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 1q5a_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 0.066 0.000 0.688 2 W N 2.189 123.483 121.300 -0.010 0.000 2.289 2 W HA 0.432 5.092 4.660 0.000 0.000 0.342 2 W C 0.756 177.266 176.519 -0.017 0.000 0.958 2 W CA -0.631 56.706 57.345 -0.013 0.000 1.492 2 W CB 0.601 30.053 29.460 -0.014 0.000 1.336 2 W HN 0.281 nan 8.180 nan 0.000 0.371 3 V N 1.838 121.884 119.914 0.220 0.000 4.690 3 V HA 0.397 4.517 4.120 0.000 0.000 0.267 3 V C -0.004 176.157 176.094 0.111 0.000 1.088 3 V CA -0.394 61.982 62.300 0.127 0.000 0.686 3 V CB 0.315 32.177 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 39.867 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 62.638 63.100 0.026 0.000 0.770 5 P CB -0.395 31.323 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 0.229 63.335 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 1.903 122.477 120.570 0.006 0.000 2.354 7 I HA 0.219 4.389 4.170 0.000 0.000 0.286 7 I C 0.044 176.178 176.117 0.028 0.000 1.007 7 I CA -1.207 60.102 61.300 0.014 0.000 1.167 7 I CB 1.080 39.084 38.000 0.007 0.000 1.320 7 I HN 0.151 nan 8.210 nan 0.000 0.458 8 K N 5.798 126.218 120.400 0.034 0.000 2.350 8 K HA 0.553 4.873 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 -0.455 55.858 56.287 0.043 0.000 0.969 8 K CB 0.771 33.293 32.500 0.037 0.000 0.954 8 K HN 0.310 nan 8.250 nan 0.000 0.474 9 V N 0.993 120.945 119.914 0.063 0.000 2.808 9 V HA 0.336 4.456 4.120 0.000 0.000 0.308 9 V C -0.216 175.921 176.094 0.071 0.000 1.099 9 V CA -1.024 61.319 62.300 0.072 0.000 0.920 9 V CB 2.119 33.999 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 0.362 4.832 4.470 0.000 0.000 0.265 10 S C -0.187 174.455 174.600 0.070 0.000 1.303 10 S CA -0.314 57.921 58.200 0.059 0.000 1.000 10 S CB 0.967 64.195 63.200 0.046 0.000 0.935 10 S HN 0.898 nan 8.310 nan 0.000 0.551 11 E N 1.203 121.442 120.200 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 -0.394 56.047 56.400 0.068 0.000 0.856 11 E CB 0.236 29.976 29.700 0.066 0.000 1.120 11 E HN 0.833 nan 8.360 nan 0.000 0.397 12 N N 1.771 120.508 118.700 0.061 0.000 2.725 12 N HA -0.229 4.511 4.740 0.000 0.000 0.251 12 N C -0.750 174.805 175.510 0.074 0.000 1.031 12 N CA 0.577 53.662 53.050 0.058 0.000 0.720 12 N CB -0.727 37.787 38.487 0.045 0.000 0.930 12 N HN 0.624 nan 8.380 nan 0.000 0.543 13 E N 0.949 121.213 120.200 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 1.195 121.756 120.500 0.102 0.000 2.725 14 R HA 0.445 4.785 4.340 0.000 0.000 0.276 14 R C -1.127 175.135 176.300 -0.064 0.000 1.189 14 R CA 0.317 56.471 56.100 0.090 0.000 1.083 14 R CB 1.075 31.426 30.300 0.085 0.000 1.262 14 R HN 0.630 nan 8.270 nan 0.000 0.415 15 G N 2.884 111.555 108.800 -0.214 0.000 2.604 15 G HA2 0.443 4.403 3.960 0.000 0.000 0.242 15 G HA3 0.443 4.403 3.960 0.000 0.000 0.242 15 G C -2.809 171.870 174.900 -0.368 0.000 1.208 15 G CA -0.571 44.370 45.100 -0.265 0.000 0.912 15 G HN 0.450 nan 8.290 nan 0.000 0.502 16 P HA 0.527 nan 4.420 nan 0.000 0.293 16 P C -1.353 175.675 177.300 -0.454 0.000 1.313 16 P CA -0.141 62.789 63.100 -0.284 0.000 0.787 16 P CB 1.034 32.627 31.700 -0.179 0.000 0.910 17 F N 3.767 123.688 119.950 -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 -1.410 56.556 58.000 -0.057 0.000 1.093 17 F CB 0.022 38.987 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 -0.362 62.792 63.100 0.090 0.000 0.770 18 P CB 0.544 32.269 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 -0.289 55.965 56.287 -0.055 0.000 0.833 19 K CB 1.173 33.654 32.500 -0.030 0.000 1.208 19 K HN 0.182 nan 8.250 nan 0.000 0.443 20 R N 3.480 123.916 120.500 -0.106 0.000 2.442 20 R HA 0.196 4.536 4.340 0.000 0.000 0.291 20 R C 0.371 176.688 176.300 0.028 0.000 1.069 20 R CA -0.096 55.946 56.100 -0.097 0.000 1.022 20 R CB 0.548 30.592 30.300 -0.426 0.000 0.976 20 R HN 0.462 nan 8.270 nan 0.000 0.443 21 L N 2.949 124.256 121.223 0.141 0.000 2.379 21 L HA 0.264 4.604 4.340 0.000 0.000 0.190 21 L C 0.318 177.307 176.870 0.199 0.000 1.111 21 L CA 0.849 55.774 54.840 0.142 0.000 0.820 21 L CB 0.135 42.276 42.059 0.137 0.000 1.046 21 L HN 0.357 nan 8.230 nan 0.000 0.485 22 V N -1.549 118.524 119.914 0.264 0.000 3.258 22 V HA 0.429 4.549 4.120 0.000 0.000 0.299 22 V C -1.884 174.252 176.094 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 3.257 122.824 119.800 -0.389 0.000 2.340 23 Q HA 0.720 5.060 4.340 0.000 0.000 0.268 23 Q C -1.250 174.410 176.000 -0.567 0.000 1.031 23 Q CA -0.711 54.579 55.803 -0.855 0.000 0.804 23 Q CB 1.920 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 0.038 120.281 120.570 -0.545 0.000 2.603 24 I HA 0.695 4.865 4.170 0.000 0.000 0.300 24 I C -1.327 174.447 176.117 -0.572 0.000 1.017 24 I CA -0.917 60.112 61.300 -0.453 0.000 1.098 24 I CB 2.029 39.816 38.000 -0.354 0.000 1.279 24 I HN 0.530 nan 8.210 nan 0.000 0.437 25 K N 3.582 123.772 120.400 -0.350 0.000 2.482 25 K HA 0.438 4.758 4.320 0.000 0.000 0.251 25 K C -1.268 175.326 176.600 -0.010 0.000 0.936 25 K CA -0.459 55.698 56.287 -0.218 0.000 0.791 25 K CB 2.252 34.652 32.500 -0.166 0.000 1.213 25 K HN 0.812 nan 8.250 nan 0.000 0.428 26 S N 1.588 117.408 115.700 0.200 0.000 2.508 26 S HA 0.140 4.610 4.470 0.000 0.000 0.284 26 S C 0.688 175.355 174.600 0.112 0.000 1.192 26 S CA -0.639 57.667 58.200 0.176 0.000 1.070 26 S CB 0.471 63.812 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 2.299 27 N HA 0.096 4.836 4.740 0.000 0.000 0.187 27 N C 0.893 176.438 175.510 0.058 0.000 1.099 27 N CA -0.217 52.862 53.050 0.047 0.000 0.867 27 N CB 0.012 38.513 38.487 0.024 0.000 0.974 27 N HN 0.413 nan 8.380 nan 0.000 0.477 28 K N 1.144 121.585 120.400 0.069 0.000 2.630 28 K HA -0.033 4.287 4.320 0.000 0.000 0.204 28 K C -0.003 176.656 176.600 0.098 0.000 1.024 28 K CA 0.383 56.713 56.287 0.073 0.000 1.157 28 K CB 0.032 32.569 32.500 0.061 0.000 0.899 28 K HN 0.448 nan 8.250 nan 0.000 0.501 29 D N -1.530 118.925 120.400 0.092 0.000 2.339 29 D HA -0.092 4.548 4.640 0.000 0.000 0.217 29 D C 1.551 177.905 176.300 0.090 0.000 1.050 29 D CA -0.073 53.983 54.000 0.094 0.000 0.856 29 D CB 0.184 41.032 40.800 0.081 0.000 0.922 29 D HN 0.035 nan 8.370 nan 0.000 0.518 30 R N -0.582 119.977 120.500 0.097 0.000 2.127 30 R HA -0.163 4.177 4.340 0.000 0.000 0.238 30 R C 1.355 177.718 176.300 0.106 0.000 1.134 30 R CA 1.109 57.260 56.100 0.084 0.000 0.975 30 R CB -0.324 30.028 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 0.869 176.677 175.800 0.014 0.000 1.093 31 F CA 0.917 58.925 58.000 0.012 0.000 1.263 31 F CB 0.069 39.075 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 -1.752 173.777 175.510 0.033 0.000 1.560 32 N CA -0.794 52.224 53.050 -0.054 0.000 0.752 32 N CB 1.185 39.775 38.487 0.172 0.000 1.863 32 N HN -0.040 nan 8.380 nan 0.000 0.636 33 K N 0.479 120.903 120.400 0.039 0.000 2.205 33 K HA 0.460 4.780 4.320 0.000 0.000 0.279 33 K C -1.120 175.524 176.600 0.074 0.000 1.027 33 K CA -0.506 55.820 56.287 0.065 0.000 0.932 33 K CB 0.653 33.213 32.500 0.100 0.000 1.032 33 K HN 0.294 nan 8.250 nan 0.000 0.466 34 V N 4.675 124.599 119.914 0.015 0.000 2.483 34 V HA 0.192 4.312 4.120 0.000 0.000 0.295 34 V C -0.965 175.027 176.094 -0.170 0.000 1.035 34 V CA -0.766 61.468 62.300 -0.111 0.000 0.896 34 V CB 1.092 32.754 31.823 -0.268 0.000 0.986 34 V HN 0.677 nan 8.190 nan 0.000 0.447 35 Y N 4.798 124.960 120.300 -0.229 0.000 2.369 35 Y HA 0.511 5.061 4.550 0.000 0.000 0.337 35 Y C -0.573 175.237 175.900 -0.150 0.000 0.961 35 Y CA -0.701 57.356 58.100 -0.071 0.000 1.186 35 Y CB 0.710 39.191 38.460 0.035 0.000 1.139 35 Y HN 0.595 nan 8.280 nan 0.000 0.494 36 Y N 4.535 124.802 120.300 -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 0.943 39.379 38.460 -0.041 0.000 1.182 36 Y HN 0.642 nan 8.280 nan 0.000 0.502 37 S N 4.060 119.929 115.700 0.282 0.000 2.811 37 S HA 0.848 5.318 4.470 0.000 0.000 0.311 37 S C -1.120 173.637 174.600 0.262 0.000 1.152 37 S CA -0.886 57.481 58.200 0.279 0.000 0.864 37 S CB 2.435 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 0.663 121.386 120.570 0.254 0.000 2.800 38 I HA 0.547 4.717 4.170 0.000 0.000 0.294 38 I C -1.728 174.508 176.117 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 40.054 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 -0.264 174.499 174.700 0.104 0.000 1.075 39 T CA -0.130 62.071 62.100 0.167 0.000 1.005 39 T CB 2.020 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 0.539 109.395 108.800 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 -0.062 119.764 119.800 0.044 0.000 2.313 41 Q HA 0.423 4.763 4.340 0.000 0.000 0.266 41 Q C 1.305 177.377 176.000 0.121 0.000 0.989 41 Q CA 1.248 57.063 55.803 0.020 0.000 0.890 41 Q CB 1.087 29.782 28.738 -0.072 0.000 1.200 41 Q HN 2.252 nan 8.270 nan 0.000 0.396 42 G N 1.364 110.255 108.800 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 0.333 0.000 0.998 42 G CA 0.323 45.639 45.100 0.360 0.000 0.621 42 G HN 0.744 nan 8.290 nan 0.000 0.519 43 A N 0.767 123.717 122.820 0.215 0.000 3.152 43 A HA 0.560 4.880 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 -0.246 176.090 176.300 0.061 0.000 1.001 44 D CA 0.024 54.072 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 1.440 120.177 118.700 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 51.426 53.050 0.042 0.000 0.961 45 N CB 1.038 39.547 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 0.009 nan 4.420 nan 0.000 0.264 47 P C -0.428 176.887 177.300 0.024 0.000 1.236 47 P CA 0.449 63.536 63.100 -0.022 0.000 0.811 47 P CB 0.068 31.736 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 0.415 4.755 4.340 0.000 0.000 0.263 48 Q C 1.251 177.263 176.000 0.021 0.000 0.979 48 Q CA 0.144 55.969 55.803 0.037 0.000 0.885 48 Q CB 0.381 29.139 28.738 0.033 0.000 1.218 48 Q HN 0.677 nan 8.270 nan 0.000 0.405 49 G N 1.160 109.983 108.800 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 0.423 175.270 174.900 -0.089 0.000 1.018 49 G CA 0.163 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 -0.134 0.000 2.649 50 V HA 0.343 4.463 4.120 0.000 0.000 0.248 50 V C 0.976 176.583 176.094 -0.812 0.000 1.054 50 V CA 1.502 63.497 62.300 -0.508 0.000 1.073 50 V CB -0.380 31.039 31.823 -0.674 0.000 0.699 50 V HN 0.345 nan 8.190 nan 0.000 0.463 51 F N 0.406 120.326 119.950 -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 -1.220 56.763 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 1.793 122.412 120.500 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 2.455 32.824 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 -0.562 175.644 176.117 0.148 0.000 1.036 53 I CA -1.066 60.318 61.300 0.141 0.000 1.074 53 I CB 2.393 40.463 38.000 0.117 0.000 1.258 53 I HN 0.724 nan 8.210 nan 0.000 0.430 54 E N 8.121 128.394 120.200 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 -0.023 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 4.104 125.335 121.300 -0.115 0.000 2.279 55 W HA -0.325 4.335 4.660 0.000 0.000 0.298 55 W C 0.921 177.366 176.519 -0.125 0.000 1.228 55 W CA 1.514 58.636 57.345 -0.372 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 0.512 120.277 120.200 -0.726 0.000 2.389 56 E HA -0.082 4.268 4.350 0.000 0.000 0.199 56 E C 2.323 178.813 176.600 -0.185 0.000 0.978 56 E CA 1.429 57.491 56.400 -0.565 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 -3.792 110.664 114.554 -0.163 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 0.581 62.606 62.100 -0.125 0.000 1.139 57 T CB 0.619 69.516 68.868 0.049 0.000 0.884 57 T HN 0.189 nan 8.240 nan 0.000 0.457 58 G N 0.462 109.081 108.800 -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 -0.311 174.324 174.900 -0.441 0.000 1.004 58 G CA -0.535 44.205 45.100 -0.601 0.000 0.677 58 G HN 0.543 nan 8.290 nan 0.000 0.512 59 W N -0.167 121.037 121.300 -0.161 0.000 2.376 59 W HA 0.767 5.427 4.660 0.000 0.000 0.322 59 W C 0.668 177.152 176.519 -0.057 0.000 1.160 59 W CA -0.899 56.384 57.345 -0.103 0.000 1.218 59 W CB 1.129 30.541 29.460 -0.079 0.000 1.205 59 W HN 0.132 nan 8.180 nan 0.000 0.559 60 M N 4.324 124.104 119.600 0.300 0.000 2.364 60 M HA 0.584 5.064 4.480 0.000 0.000 0.334 60 M C -1.310 175.118 176.300 0.212 0.000 1.107 60 M CA -0.466 54.952 55.300 0.197 0.000 0.988 60 M CB 0.942 33.615 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 0.759 5.099 4.340 0.000 0.000 0.260 61 L C -0.929 176.039 176.870 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 0.425 nan 8.230 nan 0.000 0.416 62 V N 0.091 120.067 119.914 0.102 0.000 2.427 62 V HA 0.266 4.386 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 1.686 33.522 31.823 0.022 0.000 0.982 62 V HN 0.925 nan 8.190 nan 0.000 0.452 63 T N 6.472 120.865 114.554 -0.268 0.000 3.044 63 T HA 0.266 4.616 4.350 0.000 0.000 0.255 63 T C 0.660 175.018 174.700 -0.570 0.000 1.073 63 T CA 0.870 62.841 62.100 -0.214 0.000 1.125 63 T CB -0.154 68.594 68.868 -0.200 0.000 0.908 63 T HN 0.855 nan 8.240 nan 0.000 0.480 64 R N 0.076 120.083 120.500 -0.822 0.000 2.752 64 R HA 0.570 4.910 4.340 0.000 0.000 0.271 64 R C -3.344 172.430 176.300 -0.875 0.000 1.026 64 R CA -1.918 53.453 56.100 -1.215 0.000 0.901 64 R CB 0.239 30.161 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 0.408 32.066 31.700 -0.070 0.000 0.923 66 L N -0.602 120.606 121.223 -0.024 0.000 2.376 66 L HA 0.743 5.083 4.340 0.000 0.000 0.258 66 L C -0.635 176.278 176.870 0.072 0.000 1.013 66 L CA -0.893 53.965 54.840 0.030 0.000 0.822 66 L CB 1.978 44.069 42.059 0.053 0.000 1.388 66 L HN 0.118 nan 8.230 nan 0.000 0.413 67 D N -0.355 120.111 120.400 0.110 0.000 2.505 67 D HA 0.301 4.941 4.640 0.000 0.000 0.250 67 D C 0.827 177.204 176.300 0.128 0.000 1.164 67 D CA -0.754 53.304 54.000 0.096 0.000 0.870 67 D CB 1.556 42.400 40.800 0.072 0.000 1.160 67 D HN 0.631 nan 8.370 nan 0.000 0.549 68 R N 2.557 123.126 120.500 0.115 0.000 2.127 68 R HA -0.142 4.198 4.340 0.000 0.000 0.238 68 R C 0.903 177.248 176.300 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 30.175 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 -0.187 4.163 4.350 0.000 0.000 0.196 69 E C 1.660 178.244 176.600 -0.026 0.000 0.993 69 E CA 1.632 58.038 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 -1.423 118.775 120.200 -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 0.516 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 0.138 nan 8.360 nan 0.000 0.453 71 Y N 0.404 120.731 120.300 0.044 0.000 2.346 71 Y HA 0.130 4.680 4.550 0.000 0.000 0.332 71 Y C -0.359 175.590 175.900 0.083 0.000 0.985 71 Y CA -0.841 57.254 58.100 -0.009 0.000 1.112 71 Y CB 1.636 40.011 38.460 -0.141 0.000 1.170 71 Y HN 0.105 nan 8.280 nan 0.000 0.447 72 D N 1.100 121.600 120.400 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 0.207 54.304 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 1.216 33.779 32.500 0.106 0.000 1.434 73 K HN -0.153 nan 8.250 nan 0.000 0.410 74 Y N -0.067 120.234 120.300 0.001 0.000 2.553 74 Y HA 0.573 5.123 4.550 0.000 0.000 0.347 74 Y C -0.815 175.027 175.900 -0.096 0.000 1.019 74 Y CA -0.816 57.247 58.100 -0.062 0.000 1.032 74 Y CB 2.452 40.818 38.460 -0.157 0.000 1.284 74 Y HN 0.178 nan 8.280 nan 0.000 0.466 75 V N 4.235 124.181 119.914 0.052 0.000 2.638 75 V HA 0.604 4.724 4.120 0.000 0.000 0.306 75 V C -0.790 175.293 176.094 -0.017 0.000 1.052 75 V CA -0.819 61.482 62.300 0.001 0.000 0.885 75 V CB 1.955 33.779 31.823 0.002 0.000 0.999 75 V HN 0.578 nan 8.190 nan 0.000 0.424 76 L N 2.485 123.678 121.223 -0.050 0.000 2.350 76 L HA 0.722 5.062 4.340 0.000 0.000 0.260 76 L C -0.319 176.517 176.870 -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 0.578 nan 8.230 nan 0.000 0.416 77 S N 0.480 116.149 115.700 -0.052 0.000 2.478 77 S HA 0.616 5.086 4.470 0.000 0.000 0.312 77 S C -0.572 173.840 174.600 -0.314 0.000 1.094 77 S CA -0.548 57.574 58.200 -0.130 0.000 1.081 77 S CB 1.152 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 4.700 120.169 115.700 -0.386 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 -0.572 0.000 1.152 78 S CA -0.771 57.206 58.200 -0.371 0.000 1.072 78 S CB 0.831 63.949 63.200 -0.137 0.000 1.027 78 S HN 0.792 nan 8.310 nan 0.000 0.500 79 H N 0.233 119.382 119.070 0.132 0.000 2.894 79 H HA 0.800 5.356 4.556 0.000 0.000 0.368 79 H C -0.848 174.590 175.328 0.183 0.000 1.181 79 H CA -1.046 55.084 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 1.591 124.562 122.820 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 0.364 19.419 19.000 0.090 0.000 1.308 80 A HN 0.443 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 62.101 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 1.308 nan 8.190 nan 0.000 0.447 82 S N 0.566 116.294 115.700 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 57.858 58.200 0.076 0.000 0.999 82 S CB 1.360 64.624 63.200 0.107 0.000 0.973 82 S HN 0.788 nan 8.310 nan 0.000 0.544 83 E N 2.034 122.281 120.200 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 1.512 57.937 56.400 0.042 0.000 0.800 83 E CB -0.698 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 0.050 118.790 118.700 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 1.689 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 -1.066 107.738 108.800 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 -0.355 174.537 174.900 -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 1.752 117.452 115.700 -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 0.006 0.000 1.196 86 S CA -0.977 57.220 58.200 -0.005 0.000 1.062 86 S CB 2.147 65.337 63.200 -0.017 0.000 1.009 86 S HN 0.131 nan 8.310 nan 0.000 0.502 87 P HA 0.158 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 -0.283 62.834 63.100 0.029 0.000 0.784 87 P CB 0.642 32.360 31.700 0.029 0.000 0.923 88 V N -0.169 119.771 119.914 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 0.872 63.194 62.300 0.036 0.000 1.181 88 V CB -0.341 31.508 31.823 0.042 0.000 0.941 88 V HN 0.376 nan 8.190 nan 0.000 0.471 89 E N 0.866 121.107 120.200 0.068 0.000 2.212 89 E HA 0.506 4.856 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 32.080 29.700 0.081 0.000 1.172 89 E HN 0.216 nan 8.360 nan 0.000 0.409 90 E N 2.739 122.977 120.200 0.063 0.000 2.465 90 E HA 0.100 4.450 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 -1.093 55.346 56.400 0.066 0.000 0.927 90 E CB 0.139 29.866 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 -0.633 176.660 177.300 -0.013 0.000 1.248 91 P CA 0.541 63.669 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 0.377 119.927 119.600 -0.083 0.000 2.224 92 M HA 0.156 4.636 4.480 0.000 0.000 0.281 92 M C -0.300 175.958 176.300 -0.070 0.000 1.025 92 M CA -0.528 54.739 55.300 -0.054 0.000 0.954 92 M CB 1.922 34.498 32.600 -0.040 0.000 1.639 92 M HN 0.362 nan 8.290 nan 0.000 0.461 93 E N 3.679 123.855 120.200 -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 0.306 56.685 56.400 -0.036 0.000 0.916 93 E CB 0.865 30.556 29.700 -0.015 0.000 0.947 93 E HN 0.570 nan 8.360 nan 0.000 0.440 94 I N 2.959 123.499 120.570 -0.051 0.000 2.569 94 I HA 0.214 4.384 4.170 0.000 0.000 0.290 94 I C -0.794 175.285 176.117 -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 6.445 120.970 114.554 -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 -0.486 61.595 62.100 -0.033 0.000 0.989 95 T CB 1.922 70.788 68.868 -0.004 0.000 1.004 95 T HN 0.272 nan 8.240 nan 0.000 0.455 96 I N 2.965 123.523 120.570 -0.020 0.000 2.499 96 I HA 0.371 4.541 4.170 0.000 0.000 0.288 96 I C -0.686 175.480 176.117 0.080 0.000 1.048 96 I CA -0.969 60.328 61.300 -0.005 0.000 1.062 96 I CB 1.885 39.819 38.000 -0.109 0.000 1.238 96 I HN 0.459 nan 8.210 nan 0.000 0.426 97 N N 5.447 124.192 118.700 0.074 0.000 2.400 97 N HA 0.394 5.134 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 52.652 53.050 0.095 0.000 0.894 97 N CB 2.962 41.488 38.487 0.065 0.000 1.173 97 N HN 0.190 nan 8.380 nan 0.000 0.487 98 V N 3.748 123.743 119.914 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 0.054 31.989 31.823 0.186 0.000 1.019 98 V HN 0.487 nan 8.190 nan 0.000 0.468 99 I N 3.905 124.519 120.570 0.074 0.000 2.533 99 I HA 0.106 4.276 4.170 0.000 0.000 0.284 99 I C 0.900 177.048 176.117 0.050 0.000 1.109 99 I CA 0.169 61.502 61.300 0.055 0.000 1.412 99 I CB 0.273 38.300 38.000 0.045 0.000 1.396 99 I HN 0.590 nan 8.210 nan 0.000 0.543 100 D N 6.480 126.904 120.400 0.041 0.000 2.400 100 D HA 0.078 4.718 4.640 0.000 0.000 0.238 100 D C -0.587 175.729 176.300 0.028 0.000 1.157 100 D CA 0.468 54.489 54.000 0.034 0.000 0.889 100 D CB 0.951 41.766 40.800 0.024 0.000 1.199 100 D HN 0.527 nan 8.370 nan 0.000 0.436 101 Q N 1.636 121.451 119.800 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 1.554 30.307 28.738 0.025 0.000 1.342 101 Q HN 0.345 nan 8.270 nan 0.000 0.427 102 N N 1.785 120.489 118.700 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 -1.417 118.987 120.400 0.007 0.000 2.407 103 D HA 0.071 4.711 4.640 0.000 0.000 0.208 103 D C -0.392 175.911 176.300 0.005 0.000 1.083 103 D CA 0.039 54.044 54.000 0.009 0.000 0.844 103 D CB 0.006 40.816 40.800 0.016 0.000 0.967 103 D HN 0.085 nan 8.370 nan 0.000 0.506 104 N N 1.123 119.823 118.700 -0.000 0.000 2.392 104 N HA 0.234 4.974 4.740 0.000 0.000 0.283 104 N C -0.798 174.705 175.510 -0.012 0.000 1.003 104 N CA -0.523 52.525 53.050 -0.004 0.000 0.892 104 N CB 2.285 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 2.876 123.371 120.500 -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 30.931 30.300 0.003 0.000 1.030 105 R HN 0.322 nan 8.270 nan 0.000 0.491 106 P HA 0.165 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 -0.420 119.936 120.400 -0.074 0.000 2.561 107 K HA 0.383 4.703 4.320 0.000 0.000 0.254 107 K C -1.148 175.465 176.600 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 2.170 122.197 119.950 0.128 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 0.486 58.614 58.000 0.214 0.000 1.287 108 F CB 1.172 40.348 39.000 0.293 0.000 1.132 108 F HN 0.692 nan 8.300 nan 0.000 0.587 109 T N 1.221 116.046 114.554 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 1.545 63.805 62.100 0.268 0.000 1.159 109 T CB -0.159 68.903 68.868 0.323 0.000 0.863 109 T HN 0.542 nan 8.240 nan 0.000 0.434 110 Q N -0.382 119.379 119.800 -0.065 0.000 2.333 110 Q HA 0.387 4.728 4.340 0.000 0.000 0.266 110 Q C 0.337 176.227 176.000 -0.183 0.000 1.053 110 Q CA -0.674 54.912 55.803 -0.361 0.000 0.890 110 Q CB 0.999 29.171 28.738 -0.943 0.000 1.337 110 Q HN -0.029 nan 8.270 nan 0.000 0.474 111 D N -0.520 119.771 120.400 -0.181 0.000 2.346 111 D HA 0.064 4.704 4.640 0.000 0.000 0.206 111 D C -0.597 175.640 176.300 -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 41.555 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 2.350 122.255 119.950 -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 -0.674 57.293 58.000 -0.056 0.000 0.995 113 F CB 2.127 41.094 39.000 -0.056 0.000 1.170 113 F HN 0.422 nan 8.300 nan 0.000 0.478 114 R N 0.568 121.138 120.500 0.116 0.000 2.854 114 R HA 0.838 5.178 4.340 0.000 0.000 0.271 114 R C -0.453 175.872 176.300 0.042 0.000 0.996 114 R CA -1.114 55.018 56.100 0.052 0.000 0.961 114 R CB 2.248 32.560 30.300 0.019 0.000 1.182 114 R HN 0.894 nan 8.270 nan 0.000 0.479 115 G N -0.386 108.423 108.800 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 -1.480 173.429 174.900 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 -1.114 173.516 174.600 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 1.671 nan 8.310 nan 0.000 0.461 117 V N 0.412 120.369 119.914 0.072 0.000 3.178 117 V HA 0.665 4.785 4.120 0.000 0.000 0.302 117 V C -0.310 175.830 176.094 0.078 0.000 1.262 117 V CA -1.179 61.165 62.300 0.074 0.000 1.030 117 V CB 1.871 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 1.128 121.666 120.500 0.064 0.000 2.410 118 R HA 0.313 4.653 4.340 0.000 0.000 0.288 118 R C 1.534 177.874 176.300 0.066 0.000 1.051 118 R CA 0.134 56.271 56.100 0.062 0.000 1.021 118 R CB 1.198 31.527 30.300 0.048 0.000 1.032 118 R HN 0.999 nan 8.270 nan 0.000 0.481 119 E N 2.814 123.058 120.200 0.074 0.000 2.118 119 E HA -0.172 4.178 4.350 0.000 0.000 0.195 119 E C 1.011 177.643 176.600 0.053 0.000 0.992 119 E CA 1.510 57.956 56.400 0.076 0.000 0.804 119 E CB -0.179 29.574 29.700 0.088 0.000 0.741 119 E HN 0.832 nan 8.360 nan 0.000 0.458 120 G N 2.052 110.881 108.800 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 0.325 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 -2.183 117.745 119.914 0.024 0.000 3.237 121 V HA 0.322 4.442 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 -0.862 61.448 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 2.831 122.631 119.800 -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 0.718 63.793 63.100 -0.040 0.000 0.763 123 P CB 0.418 32.089 31.700 -0.048 0.000 0.810 124 G N 1.473 110.262 108.800 -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 -0.127 174.774 174.900 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 0.816 115.376 114.554 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 -0.327 61.783 62.100 0.018 0.000 0.978 125 T CB 1.880 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 3.505 123.317 119.800 0.021 0.000 2.271 126 Q HA 0.259 4.599 4.340 0.000 0.000 0.273 126 Q C 0.282 176.294 176.000 0.021 0.000 1.051 126 Q CA -0.156 55.658 55.803 0.018 0.000 0.901 126 Q CB 0.805 29.546 28.738 0.006 0.000 1.174 126 Q HN 0.620 nan 8.270 nan 0.000 0.385 127 V N 4.792 124.717 119.914 0.019 0.000 3.064 127 V HA 0.205 4.325 4.120 0.000 0.000 0.215 127 V C 0.752 176.836 176.094 -0.018 0.000 1.167 127 V CA 0.401 62.708 62.300 0.011 0.000 1.286 127 V CB 0.318 32.151 31.823 0.017 0.000 1.103 127 V HN 0.917 nan 8.190 nan 0.000 0.510 128 M N 0.204 119.773 119.600 -0.053 0.000 2.356 128 M HA 0.710 5.190 4.480 0.000 0.000 0.219 128 M C -0.461 175.794 176.300 -0.075 0.000 1.004 128 M CA 0.082 55.346 55.300 -0.060 0.000 1.427 128 M CB 1.417 33.962 32.600 -0.093 0.000 1.197 128 M HN 0.536 nan 8.290 nan 0.000 0.739 129 A N 0.054 122.817 122.820 -0.095 0.000 2.547 129 A HA 0.647 4.967 4.320 0.000 0.000 0.298 129 A C -1.719 175.734 177.584 -0.217 0.000 1.062 129 A CA -0.626 51.331 52.037 -0.134 0.000 0.748 129 A CB 1.070 20.033 19.000 -0.063 0.000 1.288 129 A HN 0.456 nan 8.150 nan 0.000 0.396 130 V N 1.338 121.014 119.914 -0.396 0.000 2.876 130 V HA 0.822 4.942 4.120 0.000 0.000 0.312 130 V C 0.107 175.922 176.094 -0.465 0.000 1.085 130 V CA -0.449 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 1.035 nan 8.190 nan 0.000 0.428 131 S N 1.499 117.089 115.700 -0.182 0.000 2.634 131 S HA 1.013 5.483 4.470 0.000 0.000 0.296 131 S C -0.434 174.316 174.600 0.250 0.000 1.104 131 S CA -0.186 58.077 58.200 0.105 0.000 0.920 131 S CB 2.101 65.431 63.200 0.217 0.000 1.111 131 S HN 1.419 nan 8.310 nan 0.000 0.493 132 A N 0.826 123.745 122.820 0.165 0.000 2.549 132 A HA 0.769 5.089 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 -0.713 51.328 52.037 0.007 0.000 0.655 132 A CB 0.665 19.426 19.000 -0.398 0.000 1.299 132 A HN 1.066 nan 8.150 nan 0.000 0.427 133 T N -1.200 113.324 114.554 -0.051 0.000 2.843 133 T HA 0.765 5.115 4.350 0.000 0.000 0.302 133 T C -1.690 172.974 174.700 -0.061 0.000 1.232 133 T CA -0.575 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 -0.523 119.845 120.400 -0.054 0.000 2.619 134 D HA 0.327 4.967 4.640 0.000 0.000 0.241 134 D C 0.300 176.582 176.300 -0.029 0.000 1.087 134 D CA -0.504 53.467 54.000 -0.049 0.000 0.851 134 D CB 2.667 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 1.160 121.348 120.200 -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 56.333 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 0.071 176.368 176.300 -0.006 0.000 1.297 136 D CA 0.149 54.145 54.000 -0.006 0.000 0.958 136 D CB 0.312 41.108 40.800 -0.007 0.000 1.114 136 D HN -0.019 nan 8.370 nan 0.000 0.496 137 D N -0.956 119.443 120.400 -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 0.257 54.257 54.000 -0.001 0.000 0.887 137 D CB 0.164 40.967 40.800 0.005 0.000 1.198 137 D HN 0.570 nan 8.370 nan 0.000 0.444 138 N N 2.011 120.706 118.700 -0.008 0.000 2.423 138 N HA 0.126 4.866 4.740 0.000 0.000 0.262 138 N C -0.051 175.455 175.510 -0.008 0.000 1.467 138 N CA -0.219 52.823 53.050 -0.013 0.000 0.847 138 N CB 0.072 38.548 38.487 -0.018 0.000 1.394 138 N HN 0.356 nan 8.380 nan 0.000 0.495 139 I N -0.881 119.687 120.570 -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 0.763 38.764 38.000 0.002 0.000 1.417 139 I HN 0.027 nan 8.210 nan 0.000 0.501 140 D N -0.272 120.129 120.400 0.001 0.000 2.412 140 D HA 0.150 4.790 4.640 0.000 0.000 0.326 140 D C 0.374 176.674 176.300 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 -0.685 115.014 115.700 -0.002 0.000 2.806 141 S HA 0.576 5.046 4.470 0.000 0.000 0.306 141 S C 0.081 174.673 174.600 -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 0.982 122.195 121.223 -0.017 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 54.653 54.840 -0.026 0.000 0.956 142 L CB -0.472 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 1.324 120.010 118.700 -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 -0.822 107.956 108.800 -0.036 0.000 3.979 144 G HA2 0.267 4.227 3.960 0.000 0.000 0.287 144 G HA3 0.267 4.227 3.960 0.000 0.000 0.287 144 G C -0.352 174.511 174.900 -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 -0.453 119.419 119.914 -0.071 0.000 2.435 145 V HA 0.793 4.913 4.120 0.000 0.000 0.290 145 V C -0.526 175.482 176.094 -0.142 0.000 1.030 145 V CA -1.180 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 0.737 5.077 4.340 0.000 0.000 0.267 146 L C 0.381 177.001 176.870 -0.417 0.000 1.033 146 L CA -0.284 54.343 54.840 -0.355 0.000 0.802 146 L CB 1.363 43.100 42.059 -0.537 0.000 1.267 146 L HN 0.938 nan 8.230 nan 0.000 0.457 147 S N -0.234 115.207 115.700 -0.432 0.000 2.672 147 S HA 0.628 5.098 4.470 0.000 0.000 0.291 147 S C -1.072 173.336 174.600 -0.321 0.000 1.145 147 S CA -0.434 57.582 58.200 -0.307 0.000 1.013 147 S CB 0.404 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 2.551 122.831 120.300 -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 1.504 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 0.832 116.648 115.700 0.192 0.000 2.636 149 S HA 0.785 5.255 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 -0.997 57.271 58.200 0.113 0.000 0.815 149 S CB 1.269 64.514 63.200 0.076 0.000 1.130 149 S HN 0.514 nan 8.310 nan 0.000 0.471 150 I N 0.898 121.508 120.570 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 60.250 61.300 0.051 0.000 1.041 150 I CB 2.077 40.102 38.000 0.041 0.000 1.235 150 I HN 0.671 nan 8.210 nan 0.000 0.423 151 L N 2.015 123.264 121.223 0.043 0.000 3.521 151 L HA 0.537 4.877 4.340 0.000 0.000 0.323 151 L C -0.106 176.787 176.870 0.038 0.000 1.268 151 L CA -0.342 54.522 54.840 0.040 0.000 1.064 151 L CB -0.273 41.809 42.059 0.039 0.000 1.455 151 L HN 0.603 nan 8.230 nan 0.000 0.622 152 K N 1.756 122.181 120.400 0.042 0.000 2.372 152 K HA 0.239 4.559 4.320 0.000 0.000 0.354 152 K C -1.514 175.123 176.600 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 33.442 32.500 0.037 0.000 1.399 152 K HN 0.437 nan 8.250 nan 0.000 0.480 153 Q N 2.522 122.379 119.800 0.096 0.000 2.257 153 Q HA 0.315 4.655 4.340 0.000 0.000 0.255 153 Q C -0.461 175.637 176.000 0.163 0.000 0.920 153 Q CA -0.787 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 2.791 123.287 120.400 0.159 0.000 2.325 154 D HA 0.202 4.842 4.640 0.000 0.000 0.262 154 D C -2.055 174.319 176.300 0.124 0.000 1.263 154 D CA -1.432 52.632 54.000 0.108 0.000 1.020 154 D CB 0.058 40.891 40.800 0.055 0.000 1.117 154 D HN 0.510 nan 8.370 nan 0.000 0.545 155 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 -0.612 30.997 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 -0.084 4.266 4.350 0.000 0.000 0.203 156 E C 0.349 176.942 176.600 -0.012 0.000 1.229 156 E CA 0.578 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 0.274 4.625 4.350 0.000 0.000 0.272 157 E C -2.178 174.067 176.600 -0.591 0.000 0.884 157 E CA -2.289 53.968 56.400 -0.237 0.000 0.753 157 E CB 1.600 31.207 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 -0.086 177.124 177.300 -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 -0.219 0.000 0.788 159 I N -7.344 113.138 120.570 -0.146 0.000 3.264 159 I HA 0.526 4.696 4.170 0.000 0.000 0.315 159 I C -2.596 173.466 176.117 -0.091 0.000 1.154 159 I CA -2.699 58.541 61.300 -0.099 0.000 0.962 159 I CB 2.625 40.563 38.000 -0.103 0.000 1.265 159 I HN -0.366 nan 8.210 nan 0.000 0.463 160 P HA 0.315 nan 4.420 nan 0.000 0.288 160 P C -1.146 176.127 177.300 -0.045 0.000 1.682 160 P CA -0.096 62.984 63.100 -0.033 0.000 1.270 160 P CB -0.415 31.283 31.700 -0.003 0.000 1.596 161 N N 0.078 118.716 118.700 -0.104 0.000 2.646 161 N HA 0.230 4.970 4.740 0.000 0.000 0.303 161 N C 1.005 176.372 175.510 -0.239 0.000 1.921 161 N CA -0.348 52.637 53.050 -0.108 0.000 0.872 161 N CB 0.238 38.680 38.487 -0.075 0.000 1.327 161 N HN -0.090 nan 8.380 nan 0.000 0.492 162 L N -0.707 120.247 121.223 -0.448 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 1.255 55.540 54.840 -0.925 0.000 0.775 162 L CB -0.317 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 -2.689 117.186 119.950 -0.125 0.000 2.675 163 F HA 0.637 5.164 4.527 0.000 0.000 0.324 163 F C 0.060 175.823 175.800 -0.062 0.000 1.106 163 F CA -1.012 56.932 58.000 -0.092 0.000 0.970 163 F CB 1.404 40.344 39.000 -0.099 0.000 1.385 163 F HN -0.491 nan 8.300 nan 0.000 0.489 164 T N 0.427 115.088 114.554 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 61.621 62.100 0.087 0.000 1.007 164 T CB 1.707 70.603 68.868 0.046 0.000 1.289 164 T HN 0.708 nan 8.240 nan 0.000 0.508 165 I N 2.507 123.098 120.570 0.036 0.000 2.647 165 I HA 0.485 4.655 4.170 0.000 0.000 0.295 165 I C -0.668 175.463 176.117 0.024 0.000 1.078 165 I CA -0.961 60.344 61.300 0.009 0.000 1.048 165 I CB 1.952 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 6.133 124.837 118.700 0.007 0.000 2.405 166 N HA 0.141 4.881 4.740 0.000 0.000 0.260 166 N C 0.819 176.383 175.510 0.090 0.000 1.152 166 N CA 0.235 53.303 53.050 0.031 0.000 0.948 166 N CB 0.911 39.404 38.487 0.010 0.000 1.111 166 N HN 0.649 nan 8.380 nan 0.000 0.485 167 R N 2.494 123.056 120.500 0.104 0.000 2.117 167 R HA -0.200 4.140 4.340 0.000 0.000 0.243 167 R C 1.564 177.993 176.300 0.215 0.000 1.143 167 R CA 1.605 57.795 56.100 0.149 0.000 0.968 167 R CB 0.057 30.397 30.300 0.067 0.000 0.863 167 R HN 0.694 nan 8.270 nan 0.000 0.444 168 E N -0.021 120.271 120.200 0.153 0.000 2.060 168 E HA -0.114 4.236 4.350 0.000 0.000 0.189 168 E C 1.671 178.420 176.600 0.248 0.000 0.974 168 E CA 1.572 58.059 56.400 0.145 0.000 0.808 168 E CB 0.217 29.959 29.700 0.070 0.000 0.768 168 E HN 0.409 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 1.501 176.092 174.700 -0.181 0.000 1.085 169 T CA 0.665 62.796 62.100 0.052 0.000 1.109 169 T CB 0.453 69.319 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 1.093 120.884 119.914 -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 33.400 31.823 -0.078 0.000 0.992 171 V HN 0.305 nan 8.190 nan 0.000 0.480 172 I N 2.427 122.942 120.570 -0.092 0.000 2.562 172 I HA 0.581 4.751 4.170 0.000 0.000 0.301 172 I C 0.162 176.279 176.117 -0.000 0.000 1.003 172 I CA 0.016 61.282 61.300 -0.056 0.000 1.127 172 I CB 2.033 39.960 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 -1.054 173.646 174.600 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 2.745 124.040 121.223 0.120 0.000 2.360 174 L HA 0.484 4.824 4.340 0.000 0.000 0.276 174 L C 0.329 177.165 176.870 -0.057 0.000 1.121 174 L CA 0.618 55.468 54.840 0.016 0.000 0.845 174 L CB 0.058 42.104 42.059 -0.022 0.000 1.143 174 L HN 0.855 nan 8.230 nan 0.000 0.452 175 I N 2.692 123.180 120.570 -0.137 0.000 3.300 175 I HA 0.307 4.477 4.170 0.000 0.000 0.279 175 I C 1.250 177.285 176.117 -0.136 0.000 1.172 175 I CA 0.488 61.725 61.300 -0.105 0.000 1.431 175 I CB 0.356 38.309 38.000 -0.080 0.000 1.240 175 I HN 0.771 nan 8.210 nan 0.000 0.453 176 G N 0.054 108.723 108.800 -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 -0.711 174.085 174.900 -0.174 0.000 1.406 176 G CA 0.374 45.358 45.100 -0.193 0.000 1.048 176 G HN 0.257 nan 8.290 nan 0.000 0.548 177 T N -4.918 109.547 114.554 -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 -0.218 174.688 174.900 0.011 0.000 0.989 178 G CA -0.774 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 1.605 122.833 121.223 0.008 0.000 2.462 179 L HA 0.485 4.825 4.340 0.000 0.000 0.272 179 L C -0.285 176.665 176.870 0.133 0.000 1.166 179 L CA 0.158 55.045 54.840 0.078 0.000 0.880 179 L CB 0.914 43.003 42.059 0.049 0.000 1.142 179 L HN 0.164 nan 8.230 nan 0.000 0.473 180 D N 2.502 123.033 120.400 0.219 0.000 2.855 180 D HA 0.158 4.798 4.640 0.000 0.000 0.241 180 D C 0.550 176.964 176.300 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 -0.121 4.219 4.340 0.000 0.000 0.232 181 R C 0.768 177.097 176.300 0.047 0.000 1.126 181 R CA 1.457 57.614 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 0.167 120.388 120.200 0.035 0.000 2.209 182 E HA -0.164 4.186 4.350 0.000 0.000 0.196 182 E C 1.661 178.211 176.600 -0.085 0.000 0.993 182 E CA 1.434 57.828 56.400 -0.010 0.000 0.819 182 E CB 0.124 29.828 29.700 0.006 0.000 0.745 182 E HN 0.336 nan 8.360 nan 0.000 0.477 183 K N -1.143 119.183 120.400 -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 56.242 56.287 -0.467 0.000 0.935 183 K CB 0.685 32.829 32.500 -0.593 0.000 1.089 183 K HN -0.003 nan 8.250 nan 0.000 0.496 184 F N 1.534 121.479 119.950 -0.008 0.000 2.771 184 F HA 0.263 4.790 4.527 0.000 0.000 0.365 184 F C -2.093 173.677 175.800 -0.051 0.000 1.169 184 F CA -1.722 56.229 58.000 -0.082 0.000 1.093 184 F CB 1.829 40.770 39.000 -0.098 0.000 1.363 184 F HN -0.094 nan 8.300 nan 0.000 0.496 185 P HA -0.018 nan 4.420 nan 0.000 0.239 185 P C -0.173 177.174 177.300 0.078 0.000 1.188 185 P CA 0.726 63.875 63.100 0.081 0.000 0.794 185 P CB 1.236 32.955 31.700 0.032 0.000 0.937 186 E N -0.256 119.924 120.200 -0.033 0.000 2.302 186 E HA 0.269 4.619 4.350 0.000 0.000 0.263 186 E C -1.376 175.166 176.600 -0.097 0.000 0.897 186 E CA -0.675 55.729 56.400 0.006 0.000 0.809 186 E CB 1.041 30.745 29.700 0.007 0.000 1.270 186 E HN -0.119 nan 8.360 nan 0.000 0.410 187 Y N 1.270 121.620 120.300 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 0.009 0.000 1.190 187 Y CA -0.320 57.823 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 4.832 119.476 114.554 0.150 0.000 2.892 188 T HA 0.558 4.908 4.350 0.000 0.000 0.311 188 T C -0.820 173.915 174.700 0.058 0.000 1.033 188 T CA -0.762 61.376 62.100 0.063 0.000 0.991 188 T CB -0.194 68.692 68.868 0.031 0.000 0.981 188 T HN 0.491 nan 8.240 nan 0.000 0.457 189 L N 0.496 121.723 121.223 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 2.354 116.899 114.554 -0.015 0.000 2.767 190 T HA 0.533 4.883 4.350 0.000 0.000 0.288 190 T C 0.107 174.798 174.700 -0.014 0.000 0.963 190 T CA -0.531 61.553 62.100 -0.027 0.000 1.019 190 T CB 1.590 70.456 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 -0.686 175.523 176.094 0.191 0.000 1.085 191 V CA -0.972 61.361 62.300 0.054 0.000 0.998 191 V CB 1.963 33.813 31.823 0.045 0.000 1.063 191 V HN 0.869 nan 8.190 nan 0.000 0.447 192 Q N 1.169 121.147 119.800 0.297 0.000 2.379 192 Q HA 0.778 5.118 4.340 0.000 0.000 0.278 192 Q C -1.416 174.726 176.000 0.237 0.000 1.068 192 Q CA -0.666 55.331 55.803 0.324 0.000 0.816 192 Q CB 2.482 31.316 28.738 0.159 0.000 1.387 192 Q HN 1.374 nan 8.270 nan 0.000 0.413 193 A N 1.776 124.640 122.820 0.072 0.000 2.386 193 A HA 0.866 5.186 4.320 0.000 0.000 0.311 193 A C -1.066 176.419 177.584 -0.165 0.000 1.068 193 A CA -0.382 51.550 52.037 -0.176 0.000 0.743 193 A CB 2.147 20.877 19.000 -0.450 0.000 1.258 193 A HN 0.634 nan 8.150 nan 0.000 0.429 194 T N 0.931 115.365 114.554 -0.200 0.000 2.906 194 T HA 0.420 4.770 4.350 0.000 0.000 0.295 194 T C -0.968 173.647 174.700 -0.143 0.000 1.061 194 T CA -0.463 61.556 62.100 -0.135 0.000 1.000 194 T CB 1.463 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 0.189 4.829 4.640 0.000 0.000 0.238 195 D C 0.964 177.221 176.300 -0.071 0.000 1.157 195 D CA 0.079 54.030 54.000 -0.082 0.000 0.889 195 D CB 0.222 40.989 40.800 -0.054 0.000 1.199 195 D HN 0.652 nan 8.370 nan 0.000 0.436 196 L N 1.670 122.854 121.223 -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 -0.056 0.000 1.262 196 L CA 0.296 55.105 54.840 -0.051 0.000 0.837 196 L CB -2.048 39.989 42.059 -0.036 0.000 1.689 196 L HN 0.661 nan 8.230 nan 0.000 0.890 197 E N -1.556 118.598 120.200 -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 -0.411 108.339 108.800 -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 0.942 175.817 174.900 -0.040 0.000 0.975 198 G CA 0.889 45.953 45.100 -0.059 0.000 0.644 198 G HN 0.948 nan 8.290 nan 0.000 0.537 199 A N -0.244 122.552 122.820 -0.040 0.000 1.924 199 A HA 0.599 4.919 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 1.729 53.749 52.037 -0.027 0.000 0.657 199 A CB -0.638 18.348 19.000 -0.024 0.000 0.852 199 A HN 1.519 nan 8.150 nan 0.000 0.454 200 G N 0.012 108.792 108.800 -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 0.369 175.255 174.900 -0.023 0.000 1.782 200 G CA 0.119 45.203 45.100 -0.027 0.000 0.900 200 G HN 0.354 nan 8.290 nan 0.000 0.389 201 L N 0.201 121.408 121.223 -0.027 0.000 2.352 201 L HA 0.589 4.929 4.340 0.000 0.000 0.269 201 L C -0.036 176.819 176.870 -0.024 0.000 1.034 201 L CA -0.696 54.133 54.840 -0.018 0.000 0.806 201 L CB 2.113 44.164 42.059 -0.014 0.000 1.244 201 L HN 0.481 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 -0.593 174.033 174.600 0.044 0.000 1.115 202 S CA -0.757 57.447 58.200 0.006 0.000 0.889 202 S CB 2.214 65.425 63.200 0.018 0.000 1.116 202 S HN 0.600 nan 8.310 nan 0.000 0.486 203 V N -2.072 117.897 119.914 0.092 0.000 3.202 203 V HA 0.901 5.021 4.120 0.000 0.000 0.306 203 V C -1.922 174.385 176.094 0.354 0.000 1.283 203 V CA -1.179 61.234 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 0.920 nan 8.190 nan 0.000 0.448 204 E N 0.029 120.438 120.200 0.348 0.000 2.299 204 E HA 0.888 5.238 4.350 0.000 0.000 0.265 204 E C 0.032 176.532 176.600 -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 1.214 nan 8.360 nan 0.000 0.427 205 G N 0.253 108.688 108.800 -0.607 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 -1.232 173.445 174.900 -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 -0.938 119.310 120.400 -0.254 0.000 2.575 206 K HA 0.585 4.905 4.320 0.000 0.000 0.255 206 K C -1.410 175.174 176.600 -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 4.035 126.828 122.820 -0.045 0.000 2.371 207 A HA 0.796 5.116 4.320 0.000 0.000 0.311 207 A C -1.039 176.523 177.584 -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 19.660 19.000 -0.104 0.000 1.239 207 A HN 0.640 nan 8.150 nan 0.000 0.435 208 I N 2.716 123.280 120.570 -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 1.890 39.895 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 6.063 125.915 119.800 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 -0.710 55.149 55.803 0.094 0.000 0.894 210 Q CB 2.236 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 2.805 123.454 120.570 0.132 0.000 2.328 211 I HA 0.165 4.335 4.170 0.000 0.000 0.287 211 I C 0.579 176.750 176.117 0.091 0.000 1.012 211 I CA -0.415 60.967 61.300 0.136 0.000 1.195 211 I CB 1.615 39.731 38.000 0.194 0.000 1.350 211 I HN 0.500 nan 8.210 nan 0.000 0.464 212 T N 4.281 118.879 114.554 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 0.486 69.382 68.868 0.046 0.000 1.003 212 T HN 0.562 nan 8.240 nan 0.000 0.540 213 D N -0.655 119.772 120.400 0.046 0.000 2.272 213 D HA 0.582 5.222 4.640 0.000 0.000 0.247 213 D C -0.864 175.468 176.300 0.054 0.000 0.990 213 D CA -0.508 53.522 54.000 0.049 0.000 0.931 213 D CB 1.789 42.613 40.800 0.040 0.000 1.195 213 D HN 0.627 nan 8.370 nan 0.000 0.477 214 A N 1.877 124.734 122.820 0.061 0.000 2.515 214 A HA 0.327 4.647 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 -0.048 175.539 175.510 0.128 0.000 1.317 215 N CA 0.234 53.367 53.050 0.138 0.000 1.151 215 N CB -0.226 38.370 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 40.918 40.800 0.043 0.000 0.948 216 D HN 0.391 nan 8.370 nan 0.000 0.472 217 N N 0.241 118.957 118.700 0.028 0.000 2.430 217 N HA 0.537 5.277 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 -0.017 0.000 0.894 217 N CB 1.961 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 1.469 124.202 122.820 -0.144 0.000 2.281 218 A HA 0.690 5.010 4.320 0.000 0.000 0.329 218 A C -2.489 175.028 177.584 -0.111 0.000 1.122 218 A CA -1.508 50.409 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 0.522 nan 4.420 nan 0.000 0.284 219 P C -1.072 176.109 177.300 -0.199 0.000 1.253 219 P CA 0.043 63.029 63.100 -0.190 0.000 0.800 219 P CB 0.767 32.304 31.700 -0.273 0.000 0.961 220 I N 3.214 123.668 120.570 -0.194 0.000 2.447 220 I HA 0.281 4.451 4.170 0.000 0.000 0.287 220 I C -0.292 175.753 176.117 -0.120 0.000 1.023 220 I CA -0.908 60.327 61.300 -0.109 0.000 1.083 220 I CB 1.143 39.130 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 0.400 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 0.215 0.000 2.378 222 D HA 0.061 4.701 4.640 0.000 0.000 0.227 222 D C -1.850 174.483 176.300 0.055 0.000 1.012 222 D CA 0.177 54.256 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 -0.012 0.000 1.303 223 P CA -0.414 62.558 63.100 -0.213 0.000 0.972 223 P CB 2.217 33.370 31.700 -0.911 0.000 1.377 224 K N -0.768 119.594 120.400 -0.064 0.000 2.399 224 K HA 0.208 4.528 4.320 0.000 0.000 0.196 224 K C -0.307 176.259 176.600 -0.056 0.000 1.117 224 K CA 0.732 56.992 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 1.094 176.961 175.900 -0.056 0.000 1.168 226 Y CA -0.967 57.094 58.100 -0.065 0.000 1.269 226 Y CB 2.278 40.693 38.460 -0.075 0.000 1.388 226 Y HN 0.902 nan 8.280 nan 0.000 0.528 227 T N -1.152 113.497 114.554 0.159 0.000 2.932 227 T HA 0.860 5.210 4.350 0.000 0.000 0.318 227 T C -1.291 173.444 174.700 0.059 0.000 1.265 227 T CA -0.733 61.411 62.100 0.073 0.000 1.036 227 T CB 1.580 70.474 68.868 0.044 0.000 1.209 227 T HN 1.065 nan 8.240 nan 0.000 0.484 228 A N 1.877 124.718 122.820 0.035 0.000 2.612 228 A HA 0.816 5.136 4.320 0.000 0.000 0.293 228 A C -1.645 175.965 177.584 0.042 0.000 1.075 228 A CA -1.018 51.038 52.037 0.032 0.000 0.680 228 A CB 1.311 20.311 19.000 0.000 0.000 1.279 228 A HN 0.962 nan 8.150 nan 0.000 0.411 229 L N 0.629 121.888 121.223 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 1.945 44.034 42.059 0.051 0.000 1.271 229 L HN 0.920 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 -3.024 173.048 176.094 -0.036 0.000 1.238 230 V CA -2.015 60.336 62.300 0.084 0.000 1.008 230 V CB 2.276 34.164 31.823 0.110 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 1.912 33.464 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 1.448 57.717 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 -0.503 118.112 118.700 -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 1.270 121.401 120.200 -0.115 0.000 2.940 234 E HA 0.138 4.488 4.350 0.000 0.000 0.203 234 E C 0.571 177.129 176.600 -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 0.779 121.300 120.570 -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 1.345 62.622 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 6.837 115.675 108.800 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 1.276 121.204 119.950 -0.037 0.000 2.665 237 F HA 0.698 5.225 4.527 0.000 0.000 0.308 237 F C -0.467 175.322 175.800 -0.019 0.000 1.112 237 F CA -1.097 56.886 58.000 -0.028 0.000 0.972 237 F CB 1.596 40.574 39.000 -0.037 0.000 1.295 237 F HN 0.412 nan 8.300 nan 0.000 0.440 238 E N 3.920 123.657 120.200 -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 1.140 30.580 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 0.318 176.255 176.094 -0.261 0.000 1.036 239 V CA 1.841 63.901 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 55.079 55.803 -0.177 0.000 0.820 240 Q CB 1.746 30.393 28.738 -0.151 0.000 1.436 240 Q HN 0.482 nan 8.270 nan 0.000 0.395 241 R N 1.360 121.774 120.500 -0.143 0.000 2.720 241 R HA 0.745 5.085 4.340 0.000 0.000 0.272 241 R C -0.939 175.279 176.300 -0.136 0.000 0.991 241 R CA -0.737 55.279 56.100 -0.140 0.000 1.010 241 R CB 1.070 31.333 30.300 -0.062 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 -0.490 176.462 176.870 0.137 0.000 1.008 242 L CA -0.459 54.361 54.840 -0.032 0.000 0.819 242 L CB 2.301 44.210 42.059 -0.250 0.000 1.339 242 L HN 0.532 nan 8.230 nan 0.000 0.420 243 S N 0.668 116.549 115.700 0.301 0.000 2.537 243 S HA 0.939 5.409 4.470 0.000 0.000 0.301 243 S C -0.675 174.005 174.600 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 65.493 63.200 0.148 0.000 1.053 243 S HN 0.592 nan 8.310 nan 0.000 0.501 244 V N -1.061 118.849 119.914 -0.006 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 -0.968 61.254 62.300 -0.130 0.000 1.063 244 V CB 1.696 33.319 31.823 -0.334 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 -0.131 0.000 3.176 245 T HA 0.440 4.790 4.350 0.000 0.000 0.337 245 T C -0.991 173.666 174.700 -0.072 0.000 0.957 245 T CA -0.300 61.757 62.100 -0.071 0.000 1.092 245 T CB 0.739 69.614 68.868 0.011 0.000 1.018 245 T HN 1.080 nan 8.240 nan 0.000 0.473 246 D N 2.120 122.450 120.400 -0.116 0.000 2.312 246 D HA 0.334 4.974 4.640 0.000 0.000 0.248 246 D C 0.298 176.674 176.300 0.127 0.000 1.086 246 D CA -0.694 53.280 54.000 -0.044 0.000 0.948 246 D CB 1.509 42.237 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 0.835 177.788 176.870 0.137 0.000 1.136 247 L CA -0.122 54.798 54.840 0.134 0.000 0.933 247 L CB 0.019 42.116 42.059 0.063 0.000 1.241 247 L HN 0.275 nan 8.230 nan 0.000 0.522 248 D N -0.417 120.086 120.400 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 0.130 0.000 1.019 248 D CB 0.379 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 1.123 120.752 119.600 0.049 0.000 2.220 249 M HA 0.076 4.556 4.480 0.000 0.000 0.343 249 M C -1.902 174.287 176.300 -0.186 0.000 1.470 249 M CA -1.225 54.038 55.300 -0.062 0.000 1.161 249 M CB 1.210 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 0.920 177.764 177.300 -0.761 0.000 1.062 250 P CA 2.407 64.730 63.100 -1.296 0.000 0.995 250 P CB -0.169 30.926 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 3.903 3.960 0.000 0.000 0.210 251 G HA3 -0.057 3.903 3.960 0.000 0.000 0.210 251 G C 0.170 175.067 174.900 -0.006 0.000 1.141 251 G CA 0.490 45.498 45.100 -0.154 0.000 0.788 251 G HN 0.302 nan 8.290 nan 0.000 0.531 252 T N 0.793 115.361 114.554 0.025 0.000 2.907 252 T HA 0.341 4.691 4.350 0.000 0.000 0.284 252 T C -1.845 172.958 174.700 0.172 0.000 1.004 252 T CA -1.179 60.974 62.100 0.088 0.000 1.063 252 T CB 2.154 71.057 68.868 0.059 0.000 0.992 252 T HN -0.239 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 -3.619 119.276 122.820 0.125 0.000 2.465 254 A HA 0.195 4.515 4.320 0.000 0.000 0.255 254 A C 1.110 178.824 177.584 0.217 0.000 1.274 254 A CA -0.271 51.846 52.037 0.134 0.000 0.920 254 A CB -0.803 18.274 19.000 0.127 0.000 1.033 254 A HN 0.291 nan 8.150 nan 0.000 0.516 255 W N -0.872 120.424 121.300 -0.006 0.000 2.121 255 W HA 0.290 4.950 4.660 0.000 0.000 0.275 255 W C 0.171 176.674 176.519 -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 0.514 4.854 4.340 0.000 0.000 0.256 256 Q C -0.267 175.615 176.000 -0.197 0.000 0.927 256 Q CA 0.026 55.781 55.803 -0.081 0.000 0.939 256 Q CB 1.580 30.338 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 2.316 257 A HA 0.577 4.897 4.320 0.000 0.000 0.284 257 A C -0.697 176.661 177.584 -0.377 0.000 1.115 257 A CA -0.442 51.347 52.037 -0.414 0.000 0.812 257 A CB 0.938 19.618 19.000 -0.533 0.000 1.064 257 A HN 0.510 nan 8.150 nan 0.000 0.489 258 V N 2.472 122.093 119.914 -0.488 0.000 2.638 258 V HA 0.464 4.584 4.120 0.000 0.000 0.306 258 V C -0.983 174.858 176.094 -0.420 0.000 1.052 258 V CA -0.277 61.843 62.300 -0.300 0.000 0.885 258 V CB 1.109 32.835 31.823 -0.161 0.000 0.999 258 V HN 0.911 nan 8.190 nan 0.000 0.424 259 Y N 3.052 123.347 120.300 -0.007 0.000 2.782 259 Y HA 0.855 5.405 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 -1.006 57.105 58.100 0.019 0.000 1.216 259 Y CB 1.301 39.774 38.460 0.021 0.000 1.447 259 Y HN 0.587 nan 8.280 nan 0.000 0.616 260 K N 0.352 120.904 120.400 0.252 0.000 2.976 260 K HA 0.188 4.508 4.320 0.000 0.000 0.326 260 K C -1.864 174.803 176.600 0.111 0.000 1.180 260 K CA -0.707 55.661 56.287 0.136 0.000 0.936 260 K CB 0.013 32.570 32.500 0.095 0.000 1.355 260 K HN 0.652 nan 8.250 nan 0.000 0.388 261 I N -0.238 120.376 120.570 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 -0.671 60.658 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 2.835 123.362 120.500 0.045 0.000 2.057 262 R HA 0.247 4.587 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 57.062 56.100 0.046 0.000 0.968 262 R CB -0.207 30.115 30.300 0.037 0.000 0.863 262 R HN 0.566 nan 8.270 nan 0.000 0.433 263 V N 2.429 122.380 119.914 0.062 0.000 2.483 263 V HA 0.218 4.338 4.120 0.000 0.000 0.297 263 V C -0.543 175.625 176.094 0.123 0.000 1.027 263 V CA -0.898 61.448 62.300 0.077 0.000 0.855 263 V CB 1.913 33.780 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 -0.116 53.045 53.050 0.185 0.000 0.946 264 N CB 1.272 39.835 38.487 0.127 0.000 1.212 264 N HN 0.861 nan 8.380 nan 0.000 0.509 265 E N 2.609 122.979 120.200 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 -2.385 105.812 108.800 -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 0.611 174.806 174.900 -1.174 0.000 1.060 266 G CA 0.213 44.457 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 0.944 nan 8.290 nan 0.000 0.503 268 F N -1.766 118.093 119.950 -0.151 0.000 2.983 268 F HA 0.731 5.258 4.527 0.000 0.000 0.307 268 F C 0.020 175.301 175.800 -0.865 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 0.761 120.817 119.950 0.176 0.000 2.615 269 F HA 0.405 4.932 4.527 0.000 0.000 0.312 269 F C -0.774 175.044 175.800 0.031 0.000 1.119 269 F CA -1.221 56.819 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 -0.048 nan 8.300 nan 0.000 0.444 270 N N 2.341 121.167 118.700 0.210 0.000 2.229 270 N HA 0.701 5.441 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 -0.537 52.578 53.050 0.109 0.000 0.776 270 N CB 2.363 40.887 38.487 0.061 0.000 1.501 270 N HN 0.726 nan 8.380 nan 0.000 0.474 271 I N 1.270 121.861 120.570 0.034 0.000 2.571 271 I HA 0.466 4.636 4.170 0.000 0.000 0.289 271 I C -0.946 175.173 176.117 0.005 0.000 1.115 271 I CA -0.203 61.085 61.300 -0.020 0.000 1.045 271 I CB 1.789 39.749 38.000 -0.067 0.000 1.238 271 I HN 0.460 nan 8.210 nan 0.000 0.424 272 T N 3.991 118.534 114.554 -0.017 0.000 2.919 272 T HA 0.600 4.950 4.350 0.000 0.000 0.282 272 T C -0.471 174.248 174.700 0.033 0.000 1.020 272 T CA -0.514 61.599 62.100 0.021 0.000 0.994 272 T CB 1.807 70.681 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 0.705 121.133 120.400 0.047 0.000 2.936 274 D HA 0.379 5.019 4.640 0.000 0.000 0.238 274 D C -2.763 173.568 176.300 0.053 0.000 1.248 274 D CA -2.278 51.745 54.000 0.038 0.000 0.903 274 D CB 2.058 42.873 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 0.440 63.621 63.100 0.134 0.000 0.960 275 P CB -0.046 31.726 31.700 0.121 0.000 1.911 276 E N -1.841 118.436 120.200 0.128 0.000 2.357 276 E HA 0.148 4.498 4.350 0.000 0.000 0.190 276 E C 0.583 177.296 176.600 0.187 0.000 1.022 276 E CA -0.096 56.378 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 0.705 116.477 115.700 0.120 0.000 2.901 277 S HA 0.139 4.609 4.470 0.000 0.000 0.248 277 S C -0.622 173.937 174.600 -0.069 0.000 1.021 277 S CA 0.064 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 1.346 120.002 118.700 -0.073 0.000 2.745 278 N HA -0.247 4.493 4.740 0.000 0.000 0.271 278 N C -0.124 175.358 175.510 -0.048 0.000 0.960 278 N CA 0.418 53.401 53.050 -0.111 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 -0.033 119.764 119.800 -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 55.969 55.803 0.003 0.000 0.924 279 Q CB 0.801 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 1.333 110.024 108.800 -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 -0.883 173.798 174.900 -0.365 0.000 1.094 280 G CA -0.419 44.338 45.100 -0.571 0.000 0.953 280 G HN 0.546 nan 8.290 nan 0.000 0.420 281 I N 3.915 124.328 120.570 -0.262 0.000 2.330 281 I HA 0.407 4.577 4.170 0.000 0.000 0.286 281 I C -0.328 175.671 176.117 -0.196 0.000 1.025 281 I CA -0.832 60.351 61.300 -0.193 0.000 1.197 281 I CB 0.691 38.623 38.000 -0.114 0.000 1.358 281 I HN 0.250 nan 8.210 nan 0.000 0.467 282 L N 7.978 129.065 121.223 -0.226 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 -0.060 54.667 54.840 -0.188 0.000 0.804 282 L CB 1.633 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 -1.399 113.126 114.554 -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 0.143 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 -0.063 114.536 114.554 0.075 0.000 2.771 284 T HA 0.653 5.003 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 0.933 nan 8.240 nan 0.000 0.484 285 A N 3.339 126.077 122.820 -0.136 0.000 1.843 285 A HA 0.093 4.413 4.320 0.000 0.000 0.213 285 A C 1.233 178.790 177.584 -0.045 0.000 1.202 285 A CA 0.518 52.521 52.037 -0.057 0.000 0.607 285 A CB -0.179 18.799 19.000 -0.037 0.000 0.847 285 A HN 0.879 nan 8.150 nan 0.000 0.445 286 K N -0.921 119.445 120.400 -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 0.026 32.542 32.500 0.027 0.000 1.080 286 K HN 0.813 nan 8.250 nan 0.000 0.613 287 G N 1.501 110.259 108.800 -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 -0.366 174.442 174.900 -0.153 0.000 1.436 287 G CA 0.107 45.150 45.100 -0.095 0.000 0.949 287 G HN 0.384 nan 8.290 nan 0.000 0.556 288 L N -1.977 119.125 121.223 -0.203 0.000 2.563 288 L HA 0.890 5.230 4.340 0.000 0.000 0.255 288 L C 0.586 177.353 176.870 -0.172 0.000 1.444 288 L CA 0.059 54.714 54.840 -0.309 0.000 1.526 288 L CB 1.450 43.118 42.059 -0.651 0.000 1.929 288 L HN 0.697 nan 8.230 nan 0.000 0.563 289 D N -1.373 118.853 120.400 -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 0.262 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 2.877 290 F HA 0.677 5.204 4.527 0.000 0.000 0.319 290 F C 0.170 175.984 175.800 0.022 0.000 1.174 290 F CA -1.008 57.003 58.000 0.019 0.000 0.903 290 F CB 0.842 39.861 39.000 0.032 0.000 1.357 290 F HN -0.283 nan 8.300 nan 0.000 0.472 291 E N 0.110 120.551 120.200 0.402 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 0.619 30.402 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 0.487 177.192 176.870 -0.274 0.000 1.068 292 L CA 0.489 55.176 54.840 -0.255 0.000 0.811 292 L CB 0.346 41.984 42.059 -0.702 0.000 0.989 292 L HN -0.082 nan 8.230 nan 0.000 0.467 293 R N -0.568 119.908 120.500 -0.040 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 2.256 32.524 30.300 -0.053 0.000 1.228 293 R HN -0.180 nan 8.270 nan 0.000 0.460 294 K N 0.357 120.852 120.400 0.157 0.000 2.436 294 K HA 0.198 4.518 4.320 0.000 0.000 0.198 294 K C -0.132 176.513 176.600 0.076 0.000 1.174 294 K CA 0.416 56.785 56.287 0.137 0.000 0.951 294 K CB 0.971 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 0.123 119.871 119.800 -0.085 0.000 2.245 295 Q HA 0.268 4.608 4.340 0.000 0.000 0.256 295 Q C -1.549 174.182 176.000 -0.449 0.000 0.942 295 Q CA -0.625 55.097 55.803 -0.135 0.000 0.896 295 Q CB 1.644 30.325 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 -0.827 175.063 175.900 -0.018 0.000 1.101 296 Y CA -0.651 57.468 58.100 0.032 0.000 1.228 296 Y CB 1.553 40.026 38.460 0.021 0.000 1.123 296 Y HN 0.288 nan 8.280 nan 0.000 0.457 297 V N 6.443 126.411 119.914 0.091 0.000 2.311 297 V HA 0.523 4.643 4.120 0.000 0.000 0.275 297 V C -0.404 175.715 176.094 0.041 0.000 1.022 297 V CA -0.481 61.843 62.300 0.040 0.000 0.830 297 V CB 0.636 32.468 31.823 0.015 0.000 1.012 297 V HN 0.567 nan 8.190 nan 0.000 0.452 298 L N 3.214 124.436 121.223 -0.002 0.000 2.350 298 L HA 0.812 5.152 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 2.331 44.352 42.059 -0.063 0.000 1.370 298 L HN 0.371 nan 8.230 nan 0.000 0.416 299 Q N 1.409 121.184 119.800 -0.042 0.000 2.375 299 Q HA 0.710 5.050 4.340 0.000 0.000 0.271 299 Q C -1.624 174.358 176.000 -0.031 0.000 1.074 299 Q CA -0.705 55.065 55.803 -0.055 0.000 0.808 299 Q CB 3.310 32.030 28.738 -0.031 0.000 1.327 299 Q HN 0.484 nan 8.270 nan 0.000 0.441 300 I N 1.424 121.969 120.570 -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 -0.290 61.053 61.300 0.071 0.000 1.078 300 I CB 2.073 40.115 38.000 0.070 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 -0.448 174.410 174.700 0.263 0.000 1.005 301 T CA -0.828 61.424 62.100 0.254 0.000 1.041 301 T CB 1.943 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 -0.131 0.000 1.042 302 V CA -0.570 61.618 62.300 -0.187 0.000 0.877 302 V CB 1.549 33.109 31.823 -0.440 0.000 0.996 302 V HN 1.116 nan 8.190 nan 0.000 0.425 303 E N 4.405 124.497 120.200 -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 -1.062 55.311 56.400 -0.044 0.000 0.841 303 E CB 1.860 31.519 29.700 -0.069 0.000 1.403 303 E HN 0.762 nan 8.360 nan 0.000 0.400 304 N N -1.201 117.431 118.700 -0.114 0.000 2.525 304 N HA 0.375 5.115 4.740 0.000 0.000 0.288 304 N C 0.300 175.712 175.510 -0.164 0.000 1.242 304 N CA -0.216 52.762 53.050 -0.121 0.000 0.905 304 N CB 1.443 39.903 38.487 -0.046 0.000 1.258 304 N HN 0.480 nan 8.380 nan 0.000 0.551 305 A N 0.232 122.984 122.820 -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 1.198 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 0.610 120.734 120.200 -0.128 0.000 2.231 306 E HA 0.499 4.849 4.350 0.000 0.000 0.277 306 E C -2.746 173.690 176.600 -0.273 0.000 0.999 306 E CA -2.379 53.936 56.400 -0.142 0.000 0.827 306 E CB 0.485 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 -0.062 nan 4.420 nan 0.000 0.272 307 P C -1.053 176.010 177.300 -0.394 0.000 1.243 307 P CA 0.148 63.001 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 -1.355 118.592 119.950 -0.005 0.000 2.422 308 F HA 0.234 4.761 4.527 0.000 0.000 0.333 308 F C 1.369 177.172 175.800 0.003 0.000 1.095 308 F CA -0.314 57.685 58.000 -0.001 0.000 1.038 308 F CB 0.367 39.365 39.000 -0.004 0.000 1.156 308 F HN 0.099 nan 8.300 nan 0.000 0.483 309 S N 0.557 116.391 115.700 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 0.837 120.829 119.914 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 -1.890 60.450 62.300 0.066 0.000 1.006 310 V CB 2.111 33.950 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 -1.146 176.110 177.300 -0.074 0.000 1.216 311 P CA 0.162 63.266 63.100 0.006 0.000 0.776 311 P CB 0.483 32.188 31.700 0.008 0.000 0.881 312 L N 3.147 124.284 121.223 -0.143 0.000 2.491 312 L HA 0.563 4.903 4.340 0.000 0.000 0.254 312 L C -2.281 174.478 176.870 -0.185 0.000 1.048 312 L CA -1.842 52.854 54.840 -0.239 0.000 0.855 312 L CB 2.307 44.053 42.059 -0.522 0.000 1.466 312 L HN 0.301 nan 8.230 nan 0.000 0.409 313 P HA 0.253 nan 4.420 nan 0.000 0.293 313 P C -1.098 176.152 177.300 -0.083 0.000 1.300 313 P CA -0.333 62.715 63.100 -0.086 0.000 0.792 313 P CB 1.121 32.788 31.700 -0.055 0.000 0.925 314 T N 1.673 116.214 114.554 -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 0.221 62.340 62.100 0.033 0.000 1.119 314 T CB 0.152 69.065 68.868 0.074 0.000 0.891 314 T HN 0.262 nan 8.240 nan 0.000 0.526 315 S N 2.788 118.559 115.700 0.117 0.000 2.530 315 S HA 0.462 4.932 4.470 0.000 0.000 0.322 315 S C 0.406 175.248 174.600 0.404 0.000 1.085 315 S CA -0.858 57.466 58.200 0.206 0.000 1.096 315 S CB 0.739 64.059 63.200 0.201 0.000 0.988 315 S HN 0.778 nan 8.310 nan 0.000 0.466 316 T N 2.532 117.202 114.554 0.194 0.000 2.882 316 T HA 0.671 5.021 4.350 0.000 0.000 0.287 316 T C -0.016 174.476 174.700 -0.346 0.000 1.014 316 T CA -0.770 61.346 62.100 0.026 0.000 1.049 316 T CB 1.150 70.016 68.868 -0.003 0.000 1.001 316 T HN 0.627 nan 8.240 nan 0.000 0.525 317 A N 1.720 124.189 122.820 -0.584 0.000 2.330 317 A HA 0.640 4.960 4.320 0.000 0.000 0.313 317 A C 0.122 177.524 177.584 -0.304 0.000 1.124 317 A CA -0.926 50.686 52.037 -0.710 0.000 0.774 317 A CB 0.755 18.997 19.000 -1.265 0.000 1.198 317 A HN 0.774 nan 8.150 nan 0.000 0.465 318 T N 1.337 115.785 114.554 -0.176 0.000 2.744 318 T HA 0.567 4.917 4.350 0.000 0.000 0.291 318 T C -0.285 174.380 174.700 -0.058 0.000 0.957 318 T CA -0.463 61.580 62.100 -0.096 0.000 1.002 318 T CB 1.107 69.940 68.868 -0.059 0.000 0.919 318 T HN 0.456 nan 8.240 nan 0.000 0.468 319 V N 2.840 122.712 119.914 -0.070 0.000 2.789 319 V HA 0.538 4.658 4.120 0.000 0.000 0.311 319 V C -0.041 176.032 176.094 -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 0.994 nan 8.190 nan 0.000 0.426 320 T N 3.946 118.500 114.554 -0.000 0.000 2.770 320 T HA 0.640 4.990 4.350 0.000 0.000 0.283 320 T C -0.495 174.228 174.700 0.037 0.000 0.988 320 T CA -0.270 61.844 62.100 0.025 0.000 0.957 320 T CB 1.317 70.201 68.868 0.027 0.000 0.930 320 T HN 0.393 nan 8.240 nan 0.000 0.443 321 V N 3.212 123.177 119.914 0.086 0.000 2.715 321 V HA 0.703 4.823 4.120 0.000 0.000 0.310 321 V C 0.119 176.312 176.094 0.165 0.000 1.054 321 V CA -0.812 61.552 62.300 0.107 0.000 0.928 321 V CB 2.175 34.049 31.823 0.085 0.000 1.007 321 V HN 0.895 nan 8.190 nan 0.000 0.437 322 T N 2.390 117.015 114.554 0.117 0.000 2.879 322 T HA 0.472 4.822 4.350 0.000 0.000 0.290 322 T C -0.573 174.172 174.700 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 4.018 123.972 119.914 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 -0.706 61.581 62.300 -0.020 0.000 0.899 323 V CB 0.377 32.125 31.823 -0.124 0.000 1.006 323 V HN 0.828 nan 8.190 nan 0.000 0.470 324 E N 2.686 122.864 120.200 -0.037 0.000 2.392 324 E HA 0.194 4.544 4.350 0.000 0.000 0.259 324 E C -0.669 175.900 176.600 -0.052 0.000 1.108 324 E CA -0.325 56.055 56.400 -0.034 0.000 0.916 324 E CB 0.737 30.413 29.700 -0.039 0.000 0.989 324 E HN 0.684 nan 8.360 nan 0.000 0.432 325 D N 0.774 121.153 120.400 -0.035 0.000 2.185 325 D HA 0.333 4.973 4.640 0.000 0.000 0.247 325 D C -1.675 174.601 176.300 -0.041 0.000 1.027 325 D CA -0.545 53.434 54.000 -0.034 0.000 0.861 325 D CB 1.645 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 3.643 123.530 119.914 -0.045 0.000 2.769 326 V HA 0.529 4.649 4.120 0.000 0.000 0.312 326 V C -1.181 174.896 176.094 -0.029 0.000 1.061 326 V CA -0.796 61.476 62.300 -0.046 0.000 0.931 326 V CB 1.981 33.766 31.823 -0.062 0.000 1.010 326 V HN 0.640 nan 8.190 nan 0.000 0.433 327 N N 3.944 122.628 118.700 -0.027 0.000 2.424 327 N HA 0.426 5.166 4.740 0.000 0.000 0.271 327 N C -0.632 174.867 175.510 -0.018 0.000 0.985 327 N CA -0.283 52.757 53.050 -0.017 0.000 0.921 327 N CB 1.716 40.192 38.487 -0.019 0.000 1.149 327 N HN 0.793 nan 8.380 nan 0.000 0.492 328 E N 0.889 121.086 120.200 -0.004 0.000 2.250 328 E HA 0.639 4.989 4.350 0.000 0.000 0.265 328 E C -0.159 176.442 176.600 0.000 0.000 1.033 328 E CA -0.872 55.528 56.400 -0.002 0.000 0.888 328 E CB 0.795 30.503 29.700 0.014 0.000 1.151 328 E HN 0.626 nan 8.360 nan 0.000 0.412 329 A N 2.009 124.825 122.820 -0.006 0.000 2.507 329 A HA 0.312 4.632 4.320 0.000 0.000 0.235 329 A C -2.133 175.464 177.584 0.022 0.000 1.070 329 A CA -0.727 51.298 52.037 -0.021 0.000 0.768 329 A CB -0.502 18.477 19.000 -0.036 0.000 1.011 329 A HN 0.360 nan 8.150 nan 0.000 0.502 330 P HA 0.661 nan 4.420 nan 0.000 0.284 330 P C -0.903 176.360 177.300 -0.061 0.000 1.292 330 P CA -0.268 62.761 63.100 -0.117 0.000 0.800 330 P CB 0.497 32.062 31.700 -0.226 0.000 1.188 331 F N -2.924 116.926 119.950 -0.166 0.000 2.615 331 F HA 0.602 5.129 4.527 0.000 0.000 0.312 331 F C -1.077 174.657 175.800 -0.110 0.000 1.119 331 F CA -1.451 56.419 58.000 -0.217 0.000 0.979 331 F CB 0.261 39.202 39.000 -0.099 0.000 1.266 331 F HN 0.003 nan 8.300 nan 0.000 0.444 332 F N 1.565 121.623 119.950 0.179 0.000 2.490 332 F HA 0.388 4.915 4.527 0.000 0.000 0.336 332 F C 1.537 177.483 175.800 0.244 0.000 1.178 332 F CA -0.555 57.528 58.000 0.138 0.000 1.301 332 F CB 0.145 39.228 39.000 0.139 0.000 1.175 332 F HN 0.491 nan 8.300 nan 0.000 0.593 333 V N -0.738 119.404 119.914 0.380 0.000 2.251 333 V HA -0.034 4.086 4.120 0.000 0.000 0.230 333 V C -1.321 174.953 176.094 0.301 0.000 1.032 333 V CA 0.460 62.975 62.300 0.358 0.000 0.997 333 V CB -2.179 29.781 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 63.068 63.100 0.156 0.000 0.739 334 P CB 0.309 32.068 31.700 0.100 0.000 1.454 335 A N -0.173 122.712 122.820 0.109 0.000 2.702 335 A HA 0.492 4.812 4.320 0.000 0.000 0.305 335 A C -0.799 176.815 177.584 0.049 0.000 1.213 335 A CA -0.571 51.519 52.037 0.089 0.000 0.745 335 A CB 0.004 19.054 19.000 0.084 0.000 1.161 335 A HN 0.211 nan 8.150 nan 0.000 0.445 336 V N 1.337 121.268 119.914 0.027 0.000 2.439 336 V HA 0.306 4.426 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 0.959 32.781 31.823 -0.003 0.000 1.000 336 V HN 0.731 nan 8.190 nan 0.000 0.477 337 S N 4.547 120.264 115.700 0.028 0.000 3.158 337 S HA 0.384 4.854 4.470 0.000 0.000 0.215 337 S C 0.821 175.450 174.600 0.047 0.000 1.359 337 S CA -0.495 57.728 58.200 0.038 0.000 0.974 337 S CB -0.176 63.046 63.200 0.037 0.000 1.336 337 S HN 0.838 nan 8.310 nan 0.000 0.488 338 R N 1.935 122.462 120.500 0.046 0.000 2.009 338 R HA 0.261 4.601 4.340 0.000 0.000 0.206 338 R C 0.030 176.360 176.300 0.051 0.000 1.356 338 R CA 0.651 56.775 56.100 0.041 0.000 1.088 338 R CB -0.146 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 2.529 122.476 119.914 0.055 0.000 2.341 339 V HA 0.166 4.286 4.120 0.000 0.000 0.248 339 V C -1.207 174.930 176.094 0.072 0.000 1.107 339 V CA -0.375 61.956 62.300 0.052 0.000 1.069 339 V CB 0.318 32.167 31.823 0.042 0.000 1.177 339 V HN 0.174 nan 8.190 nan 0.000 0.492 340 D N 3.706 124.130 120.400 0.039 0.000 2.416 340 D HA 0.304 4.944 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 0.513 54.493 54.000 -0.034 0.000 0.967 340 D CB 1.282 41.986 40.800 -0.159 0.000 1.059 340 D HN 0.500 nan 8.370 nan 0.000 0.512 341 V N 1.808 121.717 119.914 -0.008 0.000 2.628 341 V HA 0.536 4.656 4.120 0.000 0.000 0.306 341 V C 0.041 176.118 176.094 -0.027 0.000 1.045 341 V CA -0.680 61.609 62.300 -0.019 0.000 0.905 341 V CB 2.014 33.837 31.823 -0.002 0.000 0.997 341 V HN 0.523 nan 8.190 nan 0.000 0.436 342 S N 3.348 119.021 115.700 -0.045 0.000 2.632 342 S HA 0.290 4.760 4.470 0.000 0.000 0.267 342 S C 0.951 175.510 174.600 -0.068 0.000 1.276 342 S CA 0.387 58.558 58.200 -0.049 0.000 0.998 342 S CB 1.197 64.367 63.200 -0.051 0.000 0.953 342 S HN 0.935 nan 8.310 nan 0.000 0.547 343 E N 0.206 120.362 120.200 -0.073 0.000 2.204 343 E HA -0.217 4.133 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 1.267 57.601 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 -0.021 53.933 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 1.240 122.407 121.223 -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 -0.215 54.575 54.840 -0.084 0.000 0.878 345 L CB 0.487 42.494 42.059 -0.086 0.000 1.127 345 L HN 0.163 nan 8.230 nan 0.000 0.492 346 S N 4.558 120.220 115.700 -0.063 0.000 2.430 346 S HA 0.131 4.601 4.470 0.000 0.000 0.282 346 S C 0.297 174.866 174.600 -0.052 0.000 1.186 346 S CA -0.781 57.387 58.200 -0.055 0.000 1.060 346 S CB 0.453 63.628 63.200 -0.041 0.000 0.966 346 S HN 0.635 nan 8.310 nan 0.000 0.501 347 R N 2.878 123.344 120.500 -0.057 0.000 3.501 347 R HA 0.177 4.517 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 1.114 57.186 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 2.846 111.631 108.800 -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 -0.704 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 0.364 120.550 120.200 -0.023 0.000 2.293 349 E HA 0.310 4.660 4.350 0.000 0.000 0.270 349 E C 0.063 176.650 176.600 -0.022 0.000 0.879 349 E CA -0.840 55.546 56.400 -0.024 0.000 0.756 349 E CB 1.488 31.170 29.700 -0.030 0.000 1.208 349 E HN 0.344 nan 8.360 nan 0.000 0.428 350 K N 2.898 123.284 120.400 -0.023 0.000 2.402 350 K HA 0.064 4.384 4.320 0.000 0.000 0.279 350 K C 0.844 177.432 176.600 -0.020 0.000 1.082 350 K CA 0.398 56.670 56.287 -0.024 0.000 1.080 350 K CB 0.511 32.996 32.500 -0.025 0.000 0.899 350 K HN 0.409 nan 8.250 nan 0.000 0.469 351 I N 2.980 123.540 120.570 -0.017 0.000 3.098 351 I HA 0.042 4.212 4.170 0.000 0.000 0.241 351 I C 0.841 176.950 176.117 -0.013 0.000 1.081 351 I CA 0.275 61.570 61.300 -0.008 0.000 1.487 351 I CB 0.364 38.369 38.000 0.009 0.000 1.366 351 I HN 0.509 nan 8.210 nan 0.000 0.463 352 I N -0.353 120.203 120.570 -0.023 0.000 2.493 352 I HA 0.345 4.515 4.170 0.000 0.000 0.279 352 I C -0.639 175.443 176.117 -0.058 0.000 1.045 352 I CA -0.675 60.604 61.300 -0.035 0.000 1.106 352 I CB 1.433 39.411 38.000 -0.036 0.000 1.216 352 I HN -0.051 nan 8.210 nan 0.000 0.459 353 S N 7.294 122.962 115.700 -0.054 0.000 2.405 353 S HA 0.610 5.080 4.470 0.000 0.000 0.291 353 S C -0.131 174.424 174.600 -0.074 0.000 1.137 353 S CA -0.720 57.438 58.200 -0.072 0.000 1.061 353 S CB 0.410 63.578 63.200 -0.053 0.000 1.001 353 S HN 0.574 nan 8.310 nan 0.000 0.507 354 L N 1.343 122.499 121.223 -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 0.546 42.542 42.059 -0.105 0.000 1.337 354 L HN 0.471 nan 8.230 nan 0.000 0.438 355 V N -3.112 116.813 119.914 0.018 0.000 3.049 355 V HA 1.061 5.181 4.120 0.000 0.000 0.309 355 V C -0.405 175.817 176.094 0.212 0.000 1.148 355 V CA -0.367 61.994 62.300 0.100 0.000 0.990 355 V CB 1.021 32.882 31.823 0.063 0.000 1.039 355 V HN 1.418 nan 8.190 nan 0.000 0.430 356 A N 1.984 124.962 122.820 0.263 0.000 2.423 356 A HA 0.924 5.244 4.320 0.000 0.000 0.304 356 A C -0.878 176.608 177.584 -0.163 0.000 1.104 356 A CA -0.798 51.308 52.037 0.115 0.000 0.757 356 A CB 2.175 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 0.576 120.015 119.800 -0.603 0.000 2.387 357 Q HA 0.399 4.739 4.340 0.000 0.000 0.273 357 Q C -1.742 173.709 176.000 -0.914 0.000 1.089 357 Q CA -0.567 54.806 55.803 -0.718 0.000 0.824 357 Q CB 2.772 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 1.978 122.137 120.400 -0.403 0.000 2.649 358 D HA 0.246 4.886 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 -1.768 52.123 54.000 -0.182 0.000 0.850 358 D CB 2.229 42.954 40.800 -0.125 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 0.935 64.115 63.100 0.133 0.000 0.938 359 P CB -0.364 31.422 31.700 0.143 0.000 0.777 360 D N 1.585 122.014 120.400 0.049 0.000 2.899 360 D HA -0.057 4.583 4.640 0.000 0.000 0.254 360 D C 0.670 176.985 176.300 0.027 0.000 1.320 360 D CA 0.543 54.564 54.000 0.035 0.000 0.929 360 D CB -0.493 40.318 40.800 0.018 0.000 1.148 360 D HN 0.180 nan 8.370 nan 0.000 0.571 361 K N 3.025 123.445 120.400 0.034 0.000 2.110 361 K HA -0.032 4.288 4.320 0.000 0.000 0.260 361 K C 0.151 176.763 176.600 0.021 0.000 1.126 361 K CA 0.123 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 0.606 nan 8.250 nan 0.000 0.369 362 Q N 2.683 122.491 119.800 0.014 0.000 1.752 362 Q HA -0.033 4.307 4.340 0.000 0.000 0.169 362 Q C -0.568 175.434 176.000 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 1.731 121.533 119.800 0.004 0.000 2.851 363 Q HA -0.065 4.274 4.340 0.000 0.000 0.319 363 Q C -0.297 175.702 176.000 -0.002 0.000 1.225 363 Q CA 1.046 56.847 55.803 -0.003 0.000 1.110 363 Q CB -0.563 28.174 28.738 -0.002 0.000 1.128 363 Q HN 0.466 nan 8.270 nan 0.000 0.440 364 I N 0.874 121.441 120.570 -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 60.961 61.300 -0.004 0.000 0.785 364 I CB 0.726 38.726 38.000 -0.001 0.000 1.738 364 I HN 0.330 nan 8.210 nan 0.000 0.561 365 Q N 2.062 121.854 119.800 -0.013 0.000 2.418 365 Q HA 0.547 4.887 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 1.439 30.161 28.738 -0.026 0.000 1.448 365 Q HN 0.469 nan 8.270 nan 0.000 0.439 366 K N 2.084 122.470 120.400 -0.025 0.000 2.288 366 K HA 0.786 5.106 4.320 0.000 0.000 0.234 366 K C -0.879 175.686 176.600 -0.058 0.000 1.037 366 K CA -0.800 55.465 56.287 -0.036 0.000 0.914 366 K CB 1.039 33.532 32.500 -0.010 0.000 1.197 366 K HN 0.644 nan 8.250 nan 0.000 0.471 367 L N -1.886 119.277 121.223 -0.101 0.000 2.230 367 L HA 0.708 5.048 4.340 0.000 0.000 0.255 367 L C -1.011 175.771 176.870 -0.146 0.000 1.039 367 L CA -0.767 53.984 54.840 -0.148 0.000 0.846 367 L CB 1.804 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 -1.523 114.131 115.700 -0.077 0.000 2.532 368 S HA 0.693 5.163 4.470 0.000 0.000 0.299 368 S C -1.289 173.426 174.600 0.192 0.000 1.105 368 S CA -0.547 57.717 58.200 0.106 0.000 1.018 368 S CB 0.616 64.053 63.200 0.396 0.000 1.021 368 S HN 0.455 nan 8.310 nan 0.000 0.483 369 Y N 2.045 122.491 120.300 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 57.528 58.100 0.279 0.000 1.196 369 Y CB 0.280 38.834 38.460 0.156 0.000 1.167 369 Y HN 0.586 nan 8.280 nan 0.000 0.509 370 F N 2.891 122.970 119.950 0.216 0.000 2.546 370 F HA 0.526 5.053 4.527 0.000 0.000 0.320 370 F C -0.213 175.673 175.800 0.144 0.000 1.076 370 F CA -1.309 56.775 58.000 0.140 0.000 0.928 370 F CB 0.981 40.035 39.000 0.089 0.000 1.189 370 F HN 0.218 nan 8.300 nan 0.000 0.465 371 I N 0.352 121.071 120.570 0.250 0.000 3.514 371 I HA 0.703 4.873 4.170 0.000 0.000 0.300 371 I C 1.077 177.288 176.117 0.156 0.000 1.194 371 I CA -0.304 61.092 61.300 0.160 0.000 0.968 371 I CB 1.241 39.287 38.000 0.077 0.000 1.418 371 I HN 0.691 nan 8.210 nan 0.000 0.614 372 G N 0.510 109.364 108.800 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 0.416 175.327 174.900 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 0.975 119.673 118.700 -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 1.023 54.046 53.050 -0.044 0.000 0.896 373 N CB 0.412 38.858 38.487 -0.069 0.000 1.129 373 N HN 0.403 nan 8.380 nan 0.000 0.490 374 D N -2.131 118.200 120.400 -0.115 0.000 2.738 374 D HA 0.147 4.787 4.640 0.000 0.000 0.345 374 D C -2.368 173.818 176.300 -0.189 0.000 1.465 374 D CA -0.377 53.540 54.000 -0.138 0.000 0.935 374 D CB -1.179 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 0.322 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 2.319 124.773 122.820 -0.611 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 0.019 51.758 52.037 -0.497 0.000 0.754 376 A CB -0.464 18.416 19.000 -0.199 0.000 0.968 376 A HN 0.627 nan 8.150 nan 0.000 0.509 377 R N 1.738 122.037 120.500 -0.334 0.000 4.237 377 R HA -0.168 4.172 4.340 0.000 0.000 0.171 377 R C -0.302 176.049 176.300 0.084 0.000 0.417 377 R CA 1.030 57.048 56.100 -0.137 0.000 0.895 377 R CB -0.222 30.071 30.300 -0.012 0.000 1.009 377 R HN 0.834 nan 8.270 nan 0.000 0.271 378 W N 4.069 125.344 121.300 -0.040 0.000 4.409 378 W HA 0.118 4.778 4.660 0.000 0.000 0.188 378 W C 0.508 177.010 176.519 -0.029 0.000 2.080 378 W CA -0.154 57.161 57.345 -0.049 0.000 2.369 378 W CB -1.221 28.190 29.460 -0.082 0.000 1.412 378 W HN 0.360 nan 8.180 nan 0.000 0.720 379 L N 1.899 123.307 121.223 0.309 0.000 2.516 379 L HA 0.468 4.808 4.340 0.000 0.000 0.288 379 L C -0.034 176.887 176.870 0.084 0.000 1.246 379 L CA 0.841 55.780 54.840 0.164 0.000 0.844 379 L CB -0.463 41.691 42.059 0.158 0.000 1.106 379 L HN -0.151 nan 8.230 nan 0.000 0.509 380 T N 0.610 115.194 114.554 0.049 0.000 3.012 380 T HA 0.505 4.855 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 61.465 62.100 0.019 0.000 1.067 380 T CB 1.907 70.783 68.868 0.014 0.000 1.235 380 T HN 0.717 nan 8.240 nan 0.000 0.479 381 V N 1.088 120.992 119.914 -0.017 0.000 2.547 381 V HA 0.723 4.843 4.120 0.000 0.000 0.299 381 V C 0.071 176.135 176.094 -0.050 0.000 1.040 381 V CA -0.936 61.343 62.300 -0.036 0.000 0.913 381 V CB 1.751 33.564 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 40.064 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 -0.019 0.000 2.217 383 K HA -0.019 4.301 4.320 0.000 0.000 0.202 383 K C -0.056 176.701 176.600 0.263 0.000 1.051 383 K CA 0.954 57.274 56.287 0.055 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 -0.139 120.353 120.400 0.154 0.000 2.358 384 D HA 0.009 4.649 4.640 0.000 0.000 0.224 384 D C 0.229 176.641 176.300 0.187 0.000 1.123 384 D CA 0.326 54.438 54.000 0.186 0.000 0.833 384 D CB 0.181 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 -0.072 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 2.458 110.742 108.800 -0.860 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 45.060 45.100 -1.096 0.000 1.289 386 G HN 0.383 nan 8.290 nan 0.000 0.403 387 I N 0.679 121.093 120.570 -0.260 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 2.129 40.062 38.000 -0.110 0.000 1.242 387 I HN -0.031 nan 8.210 nan 0.000 0.439 388 V N 5.084 124.944 119.914 -0.090 0.000 2.348 388 V HA 0.335 4.455 4.120 0.000 0.000 0.270 388 V C 0.666 176.742 176.094 -0.029 0.000 1.037 388 V CA -0.338 61.930 62.300 -0.053 0.000 0.872 388 V CB 0.976 32.768 31.823 -0.051 0.000 1.002 388 V HN 0.889 nan 8.190 nan 0.000 0.464 389 T N 1.649 116.194 114.554 -0.016 0.000 2.937 389 T HA 0.758 5.108 4.350 0.000 0.000 0.283 389 T C 0.214 174.922 174.700 0.014 0.000 1.012 389 T CA -0.412 61.683 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 -0.742 174.158 174.900 0.000 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 0.576 176.087 175.510 0.003 0.000 1.182 391 N CA 0.211 53.271 53.050 0.017 0.000 0.969 391 N CB 1.747 40.258 38.487 0.040 0.000 1.201 391 N HN 0.861 nan 8.380 nan 0.000 0.523 392 G N 0.537 109.320 108.800 -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 -1.026 173.750 174.900 -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 0.011 175.222 175.510 -0.500 0.000 1.027 393 N CA -0.728 52.161 53.050 -0.268 0.000 0.918 393 N CB 0.718 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 -0.681 175.971 176.870 -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 -0.864 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 -0.274 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 0.834 41.599 40.800 -0.057 0.000 1.530 395 D HN 0.452 nan 8.370 nan 0.000 0.514 396 R N 1.466 121.944 120.500 -0.037 0.000 2.133 396 R HA -0.214 4.126 4.340 0.000 0.000 0.247 396 R C 0.935 177.263 176.300 0.046 0.000 1.151 396 R CA 1.622 57.734 56.100 0.021 0.000 0.971 396 R CB 0.227 30.543 30.300 0.027 0.000 0.866 396 R HN 0.280 nan 8.270 nan 0.000 0.447 397 E N -0.677 119.540 120.200 0.029 0.000 2.333 397 E HA -0.133 4.217 4.350 0.000 0.000 0.200 397 E C 1.268 177.899 176.600 0.051 0.000 1.010 397 E CA 1.358 57.780 56.400 0.037 0.000 0.841 397 E CB 0.092 29.807 29.700 0.024 0.000 0.757 397 E HN 0.232 nan 8.360 nan 0.000 0.508 398 S N -2.502 113.241 115.700 0.073 0.000 2.597 398 S HA 0.087 4.557 4.470 0.000 0.000 0.275 398 S C 1.278 175.922 174.600 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 63.341 63.200 0.047 0.000 0.988 398 S HN 0.216 nan 8.310 nan 0.000 0.490 399 E N -0.825 119.446 120.200 0.118 0.000 2.357 399 E HA 0.212 4.562 4.350 0.000 0.000 0.202 399 E C 1.078 177.662 176.600 -0.027 0.000 0.855 399 E CA 0.122 56.522 56.400 -0.000 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 1.070 121.439 120.300 0.116 0.000 2.231 400 Y HA 0.115 4.665 4.550 0.000 0.000 0.294 400 Y C 0.801 176.800 175.900 0.165 0.000 1.120 400 Y CA 0.389 58.575 58.100 0.144 0.000 1.141 400 Y CB 0.096 38.682 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 0.565 176.761 176.094 0.169 0.000 1.033 401 V CA 0.546 63.010 62.300 0.275 0.000 1.194 401 V CB 0.077 32.032 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 0.179 4.499 4.320 0.000 0.000 0.224 402 K C 0.880 177.515 176.600 0.059 0.000 1.089 402 K CA -0.387 55.950 56.287 0.082 0.000 1.162 402 K CB -0.033 32.508 32.500 0.067 0.000 1.585 402 K HN 0.596 nan 8.250 nan 0.000 0.466 403 N N 1.312 120.036 118.700 0.041 0.000 2.328 403 N HA -0.065 4.675 4.740 0.000 0.000 0.277 403 N C 0.322 175.846 175.510 0.023 0.000 1.286 403 N CA 0.281 53.344 53.050 0.021 0.000 0.949 403 N CB 0.137 38.625 38.487 0.001 0.000 1.136 403 N HN 0.131 nan 8.380 nan 0.000 0.550 404 N N -1.279 117.415 118.700 -0.009 0.000 2.760 404 N HA -0.120 4.620 4.740 0.000 0.000 0.200 404 N C 0.050 175.546 175.510 -0.024 0.000 1.306 404 N CA 0.414 53.451 53.050 -0.022 0.000 0.957 404 N CB -0.062 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 -1.829 112.737 114.554 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 -0.323 61.820 62.100 0.071 0.000 0.949 405 T CB 0.816 69.700 68.868 0.028 0.000 1.075 405 T HN 0.140 nan 8.240 nan 0.000 0.537 406 Y N 0.712 121.046 120.300 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 39.210 38.460 0.161 0.000 1.272 406 Y HN 1.009 nan 8.280 nan 0.000 0.394 407 T N 3.117 117.366 114.554 -0.508 0.000 2.823 407 T HA 0.881 5.231 4.350 0.000 0.000 0.279 407 T C -0.861 173.533 174.700 -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 2.982 122.713 119.914 -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 2.001 33.711 31.823 -0.189 0.000 1.021 408 V HN 0.908 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 -0.269 175.860 176.117 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 0.014 0.000 1.268 409 I HN 0.466 nan 8.210 nan 0.000 0.440 410 M N 4.442 124.091 119.600 0.081 0.000 2.704 410 M HA 0.641 5.121 4.480 0.000 0.000 0.284 410 M C -1.243 175.325 176.300 0.448 0.000 1.275 410 M CA -0.782 54.611 55.300 0.154 0.000 0.811 410 M CB 2.638 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 0.401 121.919 121.223 0.491 0.000 2.257 411 L HA 0.952 5.292 4.340 0.000 0.000 0.257 411 L C -1.204 175.958 176.870 0.487 0.000 1.033 411 L CA -1.131 53.985 54.840 0.460 0.000 0.835 411 L CB 2.556 44.717 42.059 0.170 0.000 1.398 411 L HN 0.539 nan 8.230 nan 0.000 0.429 412 V N -0.406 119.564 119.914 0.094 0.000 3.000 412 V HA 0.523 4.643 4.120 0.000 0.000 0.300 412 V C -1.317 174.676 176.094 -0.167 0.000 1.251 412 V CA -0.080 62.211 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 -1.096 173.511 174.700 -0.155 0.000 0.993 413 T CA -0.314 61.674 62.100 -0.187 0.000 0.967 413 T CB 1.228 69.945 68.868 -0.251 0.000 0.960 413 T HN 0.981 nan 8.240 nan 0.000 0.441 414 D N 4.108 124.426 120.400 -0.137 0.000 2.374 414 D HA 0.249 4.889 4.640 0.000 0.000 0.240 414 D C 0.025 176.277 176.300 -0.081 0.000 1.229 414 D CA 0.094 54.030 54.000 -0.106 0.000 0.895 414 D CB 0.367 41.114 40.800 -0.090 0.000 1.046 414 D HN 0.528 nan 8.370 nan 0.000 0.498 415 D N 1.808 122.169 120.400 -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 53.965 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 -1.004 107.783 108.800 -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 0.870 175.760 174.900 -0.016 0.000 1.177 416 G CA 1.219 46.310 45.100 -0.016 0.000 0.695 416 G HN 1.183 nan 8.290 nan 0.000 0.517 417 V N -4.477 115.425 119.914 -0.021 0.000 3.309 417 V HA 0.728 4.848 4.120 0.000 0.000 0.268 417 V C 0.936 177.016 176.094 -0.024 0.000 1.631 417 V CA 1.535 63.823 62.300 -0.020 0.000 1.018 417 V CB 0.420 32.233 31.823 -0.017 0.000 0.841 417 V HN 1.222 nan 8.190 nan 0.000 0.418 418 S N -1.160 114.522 115.700 -0.031 0.000 5.830 418 S HA 0.642 5.112 4.470 0.000 0.000 0.119 418 S C -0.489 174.085 174.600 -0.044 0.000 1.116 418 S CA 0.898 59.077 58.200 -0.035 0.000 1.371 418 S CB 1.262 64.442 63.200 -0.034 0.000 2.079 418 S HN 0.405 nan 8.310 nan 0.000 0.649 419 V N 0.027 119.910 119.914 -0.051 0.000 3.242 419 V HA 0.765 4.885 4.120 0.000 0.000 0.298 419 V C -0.669 175.381 176.094 -0.073 0.000 1.352 419 V CA 0.156 62.418 62.300 -0.063 0.000 1.052 419 V CB 1.661 33.449 31.823 -0.060 0.000 1.101 419 V HN 1.008 nan 8.190 nan 0.000 0.446 420 G N 0.629 109.375 108.800 -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 0.767 5.117 4.350 0.000 0.000 0.305 421 T C -0.104 174.505 174.700 -0.153 0.000 1.119 421 T CA -0.014 62.005 62.100 -0.134 0.000 1.008 421 T CB 2.155 70.960 68.868 -0.104 0.000 1.129 421 T HN 1.530 nan 8.240 nan 0.000 0.480 422 G N 1.696 110.367 108.800 -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 -0.507 174.217 174.900 -0.294 0.000 1.546 422 G CA -0.626 44.269 45.100 -0.341 0.000 1.089 422 G HN 0.647 nan 8.290 nan 0.000 0.558 423 T N 1.075 115.582 114.554 -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 61.830 62.100 0.095 0.000 0.997 423 T CB 1.766 70.671 68.868 0.062 0.000 0.917 423 T HN 0.679 nan 8.240 nan 0.000 0.487 424 G N 2.499 111.631 108.800 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 -0.221 174.811 174.900 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 2.209 116.834 114.554 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 -0.501 61.617 62.100 0.031 0.000 1.049 425 T CB 1.627 70.508 68.868 0.021 0.000 1.001 425 T HN 0.453 nan 8.240 nan 0.000 0.525 426 L N 3.260 124.457 121.223 -0.043 0.000 2.541 426 L HA 0.555 4.895 4.340 0.000 0.000 0.266 426 L C -1.292 175.552 176.870 -0.042 0.000 0.966 426 L CA -0.709 54.102 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 6.996 127.556 120.570 -0.015 0.000 2.359 427 I HA 0.454 4.624 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 -0.782 60.517 61.300 -0.002 0.000 1.225 427 I CB 1.473 39.470 38.000 -0.005 0.000 1.366 427 I HN 0.715 nan 8.210 nan 0.000 0.466 428 L N 6.010 127.291 121.223 0.097 0.000 2.376 428 L HA 0.505 4.845 4.340 0.000 0.000 0.275 428 L C -0.845 176.142 176.870 0.194 0.000 0.987 428 L CA -0.760 54.167 54.840 0.145 0.000 0.828 428 L CB 1.448 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 4.147 123.263 119.070 0.075 0.000 3.145 429 H HA 0.274 4.830 4.556 0.000 0.000 0.263 429 H C -0.554 174.813 175.328 0.065 0.000 1.057 429 H CA 0.217 56.306 56.048 0.068 0.000 1.477 429 H CB 0.842 30.631 29.762 0.044 0.000 1.529 429 H HN 0.581 nan 8.280 nan 0.000 0.508 430 V N 6.610 126.751 119.914 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 -0.555 61.882 62.300 0.228 0.000 1.073 430 V CB 1.496 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 0.854 122.129 121.223 0.086 0.000 2.283 431 L HA 0.583 4.923 4.340 0.000 0.000 0.259 431 L C -0.982 175.902 176.870 0.023 0.000 1.027 431 L CA -0.683 54.180 54.840 0.038 0.000 0.828 431 L CB 2.372 44.407 42.059 -0.041 0.000 1.380 431 L HN 0.622 nan 8.230 nan 0.000 0.425 432 D N 0.132 120.543 120.400 0.017 0.000 2.163 432 D HA 0.578 5.218 4.640 0.000 0.000 0.248 432 D C -1.217 175.079 176.300 -0.006 0.000 1.035 432 D CA -0.116 53.891 54.000 0.011 0.000 0.872 432 D CB 1.788 42.604 40.800 0.025 0.000 1.183 432 D HN 0.157 nan 8.370 nan 0.000 0.445 433 V N 2.094 122.004 119.914 -0.008 0.000 2.914 433 V HA 0.481 4.601 4.120 0.000 0.000 0.314 433 V C -0.160 175.930 176.094 -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 33.563 31.823 -0.025 0.000 1.025 433 V HN 0.538 nan 8.190 nan 0.000 0.432 434 N N 1.297 119.992 118.700 -0.008 0.000 2.645 434 N HA 0.261 5.001 4.740 0.000 0.000 0.233 434 N C 0.092 175.600 175.510 -0.003 0.000 1.058 434 N CA -0.121 52.928 53.050 -0.002 0.000 0.942 434 N CB 0.562 39.046 38.487 -0.005 0.000 1.210 434 N HN 0.764 nan 8.380 nan 0.000 0.512 435 D N 1.227 121.627 120.400 -0.000 0.000 2.119 435 D HA -0.012 4.628 4.640 0.000 0.000 0.231 435 D C 0.177 176.481 176.300 0.006 0.000 0.999 435 D CA 0.834 54.833 54.000 -0.002 0.000 0.915 435 D CB -0.129 40.670 40.800 -0.003 0.000 1.017 435 D HN 0.538 nan 8.370 nan 0.000 0.437 436 N N -0.205 118.503 118.700 0.013 0.000 2.207 436 N HA 0.373 5.113 4.740 0.000 0.000 0.223 436 N C 0.184 175.712 175.510 0.030 0.000 1.339 436 N CA 0.373 53.436 53.050 0.021 0.000 0.889 436 N CB 0.213 38.716 38.487 0.025 0.000 1.128 436 N HN 0.305 nan 8.380 nan 0.000 0.456 437 G N -1.940 106.884 108.800 0.041 0.000 2.642 437 G HA2 0.531 4.491 3.960 0.000 0.000 0.293 437 G HA3 0.531 4.491 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 0.159 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 0.162 63.374 63.100 0.187 0.000 0.765 438 P CB 0.988 32.921 31.700 0.389 0.000 0.806 439 V N 3.474 123.403 119.914 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 60.379 62.300 -0.002 0.000 0.943 439 V CB 2.311 34.137 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 0.693 177.978 177.300 -0.025 0.000 1.216 440 P CA 0.082 63.161 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 4.544 120.228 115.700 -0.026 0.000 2.343 441 S HA 0.025 4.495 4.470 0.000 0.000 0.212 441 S C -1.290 173.311 174.600 0.001 0.000 1.033 441 S CA 0.660 58.849 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 -0.468 176.872 177.300 0.067 0.000 1.253 442 P CA -0.490 62.645 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 0.565 121.059 120.500 -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 0.105 56.138 56.100 -0.113 0.000 1.059 443 R CB 0.627 30.862 30.300 -0.107 0.000 1.086 443 R HN 0.280 nan 8.270 nan 0.000 0.522 444 V N 1.240 121.053 119.914 -0.168 0.000 2.668 444 V HA 0.367 4.487 4.120 0.000 0.000 0.304 444 V C -0.542 175.552 176.094 -0.000 0.000 1.071 444 V CA -0.910 61.235 62.300 -0.259 0.000 0.894 444 V CB 1.838 33.567 31.823 -0.157 0.000 1.008 444 V HN 0.012 nan 8.190 nan 0.000 0.425 445 F N 1.253 121.132 119.950 -0.118 0.000 2.452 445 F HA 0.722 5.249 4.527 0.000 0.000 0.353 445 F C 0.636 176.392 175.800 -0.073 0.000 1.089 445 F CA -0.940 57.004 58.000 -0.094 0.000 1.080 445 F CB 1.681 40.616 39.000 -0.109 0.000 1.399 445 F HN 0.310 nan 8.300 nan 0.000 0.492 446 T N 1.779 116.458 114.554 0.207 0.000 3.233 446 T HA 0.231 4.581 4.350 0.000 0.000 0.324 446 T C -0.392 174.367 174.700 0.098 0.000 0.992 446 T CA -0.535 61.626 62.100 0.102 0.000 1.414 446 T CB 0.312 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 1.137 120.812 119.600 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 55.087 55.300 0.116 0.000 1.099 447 M CB 0.999 33.712 32.600 0.188 0.000 1.430 447 M HN 0.542 nan 8.290 nan 0.000 0.481 448 c N 0.252 118.896 118.600 0.075 0.000 2.451 448 c HA 0.286 4.856 4.570 0.000 0.000 0.391 448 c C 1.449 175.578 174.090 0.065 0.000 1.286 448 c CA -0.322 56.042 56.329 0.059 0.000 1.935 448 c CB 1.551 44.084 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 -0.024 119.787 119.800 0.019 0.000 2.047 450 Q HA -0.164 4.176 4.340 0.000 0.000 0.211 450 Q C 0.223 176.228 176.000 0.009 0.000 1.005 450 Q CA 1.472 57.281 55.803 0.011 0.000 0.866 450 Q CB -0.479 28.264 28.738 0.009 0.000 0.938 450 Q HN 0.337 nan 8.270 nan 0.000 0.414 451 N N -0.421 118.287 118.700 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 -0.827 52.230 53.050 0.011 0.000 0.747 451 N CB 1.611 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 0.127 63.247 63.100 0.033 0.000 0.765 452 P CB 0.489 32.228 31.700 0.065 0.000 0.823 453 E N 4.282 124.485 120.200 0.005 0.000 2.318 453 E HA 0.434 4.784 4.350 0.000 0.000 0.265 453 E C -2.317 174.269 176.600 -0.022 0.000 1.069 453 E CA -2.571 53.824 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 -0.139 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 0.459 63.531 63.100 -0.048 0.000 0.758 454 P CB 0.294 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 -0.831 0.000 1.223 455 Q HN 0.179 nan 8.270 nan 0.000 0.459 456 V N 5.318 125.091 119.914 -0.236 0.000 2.655 456 V HA 0.214 4.334 4.120 0.000 0.000 0.300 456 V C 0.074 176.063 176.094 -0.175 0.000 1.044 456 V CA -0.133 62.069 62.300 -0.165 0.000 1.095 456 V CB 0.408 32.166 31.823 -0.110 0.000 0.952 456 V HN 0.749 nan 8.190 nan 0.000 0.485 457 L N 4.439 125.586 121.223 -0.127 0.000 2.465 457 L HA 0.852 5.192 4.340 0.000 0.000 0.257 457 L C -0.053 176.768 176.870 -0.082 0.000 0.988 457 L CA 0.112 54.901 54.840 -0.084 0.000 0.827 457 L CB 2.721 44.743 42.059 -0.062 0.000 1.397 457 L HN 0.919 nan 8.230 nan 0.000 0.410 458 T N 0.002 114.510 114.554 -0.077 0.000 2.742 458 T HA 0.809 5.159 4.350 0.000 0.000 0.282 458 T C -0.888 173.730 174.700 -0.136 0.000 1.025 458 T CA -0.675 61.361 62.100 -0.107 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 1.466 121.920 120.570 -0.194 0.000 2.689 459 I HA 0.670 4.840 4.170 0.000 0.000 0.299 459 I C -0.405 175.621 176.117 -0.152 0.000 1.059 459 I CA -0.524 60.630 61.300 -0.245 0.000 1.055 459 I CB 2.537 40.188 38.000 -0.582 0.000 1.243 459 I HN 0.996 nan 8.210 nan 0.000 0.425 460 S N 2.545 118.203 115.700 -0.069 0.000 2.548 460 S HA 0.665 5.135 4.470 0.000 0.000 0.276 460 S C -1.550 173.085 174.600 0.058 0.000 1.129 460 S CA -0.873 57.329 58.200 0.003 0.000 0.931 460 S CB 2.117 65.314 63.200 -0.004 0.000 1.068 460 S HN 0.548 nan 8.310 nan 0.000 0.480 461 D N 1.036 121.490 120.400 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 -0.593 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 2.944 125.794 122.820 0.049 0.000 2.208 462 A HA 0.032 4.352 4.320 0.000 0.000 0.209 462 A C 0.702 178.309 177.584 0.038 0.000 1.161 462 A CA 0.448 52.508 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 -0.411 175.915 176.300 0.042 0.000 1.170 463 D CA -0.121 53.902 54.000 0.037 0.000 0.977 463 D CB 1.003 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 0.443 121.036 120.570 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 1.328 39.355 38.000 0.045 0.000 1.362 464 I HN 0.013 nan 8.210 nan 0.000 0.471 465 P HA 0.133 nan 4.420 nan 0.000 0.266 465 P C -2.156 175.166 177.300 0.037 0.000 1.193 465 P CA -0.335 62.798 63.100 0.055 0.000 0.770 465 P CB -0.012 31.727 31.700 0.065 0.000 0.836 466 P HA -0.047 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 1.154 64.280 63.100 0.043 0.000 0.812 466 P CB -0.383 31.308 31.700 -0.015 0.000 0.792 467 N N -0.827 117.891 118.700 0.029 0.000 2.653 467 N HA -0.183 4.557 4.740 0.000 0.000 0.207 467 N C 0.664 176.182 175.510 0.012 0.000 1.074 467 N CA 1.535 54.595 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 -0.359 68.562 68.868 0.088 0.000 1.152 468 T HN 0.169 nan 8.240 nan 0.000 0.527 469 Y N 3.131 123.363 120.300 -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 -0.756 57.285 58.100 -0.099 0.000 1.514 469 Y CB -0.119 38.294 38.460 -0.079 0.000 1.363 469 Y HN 0.034 nan 8.280 nan 0.000 0.677 470 P HA -0.173 nan 4.420 nan 0.000 0.270 470 P C -1.359 175.677 177.300 -0.441 0.000 1.181 470 P CA 1.281 64.059 63.100 -0.537 0.000 0.767 470 P CB 0.121 31.422 31.700 -0.665 0.000 0.799 471 Y N 0.761 121.016 120.300 -0.076 0.000 2.518 471 Y HA 0.557 5.107 4.550 0.000 0.000 0.332 471 Y C 0.933 176.835 175.900 0.004 0.000 1.276 471 Y CA -0.076 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 0.752 121.278 120.400 0.209 0.000 2.690 472 K HA 0.388 4.708 4.320 0.000 0.000 0.264 472 K C -1.929 174.748 176.600 0.128 0.000 1.040 472 K CA -0.332 56.029 56.287 0.124 0.000 0.946 472 K CB 1.911 34.457 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 0.409 4.529 4.120 0.000 0.000 0.292 473 V C 0.059 176.195 176.094 0.072 0.000 1.055 473 V CA -0.204 62.143 62.300 0.078 0.000 1.023 473 V CB 1.577 33.432 31.823 0.053 0.000 0.992 473 V HN 0.723 nan 8.190 nan 0.000 0.480 474 S N 4.353 120.095 115.700 0.071 0.000 2.546 474 S HA 0.655 5.125 4.470 0.000 0.000 0.272 474 S C -0.971 173.679 174.600 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 2.355 123.636 121.223 0.096 0.000 2.318 475 L HA 0.468 4.808 4.340 0.000 0.000 0.277 475 L C 1.156 178.103 176.870 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 43.723 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 1.216 59.466 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 -0.632 118.378 119.070 -0.100 0.000 2.276 477 H HA 0.142 4.698 4.556 0.000 0.000 0.307 477 H C 1.286 176.662 175.328 0.081 0.000 1.061 477 H CA 0.551 56.563 56.048 -0.060 0.000 1.336 477 H CB -0.538 29.128 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 0.740 175.810 174.900 0.283 0.000 0.764 478 G CA 0.264 45.525 45.100 0.268 0.000 2.029 478 G HN 0.424 nan 8.290 nan 0.000 0.587 479 S N -0.305 115.503 115.700 0.181 0.000 2.593 479 S HA 0.155 4.625 4.470 0.000 0.000 0.217 479 S C 0.230 174.921 174.600 0.151 0.000 0.966 479 S CA -0.235 58.068 58.200 0.171 0.000 0.914 479 S CB 0.565 63.834 63.200 0.115 0.000 0.776 479 S HN 0.233 nan 8.310 nan 0.000 0.523 480 D N 0.003 120.482 120.400 0.132 0.000 2.491 480 D HA 0.342 4.982 4.640 0.000 0.000 0.232 480 D C -1.022 175.291 176.300 0.022 0.000 1.334 480 D CA -0.113 53.922 54.000 0.057 0.000 0.909 480 D CB 1.041 41.852 40.800 0.018 0.000 1.513 480 D HN 0.192 nan 8.370 nan 0.000 0.514 481 L N 0.982 122.203 121.223 -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 -0.355 0.000 1.275 481 L CA 0.351 55.150 54.840 -0.069 0.000 1.092 481 L CB 0.412 42.556 42.059 0.140 0.000 1.465 481 L HN 0.350 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 -0.987 173.267 174.700 -0.744 0.000 0.963 482 T CA 1.334 63.191 62.100 -0.406 0.000 3.590 482 T CB -1.169 67.456 68.868 -0.404 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 -0.279 176.279 176.519 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 0.552 nan 8.180 nan 0.000 0.506 484 K N 2.315 122.914 120.400 0.332 0.000 2.541 484 K HA 0.778 5.098 4.320 0.000 0.000 0.250 484 K C -0.353 176.340 176.600 0.155 0.000 0.950 484 K CA -0.568 55.833 56.287 0.189 0.000 0.805 484 K CB 1.510 34.081 32.500 0.118 0.000 1.166 484 K HN 0.535 nan 8.250 nan 0.000 0.430 485 A N 3.625 126.517 122.820 0.120 0.000 2.407 485 A HA 0.404 4.724 4.320 0.000 0.000 0.248 485 A C -0.612 177.002 177.584 0.051 0.000 1.082 485 A CA 0.219 52.303 52.037 0.078 0.000 0.785 485 A CB 0.423 19.467 19.000 0.074 0.000 1.020 485 A HN 0.760 nan 8.150 nan 0.000 0.489 486 E N 0.526 120.743 120.200 0.028 0.000 2.388 486 E HA 0.334 4.684 4.350 0.000 0.000 0.282 486 E C -1.671 174.926 176.600 -0.005 0.000 1.026 486 E CA -0.452 55.956 56.400 0.015 0.000 0.820 486 E CB 1.346 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 1.156 122.377 121.223 -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 -0.867 53.962 54.840 -0.018 0.000 0.812 487 L CB 1.230 43.287 42.059 -0.004 0.000 1.257 487 L HN 0.440 nan 8.230 nan 0.000 0.435 488 D N 0.528 120.908 120.400 -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 0.139 54.121 54.000 -0.030 0.000 0.907 488 D CB 1.668 42.443 40.800 -0.041 0.000 1.195 488 D HN 0.664 nan 8.370 nan 0.000 0.429 489 S N 2.908 118.599 115.700 -0.015 0.000 2.345 489 S HA -0.229 4.241 4.470 0.000 0.000 0.220 489 S C 1.377 175.970 174.600 -0.012 0.000 1.031 489 S CA 0.925 59.120 58.200 -0.009 0.000 0.996 489 S CB -0.258 62.939 63.200 -0.005 0.000 0.882 489 S HN 0.620 nan 8.310 nan 0.000 0.445 490 K N 2.053 122.443 120.400 -0.015 0.000 3.358 490 K HA 0.268 4.588 4.320 0.000 0.000 0.297 490 K C 1.295 177.879 176.600 -0.026 0.000 1.064 490 K CA 0.537 56.814 56.287 -0.016 0.000 1.144 490 K CB -1.262 31.232 32.500 -0.010 0.000 1.289 490 K HN 0.538 nan 8.250 nan 0.000 0.372 491 G N 0.627 109.409 108.800 -0.031 0.000 5.260 491 G HA2 -0.538 3.422 3.960 0.000 0.000 0.276 491 G HA3 -0.538 3.422 3.960 0.000 0.000 0.276 491 G C 1.043 175.905 174.900 -0.063 0.000 1.357 491 G CA 1.021 46.097 45.100 -0.039 0.000 1.008 491 G HN 0.486 nan 8.290 nan 0.000 0.777 492 T N 1.278 115.789 114.554 -0.073 0.000 2.685 492 T HA -0.010 4.340 4.350 0.000 0.000 0.268 492 T C 1.701 176.308 174.700 -0.156 0.000 1.034 492 T CA 2.891 64.918 62.100 -0.122 0.000 1.149 492 T CB -0.672 68.146 68.868 -0.082 0.000 0.860 492 T HN 1.870 nan 8.240 nan 0.000 0.449 493 S N 0.747 116.381 115.700 -0.110 0.000 2.713 493 S HA 0.670 5.140 4.470 0.000 0.000 0.283 493 S C -0.211 174.328 174.600 -0.101 0.000 1.161 493 S CA -1.013 57.122 58.200 -0.108 0.000 0.999 493 S CB 1.289 64.441 63.200 -0.080 0.000 1.039 493 S HN 0.665 nan 8.310 nan 0.000 0.548 494 M N 0.584 120.128 119.600 -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 54.428 55.300 -0.070 0.000 0.901 494 M CB 1.468 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 3.785 124.983 121.223 -0.041 0.000 2.255 495 L HA 0.500 4.840 4.340 0.000 0.000 0.289 495 L C -1.041 175.820 176.870 -0.015 0.000 1.046 495 L CA -0.718 54.099 54.840 -0.038 0.000 0.816 495 L CB 1.088 43.135 42.059 -0.021 0.000 1.197 495 L HN 0.628 nan 8.230 nan 0.000 0.427 496 L N 3.405 124.602 121.223 -0.043 0.000 2.265 496 L HA 0.507 4.847 4.340 0.000 0.000 0.289 496 L C -0.344 176.581 176.870 0.093 0.000 1.033 496 L CA 0.511 55.358 54.840 0.012 0.000 0.814 496 L CB 1.317 43.326 42.059 -0.083 0.000 1.203 496 L HN 0.549 nan 8.230 nan 0.000 0.423 497 S N 5.499 121.327 115.700 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 2.052 65.315 63.200 0.105 0.000 1.068 497 S HN 0.335 nan 8.310 nan 0.000 0.480 498 P HA 0.277 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 0.164 63.133 63.100 -0.219 0.000 0.757 498 P CB 0.438 31.896 31.700 -0.404 0.000 1.377 499 T N -3.831 110.611 114.554 -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 -0.038 61.998 62.100 -0.106 0.000 0.901 499 T CB -0.285 68.547 68.868 -0.060 0.000 1.215 499 T HN 0.142 nan 8.240 nan 0.000 0.677 500 Q N 0.909 120.596 119.800 -0.188 0.000 2.399 500 Q HA 0.378 4.718 4.340 0.000 0.000 0.276 500 Q C -0.242 175.668 176.000 -0.149 0.000 1.098 500 Q CA -0.577 55.127 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 1.376 121.112 119.800 -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 -0.128 55.630 55.803 -0.074 0.000 0.949 501 Q CB 0.109 28.817 28.738 -0.050 0.000 1.035 501 Q HN 0.560 nan 8.270 nan 0.000 0.484 502 L N 1.994 123.147 121.223 -0.117 0.000 2.587 502 L HA -0.190 4.150 4.340 0.000 0.000 0.315 502 L C 0.693 177.536 176.870 -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 1.894 122.252 120.400 -0.069 0.000 2.505 503 K HA -0.087 4.233 4.320 0.000 0.000 0.272 503 K C 0.035 176.688 176.600 0.089 0.000 0.963 503 K CA 0.041 56.320 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 2.163 122.606 120.400 0.072 0.000 2.021 504 K HA 0.027 4.347 4.320 0.000 0.000 0.238 504 K C 0.506 177.183 176.600 0.128 0.000 1.149 504 K CA 0.620 56.962 56.287 0.091 0.000 1.105 504 K CB -1.040 31.492 32.500 0.054 0.000 1.246 504 K HN 0.859 nan 8.250 nan 0.000 0.307 505 G N 3.074 111.990 108.800 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 -0.735 174.314 174.900 0.247 0.000 1.461 505 G CA -0.355 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 -1.520 118.953 120.400 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 -1.776 39.065 40.800 0.068 0.000 0.820 506 D HN 2.237 nan 8.370 nan 0.000 0.393 507 Y N -1.658 118.639 120.300 -0.005 0.000 2.522 507 Y HA 0.491 5.041 4.550 0.000 0.000 0.326 507 Y C -0.608 175.255 175.900 -0.062 0.000 1.198 507 Y CA -0.628 57.472 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 4.091 119.771 115.700 -0.034 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 0.405 120.737 120.570 -0.396 0.000 2.534 509 I HA 0.394 4.564 4.170 0.000 0.000 0.286 509 I C -1.969 173.989 176.117 -0.265 0.000 1.094 509 I CA -0.995 60.078 61.300 -0.377 0.000 1.055 509 I CB 1.017 38.556 38.000 -0.768 0.000 1.225 509 I HN 0.705 nan 8.210 nan 0.000 0.435 510 Y N 6.378 126.648 120.300 -0.050 0.000 2.436 510 Y HA 0.350 4.900 4.550 0.000 0.000 0.336 510 Y C 0.356 176.244 175.900 -0.019 0.000 1.049 510 Y CA 0.023 58.113 58.100 -0.017 0.000 1.294 510 Y CB 1.005 39.489 38.460 0.040 0.000 1.179 510 Y HN 0.273 nan 8.280 nan 0.000 0.520 511 V N 5.015 124.991 119.914 0.103 0.000 2.850 511 V HA 0.580 4.700 4.120 0.000 0.000 0.315 511 V C -0.721 175.421 176.094 0.081 0.000 1.064 511 V CA -1.013 61.325 62.300 0.063 0.000 0.979 511 V CB 1.871 33.699 31.823 0.009 0.000 1.039 511 V HN 0.493 nan 8.190 nan 0.000 0.452 512 L N 3.889 125.154 121.223 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 1.050 43.149 42.059 0.067 0.000 1.294 512 L HN 0.579 nan 8.230 nan 0.000 0.412 513 L N 2.608 123.882 121.223 0.085 0.000 2.293 513 L HA 0.938 5.278 4.340 0.000 0.000 0.264 513 L C -0.134 176.810 176.870 0.124 0.000 1.029 513 L CA -0.879 54.039 54.840 0.130 0.000 0.897 513 L CB 2.073 44.239 42.059 0.178 0.000 1.497 513 L HN 0.744 nan 8.230 nan 0.000 0.495 514 S N -1.347 114.449 115.700 0.161 0.000 2.565 514 S HA 0.266 4.736 4.470 0.000 0.000 0.274 514 S C -0.978 173.574 174.600 -0.080 0.000 1.144 514 S CA -0.660 57.574 58.200 0.056 0.000 0.849 514 S CB 2.027 65.247 63.200 0.034 0.000 1.103 514 S HN 0.829 nan 8.310 nan 0.000 0.455 515 D N -0.599 119.710 120.400 -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 0.414 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 -1.101 121.674 122.820 -0.076 0.000 2.295 516 A HA 0.512 4.832 4.320 0.000 0.000 0.193 516 A C 1.303 178.869 177.584 -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 -2.935 116.845 119.800 -0.033 0.000 7.952 517 Q HA -0.107 4.233 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 -0.755 27.979 28.738 -0.006 0.000 0.157 517 Q HN 0.238 nan 8.270 nan 0.000 0.899 518 N N 0.940 119.637 118.700 -0.005 0.000 2.677 518 N HA -0.355 4.385 4.740 0.000 0.000 0.230 518 N C 0.015 175.533 175.510 0.014 0.000 1.021 518 N CA 2.078 55.130 53.050 0.003 0.000 1.156 518 N CB -0.700 37.789 38.487 0.003 0.000 1.117 518 N HN 0.628 nan 8.380 nan 0.000 0.614 519 N N -3.084 115.629 118.700 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 0.514 53.583 53.050 0.031 0.000 0.966 519 N CB -0.931 37.569 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 -0.544 176.789 177.300 0.055 0.000 1.175 520 P CA 0.940 64.070 63.100 0.050 0.000 0.761 520 P CB 0.352 32.081 31.700 0.049 0.000 0.794 521 Q N 2.620 122.446 119.800 0.044 0.000 2.286 521 Q HA 0.151 4.491 4.340 0.000 0.000 0.265 521 Q C 0.216 176.244 176.000 0.048 0.000 1.080 521 Q CA 0.292 56.122 55.803 0.045 0.000 0.906 521 Q CB 0.487 29.245 28.738 0.034 0.000 1.227 521 Q HN 0.502 nan 8.270 nan 0.000 0.409 522 L N 1.118 122.375 121.223 0.058 0.000 2.756 522 L HA 0.537 4.877 4.340 0.000 0.000 0.220 522 L C 0.320 177.226 176.870 0.061 0.000 1.797 522 L CA -0.131 54.735 54.840 0.043 0.000 2.814 522 L CB 1.851 43.925 42.059 0.024 0.000 2.634 522 L HN 0.629 nan 8.230 nan 0.000 0.723 523 T N -1.538 113.036 114.554 0.033 0.000 2.640 523 T HA 0.245 4.595 4.350 0.000 0.000 0.268 523 T C -1.629 173.023 174.700 -0.081 0.000 1.406 523 T CA 0.064 62.183 62.100 0.032 0.000 1.078 523 T CB 0.493 69.362 68.868 0.002 0.000 1.923 523 T HN 0.265 nan 8.240 nan 0.000 0.431 524 V N 1.486 121.288 119.914 -0.187 0.000 2.530 524 V HA 0.792 4.912 4.120 0.000 0.000 0.282 524 V C -0.485 175.444 176.094 -0.275 0.000 1.048 524 V CA -0.420 61.682 62.300 -0.330 0.000 0.997 524 V CB 0.877 32.486 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 0.707 32.344 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 0.638 38.900 38.487 -0.375 0.000 1.106 526 N HN 0.814 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 0.401 4.721 4.320 0.000 0.000 0.280 527 A C -0.627 176.722 177.584 -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 19.062 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 0.138 174.849 174.700 0.017 0.000 0.942 528 T CA 0.011 62.071 62.100 -0.066 0.000 0.997 528 T CB 0.335 69.178 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 0.345 176.491 176.094 0.087 0.000 1.046 529 V CA -0.952 61.414 62.300 0.110 0.000 0.934 529 V CB 1.312 33.255 31.823 0.198 0.000 1.003 529 V HN 1.140 nan 8.190 nan 0.000 0.451 530 c N 0.811 119.455 118.600 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 1.069 116.792 115.700 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 0.810 59.028 58.200 0.031 0.000 1.027 531 S CB -0.449 62.765 63.200 0.023 0.000 0.732 531 S HN 1.197 nan 8.310 nan 0.000 0.499 532 c N 2.582 121.197 118.600 0.025 0.000 3.271 532 c HA 0.441 5.011 4.570 0.000 0.000 0.353 532 c C 0.661 174.761 174.090 0.017 0.000 1.510 532 c CA -0.478 55.864 56.329 0.021 0.000 1.149 532 c CB 0.825 43.351 42.510 0.027 0.000 1.713 532 c HN 0.998 nan 8.230 nan 0.000 0.421 533 E N -0.224 119.985 120.200 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 0.149 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 -0.320 108.486 108.800 0.010 0.000 3.531 534 G HA2 0.196 4.156 3.960 0.000 0.000 0.212 534 G HA3 0.196 4.156 3.960 0.000 0.000 0.212 534 G C -0.260 174.644 174.900 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 1.379 121.782 120.400 0.005 0.000 2.185 535 K HA 0.623 4.943 4.320 0.000 0.000 0.269 535 K C 0.112 176.713 176.600 0.003 0.000 0.987 535 K CA -0.614 55.673 56.287 0.000 0.000 0.865 535 K CB 2.139 34.638 32.500 -0.002 0.000 1.090 535 K HN 0.116 nan 8.250 nan 0.000 0.450 536 A N 4.714 127.532 122.820 -0.004 0.000 2.532 536 A HA -0.048 4.272 4.320 0.000 0.000 0.269 536 A C 0.030 177.617 177.584 0.004 0.000 1.079 536 A CA 0.460 52.496 52.037 -0.002 0.000 0.800 536 A CB -0.710 18.276 19.000 -0.023 0.000 1.000 536 A HN 0.789 nan 8.150 nan 0.000 0.522 537 I N 1.651 122.229 120.570 0.014 0.000 2.822 537 I HA 0.412 4.582 4.170 0.000 0.000 0.312 537 I C 0.534 176.660 176.117 0.016 0.000 1.011 537 I CA -1.122 60.186 61.300 0.013 0.000 1.105 537 I CB 1.315 39.324 38.000 0.015 0.000 1.291 537 I HN 0.683 nan 8.210 nan 0.000 0.474 538 K N 3.508 123.915 120.400 0.012 0.000 2.401 538 K HA 0.134 4.454 4.320 0.000 0.000 0.278 538 K C -0.297 176.312 176.600 0.015 0.000 1.018 538 K CA -0.347 55.947 56.287 0.012 0.000 0.981 538 K CB 0.781 33.286 32.500 0.008 0.000 0.933 538 K HN 0.706 nan 8.250 nan 0.000 0.477 539 c N 1.911 120.520 118.600 0.015 0.000 2.369 539 c HA 0.314 4.884 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