REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1q55_1_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 0.065 0.000 0.688 2 W N 2.190 123.483 121.300 -0.010 0.000 2.289 2 W HA 0.432 5.092 4.660 -0.000 0.000 0.342 2 W C 0.757 177.266 176.519 -0.017 0.000 0.958 2 W CA -0.631 56.706 57.345 -0.013 0.000 1.492 2 W CB 0.600 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 1.837 121.883 119.914 0.220 0.000 4.690 3 V HA 0.397 4.517 4.120 -0.000 0.000 0.267 3 V C -0.003 176.158 176.094 0.111 0.000 1.088 3 V CA -0.393 61.983 62.300 0.127 0.000 0.686 3 V CB 0.313 32.176 31.823 0.066 0.000 1.152 3 V HN 0.315 nan 8.190 nan 0.000 0.353 4 I N 0.883 121.489 120.570 0.061 0.000 2.563 4 I HA 0.546 4.716 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 1.863 39.866 38.000 0.004 0.000 1.229 4 I HN 0.605 nan 8.210 nan 0.000 0.442 5 P HA 0.231 nan 4.420 nan 0.000 0.266 5 P C -2.546 174.761 177.300 0.013 0.000 1.193 5 P CA -0.475 62.640 63.100 0.026 0.000 0.770 5 P CB -0.396 31.323 31.700 0.030 0.000 0.836 6 P HA 0.176 nan 4.420 nan 0.000 0.269 6 P C -0.535 176.772 177.300 0.011 0.000 1.215 6 P CA 0.231 63.336 63.100 0.009 0.000 0.780 6 P CB 0.373 32.082 31.700 0.016 0.000 0.898 7 I N 1.898 122.472 120.570 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 0.014 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 5.797 126.217 120.400 0.034 0.000 2.350 8 K HA 0.553 4.873 4.320 -0.000 0.000 0.279 8 K C -0.613 176.018 176.600 0.051 0.000 1.027 8 K CA -0.454 55.859 56.287 0.043 0.000 0.969 8 K CB 0.771 33.293 32.500 0.037 0.000 0.954 8 K HN 0.310 nan 8.250 nan 0.000 0.474 9 V N 0.991 120.943 119.914 0.063 0.000 2.808 9 V HA 0.337 4.457 4.120 -0.000 0.000 0.308 9 V C -0.216 175.921 176.094 0.071 0.000 1.099 9 V CA -1.025 61.319 62.300 0.072 0.000 0.920 9 V CB 2.120 34.000 31.823 0.095 0.000 1.014 9 V HN 0.877 nan 8.190 nan 0.000 0.425 10 S N 2.164 117.902 115.700 0.063 0.000 2.614 10 S HA 0.362 4.832 4.470 -0.000 0.000 0.265 10 S C -0.187 174.455 174.600 0.070 0.000 1.303 10 S CA -0.314 57.921 58.200 0.059 0.000 1.000 10 S CB 0.968 64.196 63.200 0.046 0.000 0.935 10 S HN 0.898 nan 8.310 nan 0.000 0.551 11 E N 1.201 121.440 120.200 0.065 0.000 2.248 11 E HA 0.255 4.605 4.350 -0.000 0.000 0.272 11 E C -0.632 176.005 176.600 0.061 0.000 1.008 11 E CA -0.393 56.048 56.400 0.068 0.000 0.856 11 E CB 0.236 29.975 29.700 0.066 0.000 1.120 11 E HN 0.833 nan 8.360 nan 0.000 0.397 12 N N 1.774 120.510 118.700 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 -0.726 37.788 38.487 0.045 0.000 0.930 12 N HN 0.624 nan 8.380 nan 0.000 0.543 13 E N 0.949 121.212 120.200 0.105 0.000 2.374 13 E HA 0.415 4.765 4.350 -0.000 0.000 0.260 13 E C 0.070 176.778 176.600 0.180 0.000 1.101 13 E CA -0.326 56.151 56.400 0.128 0.000 0.907 13 E CB 0.669 30.471 29.700 0.170 0.000 1.014 13 E HN 0.247 nan 8.360 nan 0.000 0.427 14 R N 1.192 121.753 120.500 0.102 0.000 2.725 14 R HA 0.446 4.786 4.340 -0.000 0.000 0.276 14 R C -1.127 175.135 176.300 -0.064 0.000 1.189 14 R CA 0.317 56.472 56.100 0.091 0.000 1.083 14 R CB 1.075 31.426 30.300 0.085 0.000 1.262 14 R HN 0.630 nan 8.270 nan 0.000 0.415 15 G N 2.885 111.556 108.800 -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 -1.352 175.676 177.300 -0.454 0.000 1.313 16 P CA -0.140 62.789 63.100 -0.284 0.000 0.787 16 P CB 1.031 32.624 31.700 -0.179 0.000 0.910 17 F N 3.769 123.690 119.950 -0.048 0.000 2.377 17 F HA 0.401 4.928 4.527 -0.000 0.000 0.328 17 F C -1.009 174.756 175.800 -0.058 0.000 1.094 17 F CA -1.411 56.555 58.000 -0.057 0.000 1.093 17 F CB 0.019 38.984 39.000 -0.058 0.000 1.214 17 F HN 0.270 nan 8.300 nan 0.000 0.518 18 P HA 0.267 nan 4.420 nan 0.000 0.286 18 P C -1.533 175.737 177.300 -0.050 0.000 1.293 18 P CA -0.361 62.793 63.100 0.090 0.000 0.770 18 P CB 0.543 32.268 31.700 0.041 0.000 1.206 19 K N 0.209 120.613 120.400 0.007 0.000 2.615 19 K HA 0.313 4.633 4.320 -0.000 0.000 0.249 19 K C -0.844 175.743 176.600 -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 0.183 nan 8.250 nan 0.000 0.443 20 R N 3.480 123.917 120.500 -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 0.028 0.000 1.069 20 R CA -0.097 55.944 56.100 -0.097 0.000 1.022 20 R CB 0.549 30.593 30.300 -0.426 0.000 0.976 20 R HN 0.462 nan 8.270 nan 0.000 0.443 21 L N 2.947 124.254 121.223 0.141 0.000 2.379 21 L HA 0.264 4.604 4.340 -0.000 0.000 0.190 21 L C 0.319 177.308 176.870 0.199 0.000 1.111 21 L CA 0.849 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 -1.550 118.522 119.914 0.264 0.000 3.258 22 V HA 0.430 4.550 4.120 -0.000 0.000 0.299 22 V C -1.885 174.252 176.094 0.071 0.000 1.376 22 V CA -0.623 61.801 62.300 0.207 0.000 1.063 22 V CB 2.254 34.102 31.823 0.041 0.000 1.103 22 V HN 0.331 nan 8.190 nan 0.000 0.451 23 Q N 3.256 122.823 119.800 -0.389 0.000 2.340 23 Q HA 0.721 5.061 4.340 -0.000 0.000 0.268 23 Q C -1.250 174.410 176.000 -0.567 0.000 1.031 23 Q CA -0.711 54.579 55.803 -0.855 0.000 0.804 23 Q CB 1.921 29.501 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 -0.545 0.000 2.603 24 I HA 0.696 4.866 4.170 -0.000 0.000 0.300 24 I C -1.327 174.447 176.117 -0.572 0.000 1.017 24 I CA -0.917 60.111 61.300 -0.453 0.000 1.098 24 I CB 2.031 39.818 38.000 -0.354 0.000 1.279 24 I HN 0.530 nan 8.210 nan 0.000 0.437 25 K N 3.577 123.767 120.400 -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 -0.457 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 0.176 0.000 1.070 26 S CB 0.472 63.813 63.200 0.236 0.000 1.004 26 S HN 0.827 nan 8.310 nan 0.000 0.493 27 N N 2.905 121.645 118.700 0.066 0.000 2.353 27 N HA 0.096 4.836 4.740 -0.000 0.000 0.185 27 N C 0.894 176.439 175.510 0.058 0.000 1.098 27 N CA -0.216 52.863 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 -0.005 176.654 176.600 0.098 0.000 1.024 28 K CA 0.384 56.714 56.287 0.073 0.000 1.157 28 K CB 0.032 32.568 32.500 0.061 0.000 0.899 28 K HN 0.449 nan 8.250 nan 0.000 0.501 29 D N -1.533 118.922 120.400 0.092 0.000 2.339 29 D HA -0.092 4.548 4.640 -0.000 0.000 0.217 29 D C 1.550 177.904 176.300 0.090 0.000 1.050 29 D CA -0.076 53.981 54.000 0.094 0.000 0.856 29 D CB 0.185 41.033 40.800 0.081 0.000 0.922 29 D HN 0.034 nan 8.370 nan 0.000 0.518 30 R N -0.581 119.978 120.500 0.097 0.000 2.127 30 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 30 R C 1.352 177.715 176.300 0.106 0.000 1.134 30 R CA 1.107 57.257 56.100 0.084 0.000 0.975 30 R CB -0.322 30.030 30.300 0.087 0.000 0.865 30 R HN 0.341 nan 8.270 nan 0.000 0.447 31 F N 0.068 120.026 119.950 0.013 0.000 2.147 31 F HA 0.142 4.669 4.527 -0.000 0.000 0.291 31 F C 0.867 176.675 175.800 0.014 0.000 1.093 31 F CA 0.914 58.921 58.000 0.012 0.000 1.263 31 F CB 0.069 39.076 39.000 0.011 0.000 1.036 31 F HN 0.025 nan 8.300 nan 0.000 0.481 32 N N -0.550 118.207 118.700 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 52.223 53.050 -0.054 0.000 0.752 32 N CB 1.186 39.776 38.487 0.172 0.000 1.863 32 N HN -0.040 nan 8.380 nan 0.000 0.636 33 K N 0.479 120.902 120.400 0.039 0.000 2.205 33 K HA 0.459 4.779 4.320 -0.000 0.000 0.279 33 K C -1.120 175.524 176.600 0.074 0.000 1.027 33 K CA -0.506 55.820 56.287 0.065 0.000 0.932 33 K CB 0.652 33.212 32.500 0.100 0.000 1.032 33 K HN 0.294 nan 8.250 nan 0.000 0.466 34 V N 4.678 124.602 119.914 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 1.090 32.752 31.823 -0.268 0.000 0.986 34 V HN 0.677 nan 8.190 nan 0.000 0.447 35 Y N 4.801 124.964 120.300 -0.229 0.000 2.369 35 Y HA 0.512 5.062 4.550 -0.000 0.000 0.337 35 Y C -0.574 175.236 175.900 -0.150 0.000 0.961 35 Y CA -0.702 57.355 58.100 -0.071 0.000 1.186 35 Y CB 0.712 39.193 38.460 0.035 0.000 1.139 35 Y HN 0.595 nan 8.280 nan 0.000 0.494 36 Y N 4.536 124.803 120.300 -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 -0.047 58.047 58.100 -0.011 0.000 1.198 36 Y CB 0.945 39.380 38.460 -0.041 0.000 1.182 36 Y HN 0.642 nan 8.280 nan 0.000 0.502 37 S N 4.058 119.928 115.700 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 0.663 121.386 120.570 0.254 0.000 2.800 38 I HA 0.547 4.717 4.170 -0.000 0.000 0.294 38 I C -1.728 174.508 176.117 0.198 0.000 1.538 38 I CA -0.224 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 2.428 117.087 114.554 0.175 0.000 2.906 39 T HA 1.002 5.352 4.350 -0.000 0.000 0.295 39 T C -0.264 174.498 174.700 0.104 0.000 1.075 39 T CA -0.129 62.071 62.100 0.167 0.000 1.005 39 T CB 2.019 71.032 68.868 0.241 0.000 1.136 39 T HN 1.646 nan 8.240 nan 0.000 0.498 40 G N 0.543 109.399 108.800 0.093 0.000 2.346 40 G HA2 0.216 4.176 3.960 -0.000 0.000 0.294 40 G HA3 0.216 4.176 3.960 -0.000 0.000 0.294 40 G C -1.610 173.330 174.900 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 -0.062 119.765 119.800 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 0.122 0.000 0.989 41 Q CA 1.247 57.062 55.803 0.020 0.000 0.890 41 Q CB 1.087 29.782 28.738 -0.071 0.000 1.200 41 Q HN 2.251 nan 8.270 nan 0.000 0.396 42 G N 1.364 110.255 108.800 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 0.323 45.639 45.100 0.360 0.000 0.621 42 G HN 0.744 nan 8.290 nan 0.000 0.519 43 A N 0.767 123.717 122.820 0.215 0.000 3.152 43 A HA 0.560 4.880 4.320 -0.000 0.000 0.206 43 A C 1.775 179.434 177.584 0.124 0.000 2.224 43 A CA 1.499 53.644 52.037 0.181 0.000 1.378 43 A CB -0.301 18.784 19.000 0.141 0.000 1.222 43 A HN 0.608 nan 8.150 nan 0.000 0.419 44 D N -0.322 120.140 120.400 0.104 0.000 2.346 44 D HA 0.039 4.679 4.640 -0.000 0.000 0.206 44 D C -0.247 176.090 176.300 0.061 0.000 1.001 44 D CA 0.024 54.072 54.000 0.080 0.000 0.871 44 D CB -0.416 40.432 40.800 0.080 0.000 0.943 44 D HN 0.193 nan 8.370 nan 0.000 0.518 45 N N 1.441 120.178 118.700 0.062 0.000 2.492 45 N HA 0.289 5.029 4.740 -0.000 0.000 0.289 45 N C -2.642 172.886 175.510 0.031 0.000 1.133 45 N CA -1.649 51.426 53.050 0.042 0.000 0.961 45 N CB 1.039 39.548 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 -0.198 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 -0.428 176.886 177.300 0.024 0.000 1.236 47 P CA 0.450 63.537 63.100 -0.023 0.000 0.811 47 P CB 0.069 31.737 31.700 -0.053 0.000 0.840 48 Q N 2.068 121.883 119.800 0.024 0.000 2.332 48 Q HA 0.416 4.756 4.340 -0.000 0.000 0.263 48 Q C 1.250 177.263 176.000 0.021 0.000 0.979 48 Q CA 0.143 55.968 55.803 0.037 0.000 0.885 48 Q CB 0.382 29.140 28.738 0.033 0.000 1.218 48 Q HN 0.677 nan 8.270 nan 0.000 0.405 49 G N 1.158 109.980 108.800 0.037 0.000 2.149 49 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.235 49 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.235 49 G C 0.423 175.270 174.900 -0.089 0.000 1.018 49 G CA 0.163 45.263 45.100 0.000 0.000 0.728 49 G HN 0.481 nan 8.290 nan 0.000 0.508 50 V N -1.357 118.476 119.914 -0.135 0.000 2.649 50 V HA 0.344 4.464 4.120 -0.000 0.000 0.248 50 V C 0.976 176.582 176.094 -0.812 0.000 1.054 50 V CA 1.500 63.495 62.300 -0.509 0.000 1.073 50 V CB -0.380 31.038 31.823 -0.675 0.000 0.699 50 V HN 0.345 nan 8.190 nan 0.000 0.463 51 F N 0.408 120.328 119.950 -0.051 0.000 2.563 51 F HA 0.787 5.314 4.527 -0.000 0.000 0.316 51 F C 0.129 175.938 175.800 0.014 0.000 1.076 51 F CA -1.220 56.763 58.000 -0.028 0.000 0.921 51 F CB 1.650 40.623 39.000 -0.046 0.000 1.209 51 F HN -0.006 nan 8.300 nan 0.000 0.462 52 R N 1.792 122.411 120.500 0.198 0.000 2.680 52 R HA 0.830 5.170 4.340 -0.000 0.000 0.269 52 R C -2.179 174.214 176.300 0.155 0.000 1.026 52 R CA -0.902 55.292 56.100 0.157 0.000 0.889 52 R CB 2.454 32.824 30.300 0.115 0.000 1.241 52 R HN 0.796 nan 8.270 nan 0.000 0.463 53 I N 0.685 121.346 120.570 0.151 0.000 2.646 53 I HA 0.293 4.463 4.170 -0.000 0.000 0.299 53 I C -0.564 175.642 176.117 0.148 0.000 1.036 53 I CA -1.066 60.319 61.300 0.141 0.000 1.074 53 I CB 2.394 40.464 38.000 0.117 0.000 1.258 53 I HN 0.724 nan 8.210 nan 0.000 0.430 54 E N 8.121 128.393 120.200 0.120 0.000 1.932 54 E HA -0.012 4.338 4.350 -0.000 0.000 0.275 54 E C 0.480 177.066 176.600 -0.023 0.000 1.159 54 E CA -0.361 56.073 56.400 0.056 0.000 0.905 54 E CB 0.190 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 4.105 125.336 121.300 -0.114 0.000 2.279 55 W HA -0.324 4.336 4.660 -0.000 0.000 0.298 55 W C 0.921 177.365 176.519 -0.125 0.000 1.228 55 W CA 1.512 58.634 57.345 -0.371 0.000 1.230 55 W CB -0.392 28.452 29.460 -1.027 0.000 1.138 55 W HN 0.490 nan 8.180 nan 0.000 0.532 56 E N 0.513 120.277 120.200 -0.726 0.000 2.389 56 E HA -0.082 4.268 4.350 -0.000 0.000 0.199 56 E C 2.324 178.813 176.600 -0.185 0.000 0.978 56 E CA 1.430 57.491 56.400 -0.565 0.000 0.912 56 E CB 0.127 29.129 29.700 -1.164 0.000 0.907 56 E HN 0.261 nan 8.360 nan 0.000 0.494 57 T N -3.791 110.666 114.554 -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 69.516 68.868 0.050 0.000 0.884 57 T HN 0.189 nan 8.240 nan 0.000 0.457 58 G N 0.463 109.082 108.800 -0.302 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 -0.312 174.323 174.900 -0.442 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 -0.171 121.033 121.300 -0.161 0.000 2.376 59 W HA 0.768 5.428 4.660 -0.000 0.000 0.322 59 W C 0.666 177.151 176.519 -0.057 0.000 1.160 59 W CA -0.902 56.381 57.345 -0.104 0.000 1.218 59 W CB 1.133 30.546 29.460 -0.079 0.000 1.205 59 W HN 0.132 nan 8.180 nan 0.000 0.559 60 M N 4.322 124.102 119.600 0.300 0.000 2.364 60 M HA 0.584 5.064 4.480 -0.000 0.000 0.334 60 M C -1.310 175.117 176.300 0.212 0.000 1.107 60 M CA -0.467 54.951 55.300 0.197 0.000 0.988 60 M CB 0.943 33.616 32.600 0.122 0.000 1.673 60 M HN 0.341 nan 8.290 nan 0.000 0.441 61 L N 3.611 124.948 121.223 0.191 0.000 2.350 61 L HA 0.760 5.100 4.340 -0.000 0.000 0.260 61 L C -0.929 176.040 176.870 0.164 0.000 1.015 61 L CA -1.203 53.729 54.840 0.153 0.000 0.821 61 L CB 1.861 43.975 42.059 0.091 0.000 1.370 61 L HN 0.426 nan 8.230 nan 0.000 0.416 62 V N 0.091 120.066 119.914 0.102 0.000 2.427 62 V HA 0.267 4.387 4.120 -0.000 0.000 0.286 62 V C 0.668 176.731 176.094 -0.052 0.000 1.034 62 V CA 0.345 62.593 62.300 -0.088 0.000 0.893 62 V CB 1.688 33.524 31.823 0.022 0.000 0.982 62 V HN 0.925 nan 8.190 nan 0.000 0.452 63 T N 6.469 120.862 114.554 -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 0.871 62.843 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 0.078 120.084 120.500 -0.822 0.000 2.752 64 R HA 0.571 4.911 4.340 -0.000 0.000 0.271 64 R C -3.344 172.430 176.300 -0.876 0.000 1.026 64 R CA -1.919 53.453 56.100 -1.214 0.000 0.901 64 R CB 0.241 30.163 30.300 -0.630 0.000 1.243 64 R HN -0.156 nan 8.270 nan 0.000 0.463 65 P HA 0.151 nan 4.420 nan 0.000 0.270 65 P C -0.967 176.255 177.300 -0.129 0.000 1.223 65 P CA -0.187 62.797 63.100 -0.193 0.000 0.785 65 P CB 0.409 32.067 31.700 -0.070 0.000 0.923 66 L N -0.603 120.606 121.223 -0.024 0.000 2.376 66 L HA 0.743 5.083 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 1.976 44.067 42.059 0.053 0.000 1.388 66 L HN 0.118 nan 8.230 nan 0.000 0.413 67 D N -0.360 120.106 120.400 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 0.097 0.000 0.870 67 D CB 1.555 42.398 40.800 0.072 0.000 1.160 67 D HN 0.630 nan 8.370 nan 0.000 0.549 68 R N 2.555 123.124 120.500 0.115 0.000 2.127 68 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 68 R C 0.901 177.247 176.300 0.076 0.000 1.134 68 R CA 1.224 57.397 56.100 0.121 0.000 0.975 68 R CB -0.180 30.176 30.300 0.093 0.000 0.865 68 R HN 0.251 nan 8.270 nan 0.000 0.447 69 E N 0.688 120.916 120.200 0.047 0.000 2.209 69 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 69 E C 1.659 178.244 176.600 -0.026 0.000 0.993 69 E CA 1.628 58.034 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 -1.420 118.778 120.200 -0.003 0.000 2.024 70 E HA 0.005 4.355 4.350 -0.000 0.000 0.190 70 E C -0.388 176.059 176.600 -0.254 0.000 0.974 70 E CA 0.518 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 0.404 120.731 120.300 0.044 0.000 2.346 71 Y HA 0.130 4.680 4.550 -0.000 0.000 0.332 71 Y C -0.360 175.590 175.900 0.083 0.000 0.985 71 Y CA -0.841 57.254 58.100 -0.009 0.000 1.112 71 Y CB 1.635 40.010 38.460 -0.142 0.000 1.170 71 Y HN 0.105 nan 8.280 nan 0.000 0.447 72 D N 1.099 121.598 120.400 0.166 0.000 2.349 72 D HA 0.105 4.745 4.640 -0.000 0.000 0.214 72 D C 0.026 176.440 176.300 0.190 0.000 1.063 72 D CA 0.207 54.304 54.000 0.162 0.000 0.847 72 D CB 0.680 41.531 40.800 0.086 0.000 0.933 72 D HN 0.446 nan 8.370 nan 0.000 0.513 73 K N -0.920 119.603 120.400 0.205 0.000 2.610 73 K HA 0.347 4.667 4.320 -0.000 0.000 0.278 73 K C -2.147 174.538 176.600 0.141 0.000 0.964 73 K CA -0.665 55.755 56.287 0.222 0.000 0.859 73 K CB 1.215 33.779 32.500 0.106 0.000 1.434 73 K HN -0.153 nan 8.250 nan 0.000 0.410 74 Y N -0.066 120.235 120.300 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 -0.815 57.247 58.100 -0.062 0.000 1.032 74 Y CB 2.453 40.819 38.460 -0.156 0.000 1.284 74 Y HN 0.178 nan 8.280 nan 0.000 0.466 75 V N 4.234 124.180 119.914 0.052 0.000 2.638 75 V HA 0.603 4.723 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 0.579 nan 8.190 nan 0.000 0.424 76 L N 2.483 123.676 121.223 -0.050 0.000 2.350 76 L HA 0.722 5.062 4.340 -0.000 0.000 0.260 76 L C -0.319 176.517 176.870 -0.055 0.000 1.015 76 L CA -0.602 54.206 54.840 -0.052 0.000 0.821 76 L CB 2.389 44.384 42.059 -0.107 0.000 1.370 76 L HN 0.579 nan 8.230 nan 0.000 0.416 77 S N 0.480 116.148 115.700 -0.052 0.000 2.478 77 S HA 0.616 5.086 4.470 -0.000 0.000 0.312 77 S C -0.573 173.839 174.600 -0.314 0.000 1.094 77 S CA -0.548 57.574 58.200 -0.129 0.000 1.081 77 S CB 1.153 64.330 63.200 -0.037 0.000 1.007 77 S HN 0.637 nan 8.310 nan 0.000 0.475 78 S N 4.700 120.169 115.700 -0.385 0.000 2.525 78 S HA 0.688 5.158 4.470 -0.000 0.000 0.290 78 S C -0.822 173.436 174.600 -0.571 0.000 1.152 78 S CA -0.771 57.207 58.200 -0.371 0.000 1.072 78 S CB 0.831 63.949 63.200 -0.137 0.000 1.027 78 S HN 0.792 nan 8.310 nan 0.000 0.500 79 H N 0.235 119.384 119.070 0.132 0.000 2.894 79 H HA 0.800 5.356 4.556 -0.000 0.000 0.368 79 H C -0.848 174.590 175.328 0.183 0.000 1.181 79 H CA -1.046 55.084 56.048 0.137 0.000 1.146 79 H CB 2.054 31.885 29.762 0.115 0.000 1.839 79 H HN 0.950 nan 8.280 nan 0.000 0.557 80 A N 1.591 124.562 122.820 0.253 0.000 2.547 80 A HA 0.476 4.796 4.320 -0.000 0.000 0.279 80 A C -0.559 177.061 177.584 0.060 0.000 1.088 80 A CA -0.568 51.521 52.037 0.087 0.000 0.796 80 A CB 0.363 19.417 19.000 0.090 0.000 1.308 80 A HN 0.442 nan 8.150 nan 0.000 0.415 81 V N 0.636 120.585 119.914 0.060 0.000 2.994 81 V HA 0.947 5.067 4.120 -0.000 0.000 0.318 81 V C 0.418 176.539 176.094 0.044 0.000 1.085 81 V CA -0.231 62.100 62.300 0.051 0.000 0.998 81 V CB 1.497 33.346 31.823 0.043 0.000 1.063 81 V HN 1.306 nan 8.190 nan 0.000 0.447 82 S N 0.561 116.288 115.700 0.046 0.000 2.652 82 S HA 0.405 4.875 4.470 -0.000 0.000 0.270 82 S C 0.681 175.318 174.600 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 64.626 63.200 0.107 0.000 0.973 82 S HN 0.788 nan 8.310 nan 0.000 0.544 83 E N 2.033 122.280 120.200 0.078 0.000 2.077 83 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 83 E C 2.056 178.671 176.600 0.026 0.000 0.989 83 E CA 1.510 57.935 56.400 0.042 0.000 0.800 83 E CB -0.698 29.032 29.700 0.051 0.000 0.746 83 E HN 0.876 nan 8.360 nan 0.000 0.452 84 N N 0.050 118.791 118.700 0.067 0.000 2.192 84 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 84 N C 1.352 176.870 175.510 0.013 0.000 1.013 84 N CA 1.690 54.771 53.050 0.053 0.000 0.863 84 N CB -0.010 38.533 38.487 0.095 0.000 0.990 84 N HN 0.259 nan 8.380 nan 0.000 0.430 85 G N -1.067 107.737 108.800 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 45.099 45.100 -0.021 0.000 0.684 85 G HN 0.429 nan 8.290 nan 0.000 0.489 86 S N 1.753 117.453 115.700 -0.000 0.000 2.541 86 S HA 0.667 5.137 4.470 -0.000 0.000 0.283 86 S C -2.378 172.226 174.600 0.007 0.000 1.196 86 S CA -0.977 57.220 58.200 -0.005 0.000 1.062 86 S CB 2.148 65.338 63.200 -0.017 0.000 1.009 86 S HN 0.131 nan 8.310 nan 0.000 0.502 87 P HA 0.158 nan 4.420 nan 0.000 0.272 87 P C 0.171 177.487 177.300 0.027 0.000 1.223 87 P CA -0.284 62.833 63.100 0.029 0.000 0.784 87 P CB 0.643 32.360 31.700 0.029 0.000 0.923 88 V N -0.166 119.774 119.914 0.043 0.000 3.219 88 V HA 0.189 4.309 4.120 -0.000 0.000 0.240 88 V C 0.469 176.590 176.094 0.046 0.000 1.222 88 V CA 0.874 63.196 62.300 0.036 0.000 1.181 88 V CB -0.342 31.506 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 0.505 4.855 4.350 -0.000 0.000 0.268 89 E C -0.924 175.723 176.600 0.079 0.000 0.902 89 E CA -0.785 55.657 56.400 0.070 0.000 0.779 89 E CB 2.332 32.081 29.700 0.081 0.000 1.172 89 E HN 0.217 nan 8.360 nan 0.000 0.409 90 E N 2.741 122.979 120.200 0.063 0.000 2.465 90 E HA 0.099 4.449 4.350 -0.000 0.000 0.260 90 E C -2.194 174.449 176.600 0.073 0.000 0.980 90 E CA -1.091 55.348 56.400 0.065 0.000 0.927 90 E CB 0.138 29.866 29.700 0.046 0.000 0.934 90 E HN 0.121 nan 8.360 nan 0.000 0.459 91 P HA -0.062 nan 4.420 nan 0.000 0.274 91 P C -0.632 176.660 177.300 -0.013 0.000 1.248 91 P CA 0.540 63.669 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 0.375 119.925 119.600 -0.083 0.000 2.224 92 M HA 0.156 4.636 4.480 -0.000 0.000 0.281 92 M C -0.300 175.958 176.300 -0.070 0.000 1.025 92 M CA -0.528 54.739 55.300 -0.054 0.000 0.954 92 M CB 1.922 34.499 32.600 -0.040 0.000 1.639 92 M HN 0.361 nan 8.290 nan 0.000 0.461 93 E N 3.678 123.855 120.200 -0.039 0.000 2.413 93 E HA 0.323 4.673 4.350 -0.000 0.000 0.263 93 E C -1.405 175.170 176.600 -0.042 0.000 1.015 93 E CA 0.305 56.683 56.400 -0.036 0.000 0.916 93 E CB 0.865 30.556 29.700 -0.015 0.000 0.947 93 E HN 0.570 nan 8.360 nan 0.000 0.440 94 I N 2.960 123.499 120.570 -0.051 0.000 2.569 94 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 94 I C -0.794 175.285 176.117 -0.063 0.000 1.088 94 I CA -0.611 60.652 61.300 -0.062 0.000 1.047 94 I CB 2.446 40.392 38.000 -0.090 0.000 1.237 94 I HN 0.434 nan 8.210 nan 0.000 0.421 95 T N 6.446 120.971 114.554 -0.049 0.000 2.863 95 T HA 0.697 5.047 4.350 -0.000 0.000 0.285 95 T C -0.432 174.246 174.700 -0.037 0.000 1.009 95 T CA -0.485 61.595 62.100 -0.033 0.000 0.989 95 T CB 1.922 70.787 68.868 -0.004 0.000 1.004 95 T HN 0.272 nan 8.240 nan 0.000 0.455 96 I N 2.968 123.527 120.570 -0.020 0.000 2.499 96 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 96 I C -0.683 175.482 176.117 0.080 0.000 1.048 96 I CA -0.969 60.328 61.300 -0.005 0.000 1.062 96 I CB 1.880 39.815 38.000 -0.109 0.000 1.238 96 I HN 0.459 nan 8.210 nan 0.000 0.426 97 N N 5.454 124.199 118.700 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 52.652 53.050 0.095 0.000 0.894 97 N CB 2.962 41.488 38.487 0.065 0.000 1.173 97 N HN 0.190 nan 8.380 nan 0.000 0.487 98 V N 3.748 123.744 119.914 0.136 0.000 2.334 98 V HA 0.330 4.450 4.120 -0.000 0.000 0.267 98 V C 0.746 176.897 176.094 0.094 0.000 1.040 98 V CA -0.707 61.672 62.300 0.131 0.000 0.866 98 V CB 0.055 31.990 31.823 0.186 0.000 1.019 98 V HN 0.487 nan 8.190 nan 0.000 0.468 99 I N 3.905 124.519 120.570 0.074 0.000 2.533 99 I HA 0.106 4.276 4.170 -0.000 0.000 0.284 99 I C 0.901 177.048 176.117 0.050 0.000 1.109 99 I CA 0.170 61.503 61.300 0.055 0.000 1.412 99 I CB 0.270 38.297 38.000 0.045 0.000 1.396 99 I HN 0.590 nan 8.210 nan 0.000 0.543 100 D N 6.482 126.907 120.400 0.041 0.000 2.400 100 D HA 0.077 4.717 4.640 -0.000 0.000 0.238 100 D C -0.586 175.730 176.300 0.028 0.000 1.157 100 D CA 0.470 54.491 54.000 0.034 0.000 0.889 100 D CB 0.950 41.765 40.800 0.024 0.000 1.199 100 D HN 0.527 nan 8.370 nan 0.000 0.436 101 Q N 1.635 121.450 119.800 0.025 0.000 2.359 101 Q HA 0.142 4.482 4.340 -0.000 0.000 0.274 101 Q C -0.896 175.112 176.000 0.014 0.000 1.074 101 Q CA -0.841 54.974 55.803 0.020 0.000 0.810 101 Q CB 1.553 30.306 28.738 0.025 0.000 1.342 101 Q HN 0.345 nan 8.270 nan 0.000 0.427 102 N N 1.785 120.489 118.700 0.008 0.000 2.814 102 N HA -0.061 4.679 4.740 -0.000 0.000 0.304 102 N C -0.508 175.004 175.510 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 -1.419 118.985 120.400 0.007 0.000 2.407 103 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 103 D C -0.392 175.911 176.300 0.005 0.000 1.083 103 D CA 0.038 54.043 54.000 0.009 0.000 0.844 103 D CB 0.006 40.815 40.800 0.016 0.000 0.967 103 D HN 0.085 nan 8.370 nan 0.000 0.506 104 N N 1.124 119.824 118.700 -0.000 0.000 2.392 104 N HA 0.234 4.974 4.740 -0.000 0.000 0.283 104 N C -0.798 174.705 175.510 -0.012 0.000 1.003 104 N CA -0.523 52.525 53.050 -0.004 0.000 0.892 104 N CB 2.284 40.767 38.487 -0.005 0.000 1.193 104 N HN 0.108 nan 8.380 nan 0.000 0.487 105 R N 2.877 123.373 120.500 -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 -0.932 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 -1.520 175.748 177.300 -0.054 0.000 1.293 106 P CA -0.277 62.776 63.100 -0.078 0.000 0.770 106 P CB 0.668 32.279 31.700 -0.149 0.000 1.206 107 K N -0.426 119.930 120.400 -0.074 0.000 2.561 107 K HA 0.384 4.704 4.320 -0.000 0.000 0.254 107 K C -1.149 175.463 176.600 0.020 0.000 0.942 107 K CA -0.572 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 2.170 122.196 119.950 0.127 0.000 2.518 108 F HA 0.035 4.562 4.527 -0.000 0.000 0.359 108 F C 1.961 177.881 175.800 0.200 0.000 1.118 108 F CA 0.484 58.612 58.000 0.214 0.000 1.287 108 F CB 1.175 40.351 39.000 0.293 0.000 1.132 108 F HN 0.692 nan 8.300 nan 0.000 0.587 109 T N 1.220 116.046 114.554 0.453 0.000 2.624 109 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 109 T C 0.684 175.445 174.700 0.101 0.000 1.041 109 T CA 1.545 63.806 62.100 0.268 0.000 1.159 109 T CB -0.159 68.902 68.868 0.323 0.000 0.863 109 T HN 0.542 nan 8.240 nan 0.000 0.434 110 Q N -0.383 119.379 119.800 -0.065 0.000 2.333 110 Q HA 0.388 4.728 4.340 -0.000 0.000 0.266 110 Q C 0.338 176.228 176.000 -0.183 0.000 1.053 110 Q CA -0.674 54.913 55.803 -0.361 0.000 0.890 110 Q CB 0.997 29.169 28.738 -0.943 0.000 1.337 110 Q HN -0.029 nan 8.270 nan 0.000 0.474 111 D N -0.521 119.770 120.400 -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 0.343 54.296 54.000 -0.079 0.000 0.871 111 D CB 0.790 41.556 40.800 -0.056 0.000 0.943 111 D HN 0.295 nan 8.370 nan 0.000 0.518 112 V N -1.794 117.994 119.914 -0.211 0.000 2.823 112 V HA 0.468 4.588 4.120 -0.000 0.000 0.296 112 V C -0.995 174.969 176.094 -0.217 0.000 1.250 112 V CA -1.133 61.102 62.300 -0.109 0.000 0.939 112 V CB 0.712 32.492 31.823 -0.072 0.000 1.062 112 V HN -0.143 nan 8.190 nan 0.000 0.433 113 F N 2.351 122.256 119.950 -0.075 0.000 2.458 113 F HA 0.834 5.361 4.527 -0.000 0.000 0.330 113 F C 0.745 176.509 175.800 -0.060 0.000 1.082 113 F CA -0.673 57.293 58.000 -0.056 0.000 0.995 113 F CB 2.128 41.095 39.000 -0.056 0.000 1.170 113 F HN 0.422 nan 8.300 nan 0.000 0.478 114 R N 0.565 121.134 120.500 0.116 0.000 2.854 114 R HA 0.838 5.178 4.340 -0.000 0.000 0.271 114 R C -0.455 175.870 176.300 0.042 0.000 0.996 114 R CA -1.114 55.017 56.100 0.052 0.000 0.961 114 R CB 2.249 32.561 30.300 0.019 0.000 1.182 114 R HN 0.894 nan 8.270 nan 0.000 0.479 115 G N -0.386 108.424 108.800 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 -1.616 114.097 115.700 0.022 0.000 2.537 116 S HA 0.807 5.277 4.470 -0.000 0.000 0.271 116 S C -1.113 173.516 174.600 0.049 0.000 1.148 116 S CA -0.534 57.691 58.200 0.042 0.000 0.868 116 S CB 1.646 64.869 63.200 0.037 0.000 1.115 116 S HN 1.671 nan 8.310 nan 0.000 0.461 117 V N 0.410 120.367 119.914 0.072 0.000 3.178 117 V HA 0.665 4.785 4.120 -0.000 0.000 0.302 117 V C -0.311 175.830 176.094 0.078 0.000 1.262 117 V CA -1.179 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 1.125 121.664 120.500 0.064 0.000 2.410 118 R HA 0.314 4.654 4.340 -0.000 0.000 0.288 118 R C 1.534 177.873 176.300 0.066 0.000 1.051 118 R CA 0.133 56.270 56.100 0.062 0.000 1.021 118 R CB 1.201 31.530 30.300 0.048 0.000 1.032 118 R HN 0.999 nan 8.270 nan 0.000 0.481 119 E N 2.808 123.053 120.200 0.074 0.000 2.118 119 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 119 E C 1.011 177.643 176.600 0.053 0.000 0.992 119 E CA 1.509 57.955 56.400 0.076 0.000 0.804 119 E CB -0.179 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 2.053 110.881 108.800 0.047 0.000 2.985 120 G HA2 0.106 4.066 3.960 -0.000 0.000 0.209 120 G HA3 0.106 4.066 3.960 -0.000 0.000 0.209 120 G C 0.788 175.703 174.900 0.025 0.000 1.165 120 G CA 0.325 45.447 45.100 0.036 0.000 0.776 120 G HN 0.269 nan 8.290 nan 0.000 0.541 121 V N -2.182 117.746 119.914 0.024 0.000 3.237 121 V HA 0.322 4.442 4.120 -0.000 0.000 0.305 121 V C -0.073 176.022 176.094 0.002 0.000 1.096 121 V CA -0.862 61.447 62.300 0.016 0.000 1.130 121 V CB 0.918 32.754 31.823 0.021 0.000 1.048 121 V HN 0.250 nan 8.190 nan 0.000 0.484 122 Q N 2.837 122.637 119.800 -0.000 0.000 2.259 122 Q HA 0.395 4.735 4.340 -0.000 0.000 0.246 122 Q C -2.352 173.637 176.000 -0.018 0.000 0.920 122 Q CA -1.840 53.957 55.803 -0.009 0.000 0.895 122 Q CB 1.316 30.051 28.738 -0.005 0.000 1.220 122 Q HN 0.705 nan 8.270 nan 0.000 0.439 123 P HA -0.070 nan 4.420 nan 0.000 0.264 123 P C 0.180 177.466 177.300 -0.023 0.000 1.193 123 P CA 0.717 63.793 63.100 -0.040 0.000 0.763 123 P CB 0.418 32.089 31.700 -0.048 0.000 0.810 124 G N 1.473 110.262 108.800 -0.018 0.000 2.145 124 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.176 124 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.176 124 G C -0.127 174.775 174.900 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 0.816 115.375 114.554 0.009 0.000 2.771 125 T HA 0.501 4.851 4.350 -0.000 0.000 0.281 125 T C 0.204 174.922 174.700 0.030 0.000 0.982 125 T CA -0.327 61.783 62.100 0.018 0.000 0.978 125 T CB 1.878 70.758 68.868 0.019 0.000 0.930 125 T HN 0.438 nan 8.240 nan 0.000 0.447 126 Q N 3.506 123.319 119.800 0.021 0.000 2.271 126 Q HA 0.258 4.598 4.340 -0.000 0.000 0.273 126 Q C 0.285 176.297 176.000 0.020 0.000 1.051 126 Q CA -0.155 55.658 55.803 0.017 0.000 0.901 126 Q CB 0.802 29.544 28.738 0.006 0.000 1.174 126 Q HN 0.620 nan 8.270 nan 0.000 0.385 127 V N 4.794 124.720 119.914 0.019 0.000 3.064 127 V HA 0.204 4.324 4.120 -0.000 0.000 0.215 127 V C 0.753 176.836 176.094 -0.018 0.000 1.167 127 V CA 0.403 62.710 62.300 0.011 0.000 1.286 127 V CB 0.317 32.149 31.823 0.017 0.000 1.103 127 V HN 0.917 nan 8.190 nan 0.000 0.510 128 M N 0.204 119.772 119.600 -0.053 0.000 2.356 128 M HA 0.710 5.190 4.480 -0.000 0.000 0.219 128 M C -0.460 175.794 176.300 -0.075 0.000 1.004 128 M CA 0.082 55.346 55.300 -0.060 0.000 1.427 128 M CB 1.417 33.961 32.600 -0.092 0.000 1.197 128 M HN 0.536 nan 8.290 nan 0.000 0.739 129 A N 0.054 122.817 122.820 -0.095 0.000 2.547 129 A HA 0.647 4.967 4.320 -0.000 0.000 0.298 129 A C -1.719 175.734 177.584 -0.217 0.000 1.062 129 A CA -0.626 51.331 52.037 -0.134 0.000 0.748 129 A CB 1.071 20.034 19.000 -0.063 0.000 1.288 129 A HN 0.457 nan 8.150 nan 0.000 0.396 130 V N 1.337 121.013 119.914 -0.396 0.000 2.876 130 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 130 V C 0.107 175.922 176.094 -0.465 0.000 1.085 130 V CA -0.449 61.427 62.300 -0.707 0.000 0.945 130 V CB 2.370 33.678 31.823 -0.859 0.000 1.017 130 V HN 1.036 nan 8.190 nan 0.000 0.428 131 S N 1.495 117.086 115.700 -0.182 0.000 2.634 131 S HA 1.013 5.483 4.470 -0.000 0.000 0.296 131 S C -0.435 174.315 174.600 0.250 0.000 1.104 131 S CA -0.186 58.077 58.200 0.105 0.000 0.920 131 S CB 2.101 65.431 63.200 0.217 0.000 1.111 131 S HN 1.420 nan 8.310 nan 0.000 0.493 132 A N 0.826 123.744 122.820 0.165 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 19.424 19.000 -0.397 0.000 1.299 132 A HN 1.065 nan 8.150 nan 0.000 0.427 133 T N -1.197 113.326 114.554 -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 2.619 134 D HA 0.327 4.967 4.640 -0.000 0.000 0.241 134 D C 0.300 176.583 176.300 -0.029 0.000 1.087 134 D CA -0.504 53.467 54.000 -0.048 0.000 0.851 134 D CB 2.666 43.428 40.800 -0.063 0.000 1.474 134 D HN 0.730 nan 8.370 nan 0.000 0.478 135 E N 1.160 121.348 120.200 -0.020 0.000 2.385 135 E HA 0.001 4.351 4.350 -0.000 0.000 0.194 135 E C -0.102 176.492 176.600 -0.010 0.000 1.013 135 E CA -0.058 56.334 56.400 -0.013 0.000 0.866 135 E CB 0.456 30.150 29.700 -0.009 0.000 0.832 135 E HN 0.481 nan 8.360 nan 0.000 0.500 136 D N 1.181 121.574 120.400 -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 0.148 54.145 54.000 -0.006 0.000 0.958 136 D CB 0.312 41.108 40.800 -0.007 0.000 1.114 136 D HN -0.019 nan 8.370 nan 0.000 0.496 137 D N -0.956 119.443 120.400 -0.001 0.000 2.390 137 D HA -0.021 4.619 4.640 -0.000 0.000 0.236 137 D C 0.082 176.377 176.300 -0.008 0.000 1.189 137 D CA 0.258 54.258 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 0.571 nan 8.370 nan 0.000 0.444 138 N N 2.006 120.702 118.700 -0.008 0.000 2.423 138 N HA 0.126 4.866 4.740 -0.000 0.000 0.262 138 N C -0.049 175.457 175.510 -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 38.548 38.487 -0.018 0.000 1.394 138 N HN 0.356 nan 8.380 nan 0.000 0.495 139 I N -0.880 119.688 120.570 -0.003 0.000 4.541 139 I HA 0.242 4.412 4.170 -0.000 0.000 0.337 139 I C -0.480 175.638 176.117 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 -0.271 120.129 120.400 0.001 0.000 2.412 140 D HA 0.150 4.790 4.640 -0.000 0.000 0.326 140 D C 0.373 176.674 176.300 0.001 0.000 1.209 140 D CA 0.553 54.554 54.000 0.003 0.000 0.876 140 D CB 1.049 41.854 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 1.236 64.434 63.200 -0.003 0.000 1.216 141 S HN -0.027 nan 8.310 nan 0.000 0.532 142 L N 0.983 122.196 121.223 -0.016 0.000 2.808 142 L HA 0.329 4.669 4.340 -0.000 0.000 0.246 142 L C 0.769 177.620 176.870 -0.031 0.000 1.153 142 L CA -0.172 54.652 54.840 -0.026 0.000 0.956 142 L CB -0.473 41.570 42.059 -0.027 0.000 1.270 142 L HN 0.537 nan 8.230 nan 0.000 0.528 143 N N 1.325 120.012 118.700 -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 1.263 54.299 53.050 -0.023 0.000 0.907 143 N CB -0.071 38.409 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 0.268 4.228 3.960 -0.000 0.000 0.287 144 G HA3 0.268 4.228 3.960 -0.000 0.000 0.287 144 G C -0.354 174.509 174.900 -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 -0.453 119.419 119.914 -0.071 0.000 2.435 145 V HA 0.793 4.913 4.120 -0.000 0.000 0.290 145 V C -0.525 175.483 176.094 -0.142 0.000 1.030 145 V CA -1.180 61.066 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 -0.091 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 1.362 43.099 42.059 -0.537 0.000 1.267 146 L HN 0.938 nan 8.230 nan 0.000 0.457 147 S N -0.237 115.203 115.700 -0.432 0.000 2.672 147 S HA 0.627 5.097 4.470 -0.000 0.000 0.291 147 S C -1.071 173.336 174.600 -0.322 0.000 1.145 147 S CA -0.434 57.582 58.200 -0.307 0.000 1.013 147 S CB 0.403 63.521 63.200 -0.138 0.000 1.017 147 S HN 0.311 nan 8.310 nan 0.000 0.487 148 Y N 2.552 122.832 120.300 -0.034 0.000 2.307 148 Y HA 0.644 5.194 4.550 -0.000 0.000 0.324 148 Y C 1.134 177.034 175.900 -0.000 0.000 1.238 148 Y CA -0.083 58.005 58.100 -0.021 0.000 1.280 148 Y CB 1.503 39.946 38.460 -0.029 0.000 1.248 148 Y HN 0.793 nan 8.280 nan 0.000 0.508 149 S N 0.836 116.651 115.700 0.192 0.000 2.636 149 S HA 0.785 5.255 4.470 -0.000 0.000 0.268 149 S C -1.540 173.120 174.600 0.099 0.000 1.159 149 S CA -0.997 57.271 58.200 0.113 0.000 0.815 149 S CB 1.268 64.514 63.200 0.076 0.000 1.130 149 S HN 0.514 nan 8.310 nan 0.000 0.471 150 I N 0.900 121.511 120.570 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 60.250 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 2.016 123.265 121.223 0.043 0.000 3.521 151 L HA 0.537 4.877 4.340 -0.000 0.000 0.323 151 L C -0.105 176.788 176.870 0.038 0.000 1.268 151 L CA -0.342 54.522 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 1.756 122.181 120.400 0.042 0.000 2.372 152 K HA 0.239 4.559 4.320 -0.000 0.000 0.354 152 K C -1.515 175.123 176.600 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 0.315 4.655 4.340 -0.000 0.000 0.255 153 Q C -0.462 175.636 176.000 0.163 0.000 0.920 153 Q CA -0.787 55.108 55.803 0.154 0.000 0.927 153 Q CB 1.860 30.736 28.738 0.230 0.000 1.229 153 Q HN 0.342 nan 8.270 nan 0.000 0.433 154 D N 2.793 123.289 120.400 0.159 0.000 2.325 154 D HA 0.202 4.842 4.640 -0.000 0.000 0.262 154 D C -2.055 174.319 176.300 0.124 0.000 1.263 154 D CA -1.432 52.633 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 -0.613 30.996 31.700 -0.152 0.000 1.908 156 E N -0.031 120.205 120.200 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 0.580 57.007 56.400 0.044 0.000 1.000 156 E CB -0.075 29.645 29.700 0.034 0.000 1.052 156 E HN 0.302 nan 8.360 nan 0.000 0.497 157 E N -1.882 118.272 120.200 -0.077 0.000 2.314 157 E HA 0.274 4.624 4.350 -0.000 0.000 0.272 157 E C -2.179 174.067 176.600 -0.591 0.000 0.884 157 E CA -2.288 53.969 56.400 -0.237 0.000 0.753 157 E CB 1.600 31.207 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 -0.087 177.123 177.300 -0.150 0.000 1.153 158 P CA 1.377 64.302 63.100 -0.291 0.000 0.853 158 P CB 0.073 31.641 31.700 -0.218 0.000 0.788 159 I N -7.346 113.137 120.570 -0.146 0.000 3.279 159 I HA 0.526 4.696 4.170 -0.000 0.000 0.315 159 I C -2.597 173.465 176.117 -0.091 0.000 1.187 159 I CA -2.699 58.541 61.300 -0.099 0.000 0.953 159 I CB 2.626 40.564 38.000 -0.103 0.000 1.279 159 I HN -0.366 nan 8.210 nan 0.000 0.465 160 P HA 0.314 nan 4.420 nan 0.000 0.288 160 P C -1.144 176.129 177.300 -0.045 0.000 1.682 160 P CA -0.096 62.984 63.100 -0.033 0.000 1.270 160 P CB -0.415 31.283 31.700 -0.003 0.000 1.596 161 N N 0.079 118.716 118.700 -0.104 0.000 2.646 161 N HA 0.230 4.970 4.740 -0.000 0.000 0.303 161 N C 1.005 176.372 175.510 -0.239 0.000 1.921 161 N CA -0.348 52.637 53.050 -0.108 0.000 0.872 161 N CB 0.238 38.680 38.487 -0.075 0.000 1.327 161 N HN -0.090 nan 8.380 nan 0.000 0.492 162 L N -0.708 120.247 121.223 -0.447 0.000 2.201 162 L HA 0.132 4.472 4.340 -0.000 0.000 0.212 162 L C -0.309 175.926 176.870 -1.058 0.000 1.105 162 L CA 1.256 55.541 54.840 -0.924 0.000 0.775 162 L CB -0.317 40.819 42.059 -1.538 0.000 0.913 162 L HN 0.224 nan 8.230 nan 0.000 0.440 163 F N -2.689 117.187 119.950 -0.125 0.000 2.675 163 F HA 0.637 5.164 4.527 -0.000 0.000 0.324 163 F C 0.060 175.824 175.800 -0.062 0.000 1.106 163 F CA -1.012 56.933 58.000 -0.092 0.000 0.970 163 F CB 1.404 40.344 39.000 -0.099 0.000 1.385 163 F HN -0.491 nan 8.300 nan 0.000 0.489 164 T N 0.426 115.087 114.554 0.179 0.000 2.816 164 T HA 0.742 5.092 4.350 -0.000 0.000 0.299 164 T C -1.943 172.793 174.700 0.061 0.000 1.230 164 T CA -0.531 61.621 62.100 0.086 0.000 1.007 164 T CB 1.707 70.602 68.868 0.046 0.000 1.289 164 T HN 0.708 nan 8.240 nan 0.000 0.508 165 I N 2.507 123.099 120.570 0.036 0.000 2.647 165 I HA 0.484 4.654 4.170 -0.000 0.000 0.295 165 I C -0.668 175.463 176.117 0.024 0.000 1.078 165 I CA -0.961 60.344 61.300 0.009 0.000 1.048 165 I CB 1.952 39.950 38.000 -0.002 0.000 1.239 165 I HN 0.564 nan 8.210 nan 0.000 0.421 166 N N 6.474 125.178 118.700 0.007 0.000 2.405 166 N HA 0.089 4.829 4.740 -0.000 0.000 0.260 166 N C 0.945 176.510 175.510 0.090 0.000 1.152 166 N CA 0.350 53.419 53.050 0.031 0.000 0.948 166 N CB 0.912 39.405 38.487 0.010 0.000 1.111 166 N HN 0.715 nan 8.380 nan 0.000 0.485 167 R N 3.195 123.757 120.500 0.104 0.000 2.117 167 R HA -0.196 4.144 4.340 -0.000 0.000 0.243 167 R C 1.498 177.927 176.300 0.215 0.000 1.143 167 R CA 1.778 57.967 56.100 0.149 0.000 0.968 167 R CB 0.100 30.440 30.300 0.067 0.000 0.863 167 R HN 0.726 nan 8.270 nan 0.000 0.444 168 E N -0.884 119.408 120.200 0.153 0.000 2.060 168 E HA -0.110 4.240 4.350 -0.000 0.000 0.189 168 E C 1.571 178.320 176.600 0.248 0.000 0.974 168 E CA 1.583 58.071 56.400 0.145 0.000 0.808 168 E CB 0.124 29.866 29.700 0.070 0.000 0.768 168 E HN 0.513 nan 8.360 nan 0.000 0.453 169 T N -3.498 111.146 114.554 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 0.667 62.798 62.100 0.052 0.000 1.109 169 T CB 0.452 69.318 68.868 -0.004 0.000 0.921 169 T HN 0.339 nan 8.240 nan 0.000 0.488 170 G N 1.016 109.652 108.800 -0.273 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 0.014 44.661 45.100 -0.755 0.000 0.670 170 G HN 0.772 nan 8.290 nan 0.000 0.528 171 V N 1.095 120.886 119.914 -0.206 0.000 2.649 171 V HA 0.613 4.733 4.120 -0.000 0.000 0.292 171 V C 1.024 177.059 176.094 -0.099 0.000 1.055 171 V CA -0.414 61.803 62.300 -0.139 0.000 1.023 171 V CB 1.625 33.401 31.823 -0.078 0.000 0.992 171 V HN 0.305 nan 8.190 nan 0.000 0.480 172 I N 2.423 122.938 120.570 -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 61.281 61.300 -0.056 0.000 1.127 172 I CB 2.033 39.961 38.000 -0.120 0.000 1.304 172 I HN 0.611 nan 8.210 nan 0.000 0.446 173 S N 3.941 119.678 115.700 0.062 0.000 2.595 173 S HA 0.513 4.983 4.470 -0.000 0.000 0.281 173 S C -1.055 173.646 174.600 0.168 0.000 1.117 173 S CA -0.552 57.702 58.200 0.089 0.000 0.873 173 S CB 2.167 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 2.742 124.037 121.223 0.121 0.000 2.360 174 L HA 0.484 4.824 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 55.467 54.840 0.016 0.000 0.845 174 L CB 0.060 42.105 42.059 -0.022 0.000 1.143 174 L HN 0.855 nan 8.230 nan 0.000 0.452 175 I N 2.691 123.179 120.570 -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 0.052 108.722 108.800 -0.218 0.000 2.543 176 G HA2 0.468 4.428 3.960 -0.000 0.000 0.267 176 G HA3 0.468 4.428 3.960 -0.000 0.000 0.267 176 G C -0.711 174.085 174.900 -0.174 0.000 1.406 176 G CA 0.374 45.359 45.100 -0.193 0.000 1.048 176 G HN 0.257 nan 8.290 nan 0.000 0.548 177 T N -4.918 109.547 114.554 -0.148 0.000 3.032 177 T HA 0.581 4.931 4.350 -0.000 0.000 0.312 177 T C 0.076 174.721 174.700 -0.093 0.000 1.078 177 T CA 0.323 62.359 62.100 -0.107 0.000 1.028 177 T CB 1.634 70.463 68.868 -0.066 0.000 1.091 177 T HN 2.100 nan 8.240 nan 0.000 0.457 178 G N 2.078 110.837 108.800 -0.067 0.000 2.731 178 G HA2 0.027 3.987 3.960 -0.000 0.000 0.219 178 G HA3 0.027 3.987 3.960 -0.000 0.000 0.219 178 G C -0.219 174.688 174.900 0.011 0.000 0.989 178 G CA -0.774 44.308 45.100 -0.030 0.000 0.871 178 G HN 0.891 nan 8.290 nan 0.000 0.591 179 L N 1.605 122.833 121.223 0.008 0.000 2.462 179 L HA 0.485 4.825 4.340 -0.000 0.000 0.272 179 L C -0.285 176.664 176.870 0.133 0.000 1.166 179 L CA 0.157 55.044 54.840 0.078 0.000 0.880 179 L CB 0.916 43.005 42.059 0.049 0.000 1.142 179 L HN 0.164 nan 8.230 nan 0.000 0.473 180 D N 2.501 123.032 120.400 0.219 0.000 2.855 180 D HA 0.158 4.798 4.640 -0.000 0.000 0.241 180 D C 0.549 176.963 176.300 0.190 0.000 1.277 180 D CA -0.610 53.502 54.000 0.187 0.000 0.918 180 D CB 1.524 42.441 40.800 0.194 0.000 1.462 180 D HN 0.366 nan 8.370 nan 0.000 0.559 181 R N 2.469 123.044 120.500 0.126 0.000 2.075 181 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 181 R C 0.769 177.097 176.300 0.047 0.000 1.126 181 R CA 1.456 57.614 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 0.168 120.389 120.200 0.035 0.000 2.209 182 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 182 E C 1.662 178.212 176.600 -0.084 0.000 0.993 182 E CA 1.435 57.829 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 0.335 nan 8.360 nan 0.000 0.477 183 K N -1.143 119.183 120.400 -0.123 0.000 2.344 183 K HA 0.195 4.515 4.320 -0.000 0.000 0.200 183 K C -0.383 175.773 176.600 -0.740 0.000 1.132 183 K CA 0.236 56.243 56.287 -0.467 0.000 0.935 183 K CB 0.684 32.829 32.500 -0.592 0.000 1.089 183 K HN -0.003 nan 8.250 nan 0.000 0.496 184 F N 1.533 121.478 119.950 -0.008 0.000 2.771 184 F HA 0.263 4.790 4.527 -0.000 0.000 0.365 184 F C -2.093 173.677 175.800 -0.051 0.000 1.169 184 F CA -1.721 56.230 58.000 -0.082 0.000 1.093 184 F CB 1.831 40.772 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 -0.174 177.173 177.300 0.078 0.000 1.188 185 P CA 0.724 63.873 63.100 0.081 0.000 0.794 185 P CB 1.239 32.958 31.700 0.032 0.000 0.937 186 E N -0.256 119.925 120.200 -0.033 0.000 2.317 186 E HA 0.269 4.619 4.350 -0.000 0.000 0.270 186 E C -1.376 175.166 176.600 -0.097 0.000 0.899 186 E CA -0.674 55.729 56.400 0.006 0.000 0.814 186 E CB 1.042 30.746 29.700 0.007 0.000 1.296 186 E HN -0.119 nan 8.360 nan 0.000 0.404 187 Y N 1.270 121.620 120.300 0.084 0.000 2.320 187 Y HA 0.367 4.917 4.550 -0.000 0.000 0.324 187 Y C 0.414 176.319 175.900 0.010 0.000 1.190 187 Y CA -0.320 57.824 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 4.827 119.471 114.554 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 68.693 68.868 0.031 0.000 0.981 188 T HN 0.491 nan 8.240 nan 0.000 0.457 189 L N 0.496 121.723 121.223 0.008 0.000 2.334 189 L HA 0.861 5.201 4.340 -0.000 0.000 0.273 189 L C -0.241 176.609 176.870 -0.033 0.000 1.013 189 L CA -1.011 53.827 54.840 -0.004 0.000 0.816 189 L CB 1.417 43.450 42.059 -0.043 0.000 1.278 189 L HN 0.267 nan 8.230 nan 0.000 0.431 190 T N 2.352 116.897 114.554 -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 1.592 70.457 68.868 -0.005 0.000 0.923 190 T HN 0.607 nan 8.240 nan 0.000 0.468 191 V N 1.535 121.427 119.914 -0.037 0.000 2.994 191 V HA 0.785 4.905 4.120 -0.000 0.000 0.318 191 V C -0.686 175.523 176.094 0.191 0.000 1.085 191 V CA -0.972 61.361 62.300 0.055 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 1.168 121.146 119.800 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 0.236 0.000 1.068 192 Q CA -0.667 55.331 55.803 0.324 0.000 0.816 192 Q CB 2.483 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 1.774 124.637 122.820 0.072 0.000 2.386 193 A HA 0.866 5.186 4.320 -0.000 0.000 0.311 193 A C -1.067 176.418 177.584 -0.165 0.000 1.068 193 A CA -0.382 51.550 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 0.932 115.366 114.554 -0.200 0.000 2.906 194 T HA 0.420 4.770 4.350 -0.000 0.000 0.295 194 T C -0.966 173.648 174.700 -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 1.416 121.756 120.400 -0.099 0.000 2.400 195 D HA 0.190 4.830 4.640 -0.000 0.000 0.238 195 D C 0.963 177.221 176.300 -0.071 0.000 1.157 195 D CA 0.078 54.028 54.000 -0.082 0.000 0.889 195 D CB 0.222 40.989 40.800 -0.054 0.000 1.199 195 D HN 0.652 nan 8.370 nan 0.000 0.436 196 L N 1.667 122.852 121.223 -0.064 0.000 3.660 196 L HA -0.288 4.052 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 55.104 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 -1.551 118.603 120.200 -0.077 0.000 2.302 197 E HA -0.197 4.153 4.350 -0.000 0.000 0.186 197 E C 1.323 177.884 176.600 -0.065 0.000 1.444 197 E CA 0.652 57.006 56.400 -0.076 0.000 0.671 197 E CB -1.527 28.143 29.700 -0.050 0.000 1.122 197 E HN 1.017 nan 8.360 nan 0.000 0.366 198 G N -0.407 108.343 108.800 -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 0.889 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 1.729 53.749 52.037 -0.028 0.000 0.657 199 A CB -0.638 18.348 19.000 -0.024 0.000 0.852 199 A HN 1.519 nan 8.150 nan 0.000 0.454 200 G N 0.011 108.791 108.800 -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 0.117 45.201 45.100 -0.027 0.000 0.900 200 G HN 0.354 nan 8.290 nan 0.000 0.389 201 L N 0.203 121.409 121.223 -0.027 0.000 2.352 201 L HA 0.589 4.929 4.340 -0.000 0.000 0.269 201 L C -0.035 176.820 176.870 -0.025 0.000 1.034 201 L CA -0.696 54.133 54.840 -0.018 0.000 0.806 201 L CB 2.112 44.162 42.059 -0.014 0.000 1.244 201 L HN 0.481 nan 8.230 nan 0.000 0.447 202 S N 0.065 115.762 115.700 -0.005 0.000 2.632 202 S HA 0.913 5.383 4.470 -0.000 0.000 0.289 202 S C -0.593 174.034 174.600 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 -2.071 117.898 119.914 0.092 0.000 3.202 203 V HA 0.901 5.021 4.120 -0.000 0.000 0.306 203 V C -1.922 174.385 176.094 0.354 0.000 1.283 203 V CA -1.179 61.233 62.300 0.188 0.000 1.065 203 V CB 1.443 33.384 31.823 0.197 0.000 1.079 203 V HN 0.919 nan 8.190 nan 0.000 0.448 204 E N 0.028 120.437 120.200 0.348 0.000 2.299 204 E HA 0.887 5.237 4.350 -0.000 0.000 0.265 204 E C 0.032 176.533 176.600 -0.166 0.000 0.911 204 E CA 0.015 56.537 56.400 0.203 0.000 0.789 204 E CB 2.027 31.762 29.700 0.059 0.000 1.246 204 E HN 1.213 nan 8.360 nan 0.000 0.427 205 G N 0.253 108.689 108.800 -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 -1.232 173.446 174.900 -0.371 0.000 1.302 205 G CA -0.760 43.799 45.100 -0.902 0.000 0.880 205 G HN 0.244 nan 8.290 nan 0.000 0.574 206 K N -0.939 119.309 120.400 -0.254 0.000 2.575 206 K HA 0.585 4.905 4.320 -0.000 0.000 0.255 206 K C -1.411 175.174 176.600 -0.026 0.000 0.953 206 K CA -0.509 55.713 56.287 -0.109 0.000 0.840 206 K CB 2.297 34.756 32.500 -0.068 0.000 1.303 206 K HN 0.824 nan 8.250 nan 0.000 0.438 207 A N 4.035 126.828 122.820 -0.045 0.000 2.371 207 A HA 0.796 5.116 4.320 -0.000 0.000 0.311 207 A C -1.039 176.523 177.584 -0.035 0.000 1.068 207 A CA -0.665 51.361 52.037 -0.018 0.000 0.744 207 A CB 0.723 19.661 19.000 -0.103 0.000 1.239 207 A HN 0.640 nan 8.150 nan 0.000 0.435 208 I N 2.714 123.278 120.570 -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 -0.132 176.053 176.117 0.114 0.000 0.992 209 I CA -0.558 60.763 61.300 0.035 0.000 1.154 209 I CB 1.504 39.483 38.000 -0.034 0.000 1.315 209 I HN 0.500 nan 8.210 nan 0.000 0.448 210 Q N 6.061 125.913 119.800 0.086 0.000 2.214 210 Q HA 0.570 4.910 4.340 -0.000 0.000 0.251 210 Q C -1.045 175.026 176.000 0.118 0.000 0.936 210 Q CA -0.712 55.148 55.803 0.094 0.000 0.894 210 Q CB 2.239 31.009 28.738 0.053 0.000 1.252 210 Q HN 0.601 nan 8.270 nan 0.000 0.448 211 I N 2.802 123.452 120.570 0.132 0.000 2.328 211 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 211 I C 0.579 176.751 176.117 0.091 0.000 1.012 211 I CA -0.415 60.966 61.300 0.136 0.000 1.195 211 I CB 1.614 39.731 38.000 0.194 0.000 1.350 211 I HN 0.500 nan 8.210 nan 0.000 0.464 212 T N 4.280 118.878 114.554 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 0.486 69.382 68.868 0.046 0.000 1.003 212 T HN 0.562 nan 8.240 nan 0.000 0.540 213 D N -0.654 119.774 120.400 0.046 0.000 2.272 213 D HA 0.581 5.221 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 53.522 54.000 0.049 0.000 0.931 213 D CB 1.789 42.613 40.800 0.040 0.000 1.195 213 D HN 0.627 nan 8.370 nan 0.000 0.477 214 A N 1.881 124.737 122.820 0.061 0.000 2.515 214 A HA 0.328 4.648 4.320 -0.000 0.000 0.296 214 A C -0.296 177.336 177.584 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 0.613 119.371 118.700 0.097 0.000 3.111 215 N HA 0.120 4.860 4.740 -0.000 0.000 0.302 215 N C -0.049 175.538 175.510 0.128 0.000 1.317 215 N CA 0.233 53.366 53.050 0.138 0.000 1.151 215 N CB -0.226 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 1.116 55.144 54.000 0.047 0.000 0.842 216 D CB 0.092 40.918 40.800 0.043 0.000 0.948 216 D HN 0.391 nan 8.370 nan 0.000 0.472 217 N N 0.241 118.958 118.700 0.028 0.000 2.430 217 N HA 0.536 5.276 4.740 -0.000 0.000 0.298 217 N C -0.810 174.669 175.510 -0.052 0.000 1.130 217 N CA -0.578 52.462 53.050 -0.017 0.000 0.894 217 N CB 1.961 40.456 38.487 0.014 0.000 1.209 217 N HN 0.005 nan 8.380 nan 0.000 0.503 218 A N 1.469 124.203 122.820 -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 50.408 52.037 -0.201 0.000 0.850 218 A CB 0.486 19.283 19.000 -0.339 0.000 1.207 218 A HN 0.393 nan 8.150 nan 0.000 0.495 219 P HA 0.522 nan 4.420 nan 0.000 0.284 219 P C -1.072 176.109 177.300 -0.199 0.000 1.253 219 P CA 0.043 63.029 63.100 -0.190 0.000 0.800 219 P CB 0.767 32.303 31.700 -0.273 0.000 0.961 220 I N 3.217 123.671 120.570 -0.194 0.000 2.447 220 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 220 I C -0.291 175.754 176.117 -0.120 0.000 1.023 220 I CA -0.908 60.327 61.300 -0.109 0.000 1.083 220 I CB 1.140 39.127 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 0.508 nan 8.300 nan 0.000 0.552 222 D N 3.529 124.058 120.400 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 0.179 54.258 54.000 0.132 0.000 0.905 222 D CB -0.193 40.642 40.800 0.058 0.000 0.895 222 D HN 0.356 nan 8.370 nan 0.000 0.532 223 P HA 0.299 nan 4.420 nan 0.000 0.293 223 P C 0.020 177.313 177.300 -0.013 0.000 1.303 223 P CA -0.414 62.558 63.100 -0.213 0.000 0.972 223 P CB 2.221 33.375 31.700 -0.911 0.000 1.377 224 K N -0.764 119.597 120.400 -0.064 0.000 2.399 224 K HA 0.208 4.528 4.320 -0.000 0.000 0.196 224 K C -0.305 176.262 176.600 -0.056 0.000 1.117 224 K CA 0.734 56.994 56.287 -0.044 0.000 0.965 224 K CB 0.383 32.868 32.500 -0.026 0.000 0.983 224 K HN 0.507 nan 8.250 nan 0.000 0.531 225 T N -1.056 113.472 114.554 -0.043 0.000 2.949 225 T HA 0.477 4.827 4.350 -0.000 0.000 0.300 225 T C -0.683 174.033 174.700 0.026 0.000 0.988 225 T CA -0.811 61.298 62.100 0.015 0.000 0.993 225 T CB 0.415 69.270 68.868 -0.022 0.000 0.984 225 T HN 0.008 nan 8.240 nan 0.000 0.442 226 Y N 1.463 121.712 120.300 -0.085 0.000 2.618 226 Y HA 0.811 5.361 4.550 -0.000 0.000 0.326 226 Y C 1.094 176.960 175.900 -0.056 0.000 1.168 226 Y CA -0.966 57.095 58.100 -0.065 0.000 1.269 226 Y CB 2.278 40.693 38.460 -0.075 0.000 1.388 226 Y HN 0.902 nan 8.280 nan 0.000 0.528 227 T N -1.153 113.497 114.554 0.159 0.000 2.932 227 T HA 0.860 5.210 4.350 -0.000 0.000 0.318 227 T C -1.292 173.444 174.700 0.059 0.000 1.265 227 T CA -0.733 61.411 62.100 0.073 0.000 1.036 227 T CB 1.578 70.473 68.868 0.044 0.000 1.209 227 T HN 1.065 nan 8.240 nan 0.000 0.484 228 A N 1.876 124.717 122.820 0.035 0.000 2.612 228 A HA 0.816 5.136 4.320 -0.000 0.000 0.293 228 A C -1.644 175.965 177.584 0.042 0.000 1.075 228 A CA -1.019 51.037 52.037 0.032 0.000 0.680 228 A CB 1.312 20.312 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 0.058 0.000 2.334 229 L HA 0.863 5.203 4.340 -0.000 0.000 0.270 229 L C -0.384 176.548 176.870 0.102 0.000 1.018 229 L CA -1.028 53.851 54.840 0.065 0.000 0.811 229 L CB 1.943 44.033 42.059 0.051 0.000 1.271 229 L HN 0.919 nan 8.230 nan 0.000 0.443 230 V N -0.342 119.615 119.914 0.073 0.000 3.120 230 V HA 0.657 4.777 4.120 -0.000 0.000 0.303 230 V C -3.024 173.049 176.094 -0.036 0.000 1.238 230 V CA -2.016 60.335 62.300 0.084 0.000 1.008 230 V CB 2.276 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 1.912 33.464 31.700 -0.247 0.000 1.046 232 E N 1.917 121.999 120.200 -0.197 0.000 2.033 232 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 232 E C 0.078 176.573 176.600 -0.174 0.000 1.011 232 E CA 1.447 57.715 56.400 -0.219 0.000 0.815 232 E CB -0.011 29.591 29.700 -0.163 0.000 0.755 232 E HN 0.369 nan 8.360 nan 0.000 0.451 233 N N -0.502 118.114 118.700 -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 1.272 121.403 120.200 -0.115 0.000 2.940 234 E HA 0.138 4.488 4.350 -0.000 0.000 0.203 234 E C 0.571 177.129 176.600 -0.070 0.000 0.995 234 E CA -0.192 56.150 56.400 -0.097 0.000 1.396 234 E CB 0.765 30.387 29.700 -0.131 0.000 1.310 234 E HN 0.592 nan 8.360 nan 0.000 0.613 235 I N 0.781 121.302 120.570 -0.082 0.000 3.276 235 I HA -0.089 4.081 4.170 -0.000 0.000 0.341 235 I C -0.025 176.093 176.117 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 6.838 115.676 108.800 0.063 0.000 1.974 236 G HA2 0.469 4.429 3.960 -0.000 0.000 0.303 236 G HA3 0.469 4.429 3.960 -0.000 0.000 0.303 236 G C -1.327 173.679 174.900 0.175 0.000 2.080 236 G CA -0.248 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 1.278 121.206 119.950 -0.037 0.000 2.665 237 F HA 0.698 5.225 4.527 -0.000 0.000 0.308 237 F C -0.465 175.324 175.800 -0.019 0.000 1.112 237 F CA -1.097 56.886 58.000 -0.028 0.000 0.972 237 F CB 1.597 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 -0.771 0.000 2.463 238 E HA 0.096 4.446 4.350 -0.000 0.000 0.248 238 E C 0.238 176.184 176.600 -1.090 0.000 1.106 238 E CA -0.004 55.942 56.400 -0.756 0.000 0.946 238 E CB 1.138 30.578 29.700 -0.433 0.000 0.971 238 E HN 0.731 nan 8.360 nan 0.000 0.478 239 V N 3.972 123.516 119.914 -0.616 0.000 2.256 239 V HA -0.047 4.073 4.120 -0.000 0.000 0.240 239 V C 0.317 176.255 176.094 -0.260 0.000 1.036 239 V CA 1.840 63.900 62.300 -0.399 0.000 1.008 239 V CB 0.216 31.917 31.823 -0.204 0.000 0.648 239 V HN 0.820 nan 8.190 nan 0.000 0.453 240 Q N -0.667 118.993 119.800 -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 -0.617 55.080 55.803 -0.176 0.000 0.820 240 Q CB 1.746 30.393 28.738 -0.151 0.000 1.436 240 Q HN 0.482 nan 8.270 nan 0.000 0.395 241 R N 1.362 121.776 120.500 -0.143 0.000 2.720 241 R HA 0.745 5.085 4.340 -0.000 0.000 0.272 241 R C -0.939 175.279 176.300 -0.136 0.000 0.991 241 R CA -0.737 55.279 56.100 -0.140 0.000 1.010 241 R CB 1.070 31.333 30.300 -0.062 0.000 1.141 241 R HN 0.547 nan 8.270 nan 0.000 0.494 242 L N 0.028 121.159 121.223 -0.153 0.000 2.354 242 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 242 L C -0.490 176.463 176.870 0.137 0.000 1.008 242 L CA -0.460 54.361 54.840 -0.032 0.000 0.819 242 L CB 2.300 44.209 42.059 -0.250 0.000 1.339 242 L HN 0.532 nan 8.230 nan 0.000 0.420 243 S N 0.668 116.548 115.700 0.301 0.000 2.537 243 S HA 0.939 5.409 4.470 -0.000 0.000 0.301 243 S C -0.674 174.006 174.600 0.134 0.000 1.092 243 S CA -0.710 57.593 58.200 0.173 0.000 1.048 243 S CB 2.203 65.492 63.200 0.148 0.000 1.053 243 S HN 0.592 nan 8.310 nan 0.000 0.501 244 V N -1.061 118.849 119.914 -0.006 0.000 3.258 244 V HA 0.950 5.070 4.120 -0.000 0.000 0.299 244 V C -1.198 174.822 176.094 -0.122 0.000 1.376 244 V CA -0.968 61.254 62.300 -0.130 0.000 1.063 244 V CB 1.696 33.319 31.823 -0.334 0.000 1.103 244 V HN 0.987 nan 8.190 nan 0.000 0.451 245 T N -1.043 113.433 114.554 -0.131 0.000 3.176 245 T HA 0.441 4.791 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 0.741 69.616 68.868 0.011 0.000 1.018 245 T HN 1.080 nan 8.240 nan 0.000 0.473 246 D N 2.121 122.452 120.400 -0.116 0.000 2.312 246 D HA 0.335 4.975 4.640 -0.000 0.000 0.248 246 D C 0.298 176.674 176.300 0.127 0.000 1.086 246 D CA -0.694 53.279 54.000 -0.044 0.000 0.948 246 D CB 1.511 42.239 40.800 -0.120 0.000 1.162 246 D HN 0.388 nan 8.370 nan 0.000 0.446 247 L N 1.985 123.282 121.223 0.122 0.000 2.766 247 L HA 0.174 4.514 4.340 -0.000 0.000 0.242 247 L C 0.837 177.790 176.870 0.137 0.000 1.136 247 L CA -0.121 54.799 54.840 0.134 0.000 0.933 247 L CB 0.017 42.114 42.059 0.063 0.000 1.241 247 L HN 0.275 nan 8.230 nan 0.000 0.522 248 D N -0.416 120.086 120.400 0.171 0.000 2.289 248 D HA 0.040 4.680 4.640 -0.000 0.000 0.266 248 D C 0.394 176.760 176.300 0.109 0.000 1.243 248 D CA -0.268 53.810 54.000 0.129 0.000 1.019 248 D CB 0.379 41.260 40.800 0.134 0.000 1.126 248 D HN -0.054 nan 8.370 nan 0.000 0.541 249 M N 1.125 120.754 119.600 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 1.208 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 64.728 63.100 -1.296 0.000 0.995 250 P CB -0.168 30.927 31.700 -1.008 0.000 0.762 251 G N -2.432 106.135 108.800 -0.388 0.000 2.708 251 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.210 251 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.210 251 G C 0.170 175.067 174.900 -0.006 0.000 1.141 251 G CA 0.489 45.497 45.100 -0.154 0.000 0.788 251 G HN 0.302 nan 8.290 nan 0.000 0.531 252 T N 0.792 115.360 114.554 0.024 0.000 2.907 252 T HA 0.342 4.692 4.350 -0.000 0.000 0.284 252 T C -1.845 172.958 174.700 0.171 0.000 1.004 252 T CA -1.179 60.974 62.100 0.088 0.000 1.063 252 T CB 2.155 71.058 68.868 0.059 0.000 0.992 252 T HN -0.240 nan 8.240 nan 0.000 0.483 253 P HA 0.064 nan 4.420 nan 0.000 0.234 253 P C 0.502 177.846 177.300 0.073 0.000 1.162 253 P CA 0.328 63.473 63.100 0.075 0.000 0.759 253 P CB 0.029 31.749 31.700 0.032 0.000 0.813 254 A N -3.621 119.274 122.820 0.125 0.000 2.465 254 A HA 0.195 4.515 4.320 -0.000 0.000 0.255 254 A C 1.111 178.825 177.584 0.217 0.000 1.274 254 A CA -0.271 51.847 52.037 0.134 0.000 0.920 254 A CB -0.803 18.274 19.000 0.127 0.000 1.033 254 A HN 0.291 nan 8.150 nan 0.000 0.516 255 W N -0.871 120.425 121.300 -0.006 0.000 2.121 255 W HA 0.290 4.950 4.660 -0.000 0.000 0.275 255 W C 0.171 176.674 176.519 -0.027 0.000 0.903 255 W CA 0.122 57.459 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 2.361 122.190 119.800 0.049 0.000 2.274 256 Q HA 0.514 4.854 4.340 -0.000 0.000 0.256 256 Q C -0.266 175.616 176.000 -0.196 0.000 0.927 256 Q CA 0.026 55.781 55.803 -0.081 0.000 0.939 256 Q CB 1.580 30.338 28.738 0.032 0.000 1.201 256 Q HN 0.117 nan 8.270 nan 0.000 0.426 257 A N 3.499 126.140 122.820 -0.299 0.000 2.316 257 A HA 0.577 4.897 4.320 -0.000 0.000 0.284 257 A C -0.696 176.661 177.584 -0.377 0.000 1.115 257 A CA -0.441 51.347 52.037 -0.414 0.000 0.812 257 A CB 0.938 19.618 19.000 -0.534 0.000 1.064 257 A HN 0.510 nan 8.150 nan 0.000 0.489 258 V N 2.469 122.091 119.914 -0.488 0.000 2.638 258 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 258 V C -0.983 174.859 176.094 -0.420 0.000 1.052 258 V CA -0.277 61.843 62.300 -0.300 0.000 0.885 258 V CB 1.110 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 3.050 123.346 120.300 -0.007 0.000 2.782 259 Y HA 0.854 5.404 4.550 -0.000 0.000 0.329 259 Y C 0.251 176.164 175.900 0.021 0.000 1.192 259 Y CA -1.006 57.106 58.100 0.019 0.000 1.216 259 Y CB 1.300 39.773 38.460 0.021 0.000 1.447 259 Y HN 0.587 nan 8.280 nan 0.000 0.616 260 K N 0.351 120.903 120.400 0.253 0.000 2.976 260 K HA 0.188 4.508 4.320 -0.000 0.000 0.326 260 K C -1.863 174.803 176.600 0.111 0.000 1.180 260 K CA -0.707 55.661 56.287 0.136 0.000 0.936 260 K CB 0.009 32.566 32.500 0.095 0.000 1.355 260 K HN 0.652 nan 8.250 nan 0.000 0.388 261 I N -0.239 120.376 120.570 0.074 0.000 2.834 261 I HA 0.335 4.505 4.170 -0.000 0.000 0.305 261 I C 0.882 177.033 176.117 0.056 0.000 1.008 261 I CA -0.671 60.657 61.300 0.048 0.000 1.273 261 I CB 1.061 39.086 38.000 0.042 0.000 1.432 261 I HN 0.753 nan 8.210 nan 0.000 0.557 262 R N 2.833 123.361 120.500 0.046 0.000 2.057 262 R HA 0.247 4.587 4.340 -0.000 0.000 0.224 262 R C -0.077 176.254 176.300 0.052 0.000 1.136 262 R CA 0.934 57.062 56.100 0.046 0.000 0.968 262 R CB -0.209 30.113 30.300 0.037 0.000 0.863 262 R HN 0.566 nan 8.270 nan 0.000 0.433 263 V N 2.431 122.382 119.914 0.062 0.000 2.483 263 V HA 0.218 4.338 4.120 -0.000 0.000 0.297 263 V C -0.542 175.625 176.094 0.122 0.000 1.027 263 V CA -0.898 61.449 62.300 0.077 0.000 0.855 263 V CB 1.911 33.778 31.823 0.073 0.000 0.995 263 V HN 0.170 nan 8.190 nan 0.000 0.424 264 N N 3.063 121.836 118.700 0.122 0.000 2.801 264 N HA 0.143 4.883 4.740 -0.000 0.000 0.235 264 N C 0.983 176.573 175.510 0.133 0.000 1.069 264 N CA -0.117 53.044 53.050 0.185 0.000 0.946 264 N CB 1.273 39.836 38.487 0.127 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 1.177 177.687 176.600 -0.150 0.000 1.069 265 E CA 2.467 59.017 56.400 0.251 0.000 0.950 265 E CB -0.445 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 0.611 174.806 174.900 -1.174 0.000 1.060 266 G CA 0.213 44.457 45.100 -1.428 0.000 0.793 266 G HN 0.802 nan 8.290 nan 0.000 0.532 267 G N 0.801 109.196 108.800 -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 -1.765 118.095 119.950 -0.151 0.000 2.963 268 F HA 0.730 5.257 4.527 -0.000 0.000 0.321 268 F C 0.019 175.300 175.800 -0.864 0.000 1.234 268 F CA -1.451 56.287 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 0.761 120.817 119.950 0.176 0.000 2.615 269 F HA 0.404 4.931 4.527 -0.000 0.000 0.312 269 F C -0.773 175.045 175.800 0.031 0.000 1.119 269 F CA -1.220 56.820 58.000 0.068 0.000 0.979 269 F CB 1.914 40.941 39.000 0.046 0.000 1.266 269 F HN -0.047 nan 8.300 nan 0.000 0.444 270 N N 2.343 121.168 118.700 0.209 0.000 2.229 270 N HA 0.702 5.442 4.740 -0.000 0.000 0.298 270 N C -1.923 173.626 175.510 0.066 0.000 1.114 270 N CA -0.538 52.577 53.050 0.109 0.000 0.776 270 N CB 2.363 40.887 38.487 0.061 0.000 1.501 270 N HN 0.726 nan 8.380 nan 0.000 0.474 271 I N 1.268 121.858 120.570 0.034 0.000 2.571 271 I HA 0.465 4.635 4.170 -0.000 0.000 0.289 271 I C -0.948 175.172 176.117 0.004 0.000 1.115 271 I CA -0.203 61.085 61.300 -0.020 0.000 1.045 271 I CB 1.787 39.747 38.000 -0.067 0.000 1.238 271 I HN 0.460 nan 8.210 nan 0.000 0.424 272 T N 3.992 118.535 114.554 -0.017 0.000 2.919 272 T HA 0.600 4.950 4.350 -0.000 0.000 0.282 272 T C -0.471 174.249 174.700 0.033 0.000 1.020 272 T CA -0.514 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 1.153 115.754 114.554 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 0.706 121.134 120.400 0.047 0.000 2.936 274 D HA 0.379 5.019 4.640 -0.000 0.000 0.238 274 D C -2.764 173.567 176.300 0.053 0.000 1.248 274 D CA -2.278 51.746 54.000 0.039 0.000 0.903 274 D CB 2.058 42.873 40.800 0.024 0.000 1.544 274 D HN 0.035 nan 8.370 nan 0.000 0.543 275 P HA 0.086 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 -1.837 118.440 120.200 0.128 0.000 2.357 276 E HA 0.148 4.498 4.350 -0.000 0.000 0.190 276 E C 0.584 177.296 176.600 0.187 0.000 1.022 276 E CA -0.096 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 0.704 116.476 115.700 0.120 0.000 2.901 277 S HA 0.139 4.609 4.470 -0.000 0.000 0.248 277 S C -0.623 173.935 174.600 -0.069 0.000 1.021 277 S CA 0.064 58.332 58.200 0.114 0.000 1.090 277 S CB -1.004 62.252 63.200 0.093 0.000 1.039 277 S HN 0.510 nan 8.310 nan 0.000 0.514 278 N N 1.346 120.002 118.700 -0.073 0.000 2.745 278 N HA -0.247 4.493 4.740 -0.000 0.000 0.271 278 N C -0.123 175.358 175.510 -0.048 0.000 0.960 278 N CA 0.418 53.401 53.050 -0.111 0.000 0.833 278 N CB -0.919 37.393 38.487 -0.292 0.000 0.919 278 N HN 0.586 nan 8.380 nan 0.000 0.566 279 Q N -0.033 119.765 119.800 -0.005 0.000 2.443 279 Q HA 0.236 4.576 4.340 -0.000 0.000 0.232 279 Q C 0.784 176.769 176.000 -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 0.539 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 -0.572 0.000 0.953 280 G HN 0.546 nan 8.290 nan 0.000 0.420 281 I N 3.916 124.329 120.570 -0.262 0.000 2.330 281 I HA 0.407 4.577 4.170 -0.000 0.000 0.286 281 I C -0.327 175.672 176.117 -0.196 0.000 1.025 281 I CA -0.832 60.352 61.300 -0.194 0.000 1.197 281 I CB 0.690 38.622 38.000 -0.114 0.000 1.358 281 I HN 0.250 nan 8.210 nan 0.000 0.467 282 L N 7.978 129.065 121.223 -0.226 0.000 2.343 282 L HA 0.651 4.991 4.340 -0.000 0.000 0.275 282 L C -0.191 176.591 176.870 -0.147 0.000 1.056 282 L CA -0.061 54.666 54.840 -0.188 0.000 0.804 282 L CB 1.633 43.542 42.059 -0.251 0.000 1.203 282 L HN 0.709 nan 8.230 nan 0.000 0.440 283 T N -1.399 113.126 114.554 -0.048 0.000 2.754 283 T HA 0.443 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 1.534 70.373 68.868 -0.049 0.000 1.368 283 T HN 0.551 nan 8.240 nan 0.000 0.509 284 T N -0.066 114.533 114.554 0.075 0.000 2.771 284 T HA 0.654 5.004 4.350 -0.000 0.000 0.291 284 T C 1.394 176.061 174.700 -0.055 0.000 0.954 284 T CA -0.361 61.730 62.100 -0.015 0.000 1.045 284 T CB 1.282 70.141 68.868 -0.015 0.000 0.917 284 T HN 0.934 nan 8.240 nan 0.000 0.484 285 A N 3.335 126.073 122.820 -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 -0.045 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 -0.917 119.450 120.400 -0.056 0.000 3.029 286 K HA 0.488 4.808 4.320 -0.000 0.000 0.169 286 K C 0.358 176.939 176.600 -0.030 0.000 1.090 286 K CA -0.197 56.081 56.287 -0.015 0.000 0.883 286 K CB 0.028 32.544 32.500 0.027 0.000 1.080 286 K HN 0.812 nan 8.250 nan 0.000 0.613 287 G N 1.502 110.260 108.800 -0.070 0.000 2.909 287 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.385 287 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.385 287 G C -0.366 174.442 174.900 -0.153 0.000 1.436 287 G CA 0.107 45.150 45.100 -0.095 0.000 0.949 287 G HN 0.385 nan 8.290 nan 0.000 0.556 288 L N -1.979 119.123 121.223 -0.203 0.000 2.563 288 L HA 0.890 5.230 4.340 -0.000 0.000 0.255 288 L C 0.584 177.351 176.870 -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 43.120 42.059 -0.651 0.000 1.929 288 L HN 0.697 nan 8.230 nan 0.000 0.563 289 D N -1.370 118.855 120.400 -0.291 0.000 3.244 289 D HA 0.194 4.834 4.640 -0.000 0.000 0.292 289 D C -1.086 175.326 176.300 0.187 0.000 1.652 289 D CA -0.135 53.921 54.000 0.093 0.000 0.803 289 D CB 0.262 41.282 40.800 0.366 0.000 1.390 289 D HN 0.335 nan 8.370 nan 0.000 0.528 290 F N -1.911 118.042 119.950 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 39.862 39.000 0.032 0.000 1.337 290 F HN -0.283 nan 8.300 nan 0.000 0.464 291 E N 0.112 120.552 120.200 0.401 0.000 2.630 291 E HA 0.397 4.747 4.350 -0.000 0.000 0.218 291 E C 0.917 177.622 176.600 0.175 0.000 0.977 291 E CA 0.114 56.645 56.400 0.218 0.000 1.038 291 E CB 0.618 30.401 29.700 0.138 0.000 1.051 291 E HN 0.645 nan 8.360 nan 0.000 0.487 292 L N -0.090 121.244 121.223 0.185 0.000 2.286 292 L HA 0.297 4.637 4.340 -0.000 0.000 0.203 292 L C 0.487 177.192 176.870 -0.275 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 -0.566 119.910 120.500 -0.040 0.000 2.668 293 R HA 0.281 4.621 4.340 -0.000 0.000 0.272 293 R C -0.300 176.275 176.300 0.459 0.000 1.019 293 R CA -0.431 55.762 56.100 0.156 0.000 0.894 293 R CB 2.256 32.524 30.300 -0.053 0.000 1.228 293 R HN -0.180 nan 8.270 nan 0.000 0.460 294 K N 0.360 120.855 120.400 0.158 0.000 2.436 294 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 294 K C -0.132 176.514 176.600 0.076 0.000 1.174 294 K CA 0.416 56.785 56.287 0.137 0.000 0.951 294 K CB 0.970 33.519 32.500 0.081 0.000 1.040 294 K HN 0.422 nan 8.250 nan 0.000 0.536 295 Q N 0.124 119.873 119.800 -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 -0.623 55.099 55.803 -0.135 0.000 0.896 295 Q CB 1.642 30.323 28.738 -0.095 0.000 1.272 295 Q HN 0.118 nan 8.270 nan 0.000 0.442 296 Y N 0.482 120.810 120.300 0.048 0.000 2.317 296 Y HA 0.258 4.808 4.550 -0.000 0.000 0.329 296 Y C -0.826 175.063 175.900 -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 40.027 38.460 0.021 0.000 1.123 296 Y HN 0.288 nan 8.280 nan 0.000 0.457 297 V N 6.445 126.413 119.914 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 3.213 124.435 121.223 -0.002 0.000 2.350 298 L HA 0.812 5.152 4.340 -0.000 0.000 0.260 298 L C -0.910 175.926 176.870 -0.057 0.000 1.015 298 L CA -0.942 53.885 54.840 -0.022 0.000 0.821 298 L CB 2.332 44.353 42.059 -0.063 0.000 1.370 298 L HN 0.371 nan 8.230 nan 0.000 0.416 299 Q N 1.408 121.183 119.800 -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 -0.706 55.064 55.803 -0.055 0.000 0.808 299 Q CB 3.311 32.031 28.738 -0.031 0.000 1.327 299 Q HN 0.484 nan 8.270 nan 0.000 0.441 300 I N 1.420 121.966 120.570 -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 2.075 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 -0.829 61.424 62.100 0.255 0.000 1.041 301 T CB 1.942 70.898 68.868 0.145 0.000 1.042 301 T HN 0.397 nan 8.240 nan 0.000 0.505 302 V N 1.536 121.548 119.914 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 -0.569 61.618 62.300 -0.187 0.000 0.877 302 V CB 1.547 33.105 31.823 -0.441 0.000 0.996 302 V HN 1.116 nan 8.190 nan 0.000 0.425 303 E N 4.406 124.498 120.200 -0.180 0.000 2.447 303 E HA 0.530 4.880 4.350 -0.000 0.000 0.251 303 E C -0.998 175.522 176.600 -0.133 0.000 0.910 303 E CA -1.062 55.311 56.400 -0.044 0.000 0.841 303 E CB 1.860 31.519 29.700 -0.069 0.000 1.403 303 E HN 0.762 nan 8.360 nan 0.000 0.400 304 N N -1.201 117.431 118.700 -0.114 0.000 2.525 304 N HA 0.375 5.115 4.740 -0.000 0.000 0.288 304 N C 0.301 175.712 175.510 -0.164 0.000 1.242 304 N CA -0.215 52.762 53.050 -0.121 0.000 0.905 304 N CB 1.443 39.902 38.487 -0.046 0.000 1.258 304 N HN 0.480 nan 8.380 nan 0.000 0.551 305 A N 0.232 122.983 122.820 -0.114 0.000 1.897 305 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 305 A C 0.505 178.014 177.584 -0.126 0.000 1.181 305 A CA 1.198 53.175 52.037 -0.099 0.000 0.620 305 A CB -0.519 18.451 19.000 -0.050 0.000 0.821 305 A HN 0.808 nan 8.150 nan 0.000 0.443 306 E N 0.610 120.733 120.200 -0.128 0.000 2.231 306 E HA 0.499 4.849 4.350 -0.000 0.000 0.277 306 E C -2.747 173.689 176.600 -0.273 0.000 0.999 306 E CA -2.380 53.935 56.400 -0.142 0.000 0.827 306 E CB 0.485 30.142 29.700 -0.073 0.000 1.101 306 E HN 0.071 nan 8.360 nan 0.000 0.393 307 P HA -0.062 nan 4.420 nan 0.000 0.272 307 P C -1.053 176.010 177.300 -0.394 0.000 1.243 307 P CA 0.147 63.000 63.100 -0.412 0.000 0.803 307 P CB 0.234 31.820 31.700 -0.191 0.000 0.974 308 F N -1.355 118.592 119.950 -0.005 0.000 2.422 308 F HA 0.234 4.761 4.527 -0.000 0.000 0.333 308 F C 1.369 177.171 175.800 0.003 0.000 1.095 308 F CA -0.315 57.684 58.000 -0.001 0.000 1.038 308 F CB 0.366 39.364 39.000 -0.004 0.000 1.156 308 F HN 0.099 nan 8.300 nan 0.000 0.483 309 S N 0.556 116.391 115.700 0.224 0.000 2.786 309 S HA 0.339 4.809 4.470 -0.000 0.000 0.223 309 S C 0.024 174.687 174.600 0.105 0.000 0.956 309 S CA -0.073 58.201 58.200 0.124 0.000 0.961 309 S CB -0.483 62.776 63.200 0.098 0.000 0.784 309 S HN 0.393 nan 8.310 nan 0.000 0.519 310 V N 0.835 120.827 119.914 0.131 0.000 3.155 310 V HA 0.243 4.363 4.120 -0.000 0.000 0.272 310 V C -2.880 173.245 176.094 0.052 0.000 1.639 310 V CA -1.888 60.452 62.300 0.066 0.000 1.006 310 V CB 2.110 33.948 31.823 0.026 0.000 1.244 310 V HN -0.030 nan 8.190 nan 0.000 0.458 311 P HA 0.573 nan 4.420 nan 0.000 0.271 311 P C -1.145 176.110 177.300 -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 3.141 124.278 121.223 -0.143 0.000 2.491 312 L HA 0.562 4.902 4.340 -0.000 0.000 0.254 312 L C -2.282 174.477 176.870 -0.185 0.000 1.048 312 L CA -1.842 52.855 54.840 -0.239 0.000 0.855 312 L CB 2.308 44.054 42.059 -0.522 0.000 1.466 312 L HN 0.302 nan 8.230 nan 0.000 0.409 313 P HA 0.253 nan 4.420 nan 0.000 0.293 313 P C -1.097 176.153 177.300 -0.083 0.000 1.300 313 P CA -0.332 62.716 63.100 -0.086 0.000 0.792 313 P CB 1.119 32.786 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 0.359 175.100 174.700 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 2.788 118.559 115.700 0.117 0.000 2.530 315 S HA 0.462 4.932 4.470 -0.000 0.000 0.322 315 S C 0.406 175.248 174.600 0.404 0.000 1.085 315 S CA -0.857 57.466 58.200 0.206 0.000 1.096 315 S CB 0.737 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 2.534 117.205 114.554 0.195 0.000 2.882 316 T HA 0.671 5.021 4.350 -0.000 0.000 0.287 316 T C -0.016 174.477 174.700 -0.346 0.000 1.014 316 T CA -0.770 61.346 62.100 0.026 0.000 1.049 316 T CB 1.150 70.016 68.868 -0.003 0.000 1.001 316 T HN 0.627 nan 8.240 nan 0.000 0.525 317 A N 1.720 124.189 122.820 -0.584 0.000 2.330 317 A HA 0.640 4.960 4.320 -0.000 0.000 0.313 317 A C 0.122 177.523 177.584 -0.304 0.000 1.124 317 A CA -0.926 50.686 52.037 -0.710 0.000 0.774 317 A CB 0.757 18.998 19.000 -1.265 0.000 1.198 317 A HN 0.774 nan 8.150 nan 0.000 0.465 318 T N 1.336 115.784 114.554 -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 -0.059 0.000 0.957 318 T CA -0.463 61.579 62.100 -0.096 0.000 1.002 318 T CB 1.108 69.941 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 -0.043 176.031 176.094 -0.034 0.000 1.073 319 V CA -0.753 61.517 62.300 -0.050 0.000 0.921 319 V CB 2.588 34.336 31.823 -0.125 0.000 1.009 319 V HN 0.995 nan 8.190 nan 0.000 0.426 320 T N 3.943 118.497 114.554 -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 1.317 70.201 68.868 0.027 0.000 0.930 320 T HN 0.393 nan 8.240 nan 0.000 0.443 321 V N 3.210 123.176 119.914 0.086 0.000 2.715 321 V HA 0.703 4.823 4.120 -0.000 0.000 0.310 321 V C 0.119 176.312 176.094 0.165 0.000 1.054 321 V CA -0.812 61.552 62.300 0.107 0.000 0.928 321 V CB 2.175 34.048 31.823 0.084 0.000 1.007 321 V HN 0.895 nan 8.190 nan 0.000 0.437 322 T N 2.390 117.014 114.554 0.117 0.000 2.879 322 T HA 0.472 4.822 4.350 -0.000 0.000 0.290 322 T C -0.573 174.172 174.700 0.075 0.000 0.993 322 T CA -0.398 61.765 62.100 0.104 0.000 0.975 322 T CB 1.656 70.562 68.868 0.064 0.000 0.981 322 T HN 0.400 nan 8.240 nan 0.000 0.439 323 V N 4.017 123.971 119.914 0.067 0.000 2.368 323 V HA 0.250 4.370 4.120 -0.000 0.000 0.266 323 V C 0.690 176.768 176.094 -0.027 0.000 1.045 323 V CA -0.706 61.582 62.300 -0.020 0.000 0.899 323 V CB 0.379 32.127 31.823 -0.125 0.000 1.006 323 V HN 0.828 nan 8.190 nan 0.000 0.470 324 E N 2.687 122.864 120.200 -0.037 0.000 2.392 324 E HA 0.194 4.544 4.350 -0.000 0.000 0.259 324 E C -0.669 175.899 176.600 -0.052 0.000 1.108 324 E CA -0.326 56.053 56.400 -0.034 0.000 0.916 324 E CB 0.739 30.415 29.700 -0.039 0.000 0.989 324 E HN 0.684 nan 8.360 nan 0.000 0.432 325 D N 0.780 121.159 120.400 -0.036 0.000 2.185 325 D HA 0.333 4.973 4.640 -0.000 0.000 0.247 325 D C -1.674 174.601 176.300 -0.041 0.000 1.027 325 D CA -0.545 53.434 54.000 -0.034 0.000 0.861 325 D CB 1.645 42.439 40.800 -0.010 0.000 1.202 325 D HN 0.112 nan 8.370 nan 0.000 0.453 326 V N 3.645 123.532 119.914 -0.045 0.000 2.769 326 V HA 0.529 4.649 4.120 -0.000 0.000 0.312 326 V C -1.178 174.899 176.094 -0.029 0.000 1.061 326 V CA -0.797 61.476 62.300 -0.046 0.000 0.931 326 V CB 1.980 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 3.943 122.627 118.700 -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 1.715 40.190 38.487 -0.019 0.000 1.149 327 N HN 0.793 nan 8.380 nan 0.000 0.492 328 E N 0.889 121.086 120.200 -0.004 0.000 2.250 328 E HA 0.639 4.989 4.350 -0.000 0.000 0.265 328 E C -0.158 176.442 176.600 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 2.007 124.823 122.820 -0.006 0.000 2.507 329 A HA 0.311 4.631 4.320 -0.000 0.000 0.235 329 A C -2.133 175.464 177.584 0.022 0.000 1.070 329 A CA -0.726 51.299 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 -0.904 176.360 177.300 -0.061 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 -0.216 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 1.566 121.623 119.950 0.179 0.000 2.490 332 F HA 0.388 4.915 4.527 -0.000 0.000 0.336 332 F C 1.537 177.483 175.800 0.244 0.000 1.178 332 F CA -0.554 57.529 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 -0.739 119.403 119.914 0.380 0.000 2.251 333 V HA -0.033 4.087 4.120 -0.000 0.000 0.230 333 V C -1.321 174.953 176.094 0.301 0.000 1.032 333 V CA 0.459 62.974 62.300 0.358 0.000 0.997 333 V CB -2.178 29.782 31.823 0.228 0.000 0.643 333 V HN 0.596 nan 8.190 nan 0.000 0.462 334 P HA 0.558 nan 4.420 nan 0.000 0.323 334 P C -1.058 176.343 177.300 0.168 0.000 1.309 334 P CA -0.125 63.068 63.100 0.156 0.000 0.739 334 P CB 0.308 32.068 31.700 0.100 0.000 1.454 335 A N -0.174 122.712 122.820 0.109 0.000 2.702 335 A HA 0.491 4.811 4.320 -0.000 0.000 0.305 335 A C -0.800 176.813 177.584 0.049 0.000 1.213 335 A CA -0.571 51.519 52.037 0.089 0.000 0.745 335 A CB 0.005 19.055 19.000 0.084 0.000 1.161 335 A HN 0.211 nan 8.150 nan 0.000 0.445 336 V N 1.338 121.268 119.914 0.027 0.000 2.439 336 V HA 0.305 4.425 4.120 -0.000 0.000 0.271 336 V C 0.937 177.041 176.094 0.016 0.000 1.040 336 V CA -0.000 62.309 62.300 0.016 0.000 1.002 336 V CB 0.957 32.778 31.823 -0.003 0.000 1.000 336 V HN 0.731 nan 8.190 nan 0.000 0.477 337 S N 4.549 120.265 115.700 0.028 0.000 3.158 337 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 337 S C 0.822 175.451 174.600 0.047 0.000 1.359 337 S CA -0.494 57.729 58.200 0.038 0.000 0.974 337 S CB -0.177 63.045 63.200 0.037 0.000 1.336 337 S HN 0.838 nan 8.310 nan 0.000 0.488 338 R N 1.936 122.464 120.500 0.046 0.000 2.009 338 R HA 0.261 4.601 4.340 -0.000 0.000 0.206 338 R C 0.029 176.359 176.300 0.051 0.000 1.356 338 R CA 0.649 56.774 56.100 0.041 0.000 1.088 338 R CB -0.145 30.169 30.300 0.022 0.000 0.959 338 R HN 0.477 nan 8.270 nan 0.000 0.469 339 V N 2.530 122.477 119.914 0.055 0.000 2.341 339 V HA 0.167 4.287 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 -0.378 61.953 62.300 0.052 0.000 1.069 339 V CB 0.322 32.170 31.823 0.042 0.000 1.177 339 V HN 0.174 nan 8.190 nan 0.000 0.492 340 D N 3.706 124.129 120.400 0.038 0.000 2.416 340 D HA 0.305 4.944 4.640 -0.000 0.000 0.240 340 D C -0.152 176.117 176.300 -0.053 0.000 1.250 340 D CA 0.513 54.493 54.000 -0.034 0.000 0.967 340 D CB 1.284 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 0.040 176.118 176.094 -0.027 0.000 1.045 341 V CA -0.680 61.608 62.300 -0.019 0.000 0.905 341 V CB 2.015 33.837 31.823 -0.002 0.000 0.997 341 V HN 0.523 nan 8.190 nan 0.000 0.436 342 S N 3.348 119.021 115.700 -0.045 0.000 2.632 342 S HA 0.290 4.760 4.470 -0.000 0.000 0.267 342 S C 0.951 175.510 174.600 -0.068 0.000 1.276 342 S CA 0.388 58.559 58.200 -0.049 0.000 0.998 342 S CB 1.197 64.366 63.200 -0.051 0.000 0.953 342 S HN 0.935 nan 8.310 nan 0.000 0.547 343 E N 0.207 120.363 120.200 -0.073 0.000 2.204 343 E HA -0.217 4.133 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 1.268 57.602 56.400 -0.111 0.000 0.821 343 E CB -0.225 29.421 29.700 -0.090 0.000 0.750 343 E HN 0.871 nan 8.360 nan 0.000 0.477 344 D N -0.080 120.269 120.400 -0.085 0.000 2.371 344 D HA -0.029 4.611 4.640 -0.000 0.000 0.234 344 D C 0.300 176.552 176.300 -0.080 0.000 1.049 344 D CA -0.021 53.933 54.000 -0.077 0.000 0.907 344 D CB -0.050 40.716 40.800 -0.057 0.000 0.891 344 D HN 0.120 nan 8.370 nan 0.000 0.531 345 L N 1.241 122.408 121.223 -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 -0.215 54.575 54.840 -0.084 0.000 0.878 345 L CB 0.486 42.493 42.059 -0.086 0.000 1.127 345 L HN 0.163 nan 8.230 nan 0.000 0.492 346 S N 4.560 120.222 115.700 -0.063 0.000 2.430 346 S HA 0.131 4.601 4.470 -0.000 0.000 0.282 346 S C 0.298 174.866 174.600 -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 2.878 123.344 120.500 -0.057 0.000 3.501 347 R HA 0.177 4.517 4.340 -0.000 0.000 0.332 347 R C 0.930 177.213 176.300 -0.029 0.000 0.776 347 R CA 1.115 57.187 56.100 -0.046 0.000 1.007 347 R CB -1.332 28.942 30.300 -0.043 0.000 0.929 347 R HN 1.183 nan 8.270 nan 0.000 0.372 348 G N 2.845 111.630 108.800 -0.025 0.000 2.441 348 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.139 348 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.139 348 G C -0.924 173.964 174.900 -0.021 0.000 1.067 348 G CA -0.704 44.386 45.100 -0.018 0.000 0.766 348 G HN 0.511 nan 8.290 nan 0.000 0.484 349 E N 0.364 120.551 120.200 -0.023 0.000 2.293 349 E HA 0.311 4.661 4.350 -0.000 0.000 0.270 349 E C 0.065 176.652 176.600 -0.022 0.000 0.879 349 E CA -0.839 55.546 56.400 -0.024 0.000 0.756 349 E CB 1.486 31.168 29.700 -0.030 0.000 1.208 349 E HN 0.344 nan 8.360 nan 0.000 0.428 350 K N 2.899 123.285 120.400 -0.023 0.000 2.402 350 K HA 0.064 4.384 4.320 -0.000 0.000 0.279 350 K C 0.843 177.431 176.600 -0.020 0.000 1.082 350 K CA 0.398 56.670 56.287 -0.024 0.000 1.080 350 K CB 0.511 32.996 32.500 -0.025 0.000 0.899 350 K HN 0.409 nan 8.250 nan 0.000 0.469 351 I N 2.978 123.538 120.570 -0.017 0.000 3.098 351 I HA 0.043 4.213 4.170 -0.000 0.000 0.241 351 I C 0.840 176.949 176.117 -0.013 0.000 1.081 351 I CA 0.274 61.569 61.300 -0.008 0.000 1.487 351 I CB 0.365 38.370 38.000 0.009 0.000 1.366 351 I HN 0.509 nan 8.210 nan 0.000 0.463 352 I N -0.351 120.205 120.570 -0.023 0.000 2.493 352 I HA 0.345 4.515 4.170 -0.000 0.000 0.279 352 I C -0.638 175.444 176.117 -0.058 0.000 1.045 352 I CA -0.674 60.605 61.300 -0.035 0.000 1.106 352 I CB 1.432 39.411 38.000 -0.036 0.000 1.216 352 I HN -0.051 nan 8.210 nan 0.000 0.459 353 S N 7.294 122.962 115.700 -0.054 0.000 2.405 353 S HA 0.610 5.080 4.470 -0.000 0.000 0.291 353 S C -0.131 174.424 174.600 -0.074 0.000 1.137 353 S CA -0.720 57.437 58.200 -0.072 0.000 1.061 353 S CB 0.412 63.580 63.200 -0.053 0.000 1.001 353 S HN 0.574 nan 8.310 nan 0.000 0.507 354 L N 1.343 122.499 121.223 -0.112 0.000 2.286 354 L HA 0.987 5.327 4.340 -0.000 0.000 0.265 354 L C -0.316 176.501 176.870 -0.089 0.000 1.012 354 L CA -1.400 53.388 54.840 -0.087 0.000 0.818 354 L CB 0.546 42.542 42.059 -0.105 0.000 1.337 354 L HN 0.472 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 -0.407 175.815 176.094 0.212 0.000 1.148 355 V CA -0.366 61.994 62.300 0.100 0.000 0.990 355 V CB 1.021 32.881 31.823 0.063 0.000 1.039 355 V HN 1.418 nan 8.190 nan 0.000 0.430 356 A N 1.985 124.963 122.820 0.263 0.000 2.423 356 A HA 0.924 5.244 4.320 -0.000 0.000 0.304 356 A C -0.879 176.607 177.584 -0.163 0.000 1.104 356 A CA -0.798 51.308 52.037 0.115 0.000 0.757 356 A CB 2.176 21.298 19.000 0.204 0.000 1.313 356 A HN 0.866 nan 8.150 nan 0.000 0.423 357 Q N 0.579 120.017 119.800 -0.603 0.000 2.387 357 Q HA 0.399 4.739 4.340 -0.000 0.000 0.273 357 Q C -1.742 173.709 176.000 -0.914 0.000 1.089 357 Q CA -0.566 54.806 55.803 -0.718 0.000 0.824 357 Q CB 2.772 31.093 28.738 -0.696 0.000 1.367 357 Q HN 0.834 nan 8.270 nan 0.000 0.443 358 D N 1.986 122.145 120.400 -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 2.229 42.954 40.800 -0.125 0.000 1.399 358 D HN 0.193 nan 8.370 nan 0.000 0.503 359 P HA -0.170 nan 4.420 nan 0.000 0.205 359 P C -0.501 176.842 177.300 0.071 0.000 1.164 359 P CA 0.935 64.115 63.100 0.133 0.000 0.938 359 P CB -0.364 31.422 31.700 0.143 0.000 0.777 360 D N 1.585 122.015 120.400 0.049 0.000 2.899 360 D HA -0.057 4.583 4.640 -0.000 0.000 0.254 360 D C 0.670 176.985 176.300 0.027 0.000 1.320 360 D CA 0.543 54.564 54.000 0.035 0.000 0.929 360 D CB -0.494 40.317 40.800 0.018 0.000 1.148 360 D HN 0.180 nan 8.370 nan 0.000 0.571 361 K N 3.024 123.444 120.400 0.034 0.000 2.110 361 K HA -0.032 4.288 4.320 -0.000 0.000 0.260 361 K C 0.151 176.764 176.600 0.021 0.000 1.126 361 K CA 0.124 56.427 56.287 0.026 0.000 1.005 361 K CB 0.234 32.752 32.500 0.030 0.000 1.336 361 K HN 0.606 nan 8.250 nan 0.000 0.369 362 Q N 2.680 122.489 119.800 0.014 0.000 1.752 362 Q HA -0.033 4.307 4.340 -0.000 0.000 0.169 362 Q C -0.567 175.435 176.000 0.004 0.000 0.747 362 Q CA -0.180 55.629 55.803 0.009 0.000 0.814 362 Q CB 0.471 29.214 28.738 0.008 0.000 1.218 362 Q HN 0.569 nan 8.270 nan 0.000 0.384 363 Q N 1.730 121.532 119.800 0.004 0.000 2.851 363 Q HA -0.066 4.274 4.340 -0.000 0.000 0.319 363 Q C -0.297 175.701 176.000 -0.002 0.000 1.225 363 Q CA 1.046 56.848 55.803 -0.003 0.000 1.110 363 Q CB -0.566 28.171 28.738 -0.002 0.000 1.128 363 Q HN 0.466 nan 8.270 nan 0.000 0.440 364 I N 0.869 121.436 120.570 -0.005 0.000 2.816 364 I HA 0.184 4.354 4.170 -0.000 0.000 0.279 364 I C -1.646 174.466 176.117 -0.008 0.000 1.662 364 I CA -0.336 60.962 61.300 -0.004 0.000 0.785 364 I CB 0.726 38.726 38.000 -0.001 0.000 1.738 364 I HN 0.329 nan 8.210 nan 0.000 0.561 365 Q N 2.059 121.851 119.800 -0.013 0.000 2.418 365 Q HA 0.546 4.886 4.340 -0.000 0.000 0.240 365 Q C -1.424 174.559 176.000 -0.029 0.000 0.859 365 Q CA -0.886 54.905 55.803 -0.021 0.000 0.916 365 Q CB 1.437 30.160 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 33.531 32.500 -0.010 0.000 1.197 366 K HN 0.644 nan 8.250 nan 0.000 0.471 367 L N -1.886 119.276 121.223 -0.101 0.000 2.230 367 L HA 0.708 5.048 4.340 -0.000 0.000 0.255 367 L C -1.011 175.771 176.870 -0.146 0.000 1.039 367 L CA -0.768 53.984 54.840 -0.148 0.000 0.846 367 L CB 1.803 43.708 42.059 -0.258 0.000 1.419 367 L HN 0.577 nan 8.230 nan 0.000 0.435 368 S N -1.524 114.130 115.700 -0.077 0.000 2.532 368 S HA 0.693 5.163 4.470 -0.000 0.000 0.299 368 S C -1.290 173.425 174.600 0.192 0.000 1.105 368 S CA -0.547 57.717 58.200 0.106 0.000 1.018 368 S CB 0.615 64.052 63.200 0.396 0.000 1.021 368 S HN 0.455 nan 8.310 nan 0.000 0.483 369 Y N 2.045 122.491 120.300 0.244 0.000 2.365 369 Y HA 0.582 5.132 4.550 -0.000 0.000 0.340 369 Y C -0.427 175.600 175.900 0.211 0.000 1.016 369 Y CA -0.739 57.529 58.100 0.279 0.000 1.196 369 Y CB 0.282 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 2.889 122.969 119.950 0.216 0.000 2.546 370 F HA 0.526 5.053 4.527 -0.000 0.000 0.320 370 F C -0.215 175.671 175.800 0.144 0.000 1.076 370 F CA -1.308 56.776 58.000 0.140 0.000 0.928 370 F CB 0.983 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 0.352 121.072 120.570 0.250 0.000 3.514 371 I HA 0.703 4.873 4.170 -0.000 0.000 0.300 371 I C 1.077 177.288 176.117 0.156 0.000 1.194 371 I CA -0.304 61.092 61.300 0.160 0.000 0.968 371 I CB 1.240 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 0.508 109.363 108.800 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 0.973 119.671 118.700 -0.003 0.000 2.229 373 N HA 0.233 4.973 4.740 -0.000 0.000 0.242 373 N C -0.046 175.417 175.510 -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 38.859 38.487 -0.069 0.000 1.129 373 N HN 0.402 nan 8.380 nan 0.000 0.490 374 D N -2.131 118.200 120.400 -0.115 0.000 2.738 374 D HA 0.147 4.787 4.640 -0.000 0.000 0.345 374 D C -2.367 173.820 176.300 -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 39.568 40.800 -0.089 0.000 1.543 374 D HN 0.287 nan 8.370 nan 0.000 0.399 375 P HA 0.170 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 0.323 63.207 63.100 -0.361 0.000 0.788 375 P CB 0.496 31.879 31.700 -0.527 0.000 0.865 376 A N 2.319 124.772 122.820 -0.611 0.000 2.587 376 A HA -0.070 4.250 4.320 -0.000 0.000 0.235 376 A C 0.663 177.813 177.584 -0.723 0.000 1.044 376 A CA 0.020 51.759 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 1.742 122.041 120.500 -0.334 0.000 4.237 377 R HA -0.168 4.172 4.340 -0.000 0.000 0.171 377 R C -0.301 176.049 176.300 0.084 0.000 0.417 377 R CA 1.031 57.049 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 57.162 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 0.361 nan 8.180 nan 0.000 0.720 379 L N 1.899 123.308 121.223 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 0.841 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 0.610 115.193 114.554 0.049 0.000 3.012 380 T HA 0.505 4.855 4.350 -0.000 0.000 0.330 380 T C -0.642 174.055 174.700 -0.006 0.000 1.321 380 T CA -0.647 61.464 62.100 0.019 0.000 1.067 380 T CB 1.907 70.783 68.868 0.014 0.000 1.235 380 T HN 0.717 nan 8.240 nan 0.000 0.479 381 V N 1.086 120.989 119.914 -0.017 0.000 2.547 381 V HA 0.723 4.843 4.120 -0.000 0.000 0.299 381 V C 0.070 176.134 176.094 -0.050 0.000 1.040 381 V CA -0.936 61.343 62.300 -0.036 0.000 0.913 381 V CB 1.752 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 3.402 122.065 118.700 -0.062 0.000 2.414 382 N HA 0.276 5.016 4.740 -0.000 0.000 0.256 382 N C 0.544 176.037 175.510 -0.028 0.000 1.029 382 N CA -0.369 52.649 53.050 -0.053 0.000 0.948 382 N CB 1.614 40.064 38.487 -0.060 0.000 1.102 382 N HN 0.818 nan 8.380 nan 0.000 0.496 383 K N 1.746 122.135 120.400 -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 0.954 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 -0.139 120.353 120.400 0.154 0.000 2.358 384 D HA 0.008 4.648 4.640 -0.000 0.000 0.224 384 D C 0.231 176.643 176.300 0.187 0.000 1.123 384 D CA 0.328 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 -0.132 118.628 118.700 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 0.003 53.010 53.050 -0.072 0.000 0.737 385 N CB 0.817 39.274 38.487 -0.049 0.000 1.155 385 N HN 0.013 nan 8.380 nan 0.000 0.529 386 G N 2.458 110.741 108.800 -0.861 0.000 2.247 386 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.265 386 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.265 386 G C -0.434 174.187 174.900 -0.465 0.000 0.861 386 G CA 0.616 45.059 45.100 -1.096 0.000 1.289 386 G HN 0.383 nan 8.290 nan 0.000 0.403 387 I N 0.675 121.089 120.570 -0.260 0.000 2.439 387 I HA 0.297 4.467 4.170 -0.000 0.000 0.285 387 I C 0.148 176.201 176.117 -0.107 0.000 1.021 387 I CA -1.157 60.049 61.300 -0.156 0.000 1.091 387 I CB 2.128 40.062 38.000 -0.110 0.000 1.242 387 I HN -0.031 nan 8.210 nan 0.000 0.439 388 V N 5.086 124.946 119.914 -0.090 0.000 2.348 388 V HA 0.335 4.455 4.120 -0.000 0.000 0.270 388 V C 0.665 176.741 176.094 -0.029 0.000 1.037 388 V CA -0.339 61.930 62.300 -0.053 0.000 0.872 388 V CB 0.977 32.770 31.823 -0.051 0.000 1.002 388 V HN 0.889 nan 8.190 nan 0.000 0.464 389 T N 1.649 116.193 114.554 -0.016 0.000 2.937 389 T HA 0.758 5.108 4.350 -0.000 0.000 0.283 389 T C 0.213 174.921 174.700 0.014 0.000 1.012 389 T CA -0.413 61.682 62.100 -0.008 0.000 0.997 389 T CB 2.004 70.864 68.868 -0.013 0.000 1.136 389 T HN 0.811 nan 8.240 nan 0.000 0.551 390 G N 0.869 109.674 108.800 0.008 0.000 2.744 390 G HA2 0.492 4.452 3.960 -0.000 0.000 0.309 390 G HA3 0.492 4.452 3.960 -0.000 0.000 0.309 390 G C -0.743 174.157 174.900 0.000 0.000 1.328 390 G CA -0.824 44.286 45.100 0.018 0.000 1.034 390 G HN 0.808 nan 8.290 nan 0.000 0.518 391 N N 0.764 119.483 118.700 0.032 0.000 2.482 391 N HA 0.717 5.457 4.740 -0.000 0.000 0.279 391 N C 0.574 176.086 175.510 0.003 0.000 1.182 391 N CA 0.210 53.270 53.050 0.017 0.000 0.969 391 N CB 1.750 40.261 38.487 0.040 0.000 1.201 391 N HN 0.861 nan 8.380 nan 0.000 0.523 392 G N 0.538 109.321 108.800 -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 -0.819 44.233 45.100 -0.080 0.000 0.855 392 G HN 0.738 nan 8.290 nan 0.000 0.537 393 N N -0.779 117.778 118.700 -0.237 0.000 2.419 393 N HA 0.687 5.427 4.740 -0.000 0.000 0.277 393 N C 0.012 175.222 175.510 -0.500 0.000 1.006 393 N CA -0.728 52.161 53.050 -0.268 0.000 0.923 393 N CB 0.718 39.123 38.487 -0.138 0.000 1.140 393 N HN 0.584 nan 8.380 nan 0.000 0.488 394 L N 1.685 122.578 121.223 -0.550 0.000 2.299 394 L HA 0.644 4.984 4.340 -0.000 0.000 0.268 394 L C -0.679 175.972 176.870 -0.365 0.000 1.012 394 L CA -0.583 53.799 54.840 -0.764 0.000 0.816 394 L CB 1.514 43.054 42.059 -0.865 0.000 1.355 394 L HN 0.550 nan 8.230 nan 0.000 0.457 395 D N -1.541 118.694 120.400 -0.275 0.000 2.266 395 D HA 0.184 4.824 4.640 -0.000 0.000 0.218 395 D C 0.411 176.682 176.300 -0.048 0.000 1.311 395 D CA -0.320 53.611 54.000 -0.115 0.000 0.918 395 D CB 0.832 41.597 40.800 -0.057 0.000 1.530 395 D HN 0.452 nan 8.370 nan 0.000 0.514 396 R N 1.466 121.944 120.500 -0.037 0.000 2.133 396 R HA -0.214 4.126 4.340 -0.000 0.000 0.247 396 R C 0.935 177.263 176.300 0.046 0.000 1.151 396 R CA 1.621 57.733 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 -0.678 119.539 120.200 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 -2.500 113.243 115.700 0.073 0.000 2.597 398 S HA 0.087 4.557 4.470 -0.000 0.000 0.275 398 S C 1.278 175.922 174.600 0.073 0.000 1.040 398 S CA 0.258 58.501 58.200 0.072 0.000 1.187 398 S CB 0.112 63.341 63.200 0.047 0.000 0.988 398 S HN 0.216 nan 8.310 nan 0.000 0.490 399 E N -0.828 119.443 120.200 0.118 0.000 2.357 399 E HA 0.213 4.563 4.350 -0.000 0.000 0.202 399 E C 1.077 177.661 176.600 -0.027 0.000 0.855 399 E CA 0.122 56.521 56.400 -0.000 0.000 1.048 399 E CB -0.179 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 1.067 121.437 120.300 0.116 0.000 2.231 400 Y HA 0.116 4.666 4.550 -0.000 0.000 0.294 400 Y C 0.799 176.798 175.900 0.165 0.000 1.120 400 Y CA 0.388 58.574 58.100 0.144 0.000 1.141 400 Y CB 0.099 38.685 38.460 0.211 0.000 1.022 400 Y HN -0.163 nan 8.280 nan 0.000 0.523 401 V N 2.938 123.078 119.914 0.377 0.000 2.583 401 V HA -0.192 3.928 4.120 -0.000 0.000 0.302 401 V C 0.566 176.761 176.094 0.169 0.000 1.033 401 V CA 0.548 63.013 62.300 0.275 0.000 1.194 401 V CB 0.076 32.031 31.823 0.219 0.000 0.879 401 V HN 0.369 nan 8.190 nan 0.000 0.482 402 K N 3.436 123.919 120.400 0.138 0.000 2.786 402 K HA 0.178 4.498 4.320 -0.000 0.000 0.224 402 K C 0.880 177.516 176.600 0.059 0.000 1.089 402 K CA -0.386 55.951 56.287 0.082 0.000 1.162 402 K CB -0.032 32.508 32.500 0.067 0.000 1.585 402 K HN 0.597 nan 8.250 nan 0.000 0.466 403 N N 1.310 120.035 118.700 0.041 0.000 2.328 403 N HA -0.065 4.675 4.740 -0.000 0.000 0.277 403 N C 0.323 175.847 175.510 0.023 0.000 1.286 403 N CA 0.281 53.344 53.050 0.021 0.000 0.949 403 N CB 0.138 38.626 38.487 0.001 0.000 1.136 403 N HN 0.131 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 -0.024 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 -1.828 112.738 114.554 0.020 0.000 2.810 405 T HA 0.220 4.570 4.350 -0.000 0.000 0.277 405 T C -0.970 173.868 174.700 0.230 0.000 0.973 405 T CA -0.322 61.821 62.100 0.071 0.000 0.949 405 T CB 0.814 69.699 68.868 0.028 0.000 1.075 405 T HN 0.141 nan 8.240 nan 0.000 0.537 406 Y N 0.710 121.045 120.300 0.057 0.000 2.237 406 Y HA 0.322 4.872 4.550 -0.000 0.000 0.316 406 Y C -0.866 175.053 175.900 0.031 0.000 1.236 406 Y CA -0.748 57.394 58.100 0.071 0.000 1.257 406 Y CB 0.652 39.208 38.460 0.161 0.000 1.272 406 Y HN 1.009 nan 8.280 nan 0.000 0.394 407 T N 3.116 117.365 114.554 -0.508 0.000 2.823 407 T HA 0.881 5.231 4.350 -0.000 0.000 0.279 407 T C -0.861 173.532 174.700 -0.511 0.000 0.998 407 T CA -0.847 61.041 62.100 -0.353 0.000 0.994 407 T CB 2.134 70.877 68.868 -0.208 0.000 0.960 407 T HN 0.344 nan 8.240 nan 0.000 0.448 408 V N 2.982 122.713 119.914 -0.305 0.000 2.888 408 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 408 V C -0.636 175.386 176.094 -0.121 0.000 1.114 408 V CA -1.018 61.135 62.300 -0.245 0.000 0.940 408 V CB 2.001 33.710 31.823 -0.189 0.000 1.021 408 V HN 0.909 nan 8.190 nan 0.000 0.426 409 I N 4.038 124.560 120.570 -0.080 0.000 2.693 409 I HA 0.689 4.859 4.170 -0.000 0.000 0.303 409 I C -0.270 175.860 176.117 0.022 0.000 1.025 409 I CA -0.559 60.732 61.300 -0.014 0.000 1.086 409 I CB 2.000 40.008 38.000 0.013 0.000 1.268 409 I HN 0.466 nan 8.210 nan 0.000 0.440 410 M N 4.441 124.089 119.600 0.081 0.000 2.704 410 M HA 0.641 5.121 4.480 -0.000 0.000 0.284 410 M C -1.245 175.324 176.300 0.448 0.000 1.275 410 M CA -0.781 54.611 55.300 0.154 0.000 0.811 410 M CB 2.639 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 0.402 121.919 121.223 0.491 0.000 2.257 411 L HA 0.952 5.292 4.340 -0.000 0.000 0.257 411 L C -1.204 175.958 176.870 0.487 0.000 1.033 411 L CA -1.131 53.985 54.840 0.461 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 -0.404 119.566 119.914 0.094 0.000 3.000 412 V HA 0.523 4.643 4.120 -0.000 0.000 0.300 412 V C -1.317 174.676 176.094 -0.167 0.000 1.251 412 V CA -0.080 62.212 62.300 -0.014 0.000 0.972 412 V CB 2.388 34.118 31.823 -0.155 0.000 1.065 412 V HN 0.785 nan 8.190 nan 0.000 0.431 413 T N 3.152 117.605 114.554 -0.168 0.000 2.824 413 T HA 0.438 4.788 4.350 -0.000 0.000 0.282 413 T C -1.096 173.511 174.700 -0.155 0.000 0.993 413 T CA -0.314 61.673 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 4.106 124.424 120.400 -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 0.095 54.031 54.000 -0.106 0.000 0.895 414 D CB 0.367 41.113 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 1.069 177.348 176.300 -0.034 0.000 1.134 415 D CA -0.008 53.966 54.000 -0.043 0.000 1.099 415 D CB 1.488 42.273 40.800 -0.026 0.000 1.287 415 D HN 0.501 nan 8.370 nan 0.000 0.634 416 G N -1.004 107.783 108.800 -0.021 0.000 2.527 416 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 416 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 416 G C 0.870 175.760 174.900 -0.016 0.000 1.177 416 G CA 1.220 46.311 45.100 -0.016 0.000 0.695 416 G HN 1.183 nan 8.290 nan 0.000 0.517 417 V N -4.479 115.422 119.914 -0.021 0.000 3.309 417 V HA 0.728 4.848 4.120 -0.000 0.000 0.268 417 V C 0.936 177.016 176.094 -0.024 0.000 1.631 417 V CA 1.535 63.823 62.300 -0.020 0.000 1.018 417 V CB 0.420 32.233 31.823 -0.017 0.000 0.841 417 V HN 1.222 nan 8.190 nan 0.000 0.418 418 S N -1.161 114.521 115.700 -0.031 0.000 5.830 418 S HA 0.642 5.112 4.470 -0.000 0.000 0.119 418 S C -0.489 174.085 174.600 -0.044 0.000 1.116 418 S CA 0.898 59.077 58.200 -0.035 0.000 1.371 418 S CB 1.262 64.442 63.200 -0.034 0.000 2.079 418 S HN 0.405 nan 8.310 nan 0.000 0.649 419 V N 0.026 119.909 119.914 -0.051 0.000 3.242 419 V HA 0.765 4.885 4.120 -0.000 0.000 0.298 419 V C -0.670 175.381 176.094 -0.073 0.000 1.352 419 V CA 0.156 62.418 62.300 -0.063 0.000 1.052 419 V CB 1.662 33.450 31.823 -0.060 0.000 1.101 419 V HN 1.007 nan 8.190 nan 0.000 0.446 420 G N 0.628 109.373 108.800 -0.091 0.000 2.404 420 G HA2 0.565 4.525 3.960 -0.000 0.000 0.298 420 G HA3 0.565 4.525 3.960 -0.000 0.000 0.298 420 G C -1.331 173.493 174.900 -0.126 0.000 1.577 420 G CA -0.145 44.895 45.100 -0.099 0.000 0.847 420 G HN 0.695 nan 8.290 nan 0.000 0.598 421 T N -0.442 114.041 114.554 -0.118 0.000 2.916 421 T HA 0.767 5.117 4.350 -0.000 0.000 0.305 421 T C -0.103 174.505 174.700 -0.153 0.000 1.119 421 T CA -0.015 62.005 62.100 -0.134 0.000 1.008 421 T CB 2.155 70.961 68.868 -0.104 0.000 1.129 421 T HN 1.529 nan 8.240 nan 0.000 0.480 422 G N 1.696 110.368 108.800 -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 0.647 nan 8.290 nan 0.000 0.558 423 T N 1.074 115.580 114.554 -0.080 0.000 2.727 423 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 423 T C 0.491 175.326 174.700 0.225 0.000 0.942 423 T CA -0.326 61.831 62.100 0.094 0.000 0.997 423 T CB 1.767 70.672 68.868 0.062 0.000 0.917 423 T HN 0.679 nan 8.240 nan 0.000 0.487 424 G N 2.498 111.630 108.800 0.554 0.000 2.609 424 G HA2 0.559 4.519 3.960 -0.000 0.000 0.308 424 G HA3 0.559 4.519 3.960 -0.000 0.000 0.308 424 G C -0.222 174.810 174.900 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 2.211 116.836 114.554 0.119 0.000 2.882 425 T HA 0.571 4.921 4.350 -0.000 0.000 0.287 425 T C -0.242 174.452 174.700 -0.010 0.000 1.014 425 T CA -0.500 61.619 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 3.267 124.464 121.223 -0.043 0.000 2.541 426 L HA 0.555 4.895 4.340 -0.000 0.000 0.266 426 L C -1.291 175.554 176.870 -0.042 0.000 0.966 426 L CA -0.708 54.103 54.840 -0.048 0.000 0.871 426 L CB 1.108 43.121 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 0.454 4.624 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 -0.782 60.517 61.300 -0.002 0.000 1.225 427 I CB 1.474 39.471 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 -0.846 176.141 176.870 0.194 0.000 0.987 428 L CA -0.760 54.167 54.840 0.145 0.000 0.828 428 L CB 1.449 43.609 42.059 0.169 0.000 1.249 428 L HN 0.609 nan 8.230 nan 0.000 0.409 429 H N 4.150 123.265 119.070 0.075 0.000 3.145 429 H HA 0.275 4.831 4.556 -0.000 0.000 0.263 429 H C -0.555 174.812 175.328 0.065 0.000 1.057 429 H CA 0.215 56.304 56.048 0.068 0.000 1.477 429 H CB 0.842 30.630 29.762 0.044 0.000 1.529 429 H HN 0.581 nan 8.280 nan 0.000 0.508 430 V N 6.607 126.748 119.914 0.379 0.000 3.083 430 V HA 0.208 4.328 4.120 -0.000 0.000 0.306 430 V C 0.847 177.087 176.094 0.244 0.000 1.077 430 V CA -0.555 61.881 62.300 0.228 0.000 1.073 430 V CB 1.497 33.413 31.823 0.156 0.000 1.081 430 V HN 0.597 nan 8.190 nan 0.000 0.474 431 L N 0.853 122.128 121.223 0.086 0.000 2.283 431 L HA 0.583 4.923 4.340 -0.000 0.000 0.259 431 L C -0.982 175.902 176.870 0.023 0.000 1.027 431 L CA -0.683 54.180 54.840 0.038 0.000 0.828 431 L CB 2.372 44.407 42.059 -0.041 0.000 1.380 431 L HN 0.622 nan 8.230 nan 0.000 0.425 432 D N 0.131 120.541 120.400 0.017 0.000 2.163 432 D HA 0.578 5.218 4.640 -0.000 0.000 0.248 432 D C -1.219 175.078 176.300 -0.006 0.000 1.035 432 D CA -0.116 53.891 54.000 0.011 0.000 0.872 432 D CB 1.789 42.605 40.800 0.025 0.000 1.183 432 D HN 0.157 nan 8.370 nan 0.000 0.445 433 V N 2.095 122.004 119.914 -0.008 0.000 2.914 433 V HA 0.481 4.601 4.120 -0.000 0.000 0.314 433 V C -0.159 175.931 176.094 -0.007 0.000 1.084 433 V CA -1.246 61.045 62.300 -0.015 0.000 0.963 433 V CB 1.754 33.562 31.823 -0.025 0.000 1.025 433 V HN 0.538 nan 8.190 nan 0.000 0.432 434 N N 1.304 119.999 118.700 -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 0.560 39.045 38.487 -0.005 0.000 1.244 434 N HN 0.765 nan 8.380 nan 0.000 0.512 435 D N 1.228 121.628 120.400 -0.000 0.000 2.119 435 D HA -0.012 4.628 4.640 -0.000 0.000 0.231 435 D C 0.178 176.482 176.300 0.006 0.000 0.999 435 D CA 0.834 54.833 54.000 -0.002 0.000 0.915 435 D CB -0.129 40.669 40.800 -0.003 0.000 1.017 435 D HN 0.538 nan 8.370 nan 0.000 0.437 436 N N -0.206 118.502 118.700 0.013 0.000 2.207 436 N HA 0.373 5.113 4.740 -0.000 0.000 0.223 436 N C 0.184 175.712 175.510 0.030 0.000 1.339 436 N CA 0.373 53.436 53.050 0.021 0.000 0.889 436 N CB 0.213 38.715 38.487 0.025 0.000 1.128 436 N HN 0.305 nan 8.380 nan 0.000 0.456 437 G N -1.941 106.883 108.800 0.041 0.000 2.642 437 G HA2 0.531 4.491 3.960 -0.000 0.000 0.293 437 G HA3 0.531 4.491 3.960 -0.000 0.000 0.293 437 G C -2.928 172.026 174.900 0.090 0.000 1.341 437 G CA -1.369 43.767 45.100 0.061 0.000 0.916 437 G HN 0.421 nan 8.290 nan 0.000 0.474 438 P HA 0.160 nan 4.420 nan 0.000 0.266 438 P C -0.597 176.749 177.300 0.077 0.000 1.180 438 P CA 0.161 63.373 63.100 0.187 0.000 0.765 438 P CB 0.988 32.922 31.700 0.389 0.000 0.806 439 V N 3.473 123.401 119.914 0.025 0.000 2.891 439 V HA 0.287 4.407 4.120 -0.000 0.000 0.304 439 V C -2.537 173.536 176.094 -0.035 0.000 1.171 439 V CA -1.920 60.379 62.300 -0.002 0.000 0.943 439 V CB 2.312 34.138 31.823 0.004 0.000 1.037 439 V HN 0.395 nan 8.190 nan 0.000 0.427 440 P HA 0.201 nan 4.420 nan 0.000 0.271 440 P C 0.692 177.977 177.300 -0.025 0.000 1.216 440 P CA 0.080 63.158 63.100 -0.036 0.000 0.771 440 P CB 0.877 32.565 31.700 -0.020 0.000 0.864 441 S N 4.536 120.220 115.700 -0.026 0.000 2.343 441 S HA 0.025 4.495 4.470 -0.000 0.000 0.212 441 S C -1.290 173.311 174.600 0.001 0.000 1.033 441 S CA 0.661 58.850 58.200 -0.017 0.000 1.004 441 S CB -2.425 60.759 63.200 -0.026 0.000 0.977 441 S HN 0.438 nan 8.310 nan 0.000 0.427 442 P HA 0.468 nan 4.420 nan 0.000 0.284 442 P C -0.466 176.874 177.300 0.067 0.000 1.253 442 P CA -0.491 62.644 63.100 0.057 0.000 0.800 442 P CB 1.044 32.801 31.700 0.095 0.000 0.961 443 R N 0.563 121.057 120.500 -0.009 0.000 2.365 443 R HA 0.288 4.628 4.340 -0.000 0.000 0.223 443 R C -0.315 175.833 176.300 -0.254 0.000 0.899 443 R CA 0.107 56.140 56.100 -0.113 0.000 1.059 443 R CB 0.627 30.862 30.300 -0.107 0.000 1.086 443 R HN 0.280 nan 8.270 nan 0.000 0.522 444 V N 1.244 121.057 119.914 -0.168 0.000 2.668 444 V HA 0.367 4.487 4.120 -0.000 0.000 0.304 444 V C -0.542 175.552 176.094 0.000 0.000 1.071 444 V CA -0.910 61.235 62.300 -0.259 0.000 0.894 444 V CB 1.836 33.565 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 0.637 176.394 175.800 -0.073 0.000 1.089 445 F CA -0.939 57.005 58.000 -0.094 0.000 1.080 445 F CB 1.675 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 1.779 116.457 114.554 0.207 0.000 3.233 446 T HA 0.231 4.581 4.350 -0.000 0.000 0.324 446 T C -0.391 174.367 174.700 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 69.216 68.868 0.060 0.000 0.935 446 T HN 0.307 nan 8.240 nan 0.000 0.544 447 M N 1.138 120.813 119.600 0.125 0.000 2.197 447 M HA 0.453 4.933 4.480 -0.000 0.000 0.305 447 M C 0.389 176.742 176.300 0.089 0.000 1.162 447 M CA -0.283 55.087 55.300 0.116 0.000 1.099 447 M CB 0.999 33.712 32.600 0.188 0.000 1.430 447 M HN 0.542 nan 8.290 nan 0.000 0.481 448 c N 0.253 118.898 118.600 0.075 0.000 2.451 448 c HA 0.286 4.856 4.570 -0.000 0.000 0.391 448 c C 1.450 175.579 174.090 0.065 0.000 1.286 448 c CA -0.322 56.042 56.329 0.059 0.000 1.935 448 c CB 1.552 44.084 42.510 0.038 0.000 2.188 448 c HN 0.907 nan 8.230 nan 0.000 0.523 449 D N -0.500 119.929 120.400 0.049 0.000 2.306 449 D HA -0.043 4.597 4.640 -0.000 0.000 0.239 449 D C 1.855 178.172 176.300 0.028 0.000 1.105 449 D CA 1.228 55.253 54.000 0.043 0.000 0.950 449 D CB -0.225 40.596 40.800 0.035 0.000 1.036 449 D HN 0.523 nan 8.370 nan 0.000 0.428 450 Q N -0.024 119.788 119.800 0.019 0.000 2.047 450 Q HA -0.164 4.176 4.340 -0.000 0.000 0.211 450 Q C 0.223 176.228 176.000 0.009 0.000 1.005 450 Q CA 1.472 57.282 55.803 0.011 0.000 0.866 450 Q CB -0.479 28.265 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 -2.853 172.667 175.510 0.016 0.000 1.403 451 N CA -0.826 52.231 53.050 0.011 0.000 0.747 451 N CB 1.612 40.102 38.487 0.005 0.000 1.326 451 N HN -0.045 nan 8.380 nan 0.000 0.532 452 P HA -0.022 nan 4.420 nan 0.000 0.265 452 P C -0.237 177.075 177.300 0.020 0.000 1.193 452 P CA 0.126 63.246 63.100 0.033 0.000 0.765 452 P CB 0.490 32.229 31.700 0.065 0.000 0.823 453 E N 4.272 124.475 120.200 0.005 0.000 2.318 453 E HA 0.435 4.785 4.350 -0.000 0.000 0.265 453 E C -2.319 174.268 176.600 -0.022 0.000 1.069 453 E CA -2.572 53.823 56.400 -0.007 0.000 0.893 453 E CB -0.477 29.214 29.700 -0.015 0.000 1.076 453 E HN 0.245 nan 8.360 nan 0.000 0.414 454 P HA -0.138 nan 4.420 nan 0.000 0.261 454 P C -1.082 176.149 177.300 -0.114 0.000 1.158 454 P CA 0.457 63.529 63.100 -0.048 0.000 0.758 454 P CB 0.295 31.972 31.700 -0.039 0.000 0.763 455 Q N 3.617 123.300 119.800 -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 55.189 55.803 -0.392 0.000 0.912 455 Q CB 0.057 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 5.319 125.091 119.914 -0.236 0.000 2.655 456 V HA 0.214 4.334 4.120 -0.000 0.000 0.300 456 V C 0.074 176.063 176.094 -0.175 0.000 1.044 456 V CA -0.133 62.068 62.300 -0.165 0.000 1.095 456 V CB 0.409 32.167 31.823 -0.110 0.000 0.952 456 V HN 0.750 nan 8.190 nan 0.000 0.485 457 L N 4.435 125.582 121.223 -0.127 0.000 2.465 457 L HA 0.851 5.191 4.340 -0.000 0.000 0.257 457 L C -0.053 176.767 176.870 -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 0.004 114.512 114.554 -0.077 0.000 2.742 458 T HA 0.810 5.160 4.350 -0.000 0.000 0.282 458 T C -0.888 173.730 174.700 -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 0.325 nan 8.240 nan 0.000 0.538 459 I N 1.462 121.916 120.570 -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 40.191 38.000 -0.582 0.000 1.243 459 I HN 0.996 nan 8.210 nan 0.000 0.425 460 S N 2.541 118.200 115.700 -0.069 0.000 2.548 460 S HA 0.666 5.136 4.470 -0.000 0.000 0.276 460 S C -1.552 173.083 174.600 0.058 0.000 1.129 460 S CA -0.873 57.329 58.200 0.003 0.000 0.931 460 S CB 2.119 65.316 63.200 -0.004 0.000 1.068 460 S HN 0.548 nan 8.310 nan 0.000 0.480 461 D N 1.034 121.488 120.400 0.089 0.000 2.481 461 D HA 0.611 5.251 4.640 -0.000 0.000 0.244 461 D C 0.621 176.958 176.300 0.062 0.000 1.057 461 D CA -0.592 53.465 54.000 0.095 0.000 0.848 461 D CB 2.249 43.128 40.800 0.133 0.000 1.388 461 D HN 0.659 nan 8.370 nan 0.000 0.475 462 A N 2.947 125.796 122.820 0.049 0.000 2.208 462 A HA 0.032 4.352 4.320 -0.000 0.000 0.209 462 A C 0.702 178.309 177.584 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 -0.410 175.915 176.300 0.042 0.000 1.170 463 D CA -0.122 53.901 54.000 0.037 0.000 0.977 463 D CB 1.003 41.821 40.800 0.031 0.000 1.120 463 D HN 0.169 nan 8.370 nan 0.000 0.481 464 I N 0.442 121.035 120.570 0.039 0.000 2.498 464 I HA 0.319 4.489 4.170 -0.000 0.000 0.301 464 I C -2.568 173.574 176.117 0.042 0.000 0.984 464 I CA -2.701 58.625 61.300 0.043 0.000 1.204 464 I CB 1.327 39.354 38.000 0.045 0.000 1.362 464 I HN 0.013 nan 8.210 nan 0.000 0.471 465 P HA 0.134 nan 4.420 nan 0.000 0.267 465 P C -2.156 175.166 177.300 0.037 0.000 1.200 465 P CA -0.336 62.797 63.100 0.055 0.000 0.772 465 P CB -0.011 31.727 31.700 0.065 0.000 0.855 466 P HA -0.048 nan 4.420 nan 0.000 0.220 466 P C 0.628 177.965 177.300 0.060 0.000 1.152 466 P CA 1.156 64.281 63.100 0.043 0.000 0.812 466 P CB -0.383 31.307 31.700 -0.015 0.000 0.792 467 N N -0.827 117.890 118.700 0.029 0.000 2.653 467 N HA -0.183 4.557 4.740 -0.000 0.000 0.207 467 N C 0.665 176.183 175.510 0.012 0.000 1.074 467 N CA 1.535 54.594 53.050 0.016 0.000 0.951 467 N CB -0.368 38.127 38.487 0.014 0.000 0.956 467 N HN 0.342 nan 8.380 nan 0.000 0.457 468 T N -4.859 109.716 114.554 0.034 0.000 3.209 468 T HA 0.051 4.401 4.350 -0.000 0.000 0.295 468 T C 0.105 174.788 174.700 -0.028 0.000 0.977 468 T CA -0.706 61.401 62.100 0.012 0.000 0.922 468 T CB -0.359 68.562 68.868 0.088 0.000 1.152 468 T HN 0.169 nan 8.240 nan 0.000 0.527 469 Y N 3.131 123.364 120.300 -0.113 0.000 2.452 469 Y HA 0.295 4.845 4.550 -0.000 0.000 0.355 469 Y C -2.200 173.548 175.900 -0.252 0.000 1.266 469 Y CA -0.754 57.286 58.100 -0.099 0.000 1.514 469 Y CB -0.119 38.294 38.460 -0.079 0.000 1.363 469 Y HN 0.034 nan 8.280 nan 0.000 0.677 470 P HA -0.173 nan 4.420 nan 0.000 0.270 470 P C -1.358 175.677 177.300 -0.441 0.000 1.181 470 P CA 1.281 64.058 63.100 -0.537 0.000 0.767 470 P CB 0.121 31.422 31.700 -0.665 0.000 0.799 471 Y N 0.762 121.017 120.300 -0.076 0.000 2.518 471 Y HA 0.557 5.107 4.550 -0.000 0.000 0.332 471 Y C 0.933 176.835 175.900 0.004 0.000 1.276 471 Y CA -0.075 58.014 58.100 -0.020 0.000 1.418 471 Y CB 1.114 39.557 38.460 -0.028 0.000 1.527 471 Y HN 0.100 nan 8.280 nan 0.000 0.549 472 K N 0.750 121.276 120.400 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 1.858 121.833 119.914 0.102 0.000 2.649 473 V HA 0.409 4.529 4.120 -0.000 0.000 0.292 473 V C 0.059 176.196 176.094 0.072 0.000 1.055 473 V CA -0.202 62.145 62.300 0.078 0.000 1.023 473 V CB 1.577 33.432 31.823 0.053 0.000 0.992 473 V HN 0.723 nan 8.190 nan 0.000 0.480 474 S N 4.348 120.090 115.700 0.071 0.000 2.546 474 S HA 0.655 5.125 4.470 -0.000 0.000 0.272 474 S C -0.972 173.678 174.600 0.083 0.000 1.140 474 S CA -0.614 57.630 58.200 0.072 0.000 0.920 474 S CB 1.512 64.751 63.200 0.065 0.000 1.083 474 S HN 0.518 nan 8.310 nan 0.000 0.476 475 L N 2.354 123.635 121.223 0.096 0.000 2.318 475 L HA 0.468 4.808 4.340 -0.000 0.000 0.277 475 L C 1.155 178.102 176.870 0.128 0.000 1.008 475 L CA -0.355 54.560 54.840 0.125 0.000 0.846 475 L CB 1.573 43.723 42.059 0.152 0.000 1.220 475 L HN 0.727 nan 8.230 nan 0.000 0.423 476 S N 1.947 117.723 115.700 0.127 0.000 2.459 476 S HA -0.170 4.301 4.470 -0.000 0.000 0.204 476 S C 1.669 176.340 174.600 0.118 0.000 1.102 476 S CA 1.216 59.466 58.200 0.084 0.000 1.258 476 S CB -0.044 63.158 63.200 0.004 0.000 1.033 476 S HN 0.762 nan 8.310 nan 0.000 0.398 477 H N -0.632 118.378 119.070 -0.100 0.000 2.276 477 H HA 0.141 4.697 4.556 -0.000 0.000 0.307 477 H C 1.286 176.663 175.328 0.081 0.000 1.061 477 H CA 0.552 56.563 56.048 -0.060 0.000 1.336 477 H CB -0.538 29.128 29.762 -0.160 0.000 1.396 477 H HN 0.510 nan 8.280 nan 0.000 0.503 478 G N 0.646 109.612 108.800 0.277 0.000 3.008 478 G HA2 0.025 3.985 3.960 -0.000 0.000 0.272 478 G HA3 0.025 3.985 3.960 -0.000 0.000 0.272 478 G C 0.740 175.810 174.900 0.283 0.000 0.764 478 G CA 0.264 45.525 45.100 0.268 0.000 2.029 478 G HN 0.424 nan 8.290 nan 0.000 0.587 479 S N -0.308 115.501 115.700 0.181 0.000 2.593 479 S HA 0.155 4.625 4.470 -0.000 0.000 0.217 479 S C 0.230 174.921 174.600 0.151 0.000 0.966 479 S CA -0.235 58.068 58.200 0.171 0.000 0.914 479 S CB 0.565 63.834 63.200 0.115 0.000 0.776 479 S HN 0.233 nan 8.310 nan 0.000 0.523 480 D N 0.004 120.484 120.400 0.132 0.000 2.491 480 D HA 0.342 4.982 4.640 -0.000 0.000 0.232 480 D C -1.021 175.292 176.300 0.022 0.000 1.334 480 D CA -0.112 53.922 54.000 0.057 0.000 0.909 480 D CB 1.041 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 0.979 122.199 121.223 -0.004 0.000 3.635 481 L HA 0.219 4.559 4.340 -0.000 0.000 0.338 481 L C -0.577 176.080 176.870 -0.356 0.000 1.275 481 L CA 0.351 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 -0.294 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 -1.171 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 1.973 123.318 121.300 0.075 0.000 3.624 483 W HA 0.555 5.215 4.660 -0.000 0.000 0.312 483 W C -0.278 176.279 176.519 0.064 0.000 1.203 483 W CA -1.052 56.345 57.345 0.087 0.000 1.225 483 W CB 1.660 31.191 29.460 0.117 0.000 1.321 483 W HN 0.551 nan 8.180 nan 0.000 0.506 484 K N 2.316 122.916 120.400 0.333 0.000 2.541 484 K HA 0.778 5.098 4.320 -0.000 0.000 0.250 484 K C -0.352 176.341 176.600 0.155 0.000 0.950 484 K CA -0.567 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 -0.611 177.003 177.584 0.051 0.000 1.082 485 A CA 0.220 52.304 52.037 0.078 0.000 0.785 485 A CB 0.422 19.467 19.000 0.074 0.000 1.020 485 A HN 0.760 nan 8.150 nan 0.000 0.489 486 E N 0.523 120.740 120.200 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 1.155 122.375 121.223 -0.004 0.000 2.331 487 L HA 0.416 4.756 4.340 -0.000 0.000 0.275 487 L C 0.597 177.455 176.870 -0.020 0.000 1.022 487 L CA -0.867 53.962 54.840 -0.018 0.000 0.812 487 L CB 1.230 43.287 42.059 -0.004 0.000 1.257 487 L HN 0.440 nan 8.230 nan 0.000 0.435 488 D N 0.526 120.906 120.400 -0.034 0.000 2.362 488 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 488 D C 0.982 177.269 176.300 -0.021 0.000 1.132 488 D CA 0.138 54.120 54.000 -0.030 0.000 0.907 488 D CB 1.669 42.444 40.800 -0.041 0.000 1.195 488 D HN 0.664 nan 8.370 nan 0.000 0.429 489 S N 2.976 118.667 115.700 -0.015 0.000 2.345 489 S HA -0.210 4.260 4.470 -0.000 0.000 0.220 489 S C 1.388 175.980 174.600 -0.012 0.000 1.031 489 S CA 0.840 59.034 58.200 -0.009 0.000 0.996 489 S CB -0.160 63.037 63.200 -0.005 0.000 0.882 489 S HN 0.551 nan 8.310 nan 0.000 0.445 490 K N 1.987 122.378 120.400 -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 0.083 108.864 108.800 -0.031 0.000 5.260 491 G HA2 -0.530 3.430 3.960 -0.000 0.000 0.276 491 G HA3 -0.530 3.430 3.960 -0.000 0.000 0.276 491 G C 1.064 175.927 174.900 -0.063 0.000 1.357 491 G CA 1.002 46.079 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 1.702 176.308 174.700 -0.156 0.000 1.034 492 T CA 2.891 64.918 62.100 -0.122 0.000 1.149 492 T CB -0.672 68.147 68.868 -0.083 0.000 0.860 492 T HN 1.870 nan 8.240 nan 0.000 0.449 493 S N 0.747 116.381 115.700 -0.110 0.000 2.713 493 S HA 0.670 5.140 4.470 -0.000 0.000 0.283 493 S C -0.211 174.328 174.600 -0.101 0.000 1.161 493 S CA -1.013 57.123 58.200 -0.108 0.000 0.999 493 S CB 1.288 64.441 63.200 -0.080 0.000 1.039 493 S HN 0.665 nan 8.310 nan 0.000 0.548 494 M N 0.582 120.126 119.600 -0.093 0.000 2.457 494 M HA 0.577 5.057 4.480 -0.000 0.000 0.300 494 M C -1.882 174.380 176.300 -0.063 0.000 1.141 494 M CA -0.831 54.427 55.300 -0.070 0.000 0.901 494 M CB 1.468 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 1.084 43.131 42.059 -0.021 0.000 1.197 495 L HN 0.628 nan 8.230 nan 0.000 0.427 496 L N 3.406 124.603 121.223 -0.043 0.000 2.265 496 L HA 0.506 4.846 4.340 -0.000 0.000 0.289 496 L C -0.342 176.584 176.870 0.093 0.000 1.033 496 L CA 0.513 55.360 54.840 0.012 0.000 0.814 496 L CB 1.314 43.323 42.059 -0.083 0.000 1.203 496 L HN 0.549 nan 8.230 nan 0.000 0.423 497 S N 5.499 121.327 115.700 0.213 0.000 2.548 497 S HA 0.628 5.098 4.470 -0.000 0.000 0.276 497 S C -2.571 172.205 174.600 0.294 0.000 1.129 497 S CA -0.885 57.456 58.200 0.235 0.000 0.931 497 S CB 2.052 65.315 63.200 0.105 0.000 1.068 497 S HN 0.335 nan 8.310 nan 0.000 0.480 498 P HA 0.277 nan 4.420 nan 0.000 0.300 498 P C 0.643 177.876 177.300 -0.112 0.000 1.294 498 P CA 0.164 63.133 63.100 -0.219 0.000 0.757 498 P CB 0.438 31.896 31.700 -0.404 0.000 1.377 499 T N -3.827 110.616 114.554 -0.185 0.000 3.416 499 T HA 0.092 4.442 4.350 -0.000 0.000 0.298 499 T C -0.465 174.160 174.700 -0.126 0.000 0.874 499 T CA -0.038 61.998 62.100 -0.106 0.000 0.901 499 T CB -0.285 68.547 68.868 -0.059 0.000 1.215 499 T HN 0.142 nan 8.240 nan 0.000 0.677 500 Q N 0.909 120.597 119.800 -0.188 0.000 2.399 500 Q HA 0.378 4.718 4.340 -0.000 0.000 0.276 500 Q C -0.242 175.668 176.000 -0.149 0.000 1.098 500 Q CA -0.577 55.127 55.803 -0.164 0.000 0.827 500 Q CB 1.854 30.471 28.738 -0.203 0.000 1.386 500 Q HN 0.354 nan 8.270 nan 0.000 0.443 501 Q N 1.378 121.115 119.800 -0.106 0.000 2.282 501 Q HA 0.164 4.504 4.340 -0.000 0.000 0.205 501 Q C 0.057 176.014 176.000 -0.072 0.000 0.915 501 Q CA -0.128 55.630 55.803 -0.074 0.000 0.949 501 Q CB 0.109 28.817 28.738 -0.050 0.000 1.035 501 Q HN 0.560 nan 8.270 nan 0.000 0.484 502 L N 1.996 123.148 121.223 -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 42.105 42.059 -0.222 0.000 1.080 502 L HN 0.316 nan 8.230 nan 0.000 0.541 503 K N 1.896 122.255 120.400 -0.069 0.000 2.505 503 K HA -0.087 4.233 4.320 -0.000 0.000 0.272 503 K C 0.035 176.688 176.600 0.089 0.000 0.963 503 K CA 0.040 56.320 56.287 -0.012 0.000 0.932 503 K CB 0.068 32.532 32.500 -0.060 0.000 0.924 503 K HN 0.319 nan 8.250 nan 0.000 0.520 504 K N 2.163 122.606 120.400 0.072 0.000 2.021 504 K HA 0.027 4.347 4.320 -0.000 0.000 0.238 504 K C 0.507 177.183 176.600 0.128 0.000 1.149 504 K CA 0.620 56.962 56.287 0.091 0.000 1.105 504 K CB -1.040 31.493 32.500 0.054 0.000 1.246 504 K HN 0.859 nan 8.250 nan 0.000 0.307 505 G N 3.075 111.991 108.800 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 -0.734 174.315 174.900 0.248 0.000 1.461 505 G CA -0.355 44.858 45.100 0.187 0.000 0.897 505 G HN 0.887 nan 8.290 nan 0.000 0.547 506 D N -1.522 118.952 120.400 0.123 0.000 3.478 506 D HA 0.010 4.650 4.640 -0.000 0.000 0.219 506 D C -0.277 176.141 176.300 0.196 0.000 1.143 506 D CA 1.952 56.000 54.000 0.080 0.000 1.047 506 D CB -1.776 39.065 40.800 0.068 0.000 0.820 506 D HN 2.237 nan 8.370 nan 0.000 0.393 507 Y N -1.658 118.639 120.300 -0.005 0.000 2.522 507 Y HA 0.491 5.041 4.550 -0.000 0.000 0.326 507 Y C -0.607 175.256 175.900 -0.062 0.000 1.198 507 Y CA -0.628 57.473 58.100 0.002 0.000 1.112 507 Y CB 0.259 38.768 38.460 0.082 0.000 1.342 507 Y HN 0.268 nan 8.280 nan 0.000 0.460 508 S N 4.092 119.772 115.700 -0.033 0.000 2.686 508 S HA 0.771 5.241 4.470 -0.000 0.000 0.270 508 S C -0.553 173.931 174.600 -0.194 0.000 1.194 508 S CA -0.514 57.537 58.200 -0.249 0.000 0.990 508 S CB 1.933 64.927 63.200 -0.343 0.000 1.029 508 S HN 1.274 nan 8.310 nan 0.000 0.560 509 I N 0.403 120.735 120.570 -0.396 0.000 2.534 509 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 509 I C -1.969 173.989 176.117 -0.265 0.000 1.094 509 I CA -0.995 60.079 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 0.356 176.245 175.900 -0.019 0.000 1.049 510 Y CA 0.023 58.112 58.100 -0.017 0.000 1.294 510 Y CB 1.003 39.487 38.460 0.040 0.000 1.179 510 Y HN 0.273 nan 8.280 nan 0.000 0.520 511 V N 5.017 124.993 119.914 0.103 0.000 2.850 511 V HA 0.579 4.699 4.120 -0.000 0.000 0.315 511 V C -0.720 175.422 176.094 0.081 0.000 1.064 511 V CA -1.013 61.325 62.300 0.063 0.000 0.979 511 V CB 1.869 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 3.897 125.161 121.223 0.069 0.000 2.639 512 L HA 0.646 4.986 4.340 -0.000 0.000 0.264 512 L C -1.382 175.532 176.870 0.073 0.000 0.948 512 L CA 0.154 55.035 54.840 0.068 0.000 0.912 512 L CB 1.050 43.150 42.059 0.067 0.000 1.294 512 L HN 0.579 nan 8.230 nan 0.000 0.412 513 L N 2.608 123.882 121.223 0.085 0.000 2.293 513 L HA 0.938 5.278 4.340 -0.000 0.000 0.264 513 L C -0.133 176.811 176.870 0.124 0.000 1.029 513 L CA -0.879 54.039 54.840 0.130 0.000 0.897 513 L CB 2.073 44.239 42.059 0.178 0.000 1.497 513 L HN 0.744 nan 8.230 nan 0.000 0.495 514 S N -1.348 114.449 115.700 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 0.826 177.032 176.300 -0.157 0.000 1.121 515 D CA 0.414 54.214 54.000 -0.333 0.000 0.830 515 D CB 0.059 40.660 40.800 -0.332 0.000 1.280 515 D HN 0.508 nan 8.370 nan 0.000 0.522 516 A N -1.101 121.674 122.820 -0.076 0.000 2.295 516 A HA 0.513 4.833 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 19.704 19.000 -0.031 0.000 1.331 516 A HN 0.054 nan 8.150 nan 0.000 0.501 517 Q N -2.933 116.848 119.800 -0.033 0.000 7.952 517 Q HA -0.107 4.233 4.340 -0.000 0.000 0.369 517 Q C 0.540 176.536 176.000 -0.007 0.000 0.943 517 Q CA 0.933 56.728 55.803 -0.014 0.000 0.540 517 Q CB -0.756 27.978 28.738 -0.006 0.000 0.157 517 Q HN 0.238 nan 8.270 nan 0.000 0.899 518 N N 0.942 119.638 118.700 -0.005 0.000 2.677 518 N HA -0.355 4.385 4.740 -0.000 0.000 0.230 518 N C 0.017 175.536 175.510 0.014 0.000 1.021 518 N CA 2.078 55.130 53.050 0.003 0.000 1.156 518 N CB -0.699 37.790 38.487 0.003 0.000 1.117 518 N HN 0.628 nan 8.380 nan 0.000 0.614 519 N N -3.090 115.622 118.700 0.021 0.000 2.936 519 N HA -0.167 4.573 4.740 -0.000 0.000 0.236 519 N C -2.320 173.215 175.510 0.042 0.000 0.930 519 N CA 0.515 53.583 53.050 0.031 0.000 0.966 519 N CB -0.935 37.565 38.487 0.021 0.000 1.090 519 N HN 0.299 nan 8.380 nan 0.000 0.592 520 P HA -0.081 nan 4.420 nan 0.000 0.263 520 P C -0.544 176.789 177.300 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 0.320 177.226 176.870 0.061 0.000 1.797 522 L CA -0.132 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 62.183 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 1.488 121.290 119.914 -0.187 0.000 2.530 524 V HA 0.791 4.911 4.120 -0.000 0.000 0.282 524 V C -0.485 175.444 176.094 -0.275 0.000 1.048 524 V CA -0.419 61.683 62.300 -0.330 0.000 0.997 524 V CB 0.876 32.485 31.823 -0.357 0.000 0.987 524 V HN 0.491 nan 8.190 nan 0.000 0.477 525 V N 4.874 124.572 119.914 -0.360 0.000 2.454 525 V HA 0.342 4.462 4.120 -0.000 0.000 0.267 525 V C 0.020 175.706 176.094 -0.680 0.000 0.993 525 V CA -0.652 61.388 62.300 -0.434 0.000 0.836 525 V CB 0.710 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 0.365 5.105 4.740 -0.000 0.000 0.222 526 N C 0.156 175.179 175.510 -0.812 0.000 1.311 526 N CA 0.521 53.230 53.050 -0.567 0.000 0.880 526 N CB 0.636 38.898 38.487 -0.375 0.000 1.106 526 N HN 0.815 nan 8.380 nan 0.000 0.435 527 A N 0.224 122.639 122.820 -0.675 0.000 2.499 527 A HA 0.401 4.721 4.320 -0.000 0.000 0.280 527 A C -0.628 176.722 177.584 -0.391 0.000 1.135 527 A CA -0.703 50.962 52.037 -0.620 0.000 0.744 527 A CB 0.455 19.062 19.000 -0.654 0.000 1.213 527 A HN 0.424 nan 8.150 nan 0.000 0.434 528 T N 2.710 117.154 114.554 -0.183 0.000 2.727 528 T HA 0.458 4.808 4.350 -0.000 0.000 0.298 528 T C 0.137 174.848 174.700 0.017 0.000 0.942 528 T CA 0.011 62.071 62.100 -0.066 0.000 0.997 528 T CB 0.337 69.180 68.868 -0.042 0.000 0.917 528 T HN 0.438 nan 8.240 nan 0.000 0.487 529 V N 3.652 123.604 119.914 0.063 0.000 2.630 529 V HA 0.710 4.830 4.120 -0.000 0.000 0.305 529 V C 0.345 176.491 176.094 0.087 0.000 1.046 529 V CA -0.952 61.414 62.300 0.110 0.000 0.934 529 V CB 1.311 33.253 31.823 0.198 0.000 1.003 529 V HN 1.140 nan 8.190 nan 0.000 0.451 530 c N 0.815 119.458 118.600 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 -0.908 55.453 56.329 0.053 0.000 1.347 530 c CB 0.658 43.192 42.510 0.040 0.000 1.764 530 c HN 0.767 nan 8.230 nan 0.000 0.489 531 S N 1.071 116.794 115.700 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 59.026 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 2.584 121.199 118.600 0.025 0.000 3.271 532 c HA 0.442 5.012 4.570 -0.000 0.000 0.353 532 c C 0.662 174.762 174.090 0.017 0.000 1.510 532 c CA -0.478 55.864 56.329 0.021 0.000 1.149 532 c CB 0.828 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 -0.224 119.985 120.200 0.015 0.000 2.694 533 E HA 0.453 4.803 4.350 -0.000 0.000 0.224 533 E C 1.008 177.615 176.600 0.012 0.000 1.068 533 E CA 1.417 57.824 56.400 0.011 0.000 1.043 533 E CB 0.149 29.854 29.700 0.008 0.000 2.367 533 E HN 0.935 nan 8.360 nan 0.000 0.565 534 G N -0.320 108.486 108.800 0.010 0.000 3.531 534 G HA2 0.196 4.156 3.960 -0.000 0.000 0.212 534 G HA3 0.196 4.156 3.960 -0.000 0.000 0.212 534 G C -0.260 174.643 174.900 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 -0.614 55.673 56.287 0.000 0.000 0.865 535 K CB 2.139 34.638 32.500 -0.002 0.000 1.090 535 K HN 0.116 nan 8.250 nan 0.000 0.450 536 A N 4.714 127.531 122.820 -0.004 0.000 2.532 536 A HA -0.049 4.271 4.320 -0.000 0.000 0.269 536 A C 0.030 177.616 177.584 0.004 0.000 1.079 536 A CA 0.462 52.498 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 0.413 4.583 4.170 -0.000 0.000 0.312 537 I C 0.533 176.660 176.117 0.016 0.000 1.011 537 I CA -1.122 60.186 61.300 0.013 0.000 1.105 537 I CB 1.316 39.325 38.000 0.015 0.000 1.291 537 I HN 0.683 nan 8.210 nan 0.000 0.474 538 K N 3.508 123.916 120.400 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 33.286 32.500 0.008 0.000 0.933 538 K HN 0.706 nan 8.250 nan 0.000 0.477 539 c N 1.913 120.522 118.600 0.015 0.000 2.369 539 c HA 0.314 4.884 4.570 -0.000 0.000 0.089 539 c C 0.112 174.210 174.090 0.014 0.000 2.614 539 c CA -0.297 56.043 56.329 0.017 0.000 1.724 539 c CB 0.705 43.227 42.510 0.020 0.000 2.453 539 c HN 0.960 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