0.000 0.942 423 T CA -0.326 61.831 62.100 0.094 0.000 0.997 423 T CB 1.767 70.672 68.868 0.062 0.000 0.917 423 T HN 0.679 nan 8.240 nan 0.000 0.487 424 G N 2.498 111.631 108.800 0.554 0.000 2.609 424 G HA2 0.559 4.519 3.960 0.000 0.000 0.308 424 G HA3 0.559 4.519 3.960 0.000 0.000 0.308 424 G C -0.222 174.811 174.900 0.220 0.000 1.369 424 G CA -0.750 44.676 45.100 0.543 0.000 0.958 424 G HN 0.604 nan 8.290 nan 0.000 0.499 425 T N 2.212 116.837 114.554 0.119 0.000 2.882 425 T HA 0.571 4.921 4.350 0.000 0.000 0.287 425 T C -0.243 174.451 174.700 -0.010 0.000 1.014 425 T CA -0.500 61.618 62.100 0.031 0.000 1.049 425 T CB 1.626 70.506 68.868 0.021 0.000 1.001 425 T HN 0.453 nan 8.240 nan 0.000 0.525 426 L N 3.262 124.459 121.223 -0.043 0.000 2.541 426 L HA 0.555 4.895 4.340 0.000 0.000 0.266 426 L C -1.293 175.552 176.870 -0.042 0.000 0.966 426 L CA -0.708 54.103 54.840 -0.048 0.000 0.871 426 L CB 1.109 43.122 42.059 -0.077 0.000 1.232 426 L HN 0.830 nan 8.230 nan 0.000 0.408 427 I N 6.993 127.554 120.570 -0.015 0.000 2.359 427 I HA 0.455 4.625 4.170 0.000 0.000 0.294 427 I C -1.132 175.013 176.117 0.047 0.000 0.987 427 I CA -0.783 60.516 61.300 -0.002 0.000 1.225 427 I CB 1.475 39.472 38.000 -0.005 0.000 1.366 427 I HN 0.715 nan 8.210 nan 0.000 0.466 428 L N 6.007 127.289 121.223 0.097 0.000 2.376 428 L HA 0.505 4.845 4.340 0.000 0.000 0.275 428 L C -0.846 176.140 176.870 0.194 0.000 0.987 428 L CA -0.759 54.167 54.840 0.145 0.000 0.828 428 L CB 1.449 43.609 42.059 0.169 0.000 1.249 428 L HN 0.609 nan 8.230 nan 0.000 0.409 429 H N 4.149 123.264 119.070 0.075 0.000 3.145 429 H HA 0.275 4.831 4.556 0.000 0.000 0.263 429 H C -0.555 174.812 175.328 0.065 0.000 1.057 429 H CA 0.215 56.304 56.048 0.068 0.000 1.477 429 H CB 0.844 30.632 29.762 0.044 0.000 1.529 429 H HN 0.581 nan 8.280 nan 0.000 0.508 430 V N 6.609 126.750 119.914 0.379 0.000 3.083 430 V HA 0.208 4.328 4.120 0.000 0.000 0.306 430 V C 0.847 177.087 176.094 0.244 0.000 1.077 430 V CA -0.556 61.881 62.300 0.228 0.000 1.073 430 V CB 1.497 33.413 31.823 0.156 0.000 1.081 430 V HN 0.597 nan 8.190 nan 0.000 0.474 431 L N 0.856 122.130 121.223 0.086 0.000 2.283 431 L HA 0.584 4.924 4.340 0.000 0.000 0.259 431 L C -0.980 175.904 176.870 0.023 0.000 1.027 431 L CA -0.683 54.180 54.840 0.038 0.000 0.828 431 L CB 2.370 44.405 42.059 -0.041 0.000 1.380 431 L HN 0.622 nan 8.230 nan 0.000 0.425 432 D N 0.130 120.540 120.400 0.017 0.000 2.163 432 D HA 0.579 5.219 4.640 0.000 0.000 0.248 432 D C -1.218 175.078 176.300 -0.006 0.000 1.035 432 D CA -0.116 53.891 54.000 0.011 0.000 0.872 432 D CB 1.789 42.605 40.800 0.025 0.000 1.183 432 D HN 0.157 nan 8.370 nan 0.000 0.445 433 V N 2.091 122.001 119.914 -0.008 0.000 2.914 433 V HA 0.481 4.601 4.120 0.000 0.000 0.314 433 V C -0.161 175.929 176.094 -0.007 0.000 1.084 433 V CA -1.246 61.045 62.300 -0.015 0.000 0.963 433 V CB 1.755 33.562 31.823 -0.025 0.000 1.025 433 V HN 0.538 nan 8.190 nan 0.000 0.432 434 N N 1.300 119.996 118.700 -0.008 0.000 2.645 434 N HA 0.261 5.001 4.740 0.000 0.000 0.233 434 N C 0.093 175.601 175.510 -0.003 0.000 1.058 434 N CA -0.120 52.929 53.050 -0.002 0.000 0.942 434 N CB 0.562 39.047 38.487 -0.005 0.000 1.210 434 N HN 0.764 nan 8.380 nan 0.000 0.512 435 D N 1.230 121.630 120.400 -0.000 0.000 2.119 435 D HA -0.012 4.628 4.640 0.000 0.000 0.231 435 D C 0.178 176.481 176.300 0.006 0.000 0.999 435 D CA 0.835 54.834 54.000 -0.002 0.000 0.915 435 D CB -0.129 40.669 40.800 -0.003 0.000 1.017 435 D HN 0.538 nan 8.370 nan 0.000 0.437 436 N N -0.204 118.503 118.700 0.013 0.000 2.207 436 N HA 0.372 5.112 4.740 0.000 0.000 0.223 436 N C 0.185 175.712 175.510 0.030 0.000 1.339 436 N CA 0.376 53.438 53.050 0.021 0.000 0.889 436 N CB 0.213 38.715 38.487 0.025 0.000 1.128 436 N HN 0.305 nan 8.380 nan 0.000 0.456 437 G N -1.942 106.883 108.800 0.041 0.000 2.642 437 G HA2 0.532 4.492 3.960 0.000 0.000 0.293 437 G HA3 0.532 4.492 3.960 0.000 0.000 0.293 437 G C -2.927 172.027 174.900 0.090 0.000 1.341 437 G CA -1.370 43.766 45.100 0.061 0.000 0.916 437 G HN 0.421 nan 8.290 nan 0.000 0.474 438 P HA 0.160 nan 4.420 nan 0.000 0.266 438 P C -0.598 176.748 177.300 0.077 0.000 1.180 438 P CA 0.161 63.373 63.100 0.187 0.000 0.765 438 P CB 0.989 32.922 31.700 0.389 0.000 0.806 439 V N 3.471 123.399 119.914 0.025 0.000 2.891 439 V HA 0.287 4.407 4.120 0.000 0.000 0.304 439 V C -2.537 173.536 176.094 -0.035 0.000 1.171 439 V CA -1.920 60.378 62.300 -0.002 0.000 0.943 439 V CB 2.311 34.136 31.823 0.004 0.000 1.037 439 V HN 0.395 nan 8.190 nan 0.000 0.427 440 P HA 0.200 nan 4.420 nan 0.000 0.271 440 P C 0.693 177.977 177.300 -0.025 0.000 1.216 440 P CA 0.082 63.160 63.100 -0.036 0.000 0.771 440 P CB 0.875 32.563 31.700 -0.020 0.000 0.864 441 S N 4.538 120.222 115.700 -0.026 0.000 2.343 441 S HA 0.025 4.495 4.470 0.000 0.000 0.212 441 S C -1.291 173.310 174.600 0.001 0.000 1.033 441 S CA 0.660 58.850 58.200 -0.017 0.000 1.004 441 S CB -2.426 60.758 63.200 -0.026 0.000 0.977 441 S HN 0.438 nan 8.310 nan 0.000 0.427 442 P HA 0.468 nan 4.420 nan 0.000 0.284 442 P C -0.467 176.873 177.300 0.067 0.000 1.253 442 P CA -0.490 62.644 63.100 0.057 0.000 0.800 442 P CB 1.042 32.799 31.700 0.095 0.000 0.961 443 R N 0.564 121.058 120.500 -0.009 0.000 2.365 443 R HA 0.288 4.628 4.340 0.000 0.000 0.223 443 R C -0.316 175.831 176.300 -0.254 0.000 0.899 443 R CA 0.106 56.139 56.100 -0.113 0.000 1.059 443 R CB 0.627 30.863 30.300 -0.107 0.000 1.086 443 R HN 0.280 nan 8.270 nan 0.000 0.522 444 V N 1.245 121.058 119.914 -0.168 0.000 2.668 444 V HA 0.367 4.487 4.120 0.000 0.000 0.304 444 V C -0.540 175.554 176.094 -0.000 0.000 1.071 444 V CA -0.910 61.234 62.300 -0.259 0.000 0.894 444 V CB 1.833 33.562 31.823 -0.157 0.000 1.008 444 V HN 0.012 nan 8.190 nan 0.000 0.425 445 F N 1.258 121.137 119.950 -0.118 0.000 2.452 445 F HA 0.721 5.248 4.527 0.000 0.000 0.353 445 F C 0.638 176.394 175.800 -0.073 0.000 1.089 445 F CA -0.938 57.005 58.000 -0.094 0.000 1.080 445 F CB 1.672 40.606 39.000 -0.109 0.000 1.399 445 F HN 0.310 nan 8.300 nan 0.000 0.492 446 T N 1.776 116.455 114.554 0.207 0.000 3.233 446 T HA 0.230 4.580 4.350 0.000 0.000 0.324 446 T C -0.393 174.366 174.700 0.098 0.000 0.992 446 T CA -0.536 61.626 62.100 0.102 0.000 1.414 446 T CB 0.311 69.216 68.868 0.060 0.000 0.935 446 T HN 0.307 nan 8.240 nan 0.000 0.544 447 M N 1.138 120.813 119.600 0.125 0.000 2.197 447 M HA 0.453 4.933 4.480 0.000 0.000 0.305 447 M C 0.389 176.742 176.300 0.089 0.000 1.162 447 M CA -0.283 55.086 55.300 0.116 0.000 1.099 447 M CB 1.001 33.714 32.600 0.188 0.000 1.430 447 M HN 0.542 nan 8.290 nan 0.000 0.481 448 c N 0.257 118.902 118.600 0.075 0.000 2.451 448 c HA 0.285 4.855 4.570 0.000 0.000 0.391 448 c C 1.451 175.580 174.090 0.065 0.000 1.286 448 c CA -0.321 56.043 56.329 0.059 0.000 1.935 448 c CB 1.551 44.083 42.510 0.038 0.000 2.188 448 c HN 0.907 nan 8.230 nan 0.000 0.523 449 D N -0.500 119.929 120.400 0.049 0.000 2.306 449 D HA -0.043 4.597 4.640 0.000 0.000 0.239 449 D C 1.855 178.172 176.300 0.028 0.000 1.105 449 D CA 1.228 55.254 54.000 0.043 0.000 0.950 449 D CB -0.225 40.596 40.800 0.035 0.000 1.036 449 D HN 0.523 nan 8.370 nan 0.000 0.428 450 Q N -0.025 119.786 119.800 0.019 0.000 2.047 450 Q HA -0.164 4.176 4.340 0.000 0.000 0.211 450 Q C 0.222 176.228 176.000 0.009 0.000 1.005 450 Q CA 1.471 57.281 55.803 0.011 0.000 0.866 450 Q CB -0.478 28.266 28.738 0.009 0.000 0.938 450 Q HN 0.337 nan 8.270 nan 0.000 0.414 451 N N -0.424 118.284 118.700 0.013 0.000 2.751 451 N HA 0.224 4.964 4.740 0.000 0.000 0.234 451 N C -2.853 172.666 175.510 0.016 0.000 1.403 451 N CA -0.826 52.230 53.050 0.011 0.000 0.747 451 N CB 1.612 40.102 38.487 0.005 0.000 1.326 451 N HN -0.045 nan 8.380 nan 0.000 0.532 452 P HA -0.022 nan 4.420 nan 0.000 0.265 452 P C -0.236 177.076 177.300 0.020 0.000 1.193 452 P CA 0.126 63.245 63.100 0.033 0.000 0.765 452 P CB 0.490 32.229 31.700 0.065 0.000 0.823 453 E N 4.276 124.479 120.200 0.005 0.000 2.318 453 E HA 0.434 4.784 4.350 0.000 0.000 0.265 453 E C -2.318 174.269 176.600 -0.022 0.000 1.069 453 E CA -2.571 53.825 56.400 -0.007 0.000 0.893 453 E CB -0.478 29.213 29.700 -0.015 0.000 1.076 453 E HN 0.246 nan 8.360 nan 0.000 0.414 454 P HA -0.138 nan 4.420 nan 0.000 0.261 454 P C -1.082 176.149 177.300 -0.114 0.000 1.158 454 P CA 0.458 63.529 63.100 -0.048 0.000 0.758 454 P CB 0.295 31.971 31.700 -0.039 0.000 0.763 455 Q N 3.620 123.303 119.800 -0.195 0.000 2.377 455 Q HA 0.240 4.580 4.340 0.000 0.000 0.249 455 Q C -0.866 174.929 176.000 -0.342 0.000 1.005 455 Q CA -0.380 55.188 55.803 -0.392 0.000 0.912 455 Q CB 0.057 28.297 28.738 -0.830 0.000 1.223 455 Q HN 0.179 nan 8.270 nan 0.000 0.459 456 V N 5.317 125.090 119.914 -0.236 0.000 2.655 456 V HA 0.214 4.334 4.120 0.000 0.000 0.300 456 V C 0.074 176.064 176.094 -0.175 0.000 1.044 456 V CA -0.132 62.069 62.300 -0.165 0.000 1.095 456 V CB 0.408 32.165 31.823 -0.110 0.000 0.952 456 V HN 0.750 nan 8.190 nan 0.000 0.485 457 L N 4.434 125.581 121.223 -0.127 0.000 2.465 457 L HA 0.851 5.191 4.340 0.000 0.000 0.257 457 L C -0.052 176.769 176.870 -0.082 0.000 0.988 457 L CA 0.112 54.901 54.840 -0.084 0.000 0.827 457 L CB 2.720 44.742 42.059 -0.062 0.000 1.397 457 L HN 0.919 nan 8.230 nan 0.000 0.410 458 T N 0.001 114.509 114.554 -0.077 0.000 2.742 458 T HA 0.810 5.160 4.350 0.000 0.000 0.282 458 T C -0.888 173.731 174.700 -0.136 0.000 1.025 458 T CA -0.675 61.361 62.100 -0.108 0.000 1.020 458 T CB 1.419 70.234 68.868 -0.089 0.000 1.317 458 T HN 0.324 nan 8.240 nan 0.000 0.538 459 I N 1.461 121.914 120.570 -0.194 0.000 2.689 459 I HA 0.670 4.840 4.170 0.000 0.000 0.299 459 I C -0.410 175.616 176.117 -0.152 0.000 1.059 459 I CA -0.524 60.630 61.300 -0.244 0.000 1.055 459 I CB 2.539 40.191 38.000 -0.582 0.000 1.243 459 I HN 0.996 nan 8.210 nan 0.000 0.425 460 S N 2.541 118.199 115.700 -0.069 0.000 2.548 460 S HA 0.666 5.136 4.470 0.000 0.000 0.276 460 S C -1.551 173.084 174.600 0.058 0.000 1.129 460 S CA -0.872 57.329 58.200 0.003 0.000 0.931 460 S CB 2.120 65.317 63.200 -0.004 0.000 1.068 460 S HN 0.548 nan 8.310 nan 0.000 0.480 461 D N 1.034 121.488 120.400 0.089 0.000 2.481 461 D HA 0.611 5.251 4.640 0.000 0.000 0.244 461 D C 0.621 176.958 176.300 0.062 0.000 1.057 461 D CA -0.592 53.465 54.000 0.095 0.000 0.848 461 D CB 2.249 43.129 40.800 0.133 0.000 1.388 461 D HN 0.659 nan 8.370 nan 0.000 0.475 462 A N 2.947 125.796 122.820 0.049 0.000 2.208 462 A HA 0.032 4.352 4.320 0.000 0.000 0.209 462 A C 0.703 178.310 177.584 0.038 0.000 1.161 462 A CA 0.449 52.509 52.037 0.038 0.000 0.782 462 A CB 0.155 19.174 19.000 0.030 0.000 0.816 462 A HN 0.457 nan 8.150 nan 0.000 0.477 463 D N -0.679 119.746 120.400 0.042 0.000 2.383 463 D HA 0.360 5.000 4.640 0.000 0.000 0.248 463 D C -0.410 175.915 176.300 0.042 0.000 1.170 463 D CA -0.120 53.902 54.000 0.037 0.000 0.977 463 D CB 1.002 41.821 40.800 0.031 0.000 1.120 463 D HN 0.169 nan 8.370 nan 0.000 0.481 464 I N 0.441 121.035 120.570 0.039 0.000 2.498 464 I HA 0.319 4.489 4.170 0.000 0.000 0.301 464 I C -2.568 173.574 176.117 0.042 0.000 0.984 464 I CA -2.702 58.624 61.300 0.043 0.000 1.204 464 I CB 1.329 39.356 38.000 0.044 0.000 1.362 464 I HN 0.013 nan 8.210 nan 0.000 0.471 465 P HA 0.134 nan 4.420 nan 0.000 0.267 465 P C -2.156 175.166 177.300 0.037 0.000 1.200 465 P CA -0.336 62.797 63.100 0.055 0.000 0.772 465 P CB -0.011 31.728 31.700 0.065 0.000 0.855 466 P HA -0.048 nan 4.420 nan 0.000 0.220 466 P C 0.629 177.965 177.300 0.060 0.000 1.152 466 P CA 1.156 64.281 63.100 0.043 0.000 0.812 466 P CB -0.383 31.307 31.700 -0.015 0.000 0.792 467 N N -0.828 117.890 118.700 0.029 0.000 2.653 467 N HA -0.183 4.557 4.740 0.000 0.000 0.207 467 N C 0.665 176.182 175.510 0.012 0.000 1.074 467 N CA 1.536 54.596 53.050 0.016 0.000 0.951 467 N CB -0.369 38.127 38.487 0.014 0.000 0.956 467 N HN 0.342 nan 8.380 nan 0.000 0.457 468 T N -4.858 109.717 114.554 0.034 0.000 3.209 468 T HA 0.051 4.401 4.350 0.000 0.000 0.295 468 T C 0.104 174.787 174.700 -0.028 0.000 0.977 468 T CA -0.706 61.401 62.100 0.012 0.000 0.922 468 T CB -0.360 68.561 68.868 0.088 0.000 1.152 468 T HN 0.169 nan 8.240 nan 0.000 0.527 469 Y N 3.129 123.361 120.300 -0.113 0.000 2.452 469 Y HA 0.295 4.845 4.550 0.000 0.000 0.355 469 Y C -2.200 173.549 175.900 -0.252 0.000 1.266 469 Y CA -0.755 57.286 58.100 -0.099 0.000 1.514 469 Y CB -0.118 38.295 38.460 -0.079 0.000 1.363 469 Y HN 0.034 nan 8.280 nan 0.000 0.677 470 P HA -0.172 nan 4.420 nan 0.000 0.270 470 P C -1.358 175.677 177.300 -0.441 0.000 1.181 470 P CA 1.279 64.057 63.100 -0.537 0.000 0.767 470 P CB 0.122 31.423 31.700 -0.665 0.000 0.799 471 Y N 0.753 121.008 120.300 -0.076 0.000 2.518 471 Y HA 0.557 5.107 4.550 0.000 0.000 0.332 471 Y C 0.932 176.834 175.900 0.004 0.000 1.276 471 Y CA -0.075 58.013 58.100 -0.020 0.000 1.418 471 Y CB 1.115 39.558 38.460 -0.028 0.000 1.527 471 Y HN 0.100 nan 8.280 nan 0.000 0.549 472 K N 0.752 121.277 120.400 0.209 0.000 2.690 472 K HA 0.388 4.708 4.320 0.000 0.000 0.264 472 K C -1.930 174.747 176.600 0.128 0.000 1.040 472 K CA -0.331 56.030 56.287 0.124 0.000 0.946 472 K CB 1.908 34.454 32.500 0.077 0.000 1.268 472 K HN 0.319 nan 8.250 nan 0.000 0.473 473 V N 1.858 121.833 119.914 0.102 0.000 2.649 473 V HA 0.408 4.528 4.120 0.000 0.000 0.292 473 V C 0.060 176.197 176.094 0.072 0.000 1.055 473 V CA -0.201 62.146 62.300 0.078 0.000 1.023 473 V CB 1.576 33.431 31.823 0.053 0.000 0.992 473 V HN 0.722 nan 8.190 nan 0.000 0.480 474 S N 4.353 120.096 115.700 0.071 0.000 2.546 474 S HA 0.655 5.125 4.470 0.000 0.000 0.272 474 S C -0.971 173.678 174.600 0.083 0.000 1.140 474 S CA -0.613 57.630 58.200 0.072 0.000 0.920 474 S CB 1.511 64.750 63.200 0.065 0.000 1.083 474 S HN 0.518 nan 8.310 nan 0.000 0.476 475 L N 2.356 123.636 121.223 0.096 0.000 2.318 475 L HA 0.468 4.808 4.340 0.000 0.000 0.277 475 L C 1.157 178.104 176.870 0.128 0.000 1.008 475 L CA -0.354 54.561 54.840 0.125 0.000 0.846 475 L CB 1.572 43.722 42.059 0.152 0.000 1.220 475 L HN 0.727 nan 8.230 nan 0.000 0.423 476 S N 1.947 117.723 115.700 0.127 0.000 2.459 476 S HA -0.170 4.300 4.470 0.000 0.000 0.204 476 S C 1.669 176.340 174.600 0.118 0.000 1.102 476 S CA 1.220 59.470 58.200 0.084 0.000 1.258 476 S CB -0.044 63.158 63.200 0.004 0.000 1.033 476 S HN 0.762 nan 8.310 nan 0.000 0.398 477 H N -0.634 118.376 119.070 -0.100 0.000 2.276 477 H HA 0.142 4.698 4.556 0.000 0.000 0.307 477 H C 1.286 176.663 175.328 0.081 0.000 1.061 477 H CA 0.551 56.562 56.048 -0.060 0.000 1.336 477 H CB -0.537 29.129 29.762 -0.160 0.000 1.396 477 H HN 0.510 nan 8.280 nan 0.000 0.503 478 G N 0.648 109.614 108.800 0.277 0.000 3.008 478 G HA2 0.025 3.985 3.960 0.000 0.000 0.272 478 G HA3 0.025 3.985 3.960 0.000 0.000 0.272 478 G C 0.739 175.809 174.900 0.283 0.000 0.764 478 G CA 0.263 45.524 45.100 0.268 0.000 2.029 478 G HN 0.424 nan 8.290 nan 0.000 0.587 479 S N -0.307 115.502 115.700 0.181 0.000 2.575 479 S HA 0.156 4.626 4.470 0.000 0.000 0.215 479 S C 0.229 174.920 174.600 0.151 0.000 0.966 479 S CA -0.236 58.066 58.200 0.171 0.000 0.911 479 S CB 0.565 63.834 63.200 0.115 0.000 0.780 479 S HN 0.233 nan 8.310 nan 0.000 0.514 480 D N 0.004 120.483 120.400 0.132 0.000 2.491 480 D HA 0.341 4.981 4.640 0.000 0.000 0.232 480 D C -1.021 175.292 176.300 0.022 0.000 1.334 480 D CA -0.112 53.922 54.000 0.057 0.000 0.909 480 D CB 1.040 41.850 40.800 0.018 0.000 1.513 480 D HN 0.192 nan 8.370 nan 0.000 0.514 481 L N 0.980 122.201 121.223 -0.004 0.000 3.635 481 L HA 0.219 4.559 4.340 0.000 0.000 0.338 481 L C -0.577 176.080 176.870 -0.356 0.000 1.275 481 L CA 0.352 55.151 54.840 -0.069 0.000 1.092 481 L CB 0.412 42.555 42.059 0.140 0.000 1.465 481 L HN 0.349 nan 8.230 nan 0.000 0.625 482 T N -0.344 114.034 114.554 -0.294 0.000 1.377 482 T HA -0.206 4.144 4.350 0.000 0.000 0.677 482 T C -0.987 173.268 174.700 -0.743 0.000 0.963 482 T CA 1.334 63.191 62.100 -0.406 0.000 3.590 482 T CB -1.171 67.455 68.868 -0.405 0.000 2.055 482 T HN 0.407 nan 8.240 nan 0.000 0.401 483 W N 1.974 123.319 121.300 0.075 0.000 3.624 483 W HA 0.555 5.215 4.660 0.000 0.000 0.312 483 W C -0.278 176.279 176.519 0.064 0.000 1.203 483 W CA -1.052 56.345 57.345 0.087 0.000 1.225 483 W CB 1.660 31.190 29.460 0.117 0.000 1.321 483 W HN 0.551 nan 8.180 nan 0.000 0.506 484 K N 2.316 122.915 120.400 0.333 0.000 2.541 484 K HA 0.778 5.098 4.320 0.000 0.000 0.250 484 K C -0.352 176.341 176.600 0.155 0.000 0.950 484 K CA -0.568 55.833 56.287 0.189 0.000 0.805 484 K CB 1.509 34.080 32.500 0.118 0.000 1.166 484 K HN 0.535 nan 8.250 nan 0.000 0.430 485 A N 3.627 126.518 122.820 0.120 0.000 2.407 485 A HA 0.402 4.722 4.320 0.000 0.000 0.248 485 A C -0.611 177.004 177.584 0.051 0.000 1.082 485 A CA 0.222 52.306 52.037 0.078 0.000 0.785 485 A CB 0.421 19.466 19.000 0.074 0.000 1.020 485 A HN 0.760 nan 8.150 nan 0.000 0.489 486 E N 0.528 120.745 120.200 0.028 0.000 2.388 486 E HA 0.334 4.684 4.350 0.000 0.000 0.282 486 E C -1.670 174.927 176.600 -0.005 0.000 1.026 486 E CA -0.453 55.956 56.400 0.015 0.000 0.820 486 E CB 1.347 31.054 29.700 0.013 0.000 1.226 486 E HN 0.575 nan 8.360 nan 0.000 0.432 487 L N 1.157 122.378 121.223 -0.004 0.000 2.331 487 L HA 0.415 4.755 4.340 0.000 0.000 0.275 487 L C 0.597 177.455 176.870 -0.020 0.000 1.022 487 L CA -0.866 53.963 54.840 -0.018 0.000 0.812 487 L CB 1.229 43.285 42.059 -0.004 0.000 1.257 487 L HN 0.440 nan 8.230 nan 0.000 0.435 488 D N 0.527 120.906 120.400 -0.034 0.000 2.362 488 D HA 0.015 4.655 4.640 0.000 0.000 0.242 488 D C 0.982 177.269 176.300 -0.021 0.000 1.132 488 D CA 0.138 54.120 54.000 -0.030 0.000 0.907 488 D CB 1.669 42.445 40.800 -0.041 0.000 1.195 488 D HN 0.664 nan 8.370 nan 0.000 0.429 489 S N 2.979 118.670 115.700 -0.015 0.000 2.345 489 S HA -0.210 4.260 4.470 0.000 0.000 0.220 489 S C 1.388 175.981 174.600 -0.012 0.000 1.031 489 S CA 0.840 59.035 58.200 -0.009 0.000 0.996 489 S CB -0.161 63.036 63.200 -0.005 0.000 0.882 489 S HN 0.552 nan 8.310 nan 0.000 0.445 490 K N 1.988 122.379 120.400 -0.015 0.000 3.358 490 K HA 0.266 4.586 4.320 0.000 0.000 0.297 490 K C 1.304 177.888 176.600 -0.026 0.000 1.064 490 K CA 0.481 56.758 56.287 -0.016 0.000 1.144 490 K CB -1.211 31.280 32.500 -0.014 0.000 1.289 490 K HN 0.568 nan 8.250 nan 0.000 0.372 491 G N 0.081 108.862 108.800 -0.031 0.000 5.260 491 G HA2 -0.530 3.430 3.960 0.000 0.000 0.276 491 G HA3 -0.530 3.430 3.960 0.000 0.000 0.276 491 G C 1.064 175.926 174.900 -0.063 0.000 1.357 491 G CA 1.000 46.077 45.100 -0.039 0.000 1.008 491 G HN 0.476 nan 8.290 nan 0.000 0.777 492 T N 1.279 115.789 114.554 -0.073 0.000 2.685 492 T HA -0.011 4.339 4.350 0.000 0.000 0.268 492 T C 1.703 176.309 174.700 -0.156 0.000 1.034 492 T CA 2.894 64.921 62.100 -0.122 0.000 1.149 492 T CB -0.673 68.145 68.868 -0.082 0.000 0.860 492 T HN 1.871 nan 8.240 nan 0.000 0.449 493 S N 0.749 116.383 115.700 -0.110 0.000 2.713 493 S HA 0.670 5.140 4.470 0.000 0.000 0.283 493 S C -0.211 174.329 174.600 -0.101 0.000 1.161 493 S CA -1.012 57.123 58.200 -0.108 0.000 0.999 493 S CB 1.287 64.439 63.200 -0.080 0.000 1.039 493 S HN 0.665 nan 8.310 nan 0.000 0.548 494 M N 0.581 120.125 119.600 -0.093 0.000 2.457 494 M HA 0.577 5.057 4.480 0.000 0.000 0.300 494 M C -1.882 174.380 176.300 -0.063 0.000 1.141 494 M CA -0.831 54.427 55.300 -0.070 0.000 0.901 494 M CB 1.469 34.027 32.600 -0.068 0.000 1.687 494 M HN 0.522 nan 8.290 nan 0.000 0.449 495 L N 3.784 124.982 121.223 -0.041 0.000 2.255 495 L HA 0.500 4.840 4.340 0.000 0.000 0.289 495 L C -1.040 175.821 176.870 -0.015 0.000 1.046 495 L CA -0.717 54.100 54.840 -0.039 0.000 0.816 495 L CB 1.086 43.133 42.059 -0.021 0.000 1.197 495 L HN 0.627 nan 8.230 nan 0.000 0.427 496 L N 3.406 124.604 121.223 -0.043 0.000 2.265 496 L HA 0.506 4.846 4.340 0.000 0.000 0.289 496 L C -0.342 176.583 176.870 0.093 0.000 1.033 496 L CA 0.513 55.360 54.840 0.012 0.000 0.814 496 L CB 1.313 43.322 42.059 -0.083 0.000 1.203 496 L HN 0.549 nan 8.230 nan 0.000 0.423 497 S N 5.496 121.324 115.700 0.213 0.000 2.548 497 S HA 0.629 5.099 4.470 0.000 0.000 0.276 497 S C -2.571 172.205 174.600 0.294 0.000 1.129 497 S CA -0.885 57.456 58.200 0.235 0.000 0.931 497 S CB 2.053 65.316 63.200 0.105 0.000 1.068 497 S HN 0.335 nan 8.310 nan 0.000 0.480 498 P HA 0.278 nan 4.420 nan 0.000 0.300 498 P C 0.643 177.876 177.300 -0.112 0.000 1.294 498 P CA 0.163 63.132 63.100 -0.219 0.000 0.757 498 P CB 0.439 31.896 31.700 -0.404 0.000 1.377 499 T N -3.831 110.612 114.554 -0.185 0.000 3.416 499 T HA 0.092 4.442 4.350 0.000 0.000 0.298 499 T C -0.463 174.162 174.700 -0.126 0.000 0.874 499 T CA -0.037 61.999 62.100 -0.106 0.000 0.901 499 T CB -0.284 68.548 68.868 -0.060 0.000 1.215 499 T HN 0.141 nan 8.240 nan 0.000 0.677 500 Q N 0.911 120.598 119.800 -0.188 0.000 2.399 500 Q HA 0.378 4.718 4.340 0.000 0.000 0.276 500 Q C -0.242 175.669 176.000 -0.149 0.000 1.098 500 Q CA -0.577 55.128 55.803 -0.164 0.000 0.827 500 Q CB 1.853 30.469 28.738 -0.203 0.000 1.386 500 Q HN 0.354 nan 8.270 nan 0.000 0.443 501 Q N 1.378 121.114 119.800 -0.106 0.000 2.282 501 Q HA 0.164 4.504 4.340 0.000 0.000 0.205 501 Q C 0.057 176.014 176.000 -0.072 0.000 0.915 501 Q CA -0.129 55.630 55.803 -0.074 0.000 0.949 501 Q CB 0.108 28.816 28.738 -0.050 0.000 1.035 501 Q HN 0.560 nan 8.270 nan 0.000 0.484 502 L N 1.996 123.148 121.223 -0.117 0.000 2.587 502 L HA -0.190 4.150 4.340 0.000 0.000 0.315 502 L C 0.693 177.537 176.870 -0.044 0.000 1.288 502 L CA 0.931 55.698 54.840 -0.122 0.000 0.849 502 L CB 0.179 42.105 42.059 -0.222 0.000 1.080 502 L HN 0.316 nan 8.230 nan 0.000 0.541 503 K N 1.900 122.258 120.400 -0.069 0.000 2.505 503 K HA -0.088 4.232 4.320 0.000 0.000 0.272 503 K C 0.036 176.690 176.600 0.089 0.000 0.963 503 K CA 0.041 56.321 56.287 -0.012 0.000 0.932 503 K CB 0.068 32.532 32.500 -0.060 0.000 0.924 503 K HN 0.319 nan 8.250 nan 0.000 0.520 504 K N 2.162 122.605 120.400 0.072 0.000 2.021 504 K HA 0.027 4.347 4.320 0.000 0.000 0.238 504 K C 0.507 177.183 176.600 0.128 0.000 1.149 504 K CA 0.620 56.962 56.287 0.091 0.000 1.105 504 K CB -1.042 31.490 32.500 0.054 0.000 1.246 504 K HN 0.859 nan 8.250 nan 0.000 0.307 505 G N 3.073 111.988 108.800 0.193 0.000 2.888 505 G HA2 -0.272 3.688 3.960 0.000 0.000 0.441 505 G HA3 -0.272 3.688 3.960 0.000 0.000 0.441 505 G C -0.734 174.314 174.900 0.247 0.000 1.461 505 G CA -0.356 44.857 45.100 0.187 0.000 0.897 505 G HN 0.887 nan 8.290 nan 0.000 0.547 506 D N -1.521 118.953 120.400 0.123 0.000 3.478 506 D HA 0.010 4.650 4.640 0.000 0.000 0.219 506 D C -0.277 176.140 176.300 0.196 0.000 1.143 506 D CA 1.952 56.000 54.000 0.080 0.000 1.047 506 D CB -1.775 39.066 40.800 0.068 0.000 0.820 506 D HN 2.237 nan 8.370 nan 0.000 0.393 507 Y N -1.656 118.641 120.300 -0.005 0.000 2.522 507 Y HA 0.491 5.041 4.550 0.000 0.000 0.326 507 Y C -0.608 175.254 175.900 -0.062 0.000 1.198 507 Y CA -0.628 57.473 58.100 0.002 0.000 1.112 507 Y CB 0.259 38.768 38.460 0.082 0.000 1.342 507 Y HN 0.269 nan 8.280 nan 0.000 0.460 508 S N 4.090 119.770 115.700 -0.033 0.000 2.686 508 S HA 0.771 5.241 4.470 0.000 0.000 0.270 508 S C -0.553 173.930 174.600 -0.194 0.000 1.194 508 S CA -0.514 57.536 58.200 -0.249 0.000 0.990 508 S CB 1.934 64.928 63.200 -0.344 0.000 1.029 508 S HN 1.274 nan 8.310 nan 0.000 0.560 509 I N 0.405 120.738 120.570 -0.396 0.000 2.534 509 I HA 0.394 4.564 4.170 0.000 0.000 0.286 509 I C -1.968 173.990 176.117 -0.265 0.000 1.094 509 I CA -0.995 60.078 61.300 -0.378 0.000 1.055 509 I CB 1.015 38.553 38.000 -0.768 0.000 1.225 509 I HN 0.705 nan 8.210 nan 0.000 0.435 510 Y N 6.379 126.649 120.300 -0.050 0.000 2.436 510 Y HA 0.349 4.899 4.550 0.000 0.000 0.336 510 Y C 0.357 176.245 175.900 -0.019 0.000 1.049 510 Y CA 0.025 58.114 58.100 -0.017 0.000 1.294 510 Y CB 1.000 39.484 38.460 0.040 0.000 1.179 510 Y HN 0.273 nan 8.280 nan 0.000 0.520 511 V N 5.013 124.989 119.914 0.103 0.000 2.850 511 V HA 0.580 4.700 4.120 0.000 0.000 0.315 511 V C -0.721 175.422 176.094 0.081 0.000 1.064 511 V CA -1.014 61.324 62.300 0.063 0.000 0.979 511 V CB 1.871 33.700 31.823 0.009 0.000 1.039 511 V HN 0.493 nan 8.190 nan 0.000 0.452 512 L N 3.884 125.148 121.223 0.069 0.000 2.639 512 L HA 0.646 4.986 4.340 0.000 0.000 0.264 512 L C -1.383 175.531 176.870 0.073 0.000 0.948 512 L CA 0.155 55.036 54.840 0.068 0.000 0.912 512 L CB 1.049 43.148 42.059 0.067 0.000 1.294 512 L HN 0.579 nan 8.230 nan 0.000 0.412 513 L N 2.607 123.881 121.223 0.085 0.000 2.293 513 L HA 0.938 5.278 4.340 0.000 0.000 0.264 513 L C -0.133 176.812 176.870 0.124 0.000 1.029 513 L CA -0.879 54.039 54.840 0.130 0.000 0.897 513 L CB 2.072 44.238 42.059 0.178 0.000 1.497 513 L HN 0.744 nan 8.230 nan 0.000 0.495 514 S N -1.349 114.448 115.700 0.161 0.000 2.565 514 S HA 0.266 4.736 4.470 0.000 0.000 0.274 514 S C -0.977 173.575 174.600 -0.079 0.000 1.144 514 S CA -0.660 57.574 58.200 0.056 0.000 0.849 514 S CB 2.027 65.248 63.200 0.034 0.000 1.103 514 S HN 0.829 nan 8.310 nan 0.000 0.455 515 D N -0.598 119.711 120.400 -0.151 0.000 2.449 515 D HA 0.408 5.048 4.640 0.000 0.000 0.255 515 D C 0.827 177.033 176.300 -0.157 0.000 1.121 515 D CA 0.415 54.215 54.000 -0.333 0.000 0.830 515 D CB 0.059 40.660 40.800 -0.332 0.000 1.280 515 D HN 0.508 nan 8.370 nan 0.000 0.522 516 A N -1.102 121.672 122.820 -0.076 0.000 2.295 516 A HA 0.512 4.832 4.320 0.000 0.000 0.193 516 A C 1.303 178.870 177.584 -0.029 0.000 1.512 516 A CA 1.030 53.044 52.037 -0.039 0.000 1.103 516 A CB 0.723 19.705 19.000 -0.031 0.000 1.331 516 A HN 0.054 nan 8.150 nan 0.000 0.501 517 Q N -2.935 116.846 119.800 -0.033 0.000 7.952 517 Q HA -0.106 4.234 4.340 0.000 0.000 0.369 517 Q C 0.539 176.535 176.000 -0.007 0.000 0.943 517 Q CA 0.932 56.727 55.803 -0.014 0.000 0.540 517 Q CB -0.754 27.980 28.738 -0.006 0.000 0.157 517 Q HN 0.238 nan 8.270 nan 0.000 0.899 518 N N 0.941 119.637 118.700 -0.005 0.000 2.677 518 N HA -0.355 4.385 4.740 0.000 0.000 0.230 518 N C 0.016 175.535 175.510 0.014 0.000 1.021 518 N CA 2.078 55.130 53.050 0.003 0.000 1.156 518 N CB -0.699 37.790 38.487 0.003 0.000 1.117 518 N HN 0.628 nan 8.380 nan 0.000 0.614 519 N N -3.090 115.623 118.700 0.021 0.000 2.936 519 N HA -0.167 4.573 4.740 0.000 0.000 0.236 519 N C -2.320 173.215 175.510 0.042 0.000 0.930 519 N CA 0.515 53.583 53.050 0.031 0.000 0.966 519 N CB -0.935 37.565 38.487 0.021 0.000 1.090 519 N HN 0.299 nan 8.380 nan 0.000 0.592 520 P HA -0.081 nan 4.420 nan 0.000 0.263 520 P C -0.544 176.788 177.300 0.055 0.000 1.175 520 P CA 0.942 64.072 63.100 0.050 0.000 0.761 520 P CB 0.351 32.080 31.700 0.049 0.000 0.794 521 Q N 2.620 122.447 119.800 0.044 0.000 2.286 521 Q HA 0.150 4.490 4.340 0.000 0.000 0.265 521 Q C 0.217 176.246 176.000 0.048 0.000 1.080 521 Q CA 0.291 56.121 55.803 0.045 0.000 0.906 521 Q CB 0.486 29.244 28.738 0.034 0.000 1.227 521 Q HN 0.502 nan 8.270 nan 0.000 0.409 522 L N 1.118 122.376 121.223 0.058 0.000 2.756 522 L HA 0.537 4.877 4.340 0.000 0.000 0.220 522 L C 0.321 177.228 176.870 0.061 0.000 1.797 522 L CA -0.130 54.735 54.840 0.043 0.000 2.814 522 L CB 1.850 43.924 42.059 0.024 0.000 2.634 522 L HN 0.629 nan 8.230 nan 0.000 0.723 523 T N -1.540 113.034 114.554 0.033 0.000 2.640 523 T HA 0.244 4.594 4.350 0.000 0.000 0.268 523 T C -1.629 173.022 174.700 -0.081 0.000 1.406 523 T CA 0.063 62.182 62.100 0.032 0.000 1.078 523 T CB 0.490 69.359 68.868 0.003 0.000 1.923 523 T HN 0.264 nan 8.240 nan 0.000 0.431 524 V N 1.487 121.289 119.914 -0.186 0.000 2.530 524 V HA 0.792 4.912 4.120 0.000 0.000 0.282 524 V C -0.485 175.445 176.094 -0.275 0.000 1.048 524 V CA -0.419 61.683 62.300 -0.330 0.000 0.997 524 V CB 0.876 32.485 31.823 -0.357 0.000 0.987 524 V HN 0.491 nan 8.190 nan 0.000 0.477 525 V N 4.874 124.572 119.914 -0.360 0.000 2.454 525 V HA 0.342 4.462 4.120 0.000 0.000 0.267 525 V C 0.020 175.706 176.094 -0.680 0.000 0.993 525 V CA -0.652 61.388 62.300 -0.434 0.000 0.836 525 V CB 0.708 32.345 31.823 -0.311 0.000 1.055 525 V HN 0.964 nan 8.190 nan 0.000 0.452 526 N N 2.502 120.861 118.700 -0.568 0.000 2.237 526 N HA 0.365 5.105 4.740 0.000 0.000 0.222 526 N C 0.156 175.179 175.510 -0.811 0.000 1.311 526 N CA 0.519 53.229 53.050 -0.567 0.000 0.880 526 N CB 0.637 38.899 38.487 -0.375 0.000 1.106 526 N HN 0.815 nan 8.380 nan 0.000 0.435 527 A N 0.224 122.639 122.820 -0.675 0.000 2.499 527 A HA 0.400 4.720 4.320 0.000 0.000 0.280 527 A C -0.628 176.722 177.584 -0.391 0.000 1.135 527 A CA -0.703 50.962 52.037 -0.619 0.000 0.744 527 A CB 0.454 19.061 19.000 -0.654 0.000 1.213 527 A HN 0.424 nan 8.150 nan 0.000 0.434 528 T N 2.711 117.155 114.554 -0.183 0.000 2.727 528 T HA 0.458 4.808 4.350 0.000 0.000 0.298 528 T C 0.139 174.849 174.700 0.017 0.000 0.942 528 T CA 0.011 62.072 62.100 -0.066 0.000 0.997 528 T CB 0.334 69.177 68.868 -0.042 0.000 0.917 528 T HN 0.438 nan 8.240 nan 0.000 0.487 529 V N 3.649 123.601 119.914 0.063 0.000 2.630 529 V HA 0.710 4.830 4.120 0.000 0.000 0.305 529 V C 0.345 176.492 176.094 0.087 0.000 1.046 529 V CA -0.952 61.414 62.300 0.110 0.000 0.934 529 V CB 1.313 33.255 31.823 0.198 0.000 1.003 529 V HN 1.139 nan 8.190 nan 0.000 0.451 530 c N 0.809 119.453 118.600 0.072 0.000 2.985 530 c HA 0.674 5.244 4.570 0.000 0.000 0.332 530 c C 0.141 174.259 174.090 0.047 0.000 1.164 530 c CA -0.908 55.453 56.329 0.053 0.000 1.347 530 c CB 0.658 43.192 42.510 0.040 0.000 1.764 530 c HN 0.767 nan 8.230 nan 0.000 0.489 531 S N 1.070 116.793 115.700 0.038 0.000 2.817 531 S HA 0.300 4.770 4.470 0.000 0.000 0.333 531 S C 0.207 174.823 174.600 0.027 0.000 1.227 531 S CA 0.809 59.028 58.200 0.031 0.000 1.027 531 S CB -0.451 62.763 63.200 0.023 0.000 0.732 531 S HN 1.196 nan 8.310 nan 0.000 0.499 532 c N 2.585 121.200 118.600 0.025 0.000 3.271 532 c HA 0.442 5.012 4.570 0.000 0.000 0.353 532 c C 0.662 174.762 174.090 0.017 0.000 1.510 532 c CA -0.478 55.864 56.329 0.021 0.000 1.149 532 c CB 0.829 43.355 42.510 0.027 0.000 1.713 532 c HN 0.998 nan 8.230 nan 0.000 0.421 533 E N -0.223 119.986 120.200 0.015 0.000 2.694 533 E HA 0.453 4.803 4.350 0.000 0.000 0.224 533 E C 1.009 177.616 176.600 0.012 0.000 1.068 533 E CA 1.418 57.825 56.400 0.011 0.000 1.043 533 E CB 0.148 29.853 29.700 0.008 0.000 2.367 533 E HN 0.935 nan 8.360 nan 0.000 0.565 534 G N -0.321 108.485 108.800 0.010 0.000 3.531 534 G HA2 0.195 4.155 3.960 0.000 0.000 0.212 534 G HA3 0.195 4.155 3.960 0.000 0.000 0.212 534 G C -0.259 174.644 174.900 0.006 0.000 1.146 534 G CA -0.291 44.814 45.100 0.009 0.000 0.916 534 G HN -0.032 nan 8.290 nan 0.000 0.637 535 K N 1.381 121.784 120.400 0.005 0.000 2.185 535 K HA 0.623 4.943 4.320 0.000 0.000 0.269 535 K C 0.112 176.714 176.600 0.003 0.000 0.987 535 K CA -0.613 55.674 56.287 0.000 0.000 0.865 535 K CB 2.138 34.637 32.500 -0.002 0.000 1.090 535 K HN 0.116 nan 8.250 nan 0.000 0.450 536 A N 4.715 127.533 122.820 -0.004 0.000 2.532 536 A HA -0.048 4.272 4.320 0.000 0.000 0.269 536 A C 0.030 177.616 177.584 0.004 0.000 1.079 536 A CA 0.461 52.496 52.037 -0.002 0.000 0.800 536 A CB -0.709 18.277 19.000 -0.023 0.000 1.000 536 A HN 0.789 nan 8.150 nan 0.000 0.522 537 I N 1.650 122.229 120.570 0.014 0.000 2.822 537 I HA 0.413 4.583 4.170 0.000 0.000 0.312 537 I C 0.533 176.659 176.117 0.016 0.000 1.011 537 I CA -1.123 60.185 61.300 0.013 0.000 1.105 537 I CB 1.317 39.325 38.000 0.015 0.000 1.291 537 I HN 0.683 nan 8.210 nan 0.000 0.474 538 K N 3.506 123.913 120.400 0.012 0.000 2.401 538 K HA 0.134 4.454 4.320 0.000 0.000 0.278 538 K C -0.296 176.312 176.600 0.015 0.000 1.018 538 K CA -0.346 55.948 56.287 0.012 0.000 0.981 538 K CB 0.781 33.285 32.500 0.008 0.000 0.933 538 K HN 0.706 nan 8.250 nan 0.000 0.477 539 c N 1.912 120.522 118.600 0.015 0.000 2.369 539 c HA 0.313 4.883 4.570 0.000 0.000 0.089 539 c C 0.112 174.210 174.090 0.014 0.000 2.614 539 c CA -0.297 56.042 56.329 0.017 0.000 1.724 539 c CB 0.705 43.227 42.510 0.020 0.000 2.453 539 c HN 0.959 nan 8.230 nan 0.000 0.263 540 Q N 0.000 119.808 119.800 0.013 0.000 2.315 540 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 540 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 540 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 540 Q HN 0.000 nan 8.270 nan 0.000 0.481