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 1q5c_1_B 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 0.756 177.265 176.519 -0.017 0.000 0.958 2 W CA -0.631 56.706 57.345 -0.013 0.000 1.492 2 W CB 0.601 30.052 29.460 -0.014 0.000 1.336 2 W HN 0.281 nan 8.180 nan 0.000 0.371 3 V N 1.839 121.885 119.914 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 -0.395 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 -0.394 31.324 31.700 0.030 0.000 0.836 6 P HA 0.176 nan 4.420 nan 0.000 0.269 6 P C -0.535 176.771 177.300 0.011 0.000 1.215 6 P CA 0.230 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 1.902 122.475 120.570 0.006 0.000 2.354 7 I HA 0.219 4.389 4.170 -0.000 0.000 0.286 7 I C 0.043 176.177 176.117 0.028 0.000 1.007 7 I CA -1.207 60.102 61.300 0.015 0.000 1.167 7 I CB 1.081 39.085 38.000 0.007 0.000 1.320 7 I HN 0.151 nan 8.210 nan 0.000 0.458 8 K N 5.799 126.220 120.400 0.034 0.000 2.350 8 K HA 0.551 4.871 4.320 -0.000 0.000 0.279 8 K C -0.613 176.017 176.600 0.051 0.000 1.027 8 K CA -0.453 55.860 56.287 0.043 0.000 0.969 8 K CB 0.768 33.290 32.500 0.037 0.000 0.954 8 K HN 0.310 nan 8.250 nan 0.000 0.474 9 V N 0.998 120.949 119.914 0.063 0.000 2.808 9 V HA 0.337 4.457 4.120 -0.000 0.000 0.308 9 V C -0.214 175.922 176.094 0.071 0.000 1.099 9 V CA -1.024 61.319 62.300 0.072 0.000 0.920 9 V CB 2.118 33.998 31.823 0.095 0.000 1.014 9 V HN 0.877 nan 8.190 nan 0.000 0.425 10 S N 2.169 117.907 115.700 0.063 0.000 2.614 10 S HA 0.362 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 -0.315 57.921 58.200 0.059 0.000 1.000 10 S CB 0.968 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 1.207 121.446 120.200 0.065 0.000 2.248 11 E HA 0.255 4.605 4.350 -0.000 0.000 0.272 11 E C -0.631 176.006 176.600 0.061 0.000 1.008 11 E CA -0.393 56.048 56.400 0.068 0.000 0.856 11 E CB 0.236 29.976 29.700 0.066 0.000 1.120 11 E HN 0.833 nan 8.360 nan 0.000 0.397 12 N N 1.770 120.507 118.700 0.061 0.000 2.725 12 N HA -0.229 4.511 4.740 -0.000 0.000 0.251 12 N C -0.749 174.805 175.510 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 0.949 121.212 120.200 0.105 0.000 2.374 13 E HA 0.415 4.765 4.350 -0.000 0.000 0.260 13 E C 0.071 176.779 176.600 0.180 0.000 1.101 13 E CA -0.325 56.152 56.400 0.128 0.000 0.907 13 E CB 0.669 30.470 29.700 0.170 0.000 1.014 13 E HN 0.247 nan 8.360 nan 0.000 0.427 14 R N 1.193 121.754 120.500 0.101 0.000 2.725 14 R HA 0.445 4.785 4.340 -0.000 0.000 0.276 14 R C -1.126 175.135 176.300 -0.064 0.000 1.189 14 R CA 0.318 56.472 56.100 0.090 0.000 1.083 14 R CB 1.073 31.424 30.300 0.085 0.000 1.262 14 R HN 0.630 nan 8.270 nan 0.000 0.415 15 G N 2.884 111.556 108.800 -0.214 0.000 2.529 15 G HA2 0.443 4.403 3.960 -0.000 0.000 0.238 15 G HA3 0.443 4.403 3.960 -0.000 0.000 0.238 15 G C -2.810 171.869 174.900 -0.368 0.000 1.207 15 G CA -0.570 44.371 45.100 -0.265 0.000 0.928 15 G HN 0.450 nan 8.290 nan 0.000 0.495 16 P HA 0.527 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 3.768 123.689 119.950 -0.048 0.000 2.377 17 F HA 0.401 4.928 4.527 -0.000 0.000 0.328 17 F C -1.010 174.755 175.800 -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 -0.363 62.792 63.100 0.091 0.000 0.770 18 P CB 0.544 32.269 31.700 0.041 0.000 1.206 19 K N 0.208 120.613 120.400 0.007 0.000 2.615 19 K HA 0.313 4.633 4.320 -0.000 0.000 0.249 19 K C -0.845 175.742 176.600 -0.021 0.000 0.977 19 K CA -0.290 55.964 56.287 -0.055 0.000 0.833 19 K CB 1.174 33.656 32.500 -0.030 0.000 1.208 19 K HN 0.182 nan 8.250 nan 0.000 0.443 20 R N 3.483 123.919 120.500 -0.106 0.000 2.442 20 R HA 0.196 4.536 4.340 -0.000 0.000 0.291 20 R C 0.371 176.687 176.300 0.027 0.000 1.069 20 R CA -0.096 55.945 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 2.953 124.260 121.223 0.141 0.000 2.379 21 L HA 0.264 4.604 4.340 -0.000 0.000 0.190 21 L C 0.320 177.309 176.870 0.199 0.000 1.111 21 L CA 0.850 55.775 54.840 0.142 0.000 0.820 21 L CB 0.133 42.274 42.059 0.137 0.000 1.046 21 L HN 0.357 nan 8.230 nan 0.000 0.485 22 V N -1.551 118.522 119.914 0.264 0.000 3.258 22 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 22 V C -1.885 174.252 176.094 0.071 0.000 1.376 22 V CA -0.623 61.801 62.300 0.207 0.000 1.063 22 V CB 2.254 34.102 31.823 0.041 0.000 1.103 22 V HN 0.330 nan 8.190 nan 0.000 0.451 23 Q N 3.254 122.821 119.800 -0.388 0.000 2.340 23 Q HA 0.721 5.061 4.340 -0.000 0.000 0.268 23 Q C -1.249 174.411 176.000 -0.566 0.000 1.031 23 Q CA -0.711 54.579 55.803 -0.854 0.000 0.804 23 Q CB 1.922 29.502 28.738 -1.930 0.000 1.286 23 Q HN 0.840 nan 8.270 nan 0.000 0.448 24 I N 0.033 120.276 120.570 -0.544 0.000 2.603 24 I HA 0.696 4.866 4.170 -0.000 0.000 0.300 24 I C -1.328 174.446 176.117 -0.572 0.000 1.017 24 I CA -0.917 60.112 61.300 -0.453 0.000 1.098 24 I CB 2.030 39.818 38.000 -0.354 0.000 1.279 24 I HN 0.531 nan 8.210 nan 0.000 0.437 25 K N 3.579 123.769 120.400 -0.350 0.000 2.482 25 K HA 0.438 4.758 4.320 -0.000 0.000 0.251 25 K C -1.270 175.324 176.600 -0.010 0.000 0.936 25 K CA -0.458 55.699 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 1.592 117.412 115.700 0.200 0.000 2.508 26 S HA 0.140 4.610 4.470 -0.000 0.000 0.284 26 S C 0.689 175.356 174.600 0.112 0.000 1.192 26 S CA -0.638 57.667 58.200 0.175 0.000 1.070 26 S CB 0.471 63.812 63.200 0.235 0.000 1.004 26 S HN 0.827 nan 8.310 nan 0.000 0.493 27 N N 2.907 121.646 118.700 0.066 0.000 2.353 27 N HA 0.095 4.835 4.740 -0.000 0.000 0.185 27 N C 0.893 176.438 175.510 0.058 0.000 1.098 27 N CA -0.216 52.863 53.050 0.047 0.000 0.872 27 N CB 0.012 38.513 38.487 0.024 0.000 0.970 27 N HN 0.413 nan 8.380 nan 0.000 0.467 28 K N 1.143 121.585 120.400 0.069 0.000 2.630 28 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 28 K C -0.003 176.656 176.600 0.098 0.000 1.024 28 K CA 0.382 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 0.449 nan 8.250 nan 0.000 0.501 29 D N -1.531 118.924 120.400 0.092 0.000 2.339 29 D HA -0.092 4.548 4.640 -0.000 0.000 0.217 29 D C 1.551 177.905 176.300 0.090 0.000 1.050 29 D CA -0.074 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 0.034 nan 8.370 nan 0.000 0.518 30 R N -0.581 119.977 120.500 0.097 0.000 2.127 30 R HA -0.164 4.176 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 1.110 57.261 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 0.869 176.678 175.800 0.014 0.000 1.093 31 F CA 0.919 58.926 58.000 0.012 0.000 1.263 31 F CB 0.068 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 -1.752 173.778 175.510 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 0.480 120.903 120.400 0.039 0.000 2.205 33 K HA 0.459 4.779 4.320 -0.000 0.000 0.279 33 K C -1.120 175.525 176.600 0.074 0.000 1.027 33 K CA -0.505 55.821 56.287 0.065 0.000 0.932 33 K CB 0.651 33.211 32.500 0.100 0.000 1.032 33 K HN 0.294 nan 8.250 nan 0.000 0.466 34 V N 4.678 124.601 119.914 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 4.798 124.961 120.300 -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 0.709 39.190 38.460 0.035 0.000 1.139 35 Y HN 0.595 nan 8.280 nan 0.000 0.494 36 Y N 4.534 124.801 120.300 -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 -0.046 58.047 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 4.059 119.929 115.700 0.283 0.000 2.811 37 S HA 0.848 5.318 4.470 -0.000 0.000 0.311 37 S C -1.121 173.636 174.600 0.262 0.000 1.152 37 S CA -0.886 57.481 58.200 0.279 0.000 0.864 37 S CB 2.434 65.847 63.200 0.354 0.000 1.226 37 S HN 0.693 nan 8.310 nan 0.000 0.541 38 I N 0.665 121.388 120.570 0.255 0.000 2.800 38 I HA 0.547 4.717 4.170 -0.000 0.000 0.294 38 I C -1.727 174.509 176.117 0.198 0.000 1.538 38 I CA -0.223 61.184 61.300 0.179 0.000 1.010 38 I CB 1.999 40.055 38.000 0.094 0.000 1.381 38 I HN 1.161 nan 8.210 nan 0.000 0.462 39 T N 2.430 117.089 114.554 0.175 0.000 2.906 39 T HA 1.003 5.353 4.350 -0.000 0.000 0.295 39 T C -0.263 174.499 174.700 0.104 0.000 1.075 39 T CA -0.129 62.071 62.100 0.167 0.000 1.005 39 T CB 2.020 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 0.540 109.396 108.800 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 -1.609 173.332 174.900 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 1.305 177.378 176.000 0.121 0.000 0.989 41 Q CA 1.248 57.064 55.803 0.020 0.000 0.890 41 Q CB 1.086 29.781 28.738 -0.072 0.000 1.200 41 Q HN 2.252 nan 8.270 nan 0.000 0.396 42 G N 1.363 110.254 108.800 0.152 0.000 2.241 42 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.244 42 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.244 42 G C 0.437 175.537 174.900 0.332 0.000 0.998 42 G CA 0.324 45.640 45.100 0.360 0.000 0.621 42 G HN 0.744 nan 8.290 nan 0.000 0.519 43 A N 0.767 123.716 122.820 0.215 0.000 3.152 43 A HA 0.560 4.880 4.320 -0.000 0.000 0.206 43 A C 1.774 179.433 177.584 0.124 0.000 2.224 43 A CA 1.499 53.645 52.037 0.181 0.000 1.378 43 A CB -0.300 18.785 19.000 0.141 0.000 1.222 43 A HN 0.609 nan 8.150 nan 0.000 0.419 44 D N -0.324 120.138 120.400 0.103 0.000 2.346 44 D HA 0.039 4.679 4.640 -0.000 0.000 0.206 44 D C -0.248 176.089 176.300 0.061 0.000 1.001 44 D CA 0.022 54.070 54.000 0.080 0.000 0.871 44 D CB -0.415 40.433 40.800 0.080 0.000 0.943 44 D HN 0.192 nan 8.370 nan 0.000 0.518 45 N N 1.443 120.179 118.700 0.062 0.000 2.492 45 N HA 0.289 5.029 4.740 -0.000 0.000 0.289 45 N C -2.643 172.886 175.510 0.031 0.000 1.133 45 N CA -1.649 51.426 53.050 0.042 0.000 0.961 45 N CB 1.040 39.549 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 -0.321 62.782 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 0.025 0.000 1.236 47 P CA 0.448 63.535 63.100 -0.022 0.000 0.811 47 P CB 0.069 31.737 31.700 -0.053 0.000 0.840 48 Q N 2.068 121.882 119.800 0.024 0.000 2.332 48 Q HA 0.415 4.755 4.340 -0.000 0.000 0.263 48 Q C 1.250 177.263 176.000 0.021 0.000 0.979 48 Q CA 0.145 55.970 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 1.161 109.983 108.800 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 0.162 45.262 45.100 0.000 0.000 0.728 49 G HN 0.481 nan 8.290 nan 0.000 0.508 50 V N -1.355 118.478 119.914 -0.134 0.000 2.649 50 V HA 0.343 4.463 4.120 -0.000 0.000 0.248 50 V C 0.975 176.582 176.094 -0.812 0.000 1.054 50 V CA 1.501 63.496 62.300 -0.508 0.000 1.073 50 V CB -0.380 31.038 31.823 -0.674 0.000 0.699 50 V HN 0.345 nan 8.190 nan 0.000 0.463 51 F N 0.410 120.330 119.950 -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 40.621 39.000 -0.046 0.000 1.209 51 F HN -0.006 nan 8.300 nan 0.000 0.462 52 R N 1.797 122.415 120.500 0.198 0.000 2.680 52 R HA 0.830 5.170 4.340 -0.000 0.000 0.269 52 R C -2.178 174.215 176.300 0.155 0.000 1.026 52 R CA -0.902 55.292 56.100 0.157 0.000 0.889 52 R CB 2.456 32.825 30.300 0.115 0.000 1.241 52 R HN 0.796 nan 8.270 nan 0.000 0.463 53 I N 0.686 121.347 120.570 0.151 0.000 2.646 53 I HA 0.292 4.462 4.170 -0.000 0.000 0.299 53 I C -0.562 175.644 176.117 0.148 0.000 1.036 53 I CA -1.066 60.319 61.300 0.141 0.000 1.074 53 I CB 2.393 40.464 38.000 0.117 0.000 1.258 53 I HN 0.724 nan 8.210 nan 0.000 0.430 54 E N 8.122 128.395 120.200 0.120 0.000 1.932 54 E HA -0.013 4.337 4.350 -0.000 0.000 0.275 54 E C 0.480 177.067 176.600 -0.022 0.000 1.159 54 E CA -0.360 56.074 56.400 0.056 0.000 0.905 54 E CB 0.189 29.907 29.700 0.029 0.000 1.059 54 E HN 0.689 nan 8.360 nan 0.000 0.400 55 W N 4.103 125.334 121.300 -0.114 0.000 2.279 55 W HA -0.324 4.336 4.660 -0.000 0.000 0.298 55 W C 0.922 177.366 176.519 -0.125 0.000 1.228 55 W CA 1.513 58.635 57.345 -0.372 0.000 1.230 55 W CB -0.393 28.451 29.460 -1.027 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 2.323 178.812 176.600 -0.185 0.000 0.978 56 E CA 1.430 57.491 56.400 -0.565 0.000 0.912 56 E CB 0.128 29.130 29.700 -1.163 0.000 0.907 56 E HN 0.261 nan 8.360 nan 0.000 0.494 57 T N -3.793 110.663 114.554 -0.163 0.000 3.021 57 T HA 0.262 4.612 4.350 -0.000 0.000 0.245 57 T C 1.492 176.011 174.700 -0.302 0.000 1.028 57 T CA 0.582 62.607 62.100 -0.125 0.000 1.139 57 T CB 0.619 69.517 68.868 0.049 0.000 0.884 57 T HN 0.188 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 -0.311 174.325 174.900 -0.441 0.000 1.004 58 G CA -0.535 44.205 45.100 -0.601 0.000 0.677 58 G HN 0.542 nan 8.290 nan 0.000 0.512 59 W N -0.168 121.035 121.300 -0.161 0.000 2.376 59 W HA 0.768 5.428 4.660 -0.000 0.000 0.322 59 W C 0.667 177.152 176.519 -0.057 0.000 1.160 59 W CA -0.900 56.383 57.345 -0.103 0.000 1.218 59 W CB 1.129 30.542 29.460 -0.079 0.000 1.205 59 W HN 0.132 nan 8.180 nan 0.000 0.559 60 M N 4.318 124.098 119.600 0.300 0.000 2.364 60 M HA 0.584 5.064 4.480 -0.000 0.000 0.334 60 M C -1.311 175.116 176.300 0.212 0.000 1.107 60 M CA -0.467 54.951 55.300 0.197 0.000 0.988 60 M CB 0.945 33.618 32.600 0.122 0.000 1.673 60 M HN 0.341 nan 8.290 nan 0.000 0.441 61 L N 3.607 124.945 121.223 0.191 0.000 2.350 61 L HA 0.759 5.099 4.340 -0.000 0.000 0.260 61 L C -0.930 176.039 176.870 0.164 0.000 1.015 61 L CA -1.203 53.729 54.840 0.153 0.000 0.821 61 L CB 1.863 43.977 42.059 0.091 0.000 1.370 61 L HN 0.426 nan 8.230 nan 0.000 0.416 62 V N 0.094 120.069 119.914 0.102 0.000 2.427 62 V HA 0.266 4.386 4.120 -0.000 0.000 0.286 62 V C 0.669 176.732 176.094 -0.052 0.000 1.034 62 V CA 0.346 62.594 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 6.474 120.867 114.554 -0.268 0.000 3.044 63 T HA 0.266 4.616 4.350 -0.000 0.000 0.255 63 T C 0.661 175.019 174.700 -0.570 0.000 1.073 63 T CA 0.872 62.844 62.100 -0.214 0.000 1.125 63 T CB -0.154 68.594 68.868 -0.200 0.000 0.908 63 T HN 0.855 nan 8.240 nan 0.000 0.480 64 R N 0.077 120.084 120.500 -0.822 0.000 2.752 64 R HA 0.571 4.911 4.340 -0.000 0.000 0.271 64 R C -3.344 172.431 176.300 -0.875 0.000 1.026 64 R CA -1.919 53.452 56.100 -1.215 0.000 0.901 64 R CB 0.240 30.162 30.300 -0.630 0.000 1.243 64 R HN -0.156 nan 8.270 nan 0.000 0.463 65 P HA 0.151 nan 4.420 nan 0.000 0.270 65 P C -0.967 176.255 177.300 -0.129 0.000 1.223 65 P CA -0.186 62.798 63.100 -0.193 0.000 0.785 65 P CB 0.409 32.067 31.700 -0.070 0.000 0.923 66 L N -0.600 120.609 121.223 -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 0.054 0.000 1.388 66 L HN 0.119 nan 8.230 nan 0.000 0.413 67 D N -0.357 120.109 120.400 0.110 0.000 2.505 67 D HA 0.301 4.941 4.640 -0.000 0.000 0.250 67 D C 0.826 177.203 176.300 0.128 0.000 1.164 67 D CA -0.754 53.304 54.000 0.096 0.000 0.870 67 D CB 1.557 42.400 40.800 0.072 0.000 1.160 67 D HN 0.630 nan 8.370 nan 0.000 0.549 68 R N 2.555 123.124 120.500 0.115 0.000 2.127 68 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 68 R C 0.902 177.247 176.300 0.076 0.000 1.134 68 R CA 1.223 57.395 56.100 0.121 0.000 0.975 68 R CB -0.179 30.177 30.300 0.093 0.000 0.865 68 R HN 0.251 nan 8.270 nan 0.000 0.447 69 E N 0.690 120.918 120.200 0.047 0.000 2.209 69 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 69 E C 1.659 178.244 176.600 -0.026 0.000 0.993 69 E CA 1.629 58.035 56.400 0.010 0.000 0.819 69 E CB 0.025 29.730 29.700 0.008 0.000 0.745 69 E HN 0.603 nan 8.360 nan 0.000 0.477 70 E N -1.422 118.777 120.200 -0.003 0.000 2.024 70 E HA 0.005 4.355 4.350 -0.000 0.000 0.190 70 E C -0.388 176.059 176.600 -0.255 0.000 0.974 70 E CA 0.518 56.865 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 0.403 120.729 120.300 0.044 0.000 2.346 71 Y HA 0.130 4.680 4.550 -0.000 0.000 0.332 71 Y C -0.360 175.590 175.900 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 -0.142 0.000 1.170 71 Y HN 0.105 nan 8.280 nan 0.000 0.447 72 D N 1.102 121.601 120.400 0.166 0.000 2.349 72 D HA 0.105 4.745 4.640 -0.000 0.000 0.214 72 D C 0.025 176.440 176.300 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 -0.919 119.604 120.400 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 1.215 33.779 32.500 0.106 0.000 1.434 73 K HN -0.154 nan 8.250 nan 0.000 0.410 74 Y N -0.067 120.234 120.300 0.001 0.000 2.553 74 Y HA 0.574 5.124 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 0.179 nan 8.280 nan 0.000 0.466 75 V N 4.234 124.180 119.914 0.052 0.000 2.638 75 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 75 V C -0.791 175.293 176.094 -0.017 0.000 1.052 75 V CA -0.819 61.481 62.300 0.001 0.000 0.885 75 V CB 1.957 33.781 31.823 0.002 0.000 0.999 75 V HN 0.578 nan 8.190 nan 0.000 0.424 76 L N 2.484 123.677 121.223 -0.050 0.000 2.350 76 L HA 0.722 5.062 4.340 -0.000 0.000 0.260 76 L C -0.320 176.517 176.870 -0.056 0.000 1.015 76 L CA -0.602 54.206 54.840 -0.053 0.000 0.821 76 L CB 2.389 44.384 42.059 -0.107 0.000 1.370 76 L HN 0.578 nan 8.230 nan 0.000 0.416 77 S N 0.481 116.150 115.700 -0.052 0.000 2.478 77 S HA 0.616 5.086 4.470 -0.000 0.000 0.312 77 S C -0.572 173.839 174.600 -0.315 0.000 1.094 77 S CA -0.548 57.574 58.200 -0.130 0.000 1.081 77 S CB 1.152 64.330 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 -0.571 0.000 1.152 78 S CA -0.771 57.206 58.200 -0.371 0.000 1.072 78 S CB 0.830 63.948 63.200 -0.137 0.000 1.027 78 S HN 0.792 nan 8.310 nan 0.000 0.500 79 H N 0.235 119.384 119.070 0.132 0.000 2.834 79 H HA 0.800 5.356 4.556 -0.000 0.000 0.369 79 H C -0.847 174.591 175.328 0.183 0.000 1.174 79 H CA -1.046 55.084 56.048 0.137 0.000 1.165 79 H CB 2.054 31.885 29.762 0.115 0.000 1.820 79 H HN 0.950 nan 8.280 nan 0.000 0.558 80 A N 1.592 124.564 122.820 0.253 0.000 2.547 80 A HA 0.476 4.796 4.320 -0.000 0.000 0.279 80 A C -0.558 177.062 177.584 0.060 0.000 1.088 80 A CA -0.568 51.521 52.037 0.087 0.000 0.796 80 A CB 0.366 19.421 19.000 0.091 0.000 1.308 80 A HN 0.443 nan 8.150 nan 0.000 0.415 81 V N 0.639 120.589 119.914 0.060 0.000 2.994 81 V HA 0.947 5.067 4.120 -0.000 0.000 0.318 81 V C 0.418 176.538 176.094 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 1.307 nan 8.190 nan 0.000 0.447 82 S N 0.564 116.292 115.700 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 -0.389 57.857 58.200 0.076 0.000 0.999 82 S CB 1.361 64.625 63.200 0.107 0.000 0.973 82 S HN 0.788 nan 8.310 nan 0.000 0.544 83 E N 2.034 122.281 120.200 0.078 0.000 2.077 83 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 83 E C 2.055 178.670 176.600 0.026 0.000 0.989 83 E CA 1.512 57.938 56.400 0.042 0.000 0.800 83 E CB -0.698 29.033 29.700 0.051 0.000 0.746 83 E HN 0.876 nan 8.360 nan 0.000 0.452 84 N N 0.048 118.788 118.700 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 1.687 54.769 53.050 0.053 0.000 0.863 84 N CB -0.010 38.534 38.487 0.095 0.000 0.990 84 N HN 0.259 nan 8.380 nan 0.000 0.430 85 G N -1.065 107.739 108.800 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 -0.354 174.537 174.900 -0.015 0.000 1.006 85 G CA 0.011 45.098 45.100 -0.021 0.000 0.684 85 G HN 0.429 nan 8.290 nan 0.000 0.489 86 S N 1.753 117.453 115.700 -0.000 0.000 2.541 86 S HA 0.667 5.137 4.470 -0.000 0.000 0.283 86 S C -2.377 172.227 174.600 0.006 0.000 1.196 86 S CA -0.977 57.220 58.200 -0.005 0.000 1.062 86 S CB 2.148 65.338 63.200 -0.017 0.000 1.009 86 S HN 0.131 nan 8.310 nan 0.000 0.502 87 P HA 0.158 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 -0.171 119.769 119.914 0.043 0.000 3.219 88 V HA 0.189 4.309 4.120 -0.000 0.000 0.240 88 V C 0.468 176.590 176.094 0.046 0.000 1.222 88 V CA 0.873 63.194 62.300 0.036 0.000 1.181 88 V CB -0.341 31.507 31.823 0.042 0.000 0.941 88 V HN 0.376 nan 8.190 nan 0.000 0.471 89 E N 0.866 121.107 120.200 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 2.331 32.080 29.700 0.081 0.000 1.172 89 E HN 0.217 nan 8.360 nan 0.000 0.409 90 E N 2.740 122.977 120.200 0.063 0.000 2.465 90 E HA 0.099 4.449 4.350 -0.000 0.000 0.260 90 E C -2.194 174.450 176.600 0.073 0.000 0.980 90 E CA -1.092 55.348 56.400 0.066 0.000 0.927 90 E CB 0.139 29.867 29.700 0.046 0.000 0.934 90 E HN 0.121 nan 8.360 nan 0.000 0.459 91 P HA -0.061 nan 4.420 nan 0.000 0.274 91 P C -0.633 176.659 177.300 -0.013 0.000 1.248 91 P CA 0.540 63.668 63.100 0.047 0.000 0.827 91 P CB 0.389 32.151 31.700 0.104 0.000 0.972 92 M N 0.376 119.926 119.600 -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 -0.071 0.000 1.025 92 M CA -0.528 54.740 55.300 -0.054 0.000 0.954 92 M CB 1.920 34.497 32.600 -0.040 0.000 1.639 92 M HN 0.362 nan 8.290 nan 0.000 0.461 93 E N 3.678 123.854 120.200 -0.039 0.000 2.413 93 E HA 0.322 4.672 4.350 -0.000 0.000 0.263 93 E C -1.404 175.170 176.600 -0.042 0.000 1.015 93 E CA 0.306 56.684 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 0.571 nan 8.360 nan 0.000 0.440 94 I N 2.960 123.499 120.570 -0.051 0.000 2.569 94 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 94 I C -0.794 175.286 176.117 -0.063 0.000 1.088 94 I CA -0.611 60.652 61.300 -0.062 0.000 1.047 94 I CB 2.445 40.391 38.000 -0.090 0.000 1.237 94 I HN 0.434 nan 8.210 nan 0.000 0.421 95 T N 6.446 120.971 114.554 -0.049 0.000 2.863 95 T HA 0.697 5.047 4.350 -0.000 0.000 0.285 95 T C -0.431 174.246 174.700 -0.037 0.000 1.009 95 T CA -0.486 61.595 62.100 -0.033 0.000 0.989 95 T CB 1.923 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 2.967 123.526 120.570 -0.019 0.000 2.499 96 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 96 I C -0.684 175.481 176.117 0.080 0.000 1.048 96 I CA -0.968 60.328 61.300 -0.005 0.000 1.062 96 I CB 1.882 39.816 38.000 -0.109 0.000 1.238 96 I HN 0.459 nan 8.210 nan 0.000 0.426 97 N N 5.451 124.195 118.700 0.074 0.000 2.400 97 N HA 0.393 5.133 4.740 -0.000 0.000 0.288 97 N C -0.796 174.778 175.510 0.106 0.000 1.024 97 N CA -0.456 52.651 53.050 0.095 0.000 0.894 97 N CB 2.962 41.489 38.487 0.065 0.000 1.173 97 N HN 0.190 nan 8.380 nan 0.000 0.487 98 V N 3.747 123.742 119.914 0.136 0.000 2.334 98 V HA 0.330 4.450 4.120 -0.000 0.000 0.267 98 V C 0.747 176.897 176.094 0.094 0.000 1.040 98 V CA -0.706 61.673 62.300 0.131 0.000 0.866 98 V CB 0.051 31.986 31.823 0.186 0.000 1.019 98 V HN 0.487 nan 8.190 nan 0.000 0.468 99 I N 3.902 124.516 120.570 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 0.168 61.501 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 6.475 126.900 120.400 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 0.469 54.489 54.000 0.034 0.000 0.889 100 D CB 0.952 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 1.631 121.446 119.800 0.025 0.000 2.359 101 Q HA 0.142 4.482 4.340 -0.000 0.000 0.274 101 Q C -0.898 175.110 176.000 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 0.344 nan 8.270 nan 0.000 0.427 102 N N 1.784 120.489 118.700 0.008 0.000 2.814 102 N HA -0.061 4.679 4.740 -0.000 0.000 0.304 102 N C -0.509 175.003 175.510 0.004 0.000 1.211 102 N CA 0.369 53.420 53.050 0.002 0.000 1.158 102 N CB 0.114 38.599 38.487 -0.003 0.000 1.458 102 N HN 0.423 nan 8.380 nan 0.000 0.519 103 D N -1.418 118.986 120.400 0.007 0.000 2.407 103 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 103 D C -0.393 175.910 176.300 0.005 0.000 1.083 103 D CA 0.037 54.042 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 0.084 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 -0.799 174.704 175.510 -0.012 0.000 1.003 104 N CA -0.523 52.525 53.050 -0.004 0.000 0.892 104 N CB 2.286 40.770 38.487 -0.005 0.000 1.193 104 N HN 0.107 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 -2.050 174.236 176.300 -0.023 0.000 1.069 105 R CA -0.931 55.161 56.100 -0.013 0.000 1.080 105 R CB 0.630 30.932 30.300 0.003 0.000 1.030 105 R HN 0.322 nan 8.270 nan 0.000 0.491 106 P HA 0.165 nan 4.420 nan 0.000 0.286 106 P C -1.520 175.747 177.300 -0.054 0.000 1.293 106 P CA -0.277 62.776 63.100 -0.078 0.000 0.770 106 P CB 0.670 32.281 31.700 -0.148 0.000 1.206 107 K N -0.420 119.936 120.400 -0.073 0.000 2.561 107 K HA 0.384 4.704 4.320 -0.000 0.000 0.254 107 K C -1.148 175.464 176.600 0.020 0.000 0.942 107 K CA -0.572 55.724 56.287 0.014 0.000 0.818 107 K CB 0.983 33.515 32.500 0.054 0.000 1.306 107 K HN 0.122 nan 8.250 nan 0.000 0.435 108 F N 2.168 122.195 119.950 0.128 0.000 2.518 108 F HA 0.035 4.562 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 0.484 58.612 58.000 0.214 0.000 1.287 108 F CB 1.174 40.350 39.000 0.293 0.000 1.132 108 F HN 0.692 nan 8.300 nan 0.000 0.587 109 T N 1.218 116.043 114.554 0.453 0.000 2.624 109 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 109 T C 0.684 175.445 174.700 0.101 0.000 1.041 109 T CA 1.546 63.806 62.100 0.268 0.000 1.159 109 T CB -0.160 68.902 68.868 0.323 0.000 0.863 109 T HN 0.542 nan 8.240 nan 0.000 0.434 110 Q N -0.382 119.379 119.800 -0.065 0.000 2.333 110 Q HA 0.388 4.728 4.340 -0.000 0.000 0.266 110 Q C 0.337 176.227 176.000 -0.183 0.000 1.053 110 Q CA -0.674 54.912 55.803 -0.361 0.000 0.890 110 Q CB 0.998 29.170 28.738 -0.942 0.000 1.337 110 Q HN -0.029 nan 8.270 nan 0.000 0.474 111 D N -0.520 119.772 120.400 -0.181 0.000 2.346 111 D HA 0.065 4.705 4.640 -0.000 0.000 0.206 111 D C -0.598 175.639 176.300 -0.105 0.000 1.001 111 D CA 0.344 54.297 54.000 -0.078 0.000 0.871 111 D CB 0.789 41.556 40.800 -0.056 0.000 0.943 111 D HN 0.296 nan 8.370 nan 0.000 0.518 112 V N -1.793 117.995 119.914 -0.210 0.000 2.823 112 V HA 0.467 4.587 4.120 -0.000 0.000 0.296 112 V C -0.996 174.969 176.094 -0.216 0.000 1.250 112 V CA -1.133 61.102 62.300 -0.108 0.000 0.939 112 V CB 0.711 32.491 31.823 -0.072 0.000 1.062 112 V HN -0.143 nan 8.190 nan 0.000 0.433 113 F N 2.352 122.257 119.950 -0.075 0.000 2.458 113 F HA 0.834 5.361 4.527 -0.000 0.000 0.330 113 F C 0.745 176.509 175.800 -0.060 0.000 1.082 113 F CA -0.673 57.293 58.000 -0.056 0.000 0.995 113 F CB 2.129 41.096 39.000 -0.056 0.000 1.170 113 F HN 0.422 nan 8.300 nan 0.000 0.478 114 R N 0.568 121.137 120.500 0.116 0.000 2.854 114 R HA 0.838 5.178 4.340 -0.000 0.000 0.271 114 R C -0.454 175.871 176.300 0.042 0.000 0.996 114 R CA -1.114 55.017 56.100 0.052 0.000 0.961 114 R CB 2.249 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 0.570 nan 8.290 nan 0.000 0.482 116 S N -1.615 114.098 115.700 0.022 0.000 2.537 116 S HA 0.807 5.277 4.470 -0.000 0.000 0.271 116 S C -1.114 173.515 174.600 0.049 0.000 1.148 116 S CA -0.535 57.690 58.200 0.042 0.000 0.868 116 S CB 1.647 64.869 63.200 0.037 0.000 1.115 116 S HN 1.670 nan 8.310 nan 0.000 0.461 117 V N 0.413 120.370 119.914 0.072 0.000 3.178 117 V HA 0.665 4.785 4.120 -0.000 0.000 0.302 117 V C -0.310 175.831 176.094 0.078 0.000 1.262 117 V CA -1.178 61.166 62.300 0.074 0.000 1.030 117 V CB 1.871 33.751 31.823 0.096 0.000 1.074 117 V HN 1.152 nan 8.190 nan 0.000 0.438 118 R N 1.130 121.669 120.500 0.064 0.000 2.410 118 R HA 0.313 4.653 4.340 -0.000 0.000 0.288 118 R C 1.535 177.874 176.300 0.066 0.000 1.051 118 R CA 0.134 56.271 56.100 0.062 0.000 1.021 118 R CB 1.197 31.526 30.300 0.048 0.000 1.032 118 R HN 0.999 nan 8.270 nan 0.000 0.481 119 E N 2.811 123.055 120.200 0.074 0.000 2.118 119 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 119 E C 1.010 177.642 176.600 0.053 0.000 0.992 119 E CA 1.509 57.955 56.400 0.076 0.000 0.804 119 E CB -0.178 29.575 29.700 0.088 0.000 0.741 119 E HN 0.832 nan 8.360 nan 0.000 0.458 120 G N 2.052 110.880 108.800 0.047 0.000 2.985 120 G HA2 0.106 4.066 3.960 -0.000 0.000 0.209 120 G HA3 0.106 4.066 3.960 -0.000 0.000 0.209 120 G C 0.787 175.702 174.900 0.025 0.000 1.165 120 G CA 0.324 45.446 45.100 0.036 0.000 0.776 120 G HN 0.269 nan 8.290 nan 0.000 0.541 121 V N -2.185 117.743 119.914 0.024 0.000 3.237 121 V HA 0.323 4.443 4.120 -0.000 0.000 0.305 121 V C -0.075 176.020 176.094 0.002 0.000 1.096 121 V CA -0.862 61.448 62.300 0.016 0.000 1.130 121 V CB 0.920 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 2.826 122.626 119.800 -0.000 0.000 2.259 122 Q HA 0.396 4.736 4.340 -0.000 0.000 0.246 122 Q C -2.353 173.636 176.000 -0.018 0.000 0.920 122 Q CA -1.843 53.954 55.803 -0.009 0.000 0.895 122 Q CB 1.322 30.057 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 63.794 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 1.472 110.261 108.800 -0.018 0.000 2.145 124 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.176 124 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.176 124 G C -0.127 174.774 174.900 0.003 0.000 1.013 124 G CA -0.371 44.725 45.100 -0.006 0.000 0.689 124 G HN 0.643 nan 8.290 nan 0.000 0.506 125 T N 0.814 115.374 114.554 0.009 0.000 2.771 125 T HA 0.501 4.851 4.350 -0.000 0.000 0.281 125 T C 0.203 174.921 174.700 0.030 0.000 0.982 125 T CA -0.328 61.783 62.100 0.018 0.000 0.978 125 T CB 1.879 70.759 68.868 0.019 0.000 0.930 125 T HN 0.438 nan 8.240 nan 0.000 0.447 126 Q N 3.504 123.317 119.800 0.021 0.000 2.271 126 Q HA 0.258 4.598 4.340 -0.000 0.000 0.273 126 Q C 0.282 176.294 176.000 0.021 0.000 1.051 126 Q CA -0.155 55.658 55.803 0.017 0.000 0.901 126 Q CB 0.804 29.545 28.738 0.006 0.000 1.174 126 Q HN 0.620 nan 8.270 nan 0.000 0.385 127 V N 4.792 124.718 119.914 0.019 0.000 3.064 127 V HA 0.204 4.324 4.120 -0.000 0.000 0.215 127 V C 0.753 176.837 176.094 -0.018 0.000 1.167 127 V CA 0.401 62.708 62.300 0.011 0.000 1.286 127 V CB 0.317 32.150 31.823 0.017 0.000 1.103 127 V HN 0.917 nan 8.190 nan 0.000 0.510 128 M N 0.206 119.774 119.600 -0.053 0.000 2.356 128 M HA 0.709 5.189 4.480 -0.000 0.000 0.219 128 M C -0.459 175.796 176.300 -0.075 0.000 1.004 128 M CA 0.084 55.348 55.300 -0.060 0.000 1.427 128 M CB 1.413 33.958 32.600 -0.093 0.000 1.197 128 M HN 0.536 nan 8.290 nan 0.000 0.739 129 A N 0.052 122.815 122.820 -0.095 0.000 2.547 129 A HA 0.646 4.966 4.320 -0.000 0.000 0.298 129 A C -1.720 175.734 177.584 -0.217 0.000 1.062 129 A CA -0.626 51.330 52.037 -0.134 0.000 0.748 129 A CB 1.070 20.032 19.000 -0.063 0.000 1.288 129 A HN 0.456 nan 8.150 nan 0.000 0.396 130 V N 1.339 121.016 119.914 -0.396 0.000 2.876 130 V HA 0.821 4.941 4.120 -0.000 0.000 0.312 130 V C 0.106 175.921 176.094 -0.465 0.000 1.085 130 V CA -0.449 61.427 62.300 -0.707 0.000 0.945 130 V CB 2.368 33.676 31.823 -0.858 0.000 1.017 130 V HN 1.036 nan 8.190 nan 0.000 0.428 131 S N 1.501 117.092 115.700 -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 2.102 65.432 63.200 0.217 0.000 1.111 131 S HN 1.420 nan 8.310 nan 0.000 0.493 132 A N 0.825 123.744 122.820 0.164 0.000 2.549 132 A HA 0.768 5.088 4.320 -0.000 0.000 0.291 132 A C -0.921 176.659 177.584 -0.007 0.000 1.034 132 A CA -0.713 51.328 52.037 0.007 0.000 0.655 132 A CB 0.662 19.423 19.000 -0.398 0.000 1.299 132 A HN 1.065 nan 8.150 nan 0.000 0.427 133 T N -1.197 113.327 114.554 -0.051 0.000 2.843 133 T HA 0.765 5.115 4.350 -0.000 0.000 0.302 133 T C -1.688 172.975 174.700 -0.061 0.000 1.232 133 T CA -0.576 61.499 62.100 -0.043 0.000 1.009 133 T CB 2.169 71.035 68.868 -0.003 0.000 1.254 133 T HN 0.767 nan 8.240 nan 0.000 0.504 134 D N -0.522 119.845 120.400 -0.054 0.000 2.646 134 D HA 0.327 4.967 4.640 -0.000 0.000 0.245 134 D C 0.299 176.582 176.300 -0.029 0.000 1.099 134 D CA -0.504 53.467 54.000 -0.048 0.000 0.849 134 D CB 2.666 43.428 40.800 -0.063 0.000 1.448 134 D HN 0.730 nan 8.370 nan 0.000 0.489 135 E N 1.161 121.350 120.200 -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 0.455 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 1.182 121.575 120.400 -0.011 0.000 2.372 136 D HA -0.056 4.584 4.640 -0.000 0.000 0.243 136 D C 0.072 176.368 176.300 -0.006 0.000 1.297 136 D CA 0.151 54.148 54.000 -0.006 0.000 0.958 136 D CB 0.311 41.107 40.800 -0.007 0.000 1.114 136 D HN -0.019 nan 8.370 nan 0.000 0.496 137 D N -0.958 119.442 120.400 -0.001 0.000 2.390 137 D HA -0.020 4.620 4.640 -0.000 0.000 0.236 137 D C 0.081 176.376 176.300 -0.008 0.000 1.189 137 D CA 0.255 54.255 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 2.009 120.705 118.700 -0.008 0.000 2.423 138 N HA 0.126 4.866 4.740 -0.000 0.000 0.262 138 N C -0.049 175.456 175.510 -0.008 0.000 1.467 138 N CA -0.219 52.824 53.050 -0.013 0.000 0.847 138 N CB 0.072 38.549 38.487 -0.018 0.000 1.394 138 N HN 0.356 nan 8.380 nan 0.000 0.495 139 I N -0.880 119.687 120.570 -0.003 0.000 4.541 139 I HA 0.242 4.412 4.170 -0.000 0.000 0.337 139 I C -0.479 175.639 176.117 0.001 0.000 1.338 139 I CA 0.161 61.460 61.300 -0.001 0.000 1.244 139 I CB 0.763 38.765 38.000 0.002 0.000 1.417 139 I HN 0.027 nan 8.210 nan 0.000 0.501 140 D N -0.272 120.129 120.400 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 0.552 54.554 54.000 0.003 0.000 0.876 140 D CB 1.049 41.853 40.800 0.007 0.000 1.344 140 D HN 0.314 nan 8.370 nan 0.000 0.503 141 S N -0.685 115.013 115.700 -0.002 0.000 2.806 141 S HA 0.576 5.046 4.470 -0.000 0.000 0.306 141 S C 0.079 174.672 174.600 -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 0.982 122.196 121.223 -0.017 0.000 2.808 142 L HA 0.329 4.669 4.340 -0.000 0.000 0.246 142 L C 0.767 177.618 176.870 -0.031 0.000 1.153 142 L CA -0.172 54.652 54.840 -0.026 0.000 0.956 142 L CB -0.472 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 1.324 120.011 118.700 -0.023 0.000 2.513 143 N HA -0.109 4.631 4.740 -0.000 0.000 0.187 143 N C 1.488 176.979 175.510 -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 0.352 nan 8.380 nan 0.000 0.445 144 G N -0.820 107.958 108.800 -0.036 0.000 3.979 144 G HA2 0.267 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 -0.353 174.510 174.900 -0.061 0.000 1.011 144 G CA -0.103 44.970 45.100 -0.045 0.000 0.818 144 G HN 0.189 nan 8.290 nan 0.000 0.470 145 V N -0.452 119.420 119.914 -0.071 0.000 2.435 145 V HA 0.793 4.913 4.120 -0.000 0.000 0.290 145 V C -0.525 175.484 176.094 -0.143 0.000 1.030 145 V CA -1.180 61.065 62.300 -0.091 0.000 0.881 145 V CB 1.627 33.410 31.823 -0.066 0.000 0.983 145 V HN -0.092 nan 8.190 nan 0.000 0.445 146 L N 3.821 124.912 121.223 -0.221 0.000 2.365 146 L HA 0.737 5.077 4.340 -0.000 0.000 0.267 146 L C 0.382 177.002 176.870 -0.417 0.000 1.033 146 L CA -0.283 54.344 54.840 -0.355 0.000 0.802 146 L CB 1.361 43.098 42.059 -0.537 0.000 1.267 146 L HN 0.938 nan 8.230 nan 0.000 0.457 147 S N -0.237 115.204 115.700 -0.432 0.000 2.672 147 S HA 0.628 5.098 4.470 -0.000 0.000 0.291 147 S C -1.072 173.335 174.600 -0.322 0.000 1.145 147 S CA -0.434 57.582 58.200 -0.307 0.000 1.013 147 S CB 0.405 63.522 63.200 -0.138 0.000 1.017 147 S HN 0.311 nan 8.310 nan 0.000 0.487 148 Y N 2.550 122.830 120.300 -0.034 0.000 2.307 148 Y HA 0.645 5.195 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 -0.085 58.003 58.100 -0.021 0.000 1.280 148 Y CB 1.505 39.947 38.460 -0.029 0.000 1.248 148 Y HN 0.793 nan 8.280 nan 0.000 0.508 149 S N 0.832 116.647 115.700 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 64.515 63.200 0.076 0.000 1.130 149 S HN 0.514 nan 8.310 nan 0.000 0.471 150 I N 0.897 121.507 120.570 0.067 0.000 2.730 150 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 150 I C -0.793 175.353 176.117 0.048 0.000 1.089 150 I CA -1.081 60.249 61.300 0.051 0.000 1.041 150 I CB 2.078 40.102 38.000 0.041 0.000 1.235 150 I HN 0.672 nan 8.210 nan 0.000 0.423 151 L N 2.010 123.259 121.223 0.043 0.000 3.521 151 L HA 0.536 4.876 4.340 -0.000 0.000 0.323 151 L C -0.105 176.788 176.870 0.038 0.000 1.268 151 L CA -0.341 54.523 54.840 0.040 0.000 1.064 151 L CB -0.274 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 1.757 122.182 120.400 0.042 0.000 2.372 152 K HA 0.239 4.559 4.320 -0.000 0.000 0.354 152 K C -1.514 175.123 176.600 0.063 0.000 1.394 152 K CA -0.129 56.187 56.287 0.048 0.000 1.138 152 K CB 0.921 33.443 32.500 0.037 0.000 1.399 152 K HN 0.437 nan 8.250 nan 0.000 0.480 153 Q N 2.524 122.382 119.800 0.096 0.000 2.257 153 Q HA 0.314 4.654 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 -0.786 55.110 55.803 0.154 0.000 0.927 153 Q CB 1.858 30.734 28.738 0.230 0.000 1.229 153 Q HN 0.342 nan 8.270 nan 0.000 0.433 154 D N 2.796 123.292 120.400 0.160 0.000 2.325 154 D HA 0.201 4.841 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 52.633 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 -0.797 176.549 177.300 0.077 0.000 0.540 155 P CA 0.691 63.804 63.100 0.022 0.000 1.035 155 P CB -0.611 30.998 31.700 -0.152 0.000 1.908 156 E N -0.028 120.209 120.200 0.061 0.000 2.401 156 E HA -0.085 4.265 4.350 -0.000 0.000 0.203 156 E C 0.350 176.943 176.600 -0.012 0.000 1.229 156 E CA 0.579 57.006 56.400 0.044 0.000 1.000 156 E CB -0.074 29.646 29.700 0.034 0.000 1.052 156 E HN 0.303 nan 8.360 nan 0.000 0.497 157 E N -1.881 118.273 120.200 -0.077 0.000 2.314 157 E HA 0.274 4.625 4.350 -0.000 0.000 0.272 157 E C -2.178 174.068 176.600 -0.590 0.000 0.884 157 E CA -2.289 53.968 56.400 -0.237 0.000 0.753 157 E CB 1.600 31.208 29.700 -0.153 0.000 1.213 157 E HN -0.168 nan 8.360 nan 0.000 0.432 158 P HA -0.046 nan 4.420 nan 0.000 0.215 158 P C -0.088 177.122 177.300 -0.150 0.000 1.153 158 P CA 1.376 64.301 63.100 -0.291 0.000 0.853 158 P CB 0.073 31.642 31.700 -0.219 0.000 0.788 159 I N -7.344 113.138 120.570 -0.146 0.000 3.279 159 I HA 0.526 4.696 4.170 -0.000 0.000 0.315 159 I C -2.598 173.464 176.117 -0.091 0.000 1.187 159 I CA -2.699 58.541 61.300 -0.099 0.000 0.953 159 I CB 2.627 40.565 38.000 -0.103 0.000 1.279 159 I HN -0.366 nan 8.210 nan 0.000 0.465 160 P HA 0.315 nan 4.420 nan 0.000 0.288 160 P C -1.148 176.125 177.300 -0.045 0.000 1.682 160 P CA -0.097 62.983 63.100 -0.033 0.000 1.270 160 P CB -0.417 31.282 31.700 -0.003 0.000 1.596 161 N N 0.079 118.716 118.700 -0.104 0.000 2.646 161 N HA 0.230 4.970 4.740 -0.000 0.000 0.303 161 N C 1.004 176.370 175.510 -0.239 0.000 1.921 161 N CA -0.348 52.637 53.050 -0.108 0.000 0.872 161 N CB 0.239 38.682 38.487 -0.075 0.000 1.327 161 N HN -0.090 nan 8.380 nan 0.000 0.492 162 L N -0.707 120.248 121.223 -0.448 0.000 2.201 162 L HA 0.134 4.474 4.340 -0.000 0.000 0.212 162 L C -0.310 175.925 176.870 -1.059 0.000 1.105 162 L CA 1.253 55.538 54.840 -0.925 0.000 0.775 162 L CB -0.316 40.819 42.059 -1.539 0.000 0.913 162 L HN 0.224 nan 8.230 nan 0.000 0.440 163 F N -2.688 117.187 119.950 -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 0.426 115.088 114.554 0.179 0.000 2.816 164 T HA 0.743 5.093 4.350 -0.000 0.000 0.299 164 T C -1.943 172.794 174.700 0.061 0.000 1.230 164 T CA -0.531 61.620 62.100 0.086 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 2.506 123.098 120.570 0.036 0.000 2.647 165 I HA 0.484 4.654 4.170 -0.000 0.000 0.295 165 I C -0.669 175.463 176.117 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 39.951 38.000 -0.002 0.000 1.239 165 I HN 0.563 nan 8.210 nan 0.000 0.421 166 N N 6.134 124.838 118.700 0.007 0.000 2.405 166 N HA 0.141 4.881 4.740 -0.000 0.000 0.260 166 N C 0.819 176.384 175.510 0.090 0.000 1.152 166 N CA 0.236 53.304 53.050 0.031 0.000 0.948 166 N CB 0.910 39.403 38.487 0.010 0.000 1.111 166 N HN 0.649 nan 8.380 nan 0.000 0.485 167 R N 2.493 123.055 120.500 0.104 0.000 2.117 167 R HA -0.200 4.140 4.340 -0.000 0.000 0.243 167 R C 1.565 177.993 176.300 0.215 0.000 1.143 167 R CA 1.605 57.794 56.100 0.149 0.000 0.968 167 R CB 0.057 30.398 30.300 0.067 0.000 0.863 167 R HN 0.694 nan 8.270 nan 0.000 0.444 168 E N -0.021 120.270 120.200 0.153 0.000 2.060 168 E HA -0.114 4.236 4.350 -0.000 0.000 0.189 168 E C 1.672 178.421 176.600 0.248 0.000 0.974 168 E CA 1.572 58.059 56.400 0.145 0.000 0.808 168 E CB 0.216 29.958 29.700 0.070 0.000 0.768 168 E HN 0.408 nan 8.360 nan 0.000 0.453 169 T N -3.496 111.148 114.554 0.150 0.000 3.051 169 T HA 0.219 4.569 4.350 -0.000 0.000 0.255 169 T C 1.501 176.093 174.700 -0.181 0.000 1.085 169 T CA 0.666 62.797 62.100 0.052 0.000 1.109 169 T CB 0.452 69.317 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 44.663 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 2.428 122.943 120.570 -0.093 0.000 2.562 172 I HA 0.581 4.751 4.170 -0.000 0.000 0.301 172 I C 0.161 176.278 176.117 -0.000 0.000 1.003 172 I CA 0.015 61.282 61.300 -0.056 0.000 1.127 172 I CB 2.033 39.960 38.000 -0.120 0.000 1.304 172 I HN 0.611 nan 8.210 nan 0.000 0.446 173 S N 3.944 119.682 115.700 0.062 0.000 2.595 173 S HA 0.513 4.983 4.470 -0.000 0.000 0.281 173 S C -1.054 173.647 174.600 0.168 0.000 1.117 173 S CA -0.552 57.702 58.200 0.089 0.000 0.873 173 S CB 2.166 65.391 63.200 0.041 0.000 1.108 173 S HN 0.413 nan 8.310 nan 0.000 0.477 174 L N 2.747 124.043 121.223 0.121 0.000 2.360 174 L HA 0.483 4.823 4.340 -0.000 0.000 0.276 174 L C 0.330 177.166 176.870 -0.057 0.000 1.121 174 L CA 0.618 55.468 54.840 0.016 0.000 0.845 174 L CB 0.057 42.103 42.059 -0.022 0.000 1.143 174 L HN 0.855 nan 8.230 nan 0.000 0.452 175 I N 2.695 123.183 120.570 -0.137 0.000 3.300 175 I HA 0.306 4.476 4.170 -0.000 0.000 0.279 175 I C 1.251 177.286 176.117 -0.136 0.000 1.172 175 I CA 0.489 61.726 61.300 -0.105 0.000 1.431 175 I CB 0.355 38.307 38.000 -0.080 0.000 1.240 175 I HN 0.771 nan 8.210 nan 0.000 0.453 176 G N 0.052 108.721 108.800 -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 0.373 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 -4.916 109.549 114.554 -0.148 0.000 3.032 177 T HA 0.581 4.931 4.350 -0.000 0.000 0.312 177 T C 0.078 174.722 174.700 -0.093 0.000 1.078 177 T CA 0.323 62.359 62.100 -0.107 0.000 1.028 177 T CB 1.636 70.465 68.868 -0.066 0.000 1.091 177 T HN 2.099 nan 8.240 nan 0.000 0.457 178 G N 2.078 110.837 108.800 -0.067 0.000 2.731 178 G HA2 0.027 3.987 3.960 -0.000 0.000 0.219 178 G HA3 0.027 3.987 3.960 -0.000 0.000 0.219 178 G C -0.218 174.689 174.900 0.011 0.000 0.989 178 G CA -0.774 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 1.606 122.834 121.223 0.008 0.000 2.462 179 L HA 0.484 4.824 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 0.160 55.047 54.840 0.078 0.000 0.880 179 L CB 0.913 43.001 42.059 0.049 0.000 1.142 179 L HN 0.164 nan 8.230 nan 0.000 0.473 180 D N 2.503 123.035 120.400 0.219 0.000 2.855 180 D HA 0.158 4.798 4.640 -0.000 0.000 0.241 180 D C 0.551 176.965 176.300 0.190 0.000 1.277 180 D CA -0.610 53.502 54.000 0.187 0.000 0.918 180 D CB 1.521 42.438 40.800 0.195 0.000 1.462 180 D HN 0.366 nan 8.370 nan 0.000 0.559 181 R N 2.469 123.045 120.500 0.126 0.000 2.075 181 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 181 R C 0.769 177.097 176.300 0.047 0.000 1.126 181 R CA 1.458 57.616 56.100 0.096 0.000 0.963 181 R CB 0.244 30.585 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 1.662 178.212 176.600 -0.085 0.000 0.993 182 E CA 1.436 57.830 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 -1.144 119.182 120.400 -0.123 0.000 2.344 183 K HA 0.195 4.515 4.320 -0.000 0.000 0.200 183 K C -0.384 175.772 176.600 -0.741 0.000 1.132 183 K CA 0.236 56.242 56.287 -0.467 0.000 0.935 183 K CB 0.684 32.829 32.500 -0.592 0.000 1.089 183 K HN -0.003 nan 8.250 nan 0.000 0.496 184 F N 1.535 121.480 119.950 -0.008 0.000 2.771 184 F HA 0.263 4.790 4.527 -0.000 0.000 0.365 184 F C -2.092 173.677 175.800 -0.051 0.000 1.169 184 F CA -1.723 56.228 58.000 -0.082 0.000 1.093 184 F CB 1.830 40.771 39.000 -0.098 0.000 1.363 184 F HN -0.094 nan 8.300 nan 0.000 0.496 185 P HA -0.018 nan 4.420 nan 0.000 0.239 185 P C -0.173 177.173 177.300 0.078 0.000 1.188 185 P CA 0.725 63.874 63.100 0.081 0.000 0.794 185 P CB 1.238 32.957 31.700 0.032 0.000 0.937 186 E N -0.257 119.923 120.200 -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 1.270 121.621 120.300 0.084 0.000 2.320 187 Y HA 0.367 4.917 4.550 -0.000 0.000 0.324 187 Y C 0.413 176.319 175.900 0.010 0.000 1.190 187 Y CA -0.319 57.825 58.100 0.073 0.000 1.215 187 Y CB 2.008 40.552 38.460 0.140 0.000 1.221 187 Y HN 0.243 nan 8.280 nan 0.000 0.486 188 T N 4.830 119.474 114.554 0.150 0.000 2.892 188 T HA 0.559 4.909 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 -0.193 68.694 68.868 0.031 0.000 0.981 188 T HN 0.491 nan 8.240 nan 0.000 0.457 189 L N 0.496 121.724 121.223 0.008 0.000 2.334 189 L HA 0.861 5.201 4.340 -0.000 0.000 0.273 189 L C -0.242 176.609 176.870 -0.033 0.000 1.013 189 L CA -1.011 53.826 54.840 -0.004 0.000 0.816 189 L CB 1.419 43.453 42.059 -0.043 0.000 1.278 189 L HN 0.267 nan 8.230 nan 0.000 0.431 190 T N 2.351 116.896 114.554 -0.015 0.000 2.767 190 T HA 0.533 4.883 4.350 -0.000 0.000 0.288 190 T C 0.106 174.798 174.700 -0.014 0.000 0.963 190 T CA -0.531 61.552 62.100 -0.027 0.000 1.019 190 T CB 1.591 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 1.536 121.427 119.914 -0.037 0.000 2.994 191 V HA 0.786 4.906 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 -1.417 174.725 176.000 0.237 0.000 1.068 192 Q CA -0.666 55.331 55.803 0.324 0.000 0.816 192 Q CB 2.482 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 1.776 124.639 122.820 0.072 0.000 2.386 193 A HA 0.866 5.186 4.320 -0.000 0.000 0.311 193 A C -1.067 176.419 177.584 -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 0.933 115.367 114.554 -0.200 0.000 2.906 194 T HA 0.420 4.770 4.350 -0.000 0.000 0.295 194 T C -0.967 173.647 174.700 -0.143 0.000 1.061 194 T CA -0.463 61.556 62.100 -0.135 0.000 1.000 194 T CB 1.464 70.284 68.868 -0.080 0.000 1.103 194 T HN 0.650 nan 8.240 nan 0.000 0.486 195 D N 1.416 121.757 120.400 -0.099 0.000 2.400 195 D HA 0.190 4.830 4.640 -0.000 0.000 0.238 195 D C 0.964 177.221 176.300 -0.071 0.000 1.157 195 D CA 0.076 54.026 54.000 -0.082 0.000 0.889 195 D CB 0.223 40.990 40.800 -0.054 0.000 1.199 195 D HN 0.652 nan 8.370 nan 0.000 0.436 196 L N 1.666 122.850 121.223 -0.064 0.000 3.660 196 L HA -0.289 4.051 4.340 -0.000 0.000 0.440 196 L C -0.110 176.727 176.870 -0.056 0.000 1.262 196 L CA 0.295 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 -1.555 118.599 120.200 -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 -1.528 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 -0.411 108.340 108.800 -0.082 0.000 2.189 198 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.267 198 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.267 198 G C 0.942 175.818 174.900 -0.040 0.000 0.975 198 G CA 0.890 45.954 45.100 -0.059 0.000 0.644 198 G HN 0.948 nan 8.290 nan 0.000 0.537 199 A N -0.243 122.553 122.820 -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 1.730 53.750 52.037 -0.028 0.000 0.657 199 A CB -0.638 18.347 19.000 -0.024 0.000 0.852 199 A HN 1.519 nan 8.150 nan 0.000 0.454 200 G N 0.010 108.791 108.800 -0.032 0.000 2.830 200 G HA2 0.354 4.314 3.960 -0.000 0.000 0.172 200 G HA3 0.354 4.314 3.960 -0.000 0.000 0.172 200 G C 0.368 175.255 174.900 -0.023 0.000 1.782 200 G CA 0.116 45.200 45.100 -0.027 0.000 0.900 200 G HN 0.354 nan 8.290 nan 0.000 0.389 201 L N 0.206 121.413 121.223 -0.027 0.000 2.352 201 L HA 0.589 4.929 4.340 -0.000 0.000 0.269 201 L C -0.034 176.821 176.870 -0.024 0.000 1.034 201 L CA -0.695 54.135 54.840 -0.018 0.000 0.806 201 L CB 2.109 44.160 42.059 -0.014 0.000 1.244 201 L HN 0.481 nan 8.230 nan 0.000 0.447 202 S N 0.067 115.764 115.700 -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 -2.074 117.896 119.914 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 0.919 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 0.058 0.000 1.246 204 E HN 1.214 nan 8.360 nan 0.000 0.427 205 G N 0.251 108.687 108.800 -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 -0.940 119.308 120.400 -0.254 0.000 2.575 206 K HA 0.585 4.905 4.320 -0.000 0.000 0.255 206 K C -1.411 175.174 176.600 -0.026 0.000 0.953 206 K CA -0.510 55.712 56.287 -0.109 0.000 0.840 206 K CB 2.299 34.758 32.500 -0.068 0.000 1.303 206 K HN 0.824 nan 8.250 nan 0.000 0.438 207 A N 4.033 126.826 122.820 -0.045 0.000 2.371 207 A HA 0.795 5.115 4.320 -0.000 0.000 0.311 207 A C -1.040 176.522 177.584 -0.035 0.000 1.068 207 A CA -0.665 51.361 52.037 -0.018 0.000 0.744 207 A CB 0.722 19.660 19.000 -0.103 0.000 1.239 207 A HN 0.640 nan 8.150 nan 0.000 0.435 208 I N 2.716 123.280 120.570 -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 1.891 39.896 38.000 0.009 0.000 1.249 208 I HN 0.520 nan 8.210 nan 0.000 0.429 209 I N 5.713 126.291 120.570 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 -0.558 60.763 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 6.064 125.915 119.800 0.086 0.000 2.214 210 Q HA 0.569 4.909 4.340 -0.000 0.000 0.251 210 Q C -1.044 175.026 176.000 0.118 0.000 0.936 210 Q CA -0.711 55.148 55.803 0.094 0.000 0.894 210 Q CB 2.237 31.007 28.738 0.053 0.000 1.252 210 Q HN 0.601 nan 8.270 nan 0.000 0.448 211 I N 2.806 123.455 120.570 0.132 0.000 2.328 211 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 211 I C 0.578 176.750 176.117 0.091 0.000 1.012 211 I CA -0.415 60.966 61.300 0.136 0.000 1.195 211 I CB 1.613 39.730 38.000 0.194 0.000 1.350 211 I HN 0.500 nan 8.210 nan 0.000 0.464 212 T N 4.280 118.878 114.554 0.073 0.000 2.595 212 T HA -0.084 4.266 4.350 -0.000 0.000 0.339 212 T C 0.068 174.802 174.700 0.056 0.000 1.059 212 T CA 0.097 62.229 62.100 0.054 0.000 1.035 212 T CB 0.487 69.383 68.868 0.046 0.000 1.003 212 T HN 0.562 nan 8.240 nan 0.000 0.540 213 D N -0.656 119.772 120.400 0.046 0.000 2.272 213 D HA 0.582 5.222 4.640 -0.000 0.000 0.247 213 D C -0.863 175.469 176.300 0.054 0.000 0.990 213 D CA -0.508 53.521 54.000 0.049 0.000 0.931 213 D CB 1.790 42.614 40.800 0.040 0.000 1.195 213 D HN 0.627 nan 8.370 nan 0.000 0.477 214 A N 1.876 124.733 122.820 0.061 0.000 2.515 214 A HA 0.328 4.648 4.320 -0.000 0.000 0.296 214 A C -0.297 177.335 177.584 0.080 0.000 1.094 214 A CA -0.718 51.358 52.037 0.066 0.000 0.718 214 A CB 1.317 20.355 19.000 0.063 0.000 1.307 214 A HN 0.517 nan 8.150 nan 0.000 0.408 215 N N 0.611 119.369 118.700 0.097 0.000 3.111 215 N HA 0.120 4.860 4.740 -0.000 0.000 0.302 215 N C -0.049 175.537 175.510 0.128 0.000 1.317 215 N CA 0.233 53.366 53.050 0.138 0.000 1.151 215 N CB -0.225 38.371 38.487 0.182 0.000 1.456 215 N HN 0.583 nan 8.380 nan 0.000 0.547 216 D N -1.377 119.072 120.400 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 0.240 118.957 118.700 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 -0.016 0.000 0.894 217 N CB 1.961 40.457 38.487 0.014 0.000 1.209 217 N HN 0.005 nan 8.380 nan 0.000 0.503 218 A N 1.467 124.200 122.820 -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 0.485 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 0.768 32.304 31.700 -0.273 0.000 0.961 220 I N 3.213 123.667 120.570 -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 60.326 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 5.030 125.008 119.950 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 58.451 58.000 0.085 0.000 1.164 221 F CB 0.191 39.263 39.000 0.121 0.000 1.049 221 F HN 0.507 nan 8.300 nan 0.000 0.552 222 D N 3.530 124.059 120.400 0.216 0.000 2.378 222 D HA 0.061 4.701 4.640 -0.000 0.000 0.227 222 D C -1.851 174.482 176.300 0.055 0.000 1.012 222 D CA 0.176 54.255 54.000 0.132 0.000 0.905 222 D CB -0.192 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 0.300 nan 4.420 nan 0.000 0.293 223 P C 0.021 177.313 177.300 -0.013 0.000 1.303 223 P CA -0.414 62.558 63.100 -0.213 0.000 0.972 223 P CB 2.217 33.371 31.700 -0.911 0.000 1.377 224 K N -0.769 119.592 120.400 -0.064 0.000 2.399 224 K HA 0.208 4.528 4.320 -0.000 0.000 0.196 224 K C -0.308 176.258 176.600 -0.056 0.000 1.117 224 K CA 0.731 56.992 56.287 -0.044 0.000 0.965 224 K CB 0.385 32.870 32.500 -0.026 0.000 0.983 224 K HN 0.507 nan 8.250 nan 0.000 0.531 225 T N -1.059 113.469 114.554 -0.043 0.000 2.949 225 T HA 0.477 4.827 4.350 -0.000 0.000 0.300 225 T C -0.684 174.031 174.700 0.026 0.000 0.988 225 T CA -0.811 61.298 62.100 0.015 0.000 0.993 225 T CB 0.416 69.271 68.868 -0.022 0.000 0.984 225 T HN 0.007 nan 8.240 nan 0.000 0.442 226 Y N 1.461 121.710 120.300 -0.085 0.000 2.618 226 Y HA 0.811 5.361 4.550 -0.000 0.000 0.326 226 Y C 1.093 176.960 175.900 -0.056 0.000 1.168 226 Y CA -0.967 57.094 58.100 -0.065 0.000 1.269 226 Y CB 2.280 40.696 38.460 -0.075 0.000 1.388 226 Y HN 0.902 nan 8.280 nan 0.000 0.528 227 T N -1.150 113.499 114.554 0.159 0.000 2.932 227 T HA 0.860 5.210 4.350 -0.000 0.000 0.318 227 T C -1.291 173.445 174.700 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 1.064 nan 8.240 nan 0.000 0.484 228 A N 1.879 124.720 122.820 0.035 0.000 2.612 228 A HA 0.816 5.136 4.320 -0.000 0.000 0.293 228 A C -1.642 175.967 177.584 0.042 0.000 1.075 228 A CA -1.018 51.038 52.037 0.032 0.000 0.680 228 A CB 1.313 20.313 19.000 0.000 0.000 1.279 228 A HN 0.962 nan 8.150 nan 0.000 0.411 229 L N 0.631 121.889 121.223 0.059 0.000 2.334 229 L HA 0.864 5.204 4.340 -0.000 0.000 0.270 229 L C -0.384 176.548 176.870 0.103 0.000 1.018 229 L CA -1.028 53.852 54.840 0.065 0.000 0.811 229 L CB 1.944 44.034 42.059 0.051 0.000 1.271 229 L HN 0.920 nan 8.230 nan 0.000 0.443 230 V N -0.350 119.607 119.914 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 -2.014 60.337 62.300 0.084 0.000 1.008 230 V CB 2.275 34.164 31.823 0.109 0.000 1.064 230 V HN 0.445 nan 8.190 nan 0.000 0.434 231 P HA 0.497 nan 4.420 nan 0.000 0.296 231 P C 0.456 177.636 177.300 -0.199 0.000 1.301 231 P CA -0.276 62.719 63.100 -0.175 0.000 0.862 231 P CB 1.914 33.465 31.700 -0.247 0.000 1.046 232 E N 1.918 122.000 120.200 -0.197 0.000 2.033 232 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 232 E C 0.077 176.573 176.600 -0.174 0.000 1.011 232 E CA 1.448 57.716 56.400 -0.219 0.000 0.815 232 E CB -0.012 29.590 29.700 -0.163 0.000 0.755 232 E HN 0.369 nan 8.360 nan 0.000 0.451 233 N N -0.503 118.113 118.700 -0.141 0.000 2.675 233 N HA 0.065 4.805 4.740 -0.000 0.000 0.254 233 N C -0.579 174.868 175.510 -0.105 0.000 1.224 233 N CA -0.056 52.928 53.050 -0.111 0.000 0.777 233 N CB 0.906 39.347 38.487 -0.076 0.000 1.256 233 N HN -0.014 nan 8.380 nan 0.000 0.531 234 E N 1.271 121.402 120.200 -0.115 0.000 2.940 234 E HA 0.137 4.487 4.350 -0.000 0.000 0.203 234 E C 0.572 177.130 176.600 -0.070 0.000 0.995 234 E CA -0.191 56.151 56.400 -0.097 0.000 1.396 234 E CB 0.767 30.388 29.700 -0.131 0.000 1.310 234 E HN 0.593 nan 8.360 nan 0.000 0.613 235 I N 0.778 121.299 120.570 -0.082 0.000 3.276 235 I HA -0.088 4.082 4.170 -0.000 0.000 0.341 235 I C -0.023 176.095 176.117 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 6.836 115.674 108.800 0.063 0.000 1.974 236 G HA2 0.469 4.429 3.960 -0.000 0.000 0.303 236 G HA3 0.469 4.429 3.960 -0.000 0.000 0.303 236 G C -1.327 173.678 174.900 0.175 0.000 2.080 236 G CA -0.249 44.893 45.100 0.070 0.000 0.896 236 G HN 1.202 nan 8.290 nan 0.000 0.514 237 F N 1.278 121.205 119.950 -0.037 0.000 2.665 237 F HA 0.699 5.226 4.527 -0.000 0.000 0.308 237 F C -0.466 175.323 175.800 -0.019 0.000 1.112 237 F CA -1.097 56.886 58.000 -0.029 0.000 0.972 237 F CB 1.597 40.575 39.000 -0.037 0.000 1.295 237 F HN 0.412 nan 8.300 nan 0.000 0.440 238 E N 3.922 123.659 120.200 -0.772 0.000 2.463 238 E HA 0.096 4.446 4.350 -0.000 0.000 0.248 238 E C 0.239 176.184 176.600 -1.091 0.000 1.106 238 E CA -0.005 55.941 56.400 -0.756 0.000 0.946 238 E CB 1.139 30.578 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 -0.047 4.073 4.120 -0.000 0.000 0.240 239 V C 0.318 176.255 176.094 -0.260 0.000 1.036 239 V CA 1.840 63.900 62.300 -0.400 0.000 1.008 239 V CB 0.216 31.916 31.823 -0.204 0.000 0.648 239 V HN 0.820 nan 8.190 nan 0.000 0.453 240 Q N -0.668 118.992 119.800 -0.234 0.000 2.435 240 Q HA 0.471 4.811 4.340 -0.000 0.000 0.282 240 Q C -0.982 174.891 176.000 -0.212 0.000 1.020 240 Q CA -0.618 55.080 55.803 -0.176 0.000 0.820 240 Q CB 1.747 30.394 28.738 -0.151 0.000 1.436 240 Q HN 0.482 nan 8.270 nan 0.000 0.395 241 R N 1.361 121.775 120.500 -0.143 0.000 2.720 241 R HA 0.745 5.085 4.340 -0.000 0.000 0.272 241 R C -0.939 175.279 176.300 -0.136 0.000 0.991 241 R CA -0.736 55.280 56.100 -0.140 0.000 1.010 241 R CB 1.069 31.332 30.300 -0.062 0.000 1.141 241 R HN 0.547 nan 8.270 nan 0.000 0.494 242 L N 0.026 121.157 121.223 -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 -0.460 54.361 54.840 -0.033 0.000 0.819 242 L CB 2.301 44.209 42.059 -0.250 0.000 1.339 242 L HN 0.532 nan 8.230 nan 0.000 0.420 243 S N 0.665 116.546 115.700 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 57.594 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 -1.060 118.851 119.914 -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 -0.969 61.253 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 -1.044 113.432 114.554 -0.131 0.000 3.176 245 T HA 0.440 4.790 4.350 -0.000 0.000 0.337 245 T C -0.992 173.665 174.700 -0.072 0.000 0.957 245 T CA -0.300 61.757 62.100 -0.071 0.000 1.092 245 T CB 0.742 69.617 68.868 0.011 0.000 1.018 245 T HN 1.081 nan 8.240 nan 0.000 0.473 246 D N 2.122 122.453 120.400 -0.116 0.000 2.312 246 D HA 0.334 4.974 4.640 -0.000 0.000 0.248 246 D C 0.297 176.673 176.300 0.127 0.000 1.086 246 D CA -0.694 53.280 54.000 -0.044 0.000 0.948 246 D CB 1.510 42.238 40.800 -0.120 0.000 1.162 246 D HN 0.388 nan 8.370 nan 0.000 0.446 247 L N 1.987 123.284 121.223 0.123 0.000 2.766 247 L HA 0.174 4.514 4.340 -0.000 0.000 0.242 247 L C 0.835 177.787 176.870 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 42.115 42.059 0.063 0.000 1.241 247 L HN 0.275 nan 8.230 nan 0.000 0.522 248 D N -0.416 120.086 120.400 0.171 0.000 2.289 248 D HA 0.040 4.680 4.640 -0.000 0.000 0.266 248 D C 0.394 176.759 176.300 0.109 0.000 1.243 248 D CA -0.268 53.810 54.000 0.130 0.000 1.019 248 D CB 0.380 41.261 40.800 0.134 0.000 1.126 248 D HN -0.054 nan 8.370 nan 0.000 0.541 249 M N 1.125 120.755 119.600 0.049 0.000 2.220 249 M HA 0.076 4.556 4.480 -0.000 0.000 0.343 249 M C -1.901 174.287 176.300 -0.186 0.000 1.470 249 M CA -1.224 54.038 55.300 -0.062 0.000 1.161 249 M CB 1.207 33.783 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 2.406 64.729 63.100 -1.296 0.000 0.995 250 P CB -0.168 30.927 31.700 -1.009 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 0.170 175.066 174.900 -0.006 0.000 1.141 251 G CA 0.489 45.496 45.100 -0.154 0.000 0.788 251 G HN 0.302 nan 8.290 nan 0.000 0.531 252 T N 0.797 115.365 114.554 0.024 0.000 2.907 252 T HA 0.341 4.691 4.350 -0.000 0.000 0.284 252 T C -1.844 172.959 174.700 0.171 0.000 1.004 252 T CA -1.178 60.975 62.100 0.088 0.000 1.063 252 T CB 2.153 71.056 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 0.502 177.845 177.300 0.073 0.000 1.162 253 P CA 0.328 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 -3.620 119.275 122.820 0.125 0.000 2.465 254 A HA 0.195 4.515 4.320 -0.000 0.000 0.255 254 A C 1.109 178.824 177.584 0.217 0.000 1.274 254 A CA -0.272 51.846 52.037 0.134 0.000 0.920 254 A CB -0.802 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 -0.871 120.426 121.300 -0.006 0.000 2.121 255 W HA 0.290 4.950 4.660 -0.000 0.000 0.275 255 W C 0.170 176.673 176.519 -0.027 0.000 0.903 255 W CA 0.122 57.459 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 2.362 122.191 119.800 0.049 0.000 2.274 256 Q HA 0.514 4.854 4.340 -0.000 0.000 0.256 256 Q C -0.268 175.615 176.000 -0.196 0.000 0.927 256 Q CA 0.026 55.781 55.803 -0.081 0.000 0.939 256 Q CB 1.581 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 3.498 126.139 122.820 -0.299 0.000 2.316 257 A HA 0.578 4.898 4.320 -0.000 0.000 0.284 257 A C -0.698 176.660 177.584 -0.377 0.000 1.115 257 A CA -0.442 51.346 52.037 -0.414 0.000 0.812 257 A CB 0.941 19.620 19.000 -0.534 0.000 1.064 257 A HN 0.510 nan 8.150 nan 0.000 0.489 258 V N 2.467 122.088 119.914 -0.488 0.000 2.638 258 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 258 V C -0.984 174.858 176.094 -0.420 0.000 1.052 258 V CA -0.277 61.843 62.300 -0.300 0.000 0.885 258 V CB 1.109 32.836 31.823 -0.161 0.000 0.999 258 V HN 0.911 nan 8.190 nan 0.000 0.424 259 Y N 3.053 123.348 120.300 -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 -1.005 57.106 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 0.351 120.903 120.400 0.252 0.000 2.976 260 K HA 0.188 4.508 4.320 -0.000 0.000 0.326 260 K C -1.863 174.803 176.600 0.111 0.000 1.180 260 K CA -0.707 55.661 56.287 0.136 0.000 0.936 260 K CB 0.010 32.567 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 0.335 4.505 4.170 -0.000 0.000 0.305 261 I C 0.883 177.034 176.117 0.056 0.000 1.008 261 I CA -0.671 60.658 61.300 0.048 0.000 1.273 261 I CB 1.060 39.085 38.000 0.042 0.000 1.432 261 I HN 0.753 nan 8.210 nan 0.000 0.557 262 R N 2.834 123.362 120.500 0.045 0.000 2.057 262 R HA 0.247 4.587 4.340 -0.000 0.000 0.224 262 R C -0.076 176.255 176.300 0.052 0.000 1.136 262 R CA 0.935 57.063 56.100 0.046 0.000 0.968 262 R CB -0.210 30.112 30.300 0.037 0.000 0.863 262 R HN 0.566 nan 8.270 nan 0.000 0.433 263 V N 2.430 122.381 119.914 0.062 0.000 2.483 263 V HA 0.218 4.338 4.120 -0.000 0.000 0.297 263 V C -0.542 175.626 176.094 0.122 0.000 1.027 263 V CA -0.898 61.449 62.300 0.077 0.000 0.855 263 V CB 1.912 33.779 31.823 0.073 0.000 0.995 263 V HN 0.171 nan 8.190 nan 0.000 0.424 264 N N 3.062 121.836 118.700 0.122 0.000 2.801 264 N HA 0.143 4.883 4.740 -0.000 0.000 0.235 264 N C 0.982 176.572 175.510 0.133 0.000 1.069 264 N CA -0.117 53.044 53.050 0.185 0.000 0.946 264 N CB 1.273 39.836 38.487 0.127 0.000 1.212 264 N HN 0.861 nan 8.380 nan 0.000 0.509 265 E N 2.610 122.981 120.200 0.284 0.000 2.160 265 E HA -0.219 4.131 4.350 -0.000 0.000 0.237 265 E C 1.176 177.686 176.600 -0.150 0.000 1.069 265 E CA 2.467 59.017 56.400 0.251 0.000 0.950 265 E CB -0.445 29.689 29.700 0.723 0.000 0.832 265 E HN 0.598 nan 8.360 nan 0.000 0.496 266 G N -2.384 105.813 108.800 -1.005 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 0.610 174.806 174.900 -1.175 0.000 1.060 266 G CA 0.213 44.457 45.100 -1.427 0.000 0.793 266 G HN 0.802 nan 8.290 nan 0.000 0.532 267 G N 0.800 109.195 108.800 -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 0.318 175.092 174.900 -0.210 0.000 1.055 267 G CA 0.347 45.292 45.100 -0.259 0.000 0.922 267 G HN 0.944 nan 8.290 nan 0.000 0.503 268 F N -1.765 118.094 119.950 -0.151 0.000 2.963 268 F HA 0.731 5.258 4.527 -0.000 0.000 0.321 268 F C 0.019 175.301 175.800 -0.864 0.000 1.234 268 F CA -1.451 56.288 58.000 -0.437 0.000 1.296 268 F CB 0.176 38.874 39.000 -0.503 0.000 0.981 268 F HN -0.036 nan 8.300 nan 0.000 0.507 269 F N 0.760 120.815 119.950 0.176 0.000 2.615 269 F HA 0.404 4.931 4.527 -0.000 0.000 0.312 269 F C -0.774 175.045 175.800 0.031 0.000 1.119 269 F CA -1.219 56.821 58.000 0.068 0.000 0.979 269 F CB 1.915 40.942 39.000 0.046 0.000 1.266 269 F HN -0.047 nan 8.300 nan 0.000 0.444 270 N N 2.342 121.167 118.700 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 40.886 38.487 0.061 0.000 1.501 270 N HN 0.726 nan 8.380 nan 0.000 0.474 271 I N 1.269 121.860 120.570 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 0.004 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 3.990 118.534 114.554 -0.017 0.000 2.919 272 T HA 0.600 4.950 4.350 -0.000 0.000 0.282 272 T C -0.472 174.248 174.700 0.033 0.000 1.020 272 T CA -0.515 61.598 62.100 0.021 0.000 0.994 272 T CB 1.807 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 0.710 121.138 120.400 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 42.872 40.800 0.024 0.000 1.544 274 D HN 0.035 nan 8.370 nan 0.000 0.543 275 P HA 0.085 nan 4.420 nan 0.000 0.238 275 P C -0.178 177.209 177.300 0.145 0.000 1.649 275 P CA 0.440 63.620 63.100 0.134 0.000 0.960 275 P CB -0.046 31.727 31.700 0.121 0.000 1.911 276 E N -1.838 118.438 120.200 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 0.706 116.478 115.700 0.120 0.000 2.901 277 S HA 0.139 4.609 4.470 -0.000 0.000 0.248 277 S C -0.621 173.937 174.600 -0.069 0.000 1.021 277 S CA 0.064 58.332 58.200 0.114 0.000 1.090 277 S CB -1.003 62.252 63.200 0.093 0.000 1.039 277 S HN 0.510 nan 8.310 nan 0.000 0.514 278 N N 1.345 120.001 118.700 -0.074 0.000 2.745 278 N HA -0.247 4.493 4.740 -0.000 0.000 0.271 278 N C -0.124 175.358 175.510 -0.048 0.000 0.960 278 N CA 0.418 53.401 53.050 -0.112 0.000 0.833 278 N CB -0.919 37.393 38.487 -0.292 0.000 0.919 278 N HN 0.586 nan 8.380 nan 0.000 0.566 279 Q N -0.034 119.764 119.800 -0.005 0.000 2.443 279 Q HA 0.236 4.576 4.340 -0.000 0.000 0.232 279 Q C 0.783 176.768 176.000 -0.025 0.000 1.026 279 Q CA 0.163 55.968 55.803 0.003 0.000 0.924 279 Q CB 0.802 29.537 28.738 -0.005 0.000 1.256 279 Q HN 0.538 nan 8.270 nan 0.000 0.519 280 G N 1.332 110.023 108.800 -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 0.545 nan 8.290 nan 0.000 0.420 281 I N 3.914 124.327 120.570 -0.262 0.000 2.330 281 I HA 0.408 4.578 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 60.352 61.300 -0.194 0.000 1.197 281 I CB 0.692 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 7.977 129.064 121.223 -0.227 0.000 2.343 282 L HA 0.651 4.991 4.340 -0.000 0.000 0.275 282 L C -0.191 176.591 176.870 -0.147 0.000 1.056 282 L CA -0.061 54.666 54.840 -0.188 0.000 0.804 282 L CB 1.635 43.544 42.059 -0.251 0.000 1.203 282 L HN 0.708 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 0.443 4.793 4.350 -0.000 0.000 0.296 283 T C -0.563 174.223 174.700 0.142 0.000 1.205 283 T CA -0.706 61.378 62.100 -0.026 0.000 1.009 283 T CB 1.535 70.374 68.868 -0.049 0.000 1.368 283 T HN 0.551 nan 8.240 nan 0.000 0.509 284 T N -0.065 114.534 114.554 0.075 0.000 2.771 284 T HA 0.654 5.004 4.350 -0.000 0.000 0.291 284 T C 1.393 176.060 174.700 -0.055 0.000 0.954 284 T CA -0.362 61.729 62.100 -0.015 0.000 1.045 284 T CB 1.282 70.141 68.868 -0.015 0.000 0.917 284 T HN 0.933 nan 8.240 nan 0.000 0.484 285 A N 3.335 126.073 122.820 -0.136 0.000 1.843 285 A HA 0.093 4.413 4.320 -0.000 0.000 0.213 285 A C 1.232 178.789 177.584 -0.044 0.000 1.202 285 A CA 0.516 52.519 52.037 -0.057 0.000 0.607 285 A CB -0.178 18.800 19.000 -0.037 0.000 0.847 285 A HN 0.879 nan 8.150 nan 0.000 0.445 286 K N -0.919 119.447 120.400 -0.056 0.000 3.029 286 K HA 0.488 4.808 4.320 -0.000 0.000 0.169 286 K C 0.357 176.938 176.600 -0.030 0.000 1.090 286 K CA -0.197 56.081 56.287 -0.015 0.000 0.883 286 K CB 0.027 32.543 32.500 0.027 0.000 1.080 286 K HN 0.813 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 -0.368 174.440 174.900 -0.153 0.000 1.436 287 G CA 0.106 45.149 45.100 -0.095 0.000 0.949 287 G HN 0.384 nan 8.290 nan 0.000 0.556 288 L N -1.977 119.124 121.223 -0.203 0.000 2.563 288 L HA 0.890 5.230 4.340 -0.000 0.000 0.255 288 L C 0.585 177.351 176.870 -0.172 0.000 1.444 288 L CA 0.059 54.714 54.840 -0.309 0.000 1.526 288 L CB 1.452 43.121 42.059 -0.651 0.000 1.929 288 L HN 0.697 nan 8.230 nan 0.000 0.563 289 D N -1.371 118.854 120.400 -0.291 0.000 3.244 289 D HA 0.194 4.834 4.640 -0.000 0.000 0.292 289 D C -1.086 175.327 176.300 0.187 0.000 1.652 289 D CA -0.134 53.922 54.000 0.093 0.000 0.803 289 D CB 0.263 41.283 40.800 0.366 0.000 1.390 289 D HN 0.335 nan 8.370 nan 0.000 0.528 290 F N -1.911 118.042 119.950 0.005 0.000 2.817 290 F HA 0.677 5.204 4.527 -0.000 0.000 0.317 290 F C 0.172 175.985 175.800 0.022 0.000 1.168 290 F CA -1.009 57.003 58.000 0.019 0.000 0.911 290 F CB 0.844 39.863 39.000 0.032 0.000 1.337 290 F HN -0.283 nan 8.300 nan 0.000 0.464 291 E N 0.113 120.554 120.200 0.401 0.000 2.630 291 E HA 0.397 4.747 4.350 -0.000 0.000 0.218 291 E C 0.917 177.622 176.600 0.175 0.000 0.977 291 E CA 0.115 56.645 56.400 0.218 0.000 1.038 291 E CB 0.617 30.400 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 0.487 177.193 176.870 -0.274 0.000 1.068 292 L CA 0.489 55.176 54.840 -0.255 0.000 0.811 292 L CB 0.345 41.984 42.059 -0.701 0.000 0.989 292 L HN -0.082 nan 8.230 nan 0.000 0.467 293 R N -0.568 119.909 120.500 -0.039 0.000 2.668 293 R HA 0.281 4.621 4.340 -0.000 0.000 0.272 293 R C -0.300 176.275 176.300 0.459 0.000 1.019 293 R CA -0.432 55.762 56.100 0.157 0.000 0.894 293 R CB 2.256 32.525 30.300 -0.053 0.000 1.228 293 R HN -0.180 nan 8.270 nan 0.000 0.460 294 K N 0.357 120.852 120.400 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 0.415 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 0.123 119.872 119.800 -0.085 0.000 2.245 295 Q HA 0.268 4.608 4.340 -0.000 0.000 0.256 295 Q C -1.549 174.182 176.000 -0.449 0.000 0.942 295 Q CA -0.625 55.097 55.803 -0.135 0.000 0.896 295 Q CB 1.643 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 0.481 120.809 120.300 0.048 0.000 2.317 296 Y HA 0.258 4.808 4.550 -0.000 0.000 0.329 296 Y C -0.826 175.064 175.900 -0.018 0.000 1.101 296 Y CA -0.652 57.467 58.100 0.032 0.000 1.228 296 Y CB 1.554 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 6.444 126.412 119.914 0.091 0.000 2.311 297 V HA 0.523 4.643 4.120 -0.000 0.000 0.275 297 V C -0.404 175.714 176.094 0.041 0.000 1.022 297 V CA -0.481 61.843 62.300 0.040 0.000 0.830 297 V CB 0.635 32.467 31.823 0.015 0.000 1.012 297 V HN 0.567 nan 8.190 nan 0.000 0.452 298 L N 3.216 124.438 121.223 -0.002 0.000 2.350 298 L HA 0.812 5.152 4.340 -0.000 0.000 0.260 298 L C -0.910 175.925 176.870 -0.057 0.000 1.015 298 L CA -0.942 53.885 54.840 -0.022 0.000 0.821 298 L CB 2.332 44.353 42.059 -0.063 0.000 1.370 298 L HN 0.371 nan 8.230 nan 0.000 0.416 299 Q N 1.407 121.181 119.800 -0.042 0.000 2.375 299 Q HA 0.710 5.050 4.340 -0.000 0.000 0.271 299 Q C -1.624 174.357 176.000 -0.031 0.000 1.074 299 Q CA -0.705 55.065 55.803 -0.055 0.000 0.808 299 Q CB 3.312 32.031 28.738 -0.031 0.000 1.327 299 Q HN 0.483 nan 8.270 nan 0.000 0.441 300 I N 1.420 121.965 120.570 -0.041 0.000 2.466 300 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 300 I C 0.011 176.243 176.117 0.192 0.000 1.026 300 I CA -0.290 61.053 61.300 0.071 0.000 1.078 300 I CB 2.076 40.118 38.000 0.071 0.000 1.249 300 I HN 0.611 nan 8.210 nan 0.000 0.429 301 T N 3.026 117.714 114.554 0.223 0.000 2.934 301 T HA 0.779 5.129 4.350 -0.000 0.000 0.283 301 T C -0.449 174.409 174.700 0.263 0.000 1.005 301 T CA -0.828 61.424 62.100 0.255 0.000 1.041 301 T CB 1.942 70.897 68.868 0.145 0.000 1.042 301 T HN 0.397 nan 8.240 nan 0.000 0.505 302 V N 1.536 121.548 119.914 0.162 0.000 2.588 302 V HA 0.600 4.720 4.120 -0.000 0.000 0.304 302 V C -0.937 175.078 176.094 -0.132 0.000 1.042 302 V CA -0.570 61.618 62.300 -0.187 0.000 0.877 302 V CB 1.548 33.107 31.823 -0.440 0.000 0.996 302 V HN 1.116 nan 8.190 nan 0.000 0.425 303 E N 4.407 124.499 120.200 -0.180 0.000 2.447 303 E HA 0.531 4.881 4.350 -0.000 0.000 0.251 303 E C -0.998 175.523 176.600 -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 -1.202 117.430 118.700 -0.114 0.000 2.525 304 N HA 0.375 5.115 4.740 -0.000 0.000 0.288 304 N C 0.301 175.712 175.510 -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 0.505 178.014 177.584 -0.126 0.000 1.181 305 A CA 1.198 53.176 52.037 -0.099 0.000 0.620 305 A CB -0.520 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 0.613 120.736 120.200 -0.128 0.000 2.231 306 E HA 0.498 4.848 4.350 -0.000 0.000 0.277 306 E C -2.745 173.691 176.600 -0.273 0.000 0.999 306 E CA -2.379 53.936 56.400 -0.142 0.000 0.827 306 E CB 0.483 30.139 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 -1.053 176.011 177.300 -0.394 0.000 1.243 307 P CA 0.149 63.002 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 -1.355 118.593 119.950 -0.005 0.000 2.422 308 F HA 0.233 4.760 4.527 -0.000 0.000 0.333 308 F C 1.371 177.173 175.800 0.003 0.000 1.095 308 F CA -0.314 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 0.552 116.387 115.700 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 0.392 nan 8.310 nan 0.000 0.519 310 V N 0.836 120.829 119.914 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 -1.889 60.451 62.300 0.066 0.000 1.006 310 V CB 2.109 33.948 31.823 0.026 0.000 1.244 310 V HN -0.031 nan 8.190 nan 0.000 0.458 311 P HA 0.572 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 0.482 32.187 31.700 0.008 0.000 0.881 312 L N 3.144 124.281 121.223 -0.143 0.000 2.491 312 L HA 0.562 4.902 4.340 -0.000 0.000 0.254 312 L C -2.282 174.477 176.870 -0.185 0.000 1.048 312 L CA -1.843 52.854 54.840 -0.239 0.000 0.855 312 L CB 2.308 44.054 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 -1.097 176.154 177.300 -0.083 0.000 1.300 313 P CA -0.332 62.716 63.100 -0.086 0.000 0.792 313 P CB 1.120 32.787 31.700 -0.055 0.000 0.925 314 T N 1.674 116.215 114.554 -0.021 0.000 2.779 314 T HA 0.212 4.562 4.350 -0.000 0.000 0.296 314 T C 0.358 175.100 174.700 0.070 0.000 0.938 314 T CA 0.220 62.340 62.100 0.033 0.000 1.119 314 T CB 0.154 69.066 68.868 0.074 0.000 0.891 314 T HN 0.263 nan 8.240 nan 0.000 0.526 315 S N 2.788 118.558 115.700 0.117 0.000 2.530 315 S HA 0.462 4.932 4.470 -0.000 0.000 0.322 315 S C 0.406 175.249 174.600 0.404 0.000 1.085 315 S CA -0.857 57.466 58.200 0.206 0.000 1.096 315 S CB 0.738 64.058 63.200 0.201 0.000 0.988 315 S HN 0.778 nan 8.310 nan 0.000 0.466 316 T N 2.532 117.202 114.554 0.194 0.000 2.882 316 T HA 0.671 5.021 4.350 -0.000 0.000 0.287 316 T C -0.017 174.476 174.700 -0.346 0.000 1.014 316 T CA -0.770 61.345 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 1.717 124.187 122.820 -0.584 0.000 2.343 317 A HA 0.640 4.960 4.320 -0.000 0.000 0.308 317 A C 0.121 177.522 177.584 -0.304 0.000 1.092 317 A CA -0.926 50.686 52.037 -0.709 0.000 0.751 317 A CB 0.757 18.999 19.000 -1.265 0.000 1.203 317 A HN 0.774 nan 8.150 nan 0.000 0.452 318 T N 1.334 115.783 114.554 -0.176 0.000 2.744 318 T HA 0.567 4.917 4.350 -0.000 0.000 0.291 318 T C -0.286 174.379 174.700 -0.058 0.000 0.957 318 T CA -0.464 61.579 62.100 -0.096 0.000 1.002 318 T CB 1.110 69.943 68.868 -0.059 0.000 0.919 318 T HN 0.456 nan 8.240 nan 0.000 0.468 319 V N 2.838 122.710 119.914 -0.070 0.000 2.789 319 V HA 0.538 4.658 4.120 -0.000 0.000 0.311 319 V C -0.042 176.032 176.094 -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 0.995 nan 8.190 nan 0.000 0.426 320 T N 3.945 118.499 114.554 -0.000 0.000 2.770 320 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 320 T C -0.495 174.227 174.700 0.037 0.000 0.988 320 T CA -0.271 61.844 62.100 0.025 0.000 0.957 320 T CB 1.318 70.203 68.868 0.028 0.000 0.930 320 T HN 0.393 nan 8.240 nan 0.000 0.443 321 V N 3.212 123.178 119.914 0.086 0.000 2.715 321 V HA 0.702 4.822 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 2.173 34.047 31.823 0.085 0.000 1.007 321 V HN 0.895 nan 8.190 nan 0.000 0.437 322 T N 2.398 117.023 114.554 0.117 0.000 2.879 322 T HA 0.471 4.821 4.350 -0.000 0.000 0.290 322 T C -0.571 174.175 174.700 0.075 0.000 0.993 322 T CA -0.398 61.765 62.100 0.104 0.000 0.975 322 T CB 1.655 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 4.021 123.975 119.914 0.067 0.000 2.368 323 V HA 0.249 4.369 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 61.582 62.300 -0.020 0.000 0.899 323 V CB 0.373 32.122 31.823 -0.125 0.000 1.006 323 V HN 0.828 nan 8.190 nan 0.000 0.470 324 E N 2.688 122.866 120.200 -0.037 0.000 2.392 324 E HA 0.194 4.544 4.350 -0.000 0.000 0.259 324 E C -0.668 175.901 176.600 -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 0.778 121.157 120.400 -0.036 0.000 2.185 325 D HA 0.333 4.973 4.640 -0.000 0.000 0.247 325 D C -1.675 174.600 176.300 -0.041 0.000 1.027 325 D CA -0.545 53.434 54.000 -0.034 0.000 0.861 325 D CB 1.646 42.440 40.800 -0.010 0.000 1.202 325 D HN 0.113 nan 8.370 nan 0.000 0.453 326 V N 3.645 123.532 119.914 -0.045 0.000 2.769 326 V HA 0.529 4.649 4.120 -0.000 0.000 0.312 326 V C -1.180 174.897 176.094 -0.029 0.000 1.061 326 V CA -0.797 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 -0.631 174.868 175.510 -0.018 0.000 0.985 327 N CA -0.283 52.757 53.050 -0.017 0.000 0.921 327 N CB 1.716 40.191 38.487 -0.019 0.000 1.149 327 N HN 0.793 nan 8.380 nan 0.000 0.492 328 E N 0.890 121.087 120.200 -0.004 0.000 2.250 328 E HA 0.638 4.988 4.350 -0.000 0.000 0.265 328 E C -0.158 176.442 176.600 0.000 0.000 1.033 328 E CA -0.871 55.528 56.400 -0.002 0.000 0.888 328 E CB 0.794 30.502 29.700 0.014 0.000 1.151 328 E HN 0.626 nan 8.360 nan 0.000 0.412 329 A N 2.012 124.828 122.820 -0.006 0.000 2.507 329 A HA 0.311 4.631 4.320 -0.000 0.000 0.235 329 A C -2.132 175.465 177.584 0.022 0.000 1.070 329 A CA -0.726 51.298 52.037 -0.021 0.000 0.768 329 A CB -0.502 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 0.662 nan 4.420 nan 0.000 0.284 330 P C -0.903 176.360 177.300 -0.060 0.000 1.292 330 P CA -0.269 62.761 63.100 -0.117 0.000 0.800 330 P CB 0.498 32.062 31.700 -0.226 0.000 1.188 331 F N -2.921 116.929 119.950 -0.166 0.000 2.615 331 F HA 0.602 5.129 4.527 -0.000 0.000 0.312 331 F C -1.076 174.658 175.800 -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 1.566 121.624 119.950 0.179 0.000 2.490 332 F HA 0.387 4.914 4.527 -0.000 0.000 0.336 332 F C 1.537 177.484 175.800 0.244 0.000 1.178 332 F CA -0.556 57.527 58.000 0.138 0.000 1.301 332 F CB 0.142 39.226 39.000 0.139 0.000 1.175 332 F HN 0.491 nan 8.300 nan 0.000 0.593 333 V N -0.737 119.405 119.914 0.380 0.000 2.251 333 V HA -0.034 4.086 4.120 -0.000 0.000 0.230 333 V C -1.321 174.954 176.094 0.301 0.000 1.032 333 V CA 0.462 62.977 62.300 0.358 0.000 0.997 333 V CB -2.178 29.782 31.823 0.228 0.000 0.643 333 V HN 0.596 nan 8.190 nan 0.000 0.462 334 P HA 0.559 nan 4.420 nan 0.000 0.323 334 P C -1.058 176.342 177.300 0.168 0.000 1.309 334 P CA -0.126 63.068 63.100 0.156 0.000 0.739 334 P CB 0.309 32.069 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 0.491 4.811 4.320 -0.000 0.000 0.305 335 A C -0.801 176.813 177.584 0.049 0.000 1.213 335 A CA -0.571 51.520 52.037 0.089 0.000 0.745 335 A CB 0.004 19.055 19.000 0.084 0.000 1.161 335 A HN 0.211 nan 8.150 nan 0.000 0.445 336 V N 1.338 121.268 119.914 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 62.309 62.300 0.016 0.000 1.002 336 V CB 0.957 32.779 31.823 -0.003 0.000 1.000 336 V HN 0.731 nan 8.190 nan 0.000 0.477 337 S N 4.549 120.266 115.700 0.028 0.000 3.158 337 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 337 S C 0.822 175.450 174.600 0.047 0.000 1.359 337 S CA -0.494 57.729 58.200 0.038 0.000 0.974 337 S CB -0.176 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 1.937 122.464 120.500 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 0.650 56.775 56.100 0.041 0.000 1.088 338 R CB -0.146 30.168 30.300 0.022 0.000 0.959 338 R HN 0.477 nan 8.270 nan 0.000 0.469 339 V N 2.528 122.475 119.914 0.055 0.000 2.341 339 V HA 0.166 4.286 4.120 -0.000 0.000 0.248 339 V C -1.208 174.929 176.094 0.072 0.000 1.107 339 V CA -0.377 61.954 62.300 0.052 0.000 1.069 339 V CB 0.319 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 3.705 124.128 120.400 0.039 0.000 2.416 340 D HA 0.305 4.945 4.640 -0.000 0.000 0.240 340 D C -0.152 176.117 176.300 -0.052 0.000 1.250 340 D CA 0.513 54.493 54.000 -0.034 0.000 0.967 340 D CB 1.284 41.988 40.800 -0.159 0.000 1.059 340 D HN 0.499 nan 8.370 nan 0.000 0.512 341 V N 1.809 121.718 119.914 -0.008 0.000 2.628 341 V HA 0.536 4.656 4.120 -0.000 0.000 0.306 341 V C 0.040 176.117 176.094 -0.027 0.000 1.045 341 V CA -0.680 61.608 62.300 -0.019 0.000 0.905 341 V CB 2.016 33.838 31.823 -0.002 0.000 0.997 341 V HN 0.523 nan 8.190 nan 0.000 0.436 342 S N 3.347 119.020 115.700 -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 0.388 58.558 58.200 -0.049 0.000 0.998 342 S CB 1.198 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 0.208 120.364 120.200 -0.073 0.000 2.204 343 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 343 E C 0.923 177.453 176.600 -0.117 0.000 0.990 343 E CA 1.270 57.604 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 0.299 176.552 176.300 -0.080 0.000 1.049 344 D CA -0.021 53.933 54.000 -0.077 0.000 0.907 344 D CB -0.051 40.715 40.800 -0.057 0.000 0.891 344 D HN 0.120 nan 8.370 nan 0.000 0.531 345 L N 1.241 122.408 121.223 -0.093 0.000 2.525 345 L HA 0.012 4.352 4.340 -0.000 0.000 0.278 345 L C 0.223 177.042 176.870 -0.085 0.000 1.218 345 L CA -0.216 54.574 54.840 -0.084 0.000 0.878 345 L CB 0.486 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 4.560 120.222 115.700 -0.063 0.000 2.430 346 S HA 0.131 4.601 4.470 -0.000 0.000 0.282 346 S C 0.298 174.867 174.600 -0.052 0.000 1.186 346 S CA -0.780 57.387 58.200 -0.055 0.000 1.060 346 S CB 0.452 63.627 63.200 -0.041 0.000 0.966 346 S HN 0.635 nan 8.310 nan 0.000 0.501 347 R N 2.879 123.345 120.500 -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 1.113 57.185 56.100 -0.046 0.000 1.007 347 R CB -1.333 28.941 30.300 -0.043 0.000 0.929 347 R HN 1.182 nan 8.270 nan 0.000 0.372 348 G N 2.843 111.628 108.800 -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 -0.924 173.963 174.900 -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 0.363 120.549 120.200 -0.023 0.000 2.293 349 E HA 0.311 4.661 4.350 -0.000 0.000 0.270 349 E C 0.064 176.651 176.600 -0.022 0.000 0.879 349 E CA -0.840 55.546 56.400 -0.024 0.000 0.756 349 E CB 1.487 31.169 29.700 -0.030 0.000 1.208 349 E HN 0.343 nan 8.360 nan 0.000 0.428 350 K N 2.897 123.283 120.400 -0.023 0.000 2.402 350 K HA 0.064 4.385 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 0.397 56.670 56.287 -0.024 0.000 1.080 350 K CB 0.510 32.995 32.500 -0.025 0.000 0.899 350 K HN 0.409 nan 8.250 nan 0.000 0.469 351 I N 2.979 123.539 120.570 -0.017 0.000 3.098 351 I HA 0.042 4.212 4.170 -0.000 0.000 0.241 351 I C 0.842 176.951 176.117 -0.013 0.000 1.081 351 I CA 0.275 61.571 61.300 -0.008 0.000 1.487 351 I CB 0.363 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 -0.350 120.206 120.570 -0.023 0.000 2.493 352 I HA 0.345 4.515 4.170 -0.000 0.000 0.279 352 I C -0.637 175.445 176.117 -0.058 0.000 1.045 352 I CA -0.675 60.604 61.300 -0.035 0.000 1.106 352 I CB 1.431 39.409 38.000 -0.036 0.000 1.216 352 I HN -0.051 nan 8.210 nan 0.000 0.459 353 S N 7.292 122.960 115.700 -0.054 0.000 2.405 353 S HA 0.609 5.079 4.470 -0.000 0.000 0.291 353 S C -0.131 174.425 174.600 -0.074 0.000 1.137 353 S CA -0.719 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 53.387 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 0.472 nan 8.230 nan 0.000 0.438 355 V N -3.117 116.808 119.914 0.018 0.000 3.049 355 V HA 1.061 5.181 4.120 -0.000 0.000 0.309 355 V C -0.406 175.815 176.094 0.212 0.000 1.148 355 V CA -0.367 61.993 62.300 0.100 0.000 0.990 355 V CB 1.022 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 1.981 124.959 122.820 0.263 0.000 2.423 356 A HA 0.924 5.244 4.320 -0.000 0.000 0.304 356 A C -0.879 176.607 177.584 -0.163 0.000 1.104 356 A CA -0.798 51.308 52.037 0.115 0.000 0.757 356 A CB 2.175 21.297 19.000 0.204 0.000 1.313 356 A HN 0.866 nan 8.150 nan 0.000 0.423 357 Q N 0.579 120.017 119.800 -0.603 0.000 2.387 357 Q HA 0.399 4.739 4.340 -0.000 0.000 0.273 357 Q C -1.742 173.710 176.000 -0.914 0.000 1.089 357 Q CA -0.566 54.806 55.803 -0.719 0.000 0.824 357 Q CB 2.772 31.093 28.738 -0.696 0.000 1.367 357 Q HN 0.833 nan 8.270 nan 0.000 0.443 358 D N 1.986 122.144 120.400 -0.403 0.000 2.649 358 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 358 D C -1.699 174.591 176.300 -0.017 0.000 1.112 358 D CA -1.769 52.122 54.000 -0.182 0.000 0.850 358 D CB 2.228 42.953 40.800 -0.125 0.000 1.399 358 D HN 0.193 nan 8.370 nan 0.000 0.503 359 P HA -0.171 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 0.937 64.117 63.100 0.133 0.000 0.938 359 P CB -0.365 31.421 31.700 0.143 0.000 0.777 360 D N 1.583 122.012 120.400 0.049 0.000 2.899 360 D HA -0.057 4.583 4.640 -0.000 0.000 0.254 360 D C 0.670 176.986 176.300 0.027 0.000 1.320 360 D CA 0.543 54.564 54.000 0.035 0.000 0.929 360 D CB -0.495 40.316 40.800 0.018 0.000 1.148 360 D HN 0.180 nan 8.370 nan 0.000 0.571 361 K N 3.024 123.444 120.400 0.034 0.000 2.110 361 K HA -0.032 4.288 4.320 -0.000 0.000 0.260 361 K C 0.152 176.765 176.600 0.021 0.000 1.126 361 K CA 0.124 56.426 56.287 0.026 0.000 1.005 361 K CB 0.234 32.752 32.500 0.030 0.000 1.336 361 K HN 0.605 nan 8.250 nan 0.000 0.369 362 Q N 2.681 122.489 119.800 0.014 0.000 1.752 362 Q HA -0.033 4.307 4.340 -0.000 0.000 0.169 362 Q C -0.568 175.435 176.000 0.004 0.000 0.747 362 Q CA -0.180 55.629 55.803 0.009 0.000 0.814 362 Q CB 0.472 29.215 28.738 0.008 0.000 1.218 362 Q HN 0.569 nan 8.270 nan 0.000 0.384 363 Q N 1.730 121.532 119.800 0.004 0.000 2.851 363 Q HA -0.066 4.274 4.340 -0.000 0.000 0.319 363 Q C -0.297 175.701 176.000 -0.002 0.000 1.225 363 Q CA 1.046 56.848 55.803 -0.003 0.000 1.110 363 Q CB -0.565 28.172 28.738 -0.002 0.000 1.128 363 Q HN 0.466 nan 8.270 nan 0.000 0.440 364 I N 0.870 121.437 120.570 -0.005 0.000 2.816 364 I HA 0.184 4.354 4.170 -0.000 0.000 0.279 364 I C -1.646 174.467 176.117 -0.008 0.000 1.662 364 I CA -0.337 60.961 61.300 -0.004 0.000 0.785 364 I CB 0.727 38.726 38.000 -0.001 0.000 1.738 364 I HN 0.329 nan 8.210 nan 0.000 0.561 365 Q N 2.062 121.854 119.800 -0.013 0.000 2.418 365 Q HA 0.546 4.886 4.340 -0.000 0.000 0.240 365 Q C -1.424 174.558 176.000 -0.029 0.000 0.859 365 Q CA -0.885 54.905 55.803 -0.021 0.000 0.916 365 Q CB 1.435 30.157 28.738 -0.026 0.000 1.448 365 Q HN 0.469 nan 8.270 nan 0.000 0.439 366 K N 2.084 122.469 120.400 -0.025 0.000 2.288 366 K HA 0.786 5.106 4.320 -0.000 0.000 0.234 366 K C -0.878 175.687 176.600 -0.058 0.000 1.037 366 K CA -0.800 55.465 56.287 -0.036 0.000 0.914 366 K CB 1.037 33.530 32.500 -0.010 0.000 1.197 366 K HN 0.644 nan 8.250 nan 0.000 0.471 367 L N -1.887 119.276 121.223 -0.101 0.000 2.230 367 L HA 0.708 5.048 4.340 -0.000 0.000 0.255 367 L C -1.012 175.771 176.870 -0.146 0.000 1.039 367 L CA -0.768 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 -1.290 173.425 174.600 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 0.395 0.000 1.021 368 S HN 0.455 nan 8.310 nan 0.000 0.483 369 Y N 2.041 122.488 120.300 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 -0.740 57.528 58.100 0.279 0.000 1.196 369 Y CB 0.282 38.836 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 -0.213 175.674 175.800 0.144 0.000 1.076 370 F CA -1.306 56.778 58.000 0.140 0.000 0.928 370 F CB 0.982 40.036 39.000 0.089 0.000 1.189 370 F HN 0.218 nan 8.300 nan 0.000 0.465 371 I N 0.351 121.071 120.570 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 -0.305 61.091 61.300 0.160 0.000 0.968 371 I CB 1.240 39.286 38.000 0.077 0.000 1.418 371 I HN 0.691 nan 8.210 nan 0.000 0.614 372 G N 0.506 109.361 108.800 0.091 0.000 4.120 372 G HA2 0.014 3.974 3.960 -0.000 0.000 0.195 372 G HA3 0.014 3.974 3.960 -0.000 0.000 0.195 372 G C 0.415 175.327 174.900 0.019 0.000 1.420 372 G CA -0.201 44.940 45.100 0.069 0.000 0.981 372 G HN 0.530 nan 8.290 nan 0.000 0.496 373 N N 0.973 119.672 118.700 -0.003 0.000 2.229 373 N HA 0.233 4.973 4.740 -0.000 0.000 0.242 373 N C -0.045 175.417 175.510 -0.079 0.000 1.327 373 N CA 1.020 54.044 53.050 -0.044 0.000 0.896 373 N CB 0.414 38.860 38.487 -0.069 0.000 1.129 373 N HN 0.402 nan 8.380 nan 0.000 0.490 374 D N -2.129 118.202 120.400 -0.115 0.000 2.738 374 D HA 0.147 4.787 4.640 -0.000 0.000 0.345 374 D C -2.367 173.820 176.300 -0.189 0.000 1.465 374 D CA -0.376 53.541 54.000 -0.138 0.000 0.935 374 D CB -1.178 39.569 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 0.123 177.099 177.300 -0.541 0.000 1.212 375 P CA 0.322 63.206 63.100 -0.361 0.000 0.788 375 P CB 0.496 31.880 31.700 -0.527 0.000 0.865 376 A N 2.318 124.772 122.820 -0.611 0.000 2.587 376 A HA -0.071 4.249 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 0.021 51.760 52.037 -0.497 0.000 0.754 376 A CB -0.466 18.415 19.000 -0.199 0.000 0.968 376 A HN 0.627 nan 8.150 nan 0.000 0.509 377 R N 1.741 122.040 120.500 -0.334 0.000 4.237 377 R HA -0.168 4.172 4.340 -0.000 0.000 0.171 377 R C -0.301 176.049 176.300 0.084 0.000 0.417 377 R CA 1.032 57.049 56.100 -0.137 0.000 0.895 377 R CB -0.221 30.072 30.300 -0.012 0.000 1.009 377 R HN 0.834 nan 8.270 nan 0.000 0.271 378 W N 4.068 125.344 121.300 -0.040 0.000 4.409 378 W HA 0.118 4.778 4.660 -0.000 0.000 0.188 378 W C 0.506 177.008 176.519 -0.029 0.000 2.080 378 W CA -0.154 57.161 57.345 -0.049 0.000 2.369 378 W CB -1.220 28.191 29.460 -0.082 0.000 1.412 378 W HN 0.360 nan 8.180 nan 0.000 0.720 379 L N 1.898 123.306 121.223 0.309 0.000 2.516 379 L HA 0.469 4.809 4.340 -0.000 0.000 0.288 379 L C -0.034 176.887 176.870 0.084 0.000 1.246 379 L CA 0.840 55.779 54.840 0.164 0.000 0.844 379 L CB -0.462 41.692 42.059 0.158 0.000 1.106 379 L HN -0.151 nan 8.230 nan 0.000 0.509 380 T N 0.609 115.193 114.554 0.049 0.000 3.012 380 T HA 0.505 4.855 4.350 -0.000 0.000 0.330 380 T C -0.640 174.056 174.700 -0.006 0.000 1.321 380 T CA -0.648 61.463 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 0.716 nan 8.240 nan 0.000 0.479 381 V N 1.087 120.991 119.914 -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 33.565 31.823 -0.016 0.000 0.992 381 V HN 0.874 nan 8.190 nan 0.000 0.449 382 N N 3.396 122.059 118.700 -0.062 0.000 2.414 382 N HA 0.277 5.017 4.740 -0.000 0.000 0.256 382 N C 0.544 176.037 175.510 -0.028 0.000 1.029 382 N CA -0.370 52.648 53.050 -0.053 0.000 0.948 382 N CB 1.614 40.065 38.487 -0.060 0.000 1.102 382 N HN 0.818 nan 8.380 nan 0.000 0.496 383 K N 1.745 122.134 120.400 -0.018 0.000 2.217 383 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 383 K C -0.055 176.703 176.600 0.263 0.000 1.051 383 K CA 0.955 57.275 56.287 0.056 0.000 0.952 383 K CB 0.360 32.748 32.500 -0.187 0.000 0.736 383 K HN 0.588 nan 8.250 nan 0.000 0.453 384 D N -0.141 120.351 120.400 0.154 0.000 2.358 384 D HA 0.008 4.648 4.640 -0.000 0.000 0.224 384 D C 0.231 176.643 176.300 0.187 0.000 1.123 384 D CA 0.327 54.439 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 -0.131 118.629 118.700 0.101 0.000 1.958 385 N HA 0.050 4.790 4.740 -0.000 0.000 0.223 385 N C 0.285 175.546 175.510 -0.416 0.000 1.395 385 N CA 0.002 53.009 53.050 -0.072 0.000 0.737 385 N CB 0.818 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 0.616 45.058 45.100 -1.096 0.000 1.289 386 G HN 0.383 nan 8.290 nan 0.000 0.403 387 I N 0.680 121.094 120.570 -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 2.127 40.061 38.000 -0.111 0.000 1.242 387 I HN -0.031 nan 8.210 nan 0.000 0.439 388 V N 5.088 124.948 119.914 -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 32.769 31.823 -0.051 0.000 1.002 388 V HN 0.889 nan 8.190 nan 0.000 0.464 389 T N 1.648 116.193 114.554 -0.016 0.000 2.937 389 T HA 0.758 5.108 4.350 -0.000 0.000 0.283 389 T C 0.214 174.922 174.700 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 0.810 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 0.001 0.000 1.328 390 G CA -0.824 44.287 45.100 0.018 0.000 1.034 390 G HN 0.807 nan 8.290 nan 0.000 0.518 391 N N 0.764 119.483 118.700 0.032 0.000 2.482 391 N HA 0.717 5.457 4.740 -0.000 0.000 0.279 391 N C 0.575 176.087 175.510 0.003 0.000 1.182 391 N CA 0.210 53.270 53.050 0.017 0.000 0.969 391 N CB 1.749 40.260 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 -1.027 173.749 174.900 -0.207 0.000 1.344 392 G CA -0.818 44.234 45.100 -0.080 0.000 0.855 392 G HN 0.738 nan 8.290 nan 0.000 0.537 393 N N -0.781 117.776 118.700 -0.237 0.000 2.421 393 N HA 0.688 5.428 4.740 -0.000 0.000 0.285 393 N C 0.011 175.220 175.510 -0.500 0.000 1.027 393 N CA -0.728 52.161 53.050 -0.268 0.000 0.918 393 N CB 0.719 39.123 38.487 -0.138 0.000 1.152 393 N HN 0.584 nan 8.380 nan 0.000 0.485 394 L N 1.683 122.577 121.223 -0.550 0.000 2.260 394 L HA 0.644 4.984 4.340 -0.000 0.000 0.265 394 L C -0.682 175.969 176.870 -0.365 0.000 1.015 394 L CA -0.583 53.798 54.840 -0.764 0.000 0.826 394 L CB 1.517 43.057 42.059 -0.865 0.000 1.373 394 L HN 0.551 nan 8.230 nan 0.000 0.450 395 D N -1.539 118.696 120.400 -0.275 0.000 2.266 395 D HA 0.184 4.824 4.640 -0.000 0.000 0.218 395 D C 0.411 176.682 176.300 -0.048 0.000 1.311 395 D CA -0.319 53.611 54.000 -0.115 0.000 0.918 395 D CB 0.832 41.597 40.800 -0.057 0.000 1.530 395 D HN 0.453 nan 8.370 nan 0.000 0.514 396 R N 1.464 121.942 120.500 -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 -0.679 119.538 120.200 0.029 0.000 2.333 397 E HA -0.133 4.217 4.350 -0.000 0.000 0.200 397 E C 1.268 177.898 176.600 0.051 0.000 1.010 397 E CA 1.356 57.778 56.400 0.037 0.000 0.841 397 E CB 0.093 29.808 29.700 0.024 0.000 0.757 397 E HN 0.232 nan 8.360 nan 0.000 0.508 398 S N -2.501 113.243 115.700 0.073 0.000 2.597 398 S HA 0.087 4.557 4.470 -0.000 0.000 0.275 398 S C 1.278 175.922 174.600 0.073 0.000 1.040 398 S CA 0.258 58.501 58.200 0.071 0.000 1.187 398 S CB 0.113 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 -0.826 119.445 120.200 0.118 0.000 2.357 399 E HA 0.212 4.562 4.350 -0.000 0.000 0.202 399 E C 1.078 177.661 176.600 -0.027 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 1.069 121.438 120.300 0.116 0.000 2.231 400 Y HA 0.116 4.666 4.550 -0.000 0.000 0.294 400 Y C 0.801 176.800 175.900 0.165 0.000 1.120 400 Y CA 0.388 58.575 58.100 0.144 0.000 1.141 400 Y CB 0.097 38.684 38.460 0.211 0.000 1.022 400 Y HN -0.163 nan 8.280 nan 0.000 0.523 401 V N 2.939 123.079 119.914 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 0.547 63.012 62.300 0.275 0.000 1.194 401 V CB 0.077 32.031 31.823 0.219 0.000 0.879 401 V HN 0.369 nan 8.190 nan 0.000 0.482 402 K N 3.437 123.920 120.400 0.138 0.000 2.786 402 K HA 0.178 4.498 4.320 -0.000 0.000 0.224 402 K C 0.881 177.516 176.600 0.059 0.000 1.089 402 K CA -0.385 55.952 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 1.310 120.034 118.700 0.041 0.000 2.328 403 N HA -0.065 4.675 4.740 -0.000 0.000 0.277 403 N C 0.323 175.847 175.510 0.023 0.000 1.286 403 N CA 0.281 53.344 53.050 0.022 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 -0.121 4.619 4.740 -0.000 0.000 0.200 404 N C 0.051 175.547 175.510 -0.023 0.000 1.306 404 N CA 0.415 53.452 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 -1.826 112.740 114.554 0.020 0.000 2.810 405 T HA 0.219 4.569 4.350 -0.000 0.000 0.277 405 T C -0.969 173.869 174.700 0.230 0.000 0.973 405 T CA -0.321 61.822 62.100 0.071 0.000 0.949 405 T CB 0.814 69.698 68.868 0.028 0.000 1.075 405 T HN 0.141 nan 8.240 nan 0.000 0.537 406 Y N 0.711 121.046 120.300 0.057 0.000 2.237 406 Y HA 0.321 4.871 4.550 -0.000 0.000 0.316 406 Y C -0.865 175.053 175.900 0.031 0.000 1.236 406 Y CA -0.749 57.394 58.100 0.071 0.000 1.257 406 Y CB 0.650 39.206 38.460 0.161 0.000 1.272 406 Y HN 1.009 nan 8.280 nan 0.000 0.394 407 T N 3.114 117.364 114.554 -0.507 0.000 2.823 407 T HA 0.881 5.231 4.350 -0.000 0.000 0.279 407 T C -0.860 173.534 174.700 -0.510 0.000 0.998 407 T CA -0.846 61.042 62.100 -0.353 0.000 0.994 407 T CB 2.133 70.877 68.868 -0.208 0.000 0.960 407 T HN 0.343 nan 8.240 nan 0.000 0.448 408 V N 2.987 122.718 119.914 -0.305 0.000 2.888 408 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 408 V C -0.635 175.387 176.094 -0.121 0.000 1.114 408 V CA -1.018 61.135 62.300 -0.244 0.000 0.940 408 V CB 2.000 33.710 31.823 -0.189 0.000 1.021 408 V HN 0.908 nan 8.190 nan 0.000 0.426 409 I N 4.041 124.563 120.570 -0.080 0.000 2.693 409 I HA 0.689 4.859 4.170 -0.000 0.000 0.303 409 I C -0.268 175.861 176.117 0.022 0.000 1.025 409 I CA -0.559 60.733 61.300 -0.014 0.000 1.086 409 I CB 1.999 40.007 38.000 0.014 0.000 1.268 409 I HN 0.466 nan 8.210 nan 0.000 0.440 410 M N 4.442 124.090 119.600 0.081 0.000 2.704 410 M HA 0.641 5.121 4.480 -0.000 0.000 0.284 410 M C -1.243 175.326 176.300 0.448 0.000 1.275 410 M CA -0.781 54.611 55.300 0.154 0.000 0.811 410 M CB 2.638 35.239 32.600 0.000 0.000 1.741 410 M HN 0.369 nan 8.290 nan 0.000 0.458 411 L N 0.400 121.918 121.223 0.491 0.000 2.257 411 L HA 0.952 5.292 4.340 -0.000 0.000 0.257 411 L C -1.205 175.957 176.870 0.487 0.000 1.033 411 L CA -1.131 53.985 54.840 0.460 0.000 0.835 411 L CB 2.556 44.718 42.059 0.170 0.000 1.398 411 L HN 0.539 nan 8.230 nan 0.000 0.429 412 V N -0.405 119.565 119.914 0.094 0.000 3.000 412 V HA 0.522 4.642 4.120 -0.000 0.000 0.300 412 V C -1.318 174.676 176.094 -0.167 0.000 1.251 412 V CA -0.080 62.212 62.300 -0.014 0.000 0.972 412 V CB 2.387 34.117 31.823 -0.154 0.000 1.065 412 V HN 0.785 nan 8.190 nan 0.000 0.431 413 T N 3.155 117.608 114.554 -0.168 0.000 2.824 413 T HA 0.438 4.788 4.350 -0.000 0.000 0.282 413 T C -1.095 173.512 174.700 -0.155 0.000 0.993 413 T CA -0.314 61.674 62.100 -0.187 0.000 0.967 413 T CB 1.229 69.946 68.868 -0.251 0.000 0.960 413 T HN 0.981 nan 8.240 nan 0.000 0.441 414 D N 4.107 124.425 120.400 -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 54.031 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 1.808 122.168 120.400 -0.066 0.000 2.723 415 D HA 0.534 5.174 4.640 -0.000 0.000 0.247 415 D C 1.068 177.348 176.300 -0.034 0.000 1.134 415 D CA -0.009 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 -1.004 107.784 108.800 -0.021 0.000 2.527 416 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 416 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 416 G C 0.870 175.760 174.900 -0.016 0.000 1.177 416 G CA 1.220 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 -4.478 115.424 119.914 -0.021 0.000 3.309 417 V HA 0.728 4.848 4.120 -0.000 0.000 0.268 417 V C 0.936 177.015 176.094 -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 1.221 nan 8.190 nan 0.000 0.418 418 S N -1.159 114.522 115.700 -0.031 0.000 5.830 418 S HA 0.642 5.112 4.470 -0.000 0.000 0.119 418 S C -0.490 174.084 174.600 -0.044 0.000 1.116 418 S CA 0.897 59.076 58.200 -0.035 0.000 1.371 418 S CB 1.263 64.442 63.200 -0.034 0.000 2.079 418 S HN 0.404 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 -0.668 175.383 176.094 -0.073 0.000 1.352 419 V CA 0.157 62.419 62.300 -0.063 0.000 1.052 419 V CB 1.663 33.450 31.823 -0.059 0.000 1.101 419 V HN 1.008 nan 8.190 nan 0.000 0.446 420 G N 0.627 109.373 108.800 -0.091 0.000 2.404 420 G HA2 0.565 4.525 3.960 -0.000 0.000 0.298 420 G HA3 0.565 4.525 3.960 -0.000 0.000 0.298 420 G C -1.331 173.493 174.900 -0.126 0.000 1.577 420 G CA -0.146 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 -0.443 114.040 114.554 -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 -0.152 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 1.697 110.368 108.800 -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 -0.506 174.218 174.900 -0.294 0.000 1.546 422 G CA -0.626 44.269 45.100 -0.341 0.000 1.089 422 G HN 0.648 nan 8.290 nan 0.000 0.558 423 T N 1.074 115.580 114.554 -0.080 0.000 2.727 423 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 423 T C 0.491 175.326 174.700 0.225 0.000 0.942 423 T CA -0.326 61.831 62.100 0.094 0.000 0.997 423 T CB 1.767 70.672 68.868 0.062 0.000 0.917 423 T HN 0.678 nan 8.240 nan 0.000 0.487 424 G N 2.499 111.632 108.800 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 -0.751 44.675 45.100 0.543 0.000 0.958 424 G HN 0.604 nan 8.290 nan 0.000 0.499 425 T N 2.210 116.836 114.554 0.119 0.000 2.882 425 T HA 0.571 4.921 4.350 -0.000 0.000 0.287 425 T C -0.243 174.451 174.700 -0.010 0.000 1.014 425 T CA -0.500 61.618 62.100 0.031 0.000 1.049 425 T CB 1.626 70.507 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 -1.293 175.552 176.870 -0.042 0.000 0.966 426 L CA -0.709 54.103 54.840 -0.048 0.000 0.871 426 L CB 1.111 43.124 42.059 -0.077 0.000 1.232 426 L HN 0.830 nan 8.230 nan 0.000 0.408 427 I N 6.993 127.554 120.570 -0.015 0.000 2.359 427 I HA 0.455 4.625 4.170 -0.000 0.000 0.294 427 I C -1.131 175.014 176.117 0.047 0.000 0.987 427 I CA -0.783 60.516 61.300 -0.002 0.000 1.225 427 I CB 1.475 39.472 38.000 -0.005 0.000 1.366 427 I HN 0.715 nan 8.210 nan 0.000 0.466 428 L N 6.009 127.290 121.223 0.097 0.000 2.376 428 L HA 0.505 4.845 4.340 -0.000 0.000 0.275 428 L C -0.844 176.142 176.870 0.194 0.000 0.987 428 L CA -0.759 54.167 54.840 0.145 0.000 0.828 428 L CB 1.448 43.608 42.059 0.169 0.000 1.249 428 L HN 0.609 nan 8.230 nan 0.000 0.409 429 H N 4.151 123.266 119.070 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 0.215 56.304 56.048 0.068 0.000 1.477 429 H CB 0.839 30.628 29.762 0.044 0.000 1.529 429 H HN 0.581 nan 8.280 nan 0.000 0.508 430 V N 6.608 126.749 119.914 0.378 0.000 3.083 430 V HA 0.207 4.327 4.120 -0.000 0.000 0.306 430 V C 0.848 177.088 176.094 0.244 0.000 1.077 430 V CA -0.555 61.882 62.300 0.228 0.000 1.073 430 V CB 1.495 33.411 31.823 0.156 0.000 1.081 430 V HN 0.597 nan 8.190 nan 0.000 0.474 431 L N 0.857 122.131 121.223 0.086 0.000 2.283 431 L HA 0.583 4.923 4.340 -0.000 0.000 0.259 431 L C -0.980 175.904 176.870 0.023 0.000 1.027 431 L CA -0.683 54.180 54.840 0.038 0.000 0.828 431 L CB 2.371 44.406 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 -1.218 175.079 176.300 -0.006 0.000 1.035 432 D CA -0.115 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 2.094 122.003 119.914 -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 1.300 119.995 118.700 -0.008 0.000 2.602 434 N HA 0.260 5.000 4.740 -0.000 0.000 0.238 434 N C 0.093 175.601 175.510 -0.003 0.000 1.084 434 N CA -0.120 52.929 53.050 -0.002 0.000 0.952 434 N CB 0.561 39.045 38.487 -0.005 0.000 1.244 434 N HN 0.764 nan 8.380 nan 0.000 0.512 435 D N 1.229 121.628 120.400 -0.000 0.000 2.119 435 D HA -0.012 4.628 4.640 -0.000 0.000 0.231 435 D C 0.178 176.481 176.300 0.006 0.000 0.999 435 D CA 0.835 54.834 54.000 -0.002 0.000 0.915 435 D CB -0.129 40.669 40.800 -0.003 0.000 1.017 435 D HN 0.538 nan 8.370 nan 0.000 0.437 436 N N -0.205 118.503 118.700 0.013 0.000 2.207 436 N HA 0.372 5.112 4.740 -0.000 0.000 0.223 436 N C 0.184 175.712 175.510 0.030 0.000 1.339 436 N CA 0.374 53.437 53.050 0.021 0.000 0.889 436 N CB 0.213 38.715 38.487 0.025 0.000 1.128 436 N HN 0.306 nan 8.380 nan 0.000 0.456 437 G N -1.941 106.884 108.800 0.041 0.000 2.642 437 G HA2 0.532 4.492 3.960 -0.000 0.000 0.293 437 G HA3 0.532 4.492 3.960 -0.000 0.000 0.293 437 G C -2.927 172.027 174.900 0.090 0.000 1.341 437 G CA -1.371 43.766 45.100 0.061 0.000 0.916 437 G HN 0.422 nan 8.290 nan 0.000 0.474 438 P HA 0.160 nan 4.420 nan 0.000 0.266 438 P C -0.598 176.748 177.300 0.077 0.000 1.180 438 P CA 0.162 63.373 63.100 0.187 0.000 0.765 438 P CB 0.989 32.923 31.700 0.389 0.000 0.806 439 V N 3.477 123.406 119.914 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 -0.003 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 0.694 177.978 177.300 -0.025 0.000 1.216 440 P CA 0.082 63.160 63.100 -0.036 0.000 0.771 440 P CB 0.876 32.564 31.700 -0.020 0.000 0.864 441 S N 4.549 120.233 115.700 -0.026 0.000 2.343 441 S HA 0.024 4.494 4.470 -0.000 0.000 0.212 441 S C -1.289 173.312 174.600 0.001 0.000 1.033 441 S CA 0.661 58.850 58.200 -0.017 0.000 1.004 441 S CB -2.427 60.757 63.200 -0.026 0.000 0.977 441 S HN 0.438 nan 8.310 nan 0.000 0.427 442 P HA 0.467 nan 4.420 nan 0.000 0.284 442 P C -0.466 176.874 177.300 0.067 0.000 1.253 442 P CA -0.490 62.645 63.100 0.058 0.000 0.800 442 P CB 1.042 32.799 31.700 0.095 0.000 0.961 443 R N 0.564 121.058 120.500 -0.009 0.000 2.365 443 R HA 0.287 4.627 4.340 -0.000 0.000 0.223 443 R C -0.314 175.834 176.300 -0.255 0.000 0.899 443 R CA 0.107 56.140 56.100 -0.113 0.000 1.059 443 R CB 0.626 30.861 30.300 -0.108 0.000 1.086 443 R HN 0.280 nan 8.270 nan 0.000 0.522 444 V N 1.244 121.057 119.914 -0.168 0.000 2.668 444 V HA 0.367 4.487 4.120 -0.000 0.000 0.304 444 V C -0.541 175.552 176.094 -0.000 0.000 1.071 444 V CA -0.910 61.235 62.300 -0.259 0.000 0.894 444 V CB 1.835 33.563 31.823 -0.157 0.000 1.008 444 V HN 0.012 nan 8.190 nan 0.000 0.425 445 F N 1.256 121.135 119.950 -0.118 0.000 2.452 445 F HA 0.721 5.248 4.527 -0.000 0.000 0.353 445 F C 0.637 176.393 175.800 -0.073 0.000 1.089 445 F CA -0.939 57.004 58.000 -0.094 0.000 1.080 445 F CB 1.676 40.610 39.000 -0.109 0.000 1.399 445 F HN 0.310 nan 8.300 nan 0.000 0.492 446 T N 1.778 116.456 114.554 0.207 0.000 3.233 446 T HA 0.230 4.580 4.350 -0.000 0.000 0.324 446 T C -0.392 174.367 174.700 0.098 0.000 0.992 446 T CA -0.535 61.626 62.100 0.102 0.000 1.414 446 T CB 0.311 69.215 68.868 0.061 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 0.390 176.743 176.300 0.089 0.000 1.162 447 M CA -0.283 55.087 55.300 0.116 0.000 1.099 447 M CB 0.998 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 0.255 118.899 118.600 0.075 0.000 2.451 448 c HA 0.285 4.855 4.570 -0.000 0.000 0.391 448 c C 1.451 175.580 174.090 0.065 0.000 1.286 448 c CA -0.322 56.043 56.329 0.059 0.000 1.935 448 c CB 1.550 44.083 42.510 0.038 0.000 2.188 448 c HN 0.907 nan 8.230 nan 0.000 0.523 449 D N -0.500 119.929 120.400 0.049 0.000 2.306 449 D HA -0.043 4.597 4.640 -0.000 0.000 0.239 449 D C 1.856 178.172 176.300 0.028 0.000 1.105 449 D CA 1.230 55.255 54.000 0.043 0.000 0.950 449 D CB -0.224 40.597 40.800 0.035 0.000 1.036 449 D HN 0.523 nan 8.370 nan 0.000 0.428 450 Q N -0.025 119.787 119.800 0.019 0.000 2.047 450 Q HA -0.163 4.177 4.340 -0.000 0.000 0.211 450 Q C 0.223 176.229 176.000 0.009 0.000 1.005 450 Q CA 1.471 57.280 55.803 0.011 0.000 0.866 450 Q CB -0.478 28.266 28.738 0.009 0.000 0.938 450 Q HN 0.337 nan 8.270 nan 0.000 0.414 451 N N -0.422 118.285 118.700 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 1.610 40.100 38.487 0.005 0.000 1.326 451 N HN -0.045 nan 8.380 nan 0.000 0.532 452 P HA -0.023 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 0.129 63.249 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 4.278 124.481 120.200 0.005 0.000 2.318 453 E HA 0.435 4.785 4.350 -0.000 0.000 0.265 453 E C -2.318 174.268 176.600 -0.022 0.000 1.069 453 E CA -2.573 53.823 56.400 -0.007 0.000 0.893 453 E CB -0.476 29.215 29.700 -0.015 0.000 1.076 453 E HN 0.245 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 0.458 63.529 63.100 -0.048 0.000 0.758 454 P CB 0.295 31.971 31.700 -0.039 0.000 0.763 455 Q N 3.619 123.302 119.800 -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 -0.379 55.188 55.803 -0.392 0.000 0.912 455 Q CB 0.056 28.296 28.738 -0.831 0.000 1.223 455 Q HN 0.179 nan 8.270 nan 0.000 0.459 456 V N 5.319 125.092 119.914 -0.236 0.000 2.655 456 V HA 0.213 4.333 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 -0.131 62.070 62.300 -0.165 0.000 1.095 456 V CB 0.407 32.164 31.823 -0.110 0.000 0.952 456 V HN 0.749 nan 8.190 nan 0.000 0.485 457 L N 4.440 125.587 121.223 -0.127 0.000 2.465 457 L HA 0.851 5.191 4.340 -0.000 0.000 0.257 457 L C -0.052 176.769 176.870 -0.082 0.000 0.988 457 L CA 0.112 54.901 54.840 -0.084 0.000 0.827 457 L CB 2.720 44.742 42.059 -0.062 0.000 1.397 457 L HN 0.919 nan 8.230 nan 0.000 0.410 458 T N 0.003 114.511 114.554 -0.077 0.000 2.742 458 T HA 0.810 5.160 4.350 -0.000 0.000 0.282 458 T C -0.887 173.731 174.700 -0.136 0.000 1.025 458 T CA -0.675 61.361 62.100 -0.108 0.000 1.020 458 T CB 1.420 70.234 68.868 -0.089 0.000 1.317 458 T HN 0.324 nan 8.240 nan 0.000 0.538 459 I N 1.461 121.915 120.570 -0.194 0.000 2.689 459 I HA 0.670 4.840 4.170 -0.000 0.000 0.299 459 I C -0.409 175.617 176.117 -0.152 0.000 1.059 459 I CA -0.523 60.630 61.300 -0.245 0.000 1.055 459 I CB 2.540 40.190 38.000 -0.582 0.000 1.243 459 I HN 0.996 nan 8.210 nan 0.000 0.425 460 S N 2.540 118.198 115.700 -0.069 0.000 2.548 460 S HA 0.666 5.136 4.470 -0.000 0.000 0.276 460 S C -1.551 173.084 174.600 0.058 0.000 1.129 460 S CA -0.872 57.329 58.200 0.003 0.000 0.931 460 S CB 2.118 65.315 63.200 -0.004 0.000 1.068 460 S HN 0.548 nan 8.310 nan 0.000 0.480 461 D N 1.036 121.489 120.400 0.089 0.000 2.481 461 D HA 0.611 5.251 4.640 -0.000 0.000 0.244 461 D C 0.621 176.958 176.300 0.062 0.000 1.057 461 D CA -0.592 53.465 54.000 0.095 0.000 0.848 461 D CB 2.249 43.128 40.800 0.133 0.000 1.388 461 D HN 0.659 nan 8.370 nan 0.000 0.475 462 A N 2.945 125.794 122.820 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 0.449 52.509 52.037 0.038 0.000 0.782 462 A CB 0.155 19.174 19.000 0.030 0.000 0.816 462 A HN 0.457 nan 8.150 nan 0.000 0.477 463 D N -0.680 119.745 120.400 0.042 0.000 2.383 463 D HA 0.360 5.000 4.640 -0.000 0.000 0.248 463 D C -0.410 175.916 176.300 0.042 0.000 1.170 463 D CA -0.122 53.901 54.000 0.037 0.000 0.977 463 D CB 1.002 41.821 40.800 0.031 0.000 1.120 463 D HN 0.169 nan 8.370 nan 0.000 0.481 464 I N 0.440 121.034 120.570 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 0.135 nan 4.420 nan 0.000 0.267 465 P C -2.157 175.165 177.300 0.037 0.000 1.200 465 P CA -0.337 62.796 63.100 0.055 0.000 0.772 465 P CB -0.010 31.729 31.700 0.065 0.000 0.855 466 P HA -0.047 nan 4.420 nan 0.000 0.220 466 P C 0.628 177.964 177.300 0.060 0.000 1.152 466 P CA 1.154 64.279 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 -0.825 117.892 118.700 0.029 0.000 2.653 467 N HA -0.183 4.557 4.740 -0.000 0.000 0.207 467 N C 0.663 176.180 175.510 0.012 0.000 1.074 467 N CA 1.535 54.595 53.050 0.017 0.000 0.951 467 N CB -0.369 38.127 38.487 0.015 0.000 0.956 467 N HN 0.342 nan 8.380 nan 0.000 0.457 468 T N -4.863 109.711 114.554 0.034 0.000 3.209 468 T HA 0.051 4.401 4.350 -0.000 0.000 0.295 468 T C 0.103 174.786 174.700 -0.028 0.000 0.977 468 T CA -0.706 61.401 62.100 0.012 0.000 0.922 468 T CB -0.360 68.561 68.868 0.088 0.000 1.152 468 T HN 0.169 nan 8.240 nan 0.000 0.527 469 Y N 3.129 123.362 120.300 -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 -0.754 57.286 58.100 -0.099 0.000 1.514 469 Y CB -0.118 38.295 38.460 -0.079 0.000 1.363 469 Y HN 0.034 nan 8.280 nan 0.000 0.677 470 P HA -0.172 nan 4.420 nan 0.000 0.270 470 P C -1.357 175.678 177.300 -0.441 0.000 1.181 470 P CA 1.278 64.056 63.100 -0.537 0.000 0.767 470 P CB 0.122 31.423 31.700 -0.664 0.000 0.799 471 Y N 0.757 121.011 120.300 -0.076 0.000 2.518 471 Y HA 0.557 5.107 4.550 -0.000 0.000 0.332 471 Y C 0.933 176.836 175.900 0.004 0.000 1.276 471 Y CA -0.072 58.016 58.100 -0.020 0.000 1.418 471 Y CB 1.112 39.556 38.460 -0.028 0.000 1.527 471 Y HN 0.100 nan 8.280 nan 0.000 0.549 472 K N 0.751 121.276 120.400 0.209 0.000 2.690 472 K HA 0.388 4.708 4.320 -0.000 0.000 0.264 472 K C -1.930 174.747 176.600 0.128 0.000 1.040 472 K CA -0.331 56.030 56.287 0.124 0.000 0.946 472 K CB 1.909 34.455 32.500 0.077 0.000 1.268 472 K HN 0.319 nan 8.250 nan 0.000 0.473 473 V N 1.856 121.831 119.914 0.102 0.000 2.649 473 V HA 0.409 4.529 4.120 -0.000 0.000 0.292 473 V C 0.060 176.197 176.094 0.072 0.000 1.055 473 V CA -0.203 62.144 62.300 0.078 0.000 1.023 473 V CB 1.577 33.432 31.823 0.054 0.000 0.992 473 V HN 0.723 nan 8.190 nan 0.000 0.480 474 S N 4.346 120.089 115.700 0.071 0.000 2.546 474 S HA 0.655 5.125 4.470 -0.000 0.000 0.272 474 S C -0.972 173.677 174.600 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 2.355 123.635 121.223 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 -0.355 54.560 54.840 0.125 0.000 0.846 475 L CB 1.572 43.722 42.059 0.152 0.000 1.220 475 L HN 0.727 nan 8.230 nan 0.000 0.423 476 S N 1.947 117.723 115.700 0.127 0.000 2.459 476 S HA -0.170 4.300 4.470 -0.000 0.000 0.204 476 S C 1.669 176.340 174.600 0.118 0.000 1.102 476 S CA 1.216 59.467 58.200 0.084 0.000 1.258 476 S CB -0.044 63.158 63.200 0.004 0.000 1.033 476 S HN 0.762 nan 8.310 nan 0.000 0.398 477 H N -0.634 118.376 119.070 -0.100 0.000 2.276 477 H HA 0.142 4.698 4.556 -0.000 0.000 0.307 477 H C 1.285 176.662 175.328 0.081 0.000 1.061 477 H CA 0.551 56.563 56.048 -0.060 0.000 1.336 477 H CB -0.536 29.129 29.762 -0.160 0.000 1.396 477 H HN 0.510 nan 8.280 nan 0.000 0.503 478 G N 0.647 109.613 108.800 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 0.263 45.524 45.100 0.268 0.000 2.029 478 G HN 0.424 nan 8.290 nan 0.000 0.587 479 S N -0.305 115.504 115.700 0.181 0.000 2.593 479 S HA 0.155 4.625 4.470 -0.000 0.000 0.217 479 S C 0.230 174.920 174.600 0.151 0.000 0.966 479 S CA -0.235 58.067 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 0.004 120.484 120.400 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 -0.112 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 0.981 122.202 121.223 -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 42.555 42.059 0.140 0.000 1.465 481 L HN 0.349 nan 8.230 nan 0.000 0.625 482 T N -0.345 114.033 114.554 -0.293 0.000 1.377 482 T HA -0.206 4.144 4.350 -0.000 0.000 0.677 482 T C -0.986 173.268 174.700 -0.742 0.000 0.963 482 T CA 1.334 63.190 62.100 -0.405 0.000 3.590 482 T CB -1.172 67.454 68.868 -0.404 0.000 2.055 482 T HN 0.407 nan 8.240 nan 0.000 0.401 483 W N 1.970 123.315 121.300 0.075 0.000 3.624 483 W HA 0.555 5.215 4.660 -0.000 0.000 0.312 483 W C -0.278 176.279 176.519 0.064 0.000 1.203 483 W CA -1.052 56.345 57.345 0.087 0.000 1.225 483 W CB 1.661 31.191 29.460 0.117 0.000 1.321 483 W HN 0.551 nan 8.180 nan 0.000 0.506 484 K N 2.316 122.915 120.400 0.332 0.000 2.541 484 K HA 0.778 5.098 4.320 -0.000 0.000 0.250 484 K C -0.352 176.341 176.600 0.155 0.000 0.950 484 K CA -0.568 55.833 56.287 0.189 0.000 0.805 484 K CB 1.508 34.079 32.500 0.118 0.000 1.166 484 K HN 0.535 nan 8.250 nan 0.000 0.430 485 A N 3.626 126.518 122.820 0.120 0.000 2.407 485 A HA 0.403 4.723 4.320 -0.000 0.000 0.248 485 A C -0.611 177.004 177.584 0.051 0.000 1.082 485 A CA 0.221 52.305 52.037 0.078 0.000 0.785 485 A CB 0.422 19.466 19.000 0.074 0.000 1.020 485 A HN 0.760 nan 8.150 nan 0.000 0.489 486 E N 0.525 120.742 120.200 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 -0.453 55.956 56.400 0.015 0.000 0.820 486 E CB 1.345 31.053 29.700 0.013 0.000 1.226 486 E HN 0.575 nan 8.360 nan 0.000 0.432 487 L N 1.157 122.378 121.223 -0.004 0.000 2.331 487 L HA 0.415 4.755 4.340 -0.000 0.000 0.275 487 L C 0.598 177.455 176.870 -0.020 0.000 1.022 487 L CA -0.866 53.963 54.840 -0.018 0.000 0.812 487 L CB 1.228 43.284 42.059 -0.004 0.000 1.257 487 L HN 0.440 nan 8.230 nan 0.000 0.435 488 D N 0.529 120.909 120.400 -0.034 0.000 2.362 488 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 488 D C 0.982 177.270 176.300 -0.021 0.000 1.132 488 D CA 0.138 54.120 54.000 -0.030 0.000 0.907 488 D CB 1.668 42.444 40.800 -0.041 0.000 1.195 488 D HN 0.664 nan 8.370 nan 0.000 0.429 489 S N 2.984 118.675 115.700 -0.015 0.000 2.345 489 S HA -0.211 4.259 4.470 -0.000 0.000 0.220 489 S C 1.388 175.980 174.600 -0.012 0.000 1.031 489 S CA 0.842 59.036 58.200 -0.009 0.000 0.996 489 S CB -0.161 63.037 63.200 -0.005 0.000 0.882 489 S HN 0.552 nan 8.310 nan 0.000 0.445 490 K N 1.988 122.379 120.400 -0.015 0.000 3.358 490 K HA 0.266 4.586 4.320 -0.000 0.000 0.297 490 K C 1.304 177.888 176.600 -0.026 0.000 1.064 490 K CA 0.480 56.758 56.287 -0.016 0.000 1.144 490 K CB -1.211 31.280 32.500 -0.014 0.000 1.289 490 K HN 0.567 nan 8.250 nan 0.000 0.372 491 G N 0.083 108.865 108.800 -0.031 0.000 5.260 491 G HA2 -0.530 3.430 3.960 -0.000 0.000 0.276 491 G HA3 -0.530 3.430 3.960 -0.000 0.000 0.276 491 G C 1.065 175.927 174.900 -0.063 0.000 1.357 491 G CA 1.003 46.080 45.100 -0.039 0.000 1.008 491 G HN 0.476 nan 8.290 nan 0.000 0.777 492 T N 1.277 115.787 114.554 -0.073 0.000 2.685 492 T HA -0.010 4.340 4.350 -0.000 0.000 0.268 492 T C 1.703 176.309 174.700 -0.156 0.000 1.034 492 T CA 2.891 64.917 62.100 -0.122 0.000 1.149 492 T CB -0.672 68.146 68.868 -0.083 0.000 0.860 492 T HN 1.869 nan 8.240 nan 0.000 0.449 493 S N 0.750 116.385 115.700 -0.110 0.000 2.713 493 S HA 0.670 5.140 4.470 -0.000 0.000 0.283 493 S C -0.210 174.329 174.600 -0.101 0.000 1.161 493 S CA -1.012 57.123 58.200 -0.108 0.000 0.999 493 S CB 1.286 64.438 63.200 -0.080 0.000 1.039 493 S HN 0.665 nan 8.310 nan 0.000 0.548 494 M N 0.582 120.127 119.600 -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 -0.830 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 3.787 124.985 121.223 -0.041 0.000 2.255 495 L HA 0.500 4.840 4.340 -0.000 0.000 0.289 495 L C -1.040 175.821 176.870 -0.015 0.000 1.046 495 L CA -0.717 54.100 54.840 -0.038 0.000 0.816 495 L CB 1.086 43.132 42.059 -0.021 0.000 1.197 495 L HN 0.627 nan 8.230 nan 0.000 0.427 496 L N 3.406 124.604 121.223 -0.043 0.000 2.265 496 L HA 0.506 4.846 4.340 -0.000 0.000 0.289 496 L C -0.343 176.583 176.870 0.093 0.000 1.033 496 L CA 0.512 55.359 54.840 0.012 0.000 0.814 496 L CB 1.315 43.324 42.059 -0.083 0.000 1.203 496 L HN 0.549 nan 8.230 nan 0.000 0.423 497 S N 5.497 121.325 115.700 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 -0.886 57.455 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 -3.834 110.608 114.554 -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 61.999 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 -0.241 175.669 176.000 -0.149 0.000 1.098 500 Q CA -0.577 55.127 55.803 -0.164 0.000 0.827 500 Q CB 1.852 30.468 28.738 -0.203 0.000 1.386 500 Q HN 0.354 nan 8.270 nan 0.000 0.443 501 Q N 1.374 121.110 119.800 -0.106 0.000 2.282 501 Q HA 0.164 4.504 4.340 -0.000 0.000 0.205 501 Q C 0.058 176.015 176.000 -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 1.996 123.148 121.223 -0.117 0.000 2.587 502 L HA -0.190 4.150 4.340 -0.000 0.000 0.315 502 L C 0.693 177.536 176.870 -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 42.104 42.059 -0.222 0.000 1.080 502 L HN 0.316 nan 8.230 nan 0.000 0.541 503 K N 1.895 122.254 120.400 -0.069 0.000 2.505 503 K HA -0.087 4.233 4.320 -0.000 0.000 0.272 503 K C 0.034 176.688 176.600 0.089 0.000 0.963 503 K CA 0.041 56.321 56.287 -0.012 0.000 0.932 503 K CB 0.068 32.532 32.500 -0.060 0.000 0.924 503 K HN 0.319 nan 8.250 nan 0.000 0.520 504 K N 2.163 122.606 120.400 0.072 0.000 2.021 504 K HA 0.028 4.348 4.320 -0.000 0.000 0.238 504 K C 0.507 177.183 176.600 0.128 0.000 1.149 504 K CA 0.620 56.961 56.287 0.091 0.000 1.105 504 K CB -1.036 31.496 32.500 0.054 0.000 1.246 504 K HN 0.859 nan 8.250 nan 0.000 0.307 505 G N 3.078 111.993 108.800 0.193 0.000 2.888 505 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.441 505 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.441 505 G C -0.734 174.314 174.900 0.248 0.000 1.461 505 G CA -0.355 44.858 45.100 0.187 0.000 0.897 505 G HN 0.888 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 -1.774 39.067 40.800 0.068 0.000 0.820 506 D HN 2.237 nan 8.370 nan 0.000 0.393 507 Y N -1.654 118.643 120.300 -0.005 0.000 2.522 507 Y HA 0.490 5.040 4.550 -0.000 0.000 0.326 507 Y C -0.608 175.254 175.900 -0.062 0.000 1.198 507 Y CA -0.628 57.473 58.100 0.002 0.000 1.112 507 Y CB 0.258 38.767 38.460 0.082 0.000 1.342 507 Y HN 0.269 nan 8.280 nan 0.000 0.460 508 S N 4.092 119.772 115.700 -0.034 0.000 2.686 508 S HA 0.771 5.241 4.470 -0.000 0.000 0.270 508 S C -0.553 173.931 174.600 -0.194 0.000 1.194 508 S CA -0.513 57.537 58.200 -0.249 0.000 0.990 508 S CB 1.933 64.927 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 -1.968 173.990 176.117 -0.265 0.000 1.094 509 I CA -0.995 60.078 61.300 -0.377 0.000 1.055 509 I CB 1.016 38.555 38.000 -0.768 0.000 1.225 509 I HN 0.705 nan 8.210 nan 0.000 0.435 510 Y N 6.380 126.650 120.300 -0.050 0.000 2.436 510 Y HA 0.349 4.899 4.550 -0.000 0.000 0.336 510 Y C 0.357 176.246 175.900 -0.019 0.000 1.049 510 Y CA 0.023 58.112 58.100 -0.017 0.000 1.294 510 Y CB 1.001 39.485 38.460 0.040 0.000 1.179 510 Y HN 0.273 nan 8.280 nan 0.000 0.520 511 V N 5.014 124.990 119.914 0.103 0.000 2.850 511 V HA 0.579 4.699 4.120 -0.000 0.000 0.315 511 V C -0.719 175.423 176.094 0.081 0.000 1.064 511 V CA -1.013 61.325 62.300 0.063 0.000 0.979 511 V CB 1.870 33.698 31.823 0.009 0.000 1.039 511 V HN 0.493 nan 8.190 nan 0.000 0.452 512 L N 3.887 125.152 121.223 0.069 0.000 2.639 512 L HA 0.646 4.986 4.340 -0.000 0.000 0.264 512 L C -1.383 175.531 176.870 0.073 0.000 0.948 512 L CA 0.155 55.036 54.840 0.068 0.000 0.912 512 L CB 1.049 43.148 42.059 0.067 0.000 1.294 512 L HN 0.579 nan 8.230 nan 0.000 0.412 513 L N 2.607 123.881 121.223 0.085 0.000 2.293 513 L HA 0.938 5.278 4.340 -0.000 0.000 0.264 513 L C -0.134 176.810 176.870 0.124 0.000 1.029 513 L CA -0.879 54.039 54.840 0.130 0.000 0.897 513 L CB 2.075 44.241 42.059 0.178 0.000 1.497 513 L HN 0.744 nan 8.230 nan 0.000 0.495 514 S N -1.348 114.449 115.700 0.161 0.000 2.565 514 S HA 0.266 4.736 4.470 -0.000 0.000 0.274 514 S C -0.977 173.575 174.600 -0.080 0.000 1.144 514 S CA -0.660 57.574 58.200 0.056 0.000 0.849 514 S CB 2.028 65.248 63.200 0.034 0.000 1.103 514 S HN 0.829 nan 8.310 nan 0.000 0.455 515 D N -0.600 119.709 120.400 -0.151 0.000 2.449 515 D HA 0.408 5.048 4.640 -0.000 0.000 0.255 515 D C 0.827 177.032 176.300 -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 -0.331 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 1.303 178.870 177.584 -0.029 0.000 1.512 516 A CA 1.029 53.043 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 0.055 nan 8.150 nan 0.000 0.501 517 Q N -2.934 116.846 119.800 -0.033 0.000 7.952 517 Q HA -0.106 4.234 4.340 -0.000 0.000 0.369 517 Q C 0.539 176.535 176.000 -0.007 0.000 0.943 517 Q CA 0.932 56.727 55.803 -0.014 0.000 0.540 517 Q CB -0.754 27.980 28.738 -0.006 0.000 0.157 517 Q HN 0.238 nan 8.270 nan 0.000 0.899 518 N N 0.940 119.637 118.700 -0.005 0.000 2.677 518 N HA -0.355 4.385 4.740 -0.000 0.000 0.230 518 N C 0.017 175.535 175.510 0.014 0.000 1.021 518 N CA 2.078 55.130 53.050 0.003 0.000 1.156 518 N CB -0.700 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 -3.086 115.627 118.700 0.021 0.000 2.936 519 N HA -0.167 4.573 4.740 -0.000 0.000 0.236 519 N C -2.320 173.215 175.510 0.042 0.000 0.930 519 N CA 0.515 53.584 53.050 0.031 0.000 0.966 519 N CB -0.935 37.565 38.487 0.021 0.000 1.090 519 N HN 0.299 nan 8.380 nan 0.000 0.592 520 P HA -0.081 nan 4.420 nan 0.000 0.263 520 P C -0.544 176.789 177.300 0.055 0.000 1.175 520 P CA 0.942 64.072 63.100 0.050 0.000 0.761 520 P CB 0.351 32.080 31.700 0.049 0.000 0.794 521 Q N 2.622 122.448 119.800 0.044 0.000 2.286 521 Q HA 0.150 4.490 4.340 -0.000 0.000 0.265 521 Q C 0.217 176.246 176.000 0.048 0.000 1.080 521 Q CA 0.293 56.123 55.803 0.045 0.000 0.906 521 Q CB 0.486 29.244 28.738 0.034 0.000 1.227 521 Q HN 0.503 nan 8.270 nan 0.000 0.409 522 L N 1.118 122.376 121.223 0.058 0.000 2.756 522 L HA 0.537 4.877 4.340 -0.000 0.000 0.220 522 L C 0.319 177.226 176.870 0.061 0.000 1.797 522 L CA -0.131 54.734 54.840 0.043 0.000 2.814 522 L CB 1.852 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 0.244 4.594 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 62.184 62.100 0.032 0.000 1.078 523 T CB 0.490 69.359 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 -0.186 0.000 2.530 524 V HA 0.791 4.911 4.120 -0.000 0.000 0.282 524 V C -0.485 175.445 176.094 -0.275 0.000 1.048 524 V CA -0.419 61.684 62.300 -0.330 0.000 0.997 524 V CB 0.876 32.485 31.823 -0.357 0.000 0.987 524 V HN 0.491 nan 8.190 nan 0.000 0.477 525 V N 4.872 124.570 119.914 -0.360 0.000 2.454 525 V HA 0.342 4.462 4.120 -0.000 0.000 0.267 525 V C 0.019 175.705 176.094 -0.680 0.000 0.993 525 V CA -0.652 61.388 62.300 -0.434 0.000 0.836 525 V CB 0.709 32.346 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 0.366 5.106 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 0.518 53.228 53.050 -0.567 0.000 0.880 526 N CB 0.639 38.901 38.487 -0.375 0.000 1.106 526 N HN 0.815 nan 8.380 nan 0.000 0.435 527 A N 0.225 122.640 122.820 -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 -0.620 0.000 0.744 527 A CB 0.453 19.061 19.000 -0.654 0.000 1.213 527 A HN 0.424 nan 8.150 nan 0.000 0.434 528 T N 2.709 117.154 114.554 -0.183 0.000 2.727 528 T HA 0.458 4.808 4.350 -0.000 0.000 0.298 528 T C 0.138 174.848 174.700 0.017 0.000 0.942 528 T CA 0.011 62.072 62.100 -0.066 0.000 0.997 528 T CB 0.336 69.179 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 0.344 176.491 176.094 0.087 0.000 1.046 529 V CA -0.952 61.414 62.300 0.110 0.000 0.934 529 V CB 1.313 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 0.813 119.456 118.600 0.072 0.000 2.985 530 c HA 0.674 5.244 4.570 -0.000 0.000 0.332 530 c C 0.142 174.260 174.090 0.047 0.000 1.164 530 c CA -0.907 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 1.071 116.794 115.700 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 0.808 59.027 58.200 0.031 0.000 1.027 531 S CB -0.450 62.764 63.200 0.023 0.000 0.732 531 S HN 1.196 nan 8.310 nan 0.000 0.499 532 c N 2.582 121.197 118.600 0.025 0.000 3.271 532 c HA 0.442 5.012 4.570 -0.000 0.000 0.353 532 c C 0.662 174.762 174.090 0.017 0.000 1.510 532 c CA -0.478 55.863 56.329 0.021 0.000 1.149 532 c CB 0.829 43.355 42.510 0.027 0.000 1.713 532 c HN 0.998 nan 8.230 nan 0.000 0.421 533 E N -0.222 119.987 120.200 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 1.419 57.825 56.400 0.011 0.000 1.043 533 E CB 0.148 29.853 29.700 0.008 0.000 2.367 533 E HN 0.935 nan 8.360 nan 0.000 0.565 534 G N -0.320 108.486 108.800 0.010 0.000 3.531 534 G HA2 0.195 4.155 3.960 -0.000 0.000 0.212 534 G HA3 0.195 4.155 3.960 -0.000 0.000 0.212 534 G C -0.260 174.644 174.900 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 1.380 121.783 120.400 0.005 0.000 2.185 535 K HA 0.623 4.943 4.320 -0.000 0.000 0.269 535 K C 0.113 176.714 176.600 0.003 0.000 0.987 535 K CA -0.613 55.674 56.287 0.000 0.000 0.865 535 K CB 2.138 34.637 32.500 -0.002 0.000 1.090 535 K HN 0.116 nan 8.250 nan 0.000 0.450 536 A N 4.715 127.532 122.820 -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 -0.709 18.277 19.000 -0.023 0.000 1.000 536 A HN 0.789 nan 8.150 nan 0.000 0.522 537 I N 1.651 122.230 120.570 0.014 0.000 2.822 537 I HA 0.412 4.582 4.170 -0.000 0.000 0.312 537 I C 0.534 176.661 176.117 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 3.506 123.914 120.400 0.012 0.000 2.401 538 K HA 0.134 4.454 4.320 -0.000 0.000 0.278 538 K C -0.296 176.313 176.600 0.015 0.000 1.018 538 K CA -0.346 55.948 56.287 0.012 0.000 0.981 538 K CB 0.781 33.285 32.500 0.008 0.000 0.933 538 K HN 0.706 nan 8.250 nan 0.000 0.477 539 c N 1.913 120.522 118.600 0.015 0.000 2.369 539 c HA 0.313 4.883 4.570 -0.000 0.000 0.089 539 c C 0.112 174.211 174.090 0.014 0.000 2.614 539 c CA -0.297 56.043 56.329 0.017 0.000 1.724 539 c CB 0.704 43.226 42.510 0.020 0.000 2.453 539 c HN 0.960 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