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 1q5b_1_C 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 0.756 177.265 176.519 -0.017 0.000 0.958 2 W CA -0.631 56.706 57.345 -0.013 0.000 1.492 2 W CB 0.601 30.052 29.460 -0.014 0.000 1.336 2 W HN 0.281 nan 8.180 nan 0.000 0.371 3 V N 1.834 121.880 119.914 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 61.984 62.300 0.127 0.000 0.686 3 V CB 0.313 32.175 31.823 0.066 0.000 1.152 3 V HN 0.315 nan 8.190 nan 0.000 0.353 4 I N 0.880 121.487 120.570 0.061 0.000 2.563 4 I HA 0.547 4.717 4.170 -0.000 0.000 0.285 4 I C -2.734 173.398 176.117 0.025 0.000 1.123 4 I CA -2.015 59.306 61.300 0.034 0.000 1.059 4 I CB 1.866 39.868 38.000 0.004 0.000 1.229 4 I HN 0.604 nan 8.210 nan 0.000 0.442 5 P HA 0.233 nan 4.420 nan 0.000 0.266 5 P C -2.547 174.761 177.300 0.013 0.000 1.193 5 P CA -0.478 62.637 63.100 0.026 0.000 0.770 5 P CB -0.394 31.324 31.700 0.030 0.000 0.836 6 P HA 0.176 nan 4.420 nan 0.000 0.269 6 P C -0.536 176.771 177.300 0.011 0.000 1.215 6 P CA 0.230 63.335 63.100 0.009 0.000 0.780 6 P CB 0.373 32.082 31.700 0.016 0.000 0.898 7 I N 1.908 122.481 120.570 0.006 0.000 2.354 7 I HA 0.219 4.389 4.170 -0.000 0.000 0.286 7 I C 0.045 176.179 176.117 0.028 0.000 1.007 7 I CA -1.207 60.102 61.300 0.014 0.000 1.167 7 I CB 1.078 39.082 38.000 0.007 0.000 1.320 7 I HN 0.151 nan 8.210 nan 0.000 0.458 8 K N 5.797 126.218 120.400 0.034 0.000 2.350 8 K HA 0.552 4.872 4.320 -0.000 0.000 0.279 8 K C -0.613 176.018 176.600 0.051 0.000 1.027 8 K CA -0.453 55.859 56.287 0.043 0.000 0.969 8 K CB 0.769 33.291 32.500 0.037 0.000 0.954 8 K HN 0.310 nan 8.250 nan 0.000 0.474 9 V N 0.993 120.945 119.914 0.063 0.000 2.808 9 V HA 0.336 4.456 4.120 -0.000 0.000 0.308 9 V C -0.216 175.920 176.094 0.071 0.000 1.099 9 V CA -1.025 61.319 62.300 0.072 0.000 0.920 9 V CB 2.119 33.999 31.823 0.095 0.000 1.014 9 V HN 0.877 nan 8.190 nan 0.000 0.425 10 S N 2.169 117.907 115.700 0.063 0.000 2.614 10 S HA 0.362 4.832 4.470 -0.000 0.000 0.265 10 S C -0.187 174.455 174.600 0.070 0.000 1.303 10 S CA -0.314 57.921 58.200 0.059 0.000 1.000 10 S CB 0.967 64.195 63.200 0.046 0.000 0.935 10 S HN 0.898 nan 8.310 nan 0.000 0.551 11 E N 1.208 121.447 120.200 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 29.976 29.700 0.066 0.000 1.120 11 E HN 0.833 nan 8.360 nan 0.000 0.397 12 N N 1.774 120.511 118.700 0.061 0.000 2.725 12 N HA -0.229 4.511 4.740 -0.000 0.000 0.251 12 N C -0.751 174.804 175.510 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 0.950 121.213 120.200 0.105 0.000 2.374 13 E HA 0.416 4.766 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 -0.327 56.150 56.400 0.128 0.000 0.907 13 E CB 0.669 30.471 29.700 0.170 0.000 1.014 13 E HN 0.247 nan 8.360 nan 0.000 0.427 14 R N 1.197 121.758 120.500 0.102 0.000 2.725 14 R HA 0.446 4.786 4.340 -0.000 0.000 0.276 14 R C -1.127 175.135 176.300 -0.064 0.000 1.189 14 R CA 0.316 56.470 56.100 0.091 0.000 1.083 14 R CB 1.076 31.427 30.300 0.085 0.000 1.262 14 R HN 0.630 nan 8.270 nan 0.000 0.415 15 G N 2.884 111.556 108.800 -0.214 0.000 2.529 15 G HA2 0.443 4.403 3.960 -0.000 0.000 0.238 15 G HA3 0.443 4.403 3.960 -0.000 0.000 0.238 15 G C -2.810 171.869 174.900 -0.368 0.000 1.207 15 G CA -0.571 44.370 45.100 -0.265 0.000 0.928 15 G HN 0.450 nan 8.290 nan 0.000 0.495 16 P HA 0.528 nan 4.420 nan 0.000 0.293 16 P C -1.353 175.675 177.300 -0.454 0.000 1.313 16 P CA -0.142 62.788 63.100 -0.284 0.000 0.787 16 P CB 1.035 32.628 31.700 -0.179 0.000 0.910 17 F N 3.764 123.685 119.950 -0.048 0.000 2.377 17 F HA 0.401 4.928 4.527 -0.000 0.000 0.328 17 F C -1.010 174.755 175.800 -0.058 0.000 1.094 17 F CA -1.410 56.556 58.000 -0.057 0.000 1.093 17 F CB 0.021 38.986 39.000 -0.058 0.000 1.214 17 F HN 0.270 nan 8.300 nan 0.000 0.518 18 P HA 0.269 nan 4.420 nan 0.000 0.286 18 P C -1.533 175.737 177.300 -0.050 0.000 1.293 18 P CA -0.363 62.791 63.100 0.090 0.000 0.770 18 P CB 0.544 32.269 31.700 0.041 0.000 1.206 19 K N 0.207 120.612 120.400 0.007 0.000 2.615 19 K HA 0.313 4.633 4.320 -0.000 0.000 0.249 19 K C -0.845 175.742 176.600 -0.021 0.000 0.977 19 K CA -0.290 55.964 56.287 -0.055 0.000 0.833 19 K CB 1.173 33.655 32.500 -0.030 0.000 1.208 19 K HN 0.182 nan 8.250 nan 0.000 0.443 20 R N 3.481 123.917 120.500 -0.106 0.000 2.442 20 R HA 0.195 4.535 4.340 -0.000 0.000 0.291 20 R C 0.371 176.688 176.300 0.028 0.000 1.069 20 R CA -0.096 55.946 56.100 -0.097 0.000 1.022 20 R CB 0.547 30.592 30.300 -0.426 0.000 0.976 20 R HN 0.462 nan 8.270 nan 0.000 0.443 21 L N 2.950 124.258 121.223 0.141 0.000 2.379 21 L HA 0.264 4.604 4.340 -0.000 0.000 0.190 21 L C 0.320 177.309 176.870 0.199 0.000 1.111 21 L CA 0.849 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 0.429 4.549 4.120 -0.000 0.000 0.299 22 V C -1.885 174.251 176.094 0.071 0.000 1.376 22 V CA -0.623 61.801 62.300 0.207 0.000 1.063 22 V CB 2.254 34.102 31.823 0.041 0.000 1.103 22 V HN 0.330 nan 8.190 nan 0.000 0.451 23 Q N 3.255 122.822 119.800 -0.388 0.000 2.340 23 Q HA 0.721 5.061 4.340 -0.000 0.000 0.268 23 Q C -1.250 174.411 176.000 -0.566 0.000 1.031 23 Q CA -0.712 54.579 55.803 -0.854 0.000 0.804 23 Q CB 1.921 29.500 28.738 -1.931 0.000 1.286 23 Q HN 0.840 nan 8.270 nan 0.000 0.448 24 I N 0.034 120.277 120.570 -0.545 0.000 2.603 24 I HA 0.695 4.865 4.170 -0.000 0.000 0.300 24 I C -1.328 174.446 176.117 -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 3.579 123.769 120.400 -0.350 0.000 2.482 25 K HA 0.438 4.758 4.320 -0.000 0.000 0.251 25 K C -1.269 175.325 176.600 -0.010 0.000 0.936 25 K CA -0.458 55.699 56.287 -0.217 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 1.591 117.411 115.700 0.200 0.000 2.508 26 S HA 0.140 4.610 4.470 -0.000 0.000 0.284 26 S C 0.688 175.355 174.600 0.112 0.000 1.192 26 S CA -0.639 57.667 58.200 0.176 0.000 1.070 26 S CB 0.471 63.812 63.200 0.236 0.000 1.004 26 S HN 0.827 nan 8.310 nan 0.000 0.493 27 N N 2.905 121.645 118.700 0.066 0.000 2.299 27 N HA 0.096 4.836 4.740 -0.000 0.000 0.187 27 N C 0.893 176.438 175.510 0.058 0.000 1.099 27 N CA -0.217 52.861 53.050 0.047 0.000 0.867 27 N CB 0.012 38.514 38.487 0.024 0.000 0.974 27 N HN 0.413 nan 8.380 nan 0.000 0.477 28 K N 1.143 121.584 120.400 0.069 0.000 2.630 28 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 28 K C -0.003 176.656 176.600 0.098 0.000 1.024 28 K CA 0.385 56.716 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 -1.530 118.925 120.400 0.092 0.000 2.339 29 D HA -0.092 4.548 4.640 -0.000 0.000 0.217 29 D C 1.550 177.904 176.300 0.090 0.000 1.050 29 D CA -0.074 53.982 54.000 0.094 0.000 0.856 29 D CB 0.184 41.033 40.800 0.081 0.000 0.922 29 D HN 0.034 nan 8.370 nan 0.000 0.518 30 R N -0.580 119.978 120.500 0.097 0.000 2.127 30 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 30 R C 1.354 177.718 176.300 0.106 0.000 1.134 30 R CA 1.108 57.259 56.100 0.084 0.000 0.975 30 R CB -0.323 30.029 30.300 0.087 0.000 0.865 30 R HN 0.341 nan 8.270 nan 0.000 0.447 31 F N 0.070 120.028 119.950 0.013 0.000 2.147 31 F HA 0.142 4.669 4.527 -0.000 0.000 0.291 31 F C 0.867 176.676 175.800 0.014 0.000 1.093 31 F CA 0.916 58.923 58.000 0.012 0.000 1.263 31 F CB 0.070 39.076 39.000 0.011 0.000 1.036 31 F HN 0.025 nan 8.300 nan 0.000 0.481 32 N N -0.551 118.206 118.700 0.096 0.000 3.343 32 N HA 0.223 4.963 4.740 -0.000 0.000 0.330 32 N C -1.752 173.777 175.510 0.033 0.000 1.560 32 N CA -0.795 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 0.481 120.904 120.400 0.039 0.000 2.205 33 K HA 0.459 4.779 4.320 -0.000 0.000 0.279 33 K C -1.119 175.525 176.600 0.074 0.000 1.027 33 K CA -0.506 55.821 56.287 0.065 0.000 0.932 33 K CB 0.651 33.211 32.500 0.100 0.000 1.032 33 K HN 0.294 nan 8.250 nan 0.000 0.466 34 V N 4.679 124.602 119.914 0.015 0.000 2.483 34 V HA 0.192 4.312 4.120 -0.000 0.000 0.295 34 V C -0.963 175.029 176.094 -0.170 0.000 1.035 34 V CA -0.765 61.468 62.300 -0.111 0.000 0.896 34 V CB 1.090 32.752 31.823 -0.268 0.000 0.986 34 V HN 0.677 nan 8.190 nan 0.000 0.447 35 Y N 4.797 124.960 120.300 -0.229 0.000 2.369 35 Y HA 0.511 5.061 4.550 -0.000 0.000 0.337 35 Y C -0.574 175.236 175.900 -0.150 0.000 0.961 35 Y CA -0.701 57.356 58.100 -0.071 0.000 1.186 35 Y CB 0.710 39.191 38.460 0.035 0.000 1.139 35 Y HN 0.595 nan 8.280 nan 0.000 0.494 36 Y N 4.535 124.802 120.300 -0.056 0.000 2.336 36 Y HA 0.377 4.927 4.550 -0.000 0.000 0.335 36 Y C 0.711 176.594 175.900 -0.027 0.000 1.046 36 Y CA -0.048 58.046 58.100 -0.011 0.000 1.198 36 Y CB 0.946 39.381 38.460 -0.041 0.000 1.182 36 Y HN 0.642 nan 8.280 nan 0.000 0.502 37 S N 4.059 119.928 115.700 0.282 0.000 2.811 37 S HA 0.848 5.318 4.470 -0.000 0.000 0.311 37 S C -1.121 173.636 174.600 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 0.664 121.387 120.570 0.255 0.000 2.800 38 I HA 0.547 4.717 4.170 -0.000 0.000 0.294 38 I C -1.728 174.508 176.117 0.198 0.000 1.538 38 I CA -0.223 61.184 61.300 0.179 0.000 1.010 38 I CB 1.999 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 2.429 117.089 114.554 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 -0.130 62.071 62.100 0.167 0.000 1.005 39 T CB 2.020 71.032 68.868 0.241 0.000 1.136 39 T HN 1.646 nan 8.240 nan 0.000 0.498 40 G N 0.541 109.397 108.800 0.092 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 0.901 nan 8.290 nan 0.000 0.508 41 Q N -0.062 119.764 119.800 0.044 0.000 2.313 41 Q HA 0.423 4.763 4.340 -0.000 0.000 0.266 41 Q C 1.305 177.378 176.000 0.121 0.000 0.989 41 Q CA 1.249 57.064 55.803 0.020 0.000 0.890 41 Q CB 1.086 29.781 28.738 -0.071 0.000 1.200 41 Q HN 2.251 nan 8.270 nan 0.000 0.396 42 G N 1.365 110.256 108.800 0.152 0.000 2.241 42 G HA2 -0.335 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 0.438 175.537 174.900 0.332 0.000 0.998 42 G CA 0.324 45.640 45.100 0.360 0.000 0.621 42 G HN 0.744 nan 8.290 nan 0.000 0.519 43 A N 0.768 123.717 122.820 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 53.645 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 0.609 nan 8.150 nan 0.000 0.419 44 D N -0.323 120.139 120.400 0.104 0.000 2.346 44 D HA 0.039 4.679 4.640 -0.000 0.000 0.206 44 D C -0.247 176.089 176.300 0.061 0.000 1.001 44 D CA 0.023 54.071 54.000 0.080 0.000 0.871 44 D CB -0.416 40.432 40.800 0.080 0.000 0.943 44 D HN 0.192 nan 8.370 nan 0.000 0.518 45 N N 1.442 120.179 118.700 0.062 0.000 2.492 45 N HA 0.289 5.029 4.740 -0.000 0.000 0.289 45 N C -2.642 172.886 175.510 0.031 0.000 1.133 45 N CA -1.649 51.425 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 -0.428 176.887 177.300 0.024 0.000 1.236 47 P CA 0.449 63.536 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 0.415 4.755 4.340 -0.000 0.000 0.263 48 Q C 1.251 177.263 176.000 0.021 0.000 0.979 48 Q CA 0.145 55.970 55.803 0.037 0.000 0.885 48 Q CB 0.380 29.138 28.738 0.033 0.000 1.218 48 Q HN 0.677 nan 8.270 nan 0.000 0.405 49 G N 1.160 109.983 108.800 0.037 0.000 2.149 49 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.235 49 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.235 49 G C 0.423 175.270 174.900 -0.089 0.000 1.018 49 G CA 0.163 45.263 45.100 0.000 0.000 0.728 49 G HN 0.481 nan 8.290 nan 0.000 0.508 50 V N -1.356 118.477 119.914 -0.134 0.000 2.649 50 V HA 0.344 4.464 4.120 -0.000 0.000 0.248 50 V C 0.975 176.582 176.094 -0.812 0.000 1.054 50 V CA 1.500 63.495 62.300 -0.508 0.000 1.073 50 V CB -0.380 31.039 31.823 -0.674 0.000 0.699 50 V HN 0.345 nan 8.190 nan 0.000 0.463 51 F N 0.409 120.328 119.950 -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 1.649 40.622 39.000 -0.046 0.000 1.209 51 F HN -0.006 nan 8.300 nan 0.000 0.462 52 R N 1.793 122.412 120.500 0.198 0.000 2.680 52 R HA 0.830 5.170 4.340 -0.000 0.000 0.269 52 R C -2.178 174.215 176.300 0.155 0.000 1.026 52 R CA -0.902 55.292 56.100 0.157 0.000 0.889 52 R CB 2.455 32.824 30.300 0.115 0.000 1.241 52 R HN 0.796 nan 8.270 nan 0.000 0.463 53 I N 0.686 121.347 120.570 0.151 0.000 2.646 53 I HA 0.293 4.463 4.170 -0.000 0.000 0.299 53 I C -0.563 175.643 176.117 0.148 0.000 1.036 53 I CA -1.065 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 8.122 128.395 120.200 0.120 0.000 1.932 54 E HA -0.013 4.337 4.350 -0.000 0.000 0.275 54 E C 0.480 177.066 176.600 -0.022 0.000 1.159 54 E CA -0.360 56.074 56.400 0.056 0.000 0.905 54 E CB 0.190 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 4.104 125.335 121.300 -0.115 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 1.511 58.633 57.345 -0.372 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 0.513 120.278 120.200 -0.725 0.000 2.389 56 E HA -0.082 4.268 4.350 -0.000 0.000 0.199 56 E C 2.323 178.813 176.600 -0.185 0.000 0.978 56 E CA 1.430 57.491 56.400 -0.564 0.000 0.912 56 E CB 0.128 29.130 29.700 -1.163 0.000 0.907 56 E HN 0.261 nan 8.360 nan 0.000 0.494 57 T N -3.793 110.664 114.554 -0.162 0.000 3.021 57 T HA 0.262 4.612 4.350 -0.000 0.000 0.245 57 T C 1.492 176.011 174.700 -0.302 0.000 1.028 57 T CA 0.582 62.607 62.100 -0.125 0.000 1.139 57 T CB 0.619 69.517 68.868 0.050 0.000 0.884 57 T HN 0.189 nan 8.240 nan 0.000 0.457 58 G N 0.462 109.081 108.800 -0.301 0.000 2.135 58 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.183 58 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.183 58 G C -0.311 174.324 174.900 -0.441 0.000 1.004 58 G CA -0.535 44.205 45.100 -0.601 0.000 0.677 58 G HN 0.543 nan 8.290 nan 0.000 0.512 59 W N -0.169 121.034 121.300 -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 -0.901 56.382 57.345 -0.103 0.000 1.218 59 W CB 1.132 30.544 29.460 -0.079 0.000 1.205 59 W HN 0.132 nan 8.180 nan 0.000 0.559 60 M N 4.320 124.100 119.600 0.300 0.000 2.364 60 M HA 0.584 5.064 4.480 -0.000 0.000 0.334 60 M C -1.311 175.116 176.300 0.212 0.000 1.107 60 M CA -0.467 54.951 55.300 0.197 0.000 0.988 60 M CB 0.944 33.617 32.600 0.121 0.000 1.673 60 M HN 0.341 nan 8.290 nan 0.000 0.441 61 L N 3.610 124.948 121.223 0.191 0.000 2.350 61 L HA 0.759 5.099 4.340 -0.000 0.000 0.260 61 L C -0.929 176.040 176.870 0.164 0.000 1.015 61 L CA -1.203 53.729 54.840 0.153 0.000 0.821 61 L CB 1.863 43.977 42.059 0.091 0.000 1.370 61 L HN 0.426 nan 8.230 nan 0.000 0.416 62 V N 0.094 120.069 119.914 0.102 0.000 2.427 62 V HA 0.266 4.386 4.120 -0.000 0.000 0.286 62 V C 0.669 176.732 176.094 -0.052 0.000 1.034 62 V CA 0.346 62.593 62.300 -0.088 0.000 0.893 62 V CB 1.686 33.523 31.823 0.022 0.000 0.982 62 V HN 0.925 nan 8.190 nan 0.000 0.452 63 T N 6.473 120.866 114.554 -0.268 0.000 3.044 63 T HA 0.266 4.616 4.350 -0.000 0.000 0.255 63 T C 0.660 175.018 174.700 -0.569 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 0.075 120.082 120.500 -0.822 0.000 2.752 64 R HA 0.570 4.910 4.340 -0.000 0.000 0.271 64 R C -3.345 172.430 176.300 -0.875 0.000 1.026 64 R CA -1.918 53.453 56.100 -1.215 0.000 0.901 64 R CB 0.241 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 -0.636 176.278 176.870 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 44.068 42.059 0.053 0.000 1.388 66 L HN 0.118 nan 8.230 nan 0.000 0.413 67 D N -0.357 120.109 120.400 0.110 0.000 2.505 67 D HA 0.301 4.941 4.640 -0.000 0.000 0.250 67 D C 0.827 177.204 176.300 0.128 0.000 1.164 67 D CA -0.754 53.304 54.000 0.096 0.000 0.870 67 D CB 1.555 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 2.556 123.126 120.500 0.115 0.000 2.127 68 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 68 R C 0.903 177.248 176.300 0.076 0.000 1.134 68 R CA 1.225 57.398 56.100 0.121 0.000 0.975 68 R CB -0.181 30.175 30.300 0.093 0.000 0.865 68 R HN 0.251 nan 8.270 nan 0.000 0.447 69 E N 0.687 120.916 120.200 0.047 0.000 2.209 69 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 69 E C 1.660 178.244 176.600 -0.026 0.000 0.993 69 E CA 1.630 58.036 56.400 0.010 0.000 0.819 69 E CB 0.025 29.730 29.700 0.008 0.000 0.745 69 E HN 0.603 nan 8.360 nan 0.000 0.477 70 E N -1.421 118.777 120.200 -0.003 0.000 2.024 70 E HA 0.005 4.355 4.350 -0.000 0.000 0.190 70 E C -0.388 176.059 176.600 -0.254 0.000 0.974 70 E CA 0.518 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 0.137 nan 8.360 nan 0.000 0.453 71 Y N 0.404 120.730 120.300 0.044 0.000 2.346 71 Y HA 0.130 4.680 4.550 -0.000 0.000 0.332 71 Y C -0.359 175.591 175.900 0.083 0.000 0.985 71 Y CA -0.841 57.254 58.100 -0.009 0.000 1.112 71 Y CB 1.635 40.010 38.460 -0.142 0.000 1.170 71 Y HN 0.105 nan 8.280 nan 0.000 0.447 72 D N 1.099 121.599 120.400 0.166 0.000 2.349 72 D HA 0.105 4.745 4.640 -0.000 0.000 0.214 72 D C 0.025 176.440 176.300 0.191 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 -0.919 119.604 120.400 0.205 0.000 2.610 73 K HA 0.346 4.666 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 55.756 56.287 0.222 0.000 0.859 73 K CB 1.215 33.779 32.500 0.106 0.000 1.434 73 K HN -0.154 nan 8.250 nan 0.000 0.410 74 Y N -0.064 120.237 120.300 0.001 0.000 2.553 74 Y HA 0.573 5.123 4.550 -0.000 0.000 0.347 74 Y C -0.814 175.028 175.900 -0.096 0.000 1.019 74 Y CA -0.815 57.247 58.100 -0.062 0.000 1.032 74 Y CB 2.452 40.818 38.460 -0.156 0.000 1.284 74 Y HN 0.178 nan 8.280 nan 0.000 0.466 75 V N 4.236 124.182 119.914 0.052 0.000 2.638 75 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 75 V C -0.791 175.293 176.094 -0.017 0.000 1.052 75 V CA -0.819 61.481 62.300 0.001 0.000 0.885 75 V CB 1.957 33.781 31.823 0.002 0.000 0.999 75 V HN 0.578 nan 8.190 nan 0.000 0.424 76 L N 2.484 123.677 121.223 -0.050 0.000 2.350 76 L HA 0.721 5.061 4.340 -0.000 0.000 0.260 76 L C -0.320 176.516 176.870 -0.055 0.000 1.015 76 L CA -0.602 54.207 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 0.578 nan 8.230 nan 0.000 0.416 77 S N 0.482 116.151 115.700 -0.052 0.000 2.478 77 S HA 0.616 5.086 4.470 -0.000 0.000 0.312 77 S C -0.571 173.840 174.600 -0.314 0.000 1.094 77 S CA -0.548 57.574 58.200 -0.129 0.000 1.081 77 S CB 1.151 64.328 63.200 -0.038 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 -0.823 173.435 174.600 -0.571 0.000 1.152 78 S CA -0.772 57.206 58.200 -0.371 0.000 1.072 78 S CB 0.832 63.950 63.200 -0.137 0.000 1.027 78 S HN 0.792 nan 8.310 nan 0.000 0.500 79 H N 0.233 119.382 119.070 0.132 0.000 2.894 79 H HA 0.800 5.356 4.556 -0.000 0.000 0.368 79 H C -0.847 174.590 175.328 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 1.591 124.563 122.820 0.253 0.000 2.547 80 A HA 0.476 4.796 4.320 -0.000 0.000 0.279 80 A C -0.558 177.062 177.584 0.060 0.000 1.088 80 A CA -0.568 51.521 52.037 0.087 0.000 0.796 80 A CB 0.365 19.419 19.000 0.090 0.000 1.308 80 A HN 0.443 nan 8.150 nan 0.000 0.415 81 V N 0.638 120.587 119.914 0.060 0.000 2.994 81 V HA 0.947 5.067 4.120 -0.000 0.000 0.318 81 V C 0.418 176.538 176.094 0.044 0.000 1.085 81 V CA -0.230 62.101 62.300 0.051 0.000 0.998 81 V CB 1.497 33.346 31.823 0.043 0.000 1.063 81 V HN 1.307 nan 8.190 nan 0.000 0.447 82 S N 0.562 116.290 115.700 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 -0.388 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 2.032 122.279 120.200 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 1.509 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 0.052 118.792 118.700 0.067 0.000 2.192 84 N HA -0.181 4.559 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 54.772 53.050 0.053 0.000 0.863 84 N CB -0.012 38.532 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 -0.355 174.537 174.900 -0.014 0.000 1.006 85 G CA 0.012 45.099 45.100 -0.021 0.000 0.684 85 G HN 0.430 nan 8.290 nan 0.000 0.489 86 S N 1.752 117.452 115.700 -0.000 0.000 2.541 86 S HA 0.667 5.137 4.470 -0.000 0.000 0.283 86 S C -2.377 172.227 174.600 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 -0.283 62.834 63.100 0.029 0.000 0.784 87 P CB 0.642 32.359 31.700 0.029 0.000 0.923 88 V N -0.169 119.771 119.914 0.043 0.000 3.219 88 V HA 0.189 4.309 4.120 -0.000 0.000 0.240 88 V C 0.468 176.590 176.094 0.046 0.000 1.222 88 V CA 0.873 63.195 62.300 0.036 0.000 1.181 88 V CB -0.341 31.507 31.823 0.042 0.000 0.941 88 V HN 0.376 nan 8.190 nan 0.000 0.471 89 E N 0.867 121.108 120.200 0.068 0.000 2.212 89 E HA 0.505 4.855 4.350 -0.000 0.000 0.268 89 E C -0.923 175.724 176.600 0.079 0.000 0.902 89 E CA -0.785 55.657 56.400 0.070 0.000 0.779 89 E CB 2.332 32.080 29.700 0.081 0.000 1.172 89 E HN 0.217 nan 8.360 nan 0.000 0.409 90 E N 2.743 122.981 120.200 0.063 0.000 2.465 90 E HA 0.099 4.449 4.350 -0.000 0.000 0.260 90 E C -2.195 174.449 176.600 0.073 0.000 0.980 90 E CA -1.091 55.349 56.400 0.066 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 -0.633 176.660 177.300 -0.013 0.000 1.248 91 P CA 0.541 63.669 63.100 0.047 0.000 0.827 91 P CB 0.389 32.151 31.700 0.104 0.000 0.972 92 M N 0.377 119.928 119.600 -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 0.362 nan 8.290 nan 0.000 0.461 93 E N 3.678 123.854 120.200 -0.039 0.000 2.413 93 E HA 0.324 4.674 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 0.304 56.682 56.400 -0.036 0.000 0.916 93 E CB 0.866 30.557 29.700 -0.015 0.000 0.947 93 E HN 0.571 nan 8.360 nan 0.000 0.440 94 I N 2.957 123.497 120.570 -0.051 0.000 2.569 94 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 94 I C -0.796 175.284 176.117 -0.063 0.000 1.088 94 I CA -0.610 60.653 61.300 -0.062 0.000 1.047 94 I CB 2.446 40.392 38.000 -0.090 0.000 1.237 94 I HN 0.434 nan 8.210 nan 0.000 0.421 95 T N 6.447 120.972 114.554 -0.049 0.000 2.863 95 T HA 0.697 5.047 4.350 -0.000 0.000 0.285 95 T C -0.432 174.246 174.700 -0.037 0.000 1.009 95 T CA -0.485 61.595 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 2.967 123.525 120.570 -0.019 0.000 2.499 96 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 96 I C -0.684 175.481 176.117 0.080 0.000 1.048 96 I CA -0.969 60.328 61.300 -0.005 0.000 1.062 96 I CB 1.884 39.818 38.000 -0.109 0.000 1.238 96 I HN 0.459 nan 8.210 nan 0.000 0.426 97 N N 5.450 124.194 118.700 0.074 0.000 2.400 97 N HA 0.393 5.133 4.740 -0.000 0.000 0.288 97 N C -0.797 174.777 175.510 0.106 0.000 1.024 97 N CA -0.456 52.651 53.050 0.095 0.000 0.894 97 N CB 2.962 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 3.749 123.745 119.914 0.136 0.000 2.334 98 V HA 0.330 4.450 4.120 -0.000 0.000 0.267 98 V C 0.747 176.897 176.094 0.094 0.000 1.040 98 V CA -0.706 61.672 62.300 0.131 0.000 0.866 98 V CB 0.052 31.986 31.823 0.186 0.000 1.019 98 V HN 0.487 nan 8.190 nan 0.000 0.468 99 I N 3.902 124.516 120.570 0.074 0.000 2.533 99 I HA 0.105 4.275 4.170 -0.000 0.000 0.284 99 I C 0.901 177.049 176.117 0.051 0.000 1.109 99 I CA 0.171 61.503 61.300 0.055 0.000 1.412 99 I CB 0.271 38.298 38.000 0.045 0.000 1.396 99 I HN 0.590 nan 8.210 nan 0.000 0.543 100 D N 6.478 126.903 120.400 0.041 0.000 2.400 100 D HA 0.078 4.718 4.640 -0.000 0.000 0.238 100 D C -0.587 175.730 176.300 0.028 0.000 1.157 100 D CA 0.469 54.490 54.000 0.034 0.000 0.889 100 D CB 0.951 41.765 40.800 0.024 0.000 1.199 100 D HN 0.527 nan 8.370 nan 0.000 0.436 101 Q N 1.634 121.449 119.800 0.025 0.000 2.359 101 Q HA 0.142 4.482 4.340 -0.000 0.000 0.274 101 Q C -0.897 175.112 176.000 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 1.786 120.490 118.700 0.008 0.000 2.814 102 N HA -0.061 4.679 4.740 -0.000 0.000 0.304 102 N C -0.509 175.003 175.510 0.004 0.000 1.211 102 N CA 0.370 53.421 53.050 0.002 0.000 1.158 102 N CB 0.113 38.598 38.487 -0.003 0.000 1.458 102 N HN 0.423 nan 8.380 nan 0.000 0.519 103 D N -1.423 118.982 120.400 0.007 0.000 2.407 103 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 103 D C -0.393 175.910 176.300 0.005 0.000 1.083 103 D CA 0.035 54.041 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 0.084 nan 8.370 nan 0.000 0.506 104 N N 1.125 119.824 118.700 -0.000 0.000 2.392 104 N HA 0.234 4.974 4.740 -0.000 0.000 0.283 104 N C -0.799 174.704 175.510 -0.012 0.000 1.003 104 N CA -0.523 52.525 53.050 -0.004 0.000 0.892 104 N CB 2.285 40.769 38.487 -0.005 0.000 1.193 104 N HN 0.108 nan 8.380 nan 0.000 0.487 105 R N 2.877 123.372 120.500 -0.008 0.000 2.490 105 R HA 0.372 4.712 4.340 -0.000 0.000 0.278 105 R C -2.050 174.236 176.300 -0.023 0.000 1.069 105 R CA -0.931 55.161 56.100 -0.013 0.000 1.080 105 R CB 0.631 30.933 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 -0.278 62.775 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 -0.427 119.929 120.400 -0.074 0.000 2.561 107 K HA 0.383 4.703 4.320 -0.000 0.000 0.254 107 K C -1.148 175.464 176.600 0.020 0.000 0.942 107 K CA -0.571 55.724 56.287 0.014 0.000 0.818 107 K CB 0.981 33.513 32.500 0.054 0.000 1.306 107 K HN 0.122 nan 8.250 nan 0.000 0.435 108 F N 2.169 122.196 119.950 0.127 0.000 2.518 108 F HA 0.034 4.561 4.527 -0.000 0.000 0.359 108 F C 1.962 177.882 175.800 0.200 0.000 1.118 108 F CA 0.486 58.614 58.000 0.214 0.000 1.287 108 F CB 1.173 40.349 39.000 0.293 0.000 1.132 108 F HN 0.692 nan 8.300 nan 0.000 0.587 109 T N 1.218 116.044 114.554 0.453 0.000 2.624 109 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 109 T C 0.683 175.444 174.700 0.101 0.000 1.041 109 T CA 1.545 63.805 62.100 0.268 0.000 1.159 109 T CB -0.159 68.902 68.868 0.323 0.000 0.863 109 T HN 0.542 nan 8.240 nan 0.000 0.434 110 Q N -0.382 119.379 119.800 -0.064 0.000 2.333 110 Q HA 0.388 4.728 4.340 -0.000 0.000 0.266 110 Q C 0.335 176.225 176.000 -0.183 0.000 1.053 110 Q CA -0.674 54.913 55.803 -0.360 0.000 0.890 110 Q CB 1.000 29.172 28.738 -0.942 0.000 1.337 110 Q HN -0.030 nan 8.270 nan 0.000 0.474 111 D N -0.518 119.773 120.400 -0.181 0.000 2.346 111 D HA 0.065 4.705 4.640 -0.000 0.000 0.206 111 D C -0.598 175.638 176.300 -0.105 0.000 1.001 111 D CA 0.344 54.297 54.000 -0.078 0.000 0.871 111 D CB 0.788 41.555 40.800 -0.056 0.000 0.943 111 D HN 0.295 nan 8.370 nan 0.000 0.518 112 V N -1.796 117.992 119.914 -0.211 0.000 2.823 112 V HA 0.467 4.587 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 -0.108 0.000 0.939 112 V CB 0.711 32.491 31.823 -0.072 0.000 1.062 112 V HN -0.143 nan 8.190 nan 0.000 0.433 113 F N 2.349 122.254 119.950 -0.075 0.000 2.458 113 F HA 0.834 5.361 4.527 -0.000 0.000 0.330 113 F C 0.744 176.509 175.800 -0.060 0.000 1.082 113 F CA -0.673 57.293 58.000 -0.056 0.000 0.995 113 F CB 2.130 41.097 39.000 -0.056 0.000 1.170 113 F HN 0.422 nan 8.300 nan 0.000 0.478 114 R N 0.566 121.135 120.500 0.116 0.000 2.854 114 R HA 0.838 5.178 4.340 -0.000 0.000 0.271 114 R C -0.454 175.870 176.300 0.042 0.000 0.996 114 R CA -1.115 55.017 56.100 0.052 0.000 0.961 114 R CB 2.248 32.559 30.300 0.019 0.000 1.182 114 R HN 0.894 nan 8.270 nan 0.000 0.479 115 G N -0.387 108.422 108.800 0.016 0.000 2.684 115 G HA2 0.536 4.496 3.960 -0.000 0.000 0.290 115 G HA3 0.536 4.496 3.960 -0.000 0.000 0.290 115 G C -1.481 173.428 174.900 0.015 0.000 1.425 115 G CA -0.535 44.568 45.100 0.005 0.000 0.822 115 G HN 0.571 nan 8.290 nan 0.000 0.482 116 S N -1.616 114.097 115.700 0.022 0.000 2.537 116 S HA 0.807 5.277 4.470 -0.000 0.000 0.271 116 S C -1.114 173.515 174.600 0.049 0.000 1.148 116 S CA -0.534 57.691 58.200 0.042 0.000 0.868 116 S CB 1.646 64.868 63.200 0.037 0.000 1.115 116 S HN 1.671 nan 8.310 nan 0.000 0.461 117 V N 0.411 120.369 119.914 0.072 0.000 3.178 117 V HA 0.665 4.785 4.120 -0.000 0.000 0.302 117 V C -0.311 175.830 176.094 0.078 0.000 1.262 117 V CA -1.178 61.166 62.300 0.074 0.000 1.030 117 V CB 1.871 33.752 31.823 0.096 0.000 1.074 117 V HN 1.152 nan 8.190 nan 0.000 0.438 118 R N 1.126 121.664 120.500 0.064 0.000 2.410 118 R HA 0.314 4.654 4.340 -0.000 0.000 0.288 118 R C 1.534 177.874 176.300 0.066 0.000 1.051 118 R CA 0.133 56.270 56.100 0.062 0.000 1.021 118 R CB 1.199 31.528 30.300 0.048 0.000 1.032 118 R HN 0.999 nan 8.270 nan 0.000 0.481 119 E N 2.810 123.055 120.200 0.074 0.000 2.118 119 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 119 E C 1.012 177.644 176.600 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 29.574 29.700 0.088 0.000 0.741 119 E HN 0.832 nan 8.360 nan 0.000 0.458 120 G N 2.053 110.882 108.800 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 -2.185 117.743 119.914 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 61.448 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 0.249 nan 8.190 nan 0.000 0.484 122 Q N 2.827 122.627 119.800 -0.000 0.000 2.259 122 Q HA 0.395 4.735 4.340 -0.000 0.000 0.246 122 Q C -2.353 173.637 176.000 -0.018 0.000 0.920 122 Q CA -1.841 53.956 55.803 -0.009 0.000 0.895 122 Q CB 1.318 30.054 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 0.716 63.792 63.100 -0.040 0.000 0.763 123 P CB 0.418 32.090 31.700 -0.048 0.000 0.810 124 G N 1.470 110.259 108.800 -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 -0.370 44.726 45.100 -0.006 0.000 0.689 124 G HN 0.644 nan 8.290 nan 0.000 0.506 125 T N 0.814 115.373 114.554 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 1.879 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 3.505 123.318 119.800 0.021 0.000 2.271 126 Q HA 0.258 4.598 4.340 -0.000 0.000 0.273 126 Q C 0.283 176.295 176.000 0.021 0.000 1.051 126 Q CA -0.155 55.658 55.803 0.018 0.000 0.901 126 Q CB 0.803 29.545 28.738 0.006 0.000 1.174 126 Q HN 0.620 nan 8.270 nan 0.000 0.385 127 V N 4.792 124.718 119.914 0.019 0.000 3.064 127 V HA 0.204 4.324 4.120 -0.000 0.000 0.215 127 V C 0.753 176.837 176.094 -0.018 0.000 1.167 127 V CA 0.401 62.707 62.300 0.011 0.000 1.286 127 V CB 0.317 32.150 31.823 0.017 0.000 1.103 127 V HN 0.917 nan 8.190 nan 0.000 0.510 128 M N 0.205 119.774 119.600 -0.053 0.000 2.356 128 M HA 0.709 5.189 4.480 -0.000 0.000 0.219 128 M C -0.459 175.796 176.300 -0.075 0.000 1.004 128 M CA 0.084 55.348 55.300 -0.060 0.000 1.427 128 M CB 1.414 33.958 32.600 -0.093 0.000 1.197 128 M HN 0.537 nan 8.290 nan 0.000 0.739 129 A N 0.052 122.815 122.820 -0.095 0.000 2.547 129 A HA 0.646 4.966 4.320 -0.000 0.000 0.298 129 A C -1.720 175.734 177.584 -0.217 0.000 1.062 129 A CA -0.626 51.330 52.037 -0.134 0.000 0.748 129 A CB 1.070 20.032 19.000 -0.063 0.000 1.288 129 A HN 0.456 nan 8.150 nan 0.000 0.396 130 V N 1.337 121.014 119.914 -0.396 0.000 2.876 130 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 130 V C 0.106 175.921 176.094 -0.465 0.000 1.085 130 V CA -0.449 61.427 62.300 -0.707 0.000 0.945 130 V CB 2.369 33.677 31.823 -0.858 0.000 1.017 130 V HN 1.036 nan 8.190 nan 0.000 0.428 131 S N 1.498 117.089 115.700 -0.182 0.000 2.634 131 S HA 1.013 5.483 4.470 -0.000 0.000 0.296 131 S C -0.435 174.315 174.600 0.250 0.000 1.104 131 S CA -0.186 58.077 58.200 0.105 0.000 0.920 131 S CB 2.102 65.432 63.200 0.217 0.000 1.111 131 S HN 1.419 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 -0.922 176.658 177.584 -0.007 0.000 1.034 132 A CA -0.713 51.328 52.037 0.007 0.000 0.655 132 A CB 0.664 19.426 19.000 -0.398 0.000 1.299 132 A HN 1.066 nan 8.150 nan 0.000 0.427 133 T N -1.198 113.325 114.554 -0.051 0.000 2.843 133 T HA 0.764 5.114 4.350 -0.000 0.000 0.302 133 T C -1.690 172.973 174.700 -0.061 0.000 1.232 133 T CA -0.576 61.499 62.100 -0.043 0.000 1.009 133 T CB 2.168 71.034 68.868 -0.003 0.000 1.254 133 T HN 0.767 nan 8.240 nan 0.000 0.504 134 D N -0.520 119.848 120.400 -0.054 0.000 2.646 134 D HA 0.327 4.967 4.640 -0.000 0.000 0.245 134 D C 0.300 176.583 176.300 -0.029 0.000 1.099 134 D CA -0.504 53.467 54.000 -0.049 0.000 0.849 134 D CB 2.666 43.428 40.800 -0.063 0.000 1.448 134 D HN 0.730 nan 8.370 nan 0.000 0.489 135 E N 1.162 121.350 120.200 -0.020 0.000 2.385 135 E HA 0.001 4.351 4.350 -0.000 0.000 0.194 135 E C -0.102 176.492 176.600 -0.010 0.000 1.013 135 E CA -0.059 56.333 56.400 -0.013 0.000 0.866 135 E CB 0.456 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 1.180 121.573 120.400 -0.011 0.000 2.372 136 D HA -0.056 4.584 4.640 -0.000 0.000 0.243 136 D C 0.072 176.368 176.300 -0.006 0.000 1.297 136 D CA 0.149 54.146 54.000 -0.006 0.000 0.958 136 D CB 0.311 41.107 40.800 -0.007 0.000 1.114 136 D HN -0.019 nan 8.370 nan 0.000 0.496 137 D N -0.957 119.442 120.400 -0.001 0.000 2.390 137 D HA -0.020 4.620 4.640 -0.000 0.000 0.236 137 D C 0.081 176.376 176.300 -0.008 0.000 1.189 137 D CA 0.257 54.256 54.000 -0.001 0.000 0.887 137 D CB 0.163 40.966 40.800 0.005 0.000 1.198 137 D HN 0.570 nan 8.370 nan 0.000 0.444 138 N N 2.011 120.706 118.700 -0.008 0.000 2.423 138 N HA 0.126 4.866 4.740 -0.000 0.000 0.262 138 N C -0.050 175.455 175.510 -0.008 0.000 1.467 138 N CA -0.219 52.823 53.050 -0.013 0.000 0.847 138 N CB 0.072 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 -0.481 175.636 176.117 0.001 0.000 1.338 139 I CA 0.160 61.460 61.300 -0.001 0.000 1.244 139 I CB 0.763 38.764 38.000 0.002 0.000 1.417 139 I HN 0.027 nan 8.210 nan 0.000 0.501 140 D N -0.272 120.129 120.400 0.001 0.000 2.412 140 D HA 0.150 4.790 4.640 -0.000 0.000 0.326 140 D C 0.374 176.674 176.300 0.001 0.000 1.209 140 D CA 0.553 54.554 54.000 0.003 0.000 0.876 140 D CB 1.049 41.853 40.800 0.007 0.000 1.344 140 D HN 0.314 nan 8.370 nan 0.000 0.503 141 S N -0.685 115.014 115.700 -0.002 0.000 2.806 141 S HA 0.576 5.046 4.470 -0.000 0.000 0.306 141 S C 0.081 174.673 174.600 -0.012 0.000 1.167 141 S CA -0.627 57.570 58.200 -0.005 0.000 0.847 141 S CB 1.237 64.435 63.200 -0.003 0.000 1.216 141 S HN -0.027 nan 8.310 nan 0.000 0.532 142 L N 0.983 122.196 121.223 -0.017 0.000 2.808 142 L HA 0.329 4.669 4.340 -0.000 0.000 0.246 142 L C 0.767 177.618 176.870 -0.031 0.000 1.153 142 L CA -0.172 54.652 54.840 -0.026 0.000 0.956 142 L CB -0.472 41.570 42.059 -0.027 0.000 1.270 142 L HN 0.537 nan 8.230 nan 0.000 0.528 143 N N 1.323 120.010 118.700 -0.023 0.000 2.513 143 N HA -0.109 4.631 4.740 -0.000 0.000 0.187 143 N C 1.488 176.979 175.510 -0.032 0.000 1.056 143 N CA 1.261 54.297 53.050 -0.023 0.000 0.907 143 N CB -0.070 38.410 38.487 -0.012 0.000 0.954 143 N HN 0.351 nan 8.380 nan 0.000 0.445 144 G N -0.820 107.958 108.800 -0.036 0.000 3.979 144 G HA2 0.267 4.227 3.960 -0.000 0.000 0.287 144 G HA3 0.267 4.227 3.960 -0.000 0.000 0.287 144 G C -0.354 174.509 174.900 -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 -0.452 119.419 119.914 -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 -0.143 0.000 1.030 145 V CA -1.180 61.066 62.300 -0.091 0.000 0.881 145 V CB 1.627 33.411 31.823 -0.066 0.000 0.983 145 V HN -0.092 nan 8.190 nan 0.000 0.445 146 L N 3.821 124.911 121.223 -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 -0.284 54.343 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 -0.239 115.202 115.700 -0.432 0.000 2.672 147 S HA 0.628 5.098 4.470 -0.000 0.000 0.291 147 S C -1.072 173.336 174.600 -0.321 0.000 1.145 147 S CA -0.434 57.582 58.200 -0.307 0.000 1.013 147 S CB 0.404 63.521 63.200 -0.138 0.000 1.017 147 S HN 0.311 nan 8.310 nan 0.000 0.487 148 Y N 2.551 122.830 120.300 -0.034 0.000 2.307 148 Y HA 0.645 5.195 4.550 -0.000 0.000 0.324 148 Y C 1.134 177.034 175.900 -0.000 0.000 1.238 148 Y CA -0.085 58.002 58.100 -0.021 0.000 1.280 148 Y CB 1.505 39.947 38.460 -0.029 0.000 1.248 148 Y HN 0.793 nan 8.280 nan 0.000 0.508 149 S N 0.832 116.648 115.700 0.192 0.000 2.636 149 S HA 0.785 5.255 4.470 -0.000 0.000 0.268 149 S C -1.539 173.120 174.600 0.099 0.000 1.159 149 S CA -0.997 57.271 58.200 0.113 0.000 0.815 149 S CB 1.269 64.514 63.200 0.076 0.000 1.130 149 S HN 0.514 nan 8.310 nan 0.000 0.471 150 I N 0.897 121.508 120.570 0.067 0.000 2.730 150 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 150 I C -0.791 175.355 176.117 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 2.009 123.258 121.223 0.043 0.000 3.521 151 L HA 0.537 4.877 4.340 -0.000 0.000 0.323 151 L C -0.104 176.789 176.870 0.038 0.000 1.268 151 L CA -0.341 54.523 54.840 0.040 0.000 1.064 151 L CB -0.274 41.809 42.059 0.039 0.000 1.455 151 L HN 0.603 nan 8.230 nan 0.000 0.622 152 K N 1.757 122.182 120.400 0.042 0.000 2.372 152 K HA 0.239 4.559 4.320 -0.000 0.000 0.354 152 K C -1.513 175.124 176.600 0.063 0.000 1.394 152 K CA -0.129 56.187 56.287 0.048 0.000 1.138 152 K CB 0.920 33.442 32.500 0.037 0.000 1.399 152 K HN 0.437 nan 8.250 nan 0.000 0.480 153 Q N 2.521 122.379 119.800 0.096 0.000 2.257 153 Q HA 0.314 4.654 4.340 -0.000 0.000 0.255 153 Q C -0.460 175.637 176.000 0.163 0.000 0.920 153 Q CA -0.785 55.110 55.803 0.154 0.000 0.927 153 Q CB 1.858 30.734 28.738 0.230 0.000 1.229 153 Q HN 0.342 nan 8.270 nan 0.000 0.433 154 D N 2.793 123.289 120.400 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 52.632 54.000 0.108 0.000 1.020 154 D CB 0.058 40.891 40.800 0.055 0.000 1.117 154 D HN 0.510 nan 8.370 nan 0.000 0.545 155 P HA -0.182 nan 4.420 nan 0.000 0.014 155 P C -0.797 176.549 177.300 0.077 0.000 0.540 155 P CA 0.691 63.804 63.100 0.022 0.000 1.035 155 P CB -0.612 30.997 31.700 -0.151 0.000 1.908 156 E N -0.029 120.207 120.200 0.061 0.000 2.401 156 E HA -0.084 4.266 4.350 -0.000 0.000 0.203 156 E C 0.350 176.942 176.600 -0.012 0.000 1.229 156 E CA 0.579 57.005 56.400 0.044 0.000 1.000 156 E CB -0.075 29.646 29.700 0.034 0.000 1.052 156 E HN 0.302 nan 8.360 nan 0.000 0.497 157 E N -1.881 118.273 120.200 -0.077 0.000 2.314 157 E HA 0.275 4.625 4.350 -0.000 0.000 0.272 157 E C -2.178 174.068 176.600 -0.590 0.000 0.884 157 E CA -2.289 53.968 56.400 -0.237 0.000 0.753 157 E CB 1.599 31.207 29.700 -0.154 0.000 1.213 157 E HN -0.168 nan 8.360 nan 0.000 0.432 158 P HA -0.047 nan 4.420 nan 0.000 0.215 158 P C -0.087 177.123 177.300 -0.150 0.000 1.153 158 P CA 1.379 64.305 63.100 -0.291 0.000 0.853 158 P CB 0.072 31.641 31.700 -0.219 0.000 0.788 159 I N -7.348 113.134 120.570 -0.146 0.000 3.279 159 I HA 0.526 4.696 4.170 -0.000 0.000 0.315 159 I C -2.598 173.464 176.117 -0.091 0.000 1.187 159 I CA -2.700 58.541 61.300 -0.099 0.000 0.953 159 I CB 2.627 40.566 38.000 -0.103 0.000 1.279 159 I HN -0.366 nan 8.210 nan 0.000 0.465 160 P HA 0.315 nan 4.420 nan 0.000 0.288 160 P C -1.148 176.126 177.300 -0.045 0.000 1.682 160 P CA -0.098 62.983 63.100 -0.033 0.000 1.270 160 P CB -0.417 31.281 31.700 -0.003 0.000 1.596 161 N N 0.077 118.715 118.700 -0.104 0.000 2.646 161 N HA 0.230 4.970 4.740 -0.000 0.000 0.303 161 N C 1.005 176.371 175.510 -0.239 0.000 1.921 161 N CA -0.348 52.637 53.050 -0.108 0.000 0.872 161 N CB 0.239 38.681 38.487 -0.075 0.000 1.327 161 N HN -0.090 nan 8.380 nan 0.000 0.492 162 L N -0.707 120.248 121.223 -0.447 0.000 2.201 162 L HA 0.133 4.473 4.340 -0.000 0.000 0.212 162 L C -0.310 175.926 176.870 -1.058 0.000 1.105 162 L CA 1.255 55.540 54.840 -0.924 0.000 0.775 162 L CB -0.317 40.819 42.059 -1.539 0.000 0.913 162 L HN 0.224 nan 8.230 nan 0.000 0.440 163 F N -2.688 117.187 119.950 -0.125 0.000 2.675 163 F HA 0.637 5.164 4.527 -0.000 0.000 0.324 163 F C 0.060 175.823 175.800 -0.062 0.000 1.106 163 F CA -1.012 56.933 58.000 -0.092 0.000 0.970 163 F CB 1.405 40.346 39.000 -0.099 0.000 1.385 163 F HN -0.491 nan 8.300 nan 0.000 0.489 164 T N 0.428 115.089 114.554 0.179 0.000 2.816 164 T HA 0.743 5.093 4.350 -0.000 0.000 0.299 164 T C -1.943 172.794 174.700 0.061 0.000 1.230 164 T CA -0.531 61.620 62.100 0.087 0.000 1.007 164 T CB 1.707 70.603 68.868 0.046 0.000 1.289 164 T HN 0.708 nan 8.240 nan 0.000 0.508 165 I N 2.507 123.098 120.570 0.036 0.000 2.647 165 I HA 0.484 4.654 4.170 -0.000 0.000 0.295 165 I C -0.668 175.464 176.117 0.024 0.000 1.078 165 I CA -0.961 60.344 61.300 0.009 0.000 1.048 165 I CB 1.951 39.950 38.000 -0.002 0.000 1.239 165 I HN 0.563 nan 8.210 nan 0.000 0.421 166 N N 6.471 125.176 118.700 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 0.911 39.404 38.487 0.010 0.000 1.111 166 N HN 0.715 nan 8.380 nan 0.000 0.485 167 R N 3.194 123.756 120.500 0.104 0.000 2.117 167 R HA -0.196 4.144 4.340 -0.000 0.000 0.243 167 R C 1.498 177.927 176.300 0.215 0.000 1.143 167 R CA 1.778 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 -0.883 119.409 120.200 0.153 0.000 2.060 168 E HA -0.110 4.240 4.350 -0.000 0.000 0.189 168 E C 1.570 178.319 176.600 0.248 0.000 0.974 168 E CA 1.585 58.072 56.400 0.145 0.000 0.808 168 E CB 0.124 29.865 29.700 0.070 0.000 0.768 168 E HN 0.513 nan 8.360 nan 0.000 0.453 169 T N -3.497 111.147 114.554 0.150 0.000 3.051 169 T HA 0.219 4.569 4.350 -0.000 0.000 0.255 169 T C 1.500 176.092 174.700 -0.181 0.000 1.085 169 T CA 0.665 62.796 62.100 0.052 0.000 1.109 169 T CB 0.453 69.319 68.868 -0.004 0.000 0.921 169 T HN 0.339 nan 8.240 nan 0.000 0.488 170 G N 1.018 109.654 108.800 -0.274 0.000 2.148 170 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.254 170 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.254 170 G C 0.028 174.688 174.900 -0.400 0.000 0.981 170 G CA 0.015 44.662 45.100 -0.755 0.000 0.670 170 G HN 0.772 nan 8.290 nan 0.000 0.528 171 V N 1.091 120.882 119.914 -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 61.802 62.300 -0.139 0.000 1.023 171 V CB 1.626 33.402 31.823 -0.078 0.000 0.992 171 V HN 0.305 nan 8.190 nan 0.000 0.480 172 I N 2.425 122.939 120.570 -0.093 0.000 2.562 172 I HA 0.581 4.751 4.170 -0.000 0.000 0.301 172 I C 0.161 176.278 176.117 -0.000 0.000 1.003 172 I CA 0.015 61.282 61.300 -0.056 0.000 1.127 172 I CB 2.034 39.962 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 2.166 65.390 63.200 0.041 0.000 1.108 173 S HN 0.413 nan 8.310 nan 0.000 0.477 174 L N 2.746 124.041 121.223 0.121 0.000 2.360 174 L HA 0.483 4.823 4.340 -0.000 0.000 0.276 174 L C 0.331 177.167 176.870 -0.057 0.000 1.121 174 L CA 0.618 55.468 54.840 0.016 0.000 0.845 174 L CB 0.057 42.103 42.059 -0.022 0.000 1.143 174 L HN 0.855 nan 8.230 nan 0.000 0.452 175 I N 2.695 123.183 120.570 -0.137 0.000 3.300 175 I HA 0.306 4.476 4.170 -0.000 0.000 0.279 175 I C 1.251 177.286 176.117 -0.136 0.000 1.172 175 I CA 0.489 61.726 61.300 -0.105 0.000 1.431 175 I CB 0.355 38.307 38.000 -0.080 0.000 1.240 175 I HN 0.771 nan 8.210 nan 0.000 0.453 176 G N 0.053 108.721 108.800 -0.218 0.000 2.543 176 G HA2 0.468 4.428 3.960 -0.000 0.000 0.267 176 G HA3 0.468 4.428 3.960 -0.000 0.000 0.267 176 G C -0.711 174.085 174.900 -0.174 0.000 1.406 176 G CA 0.374 45.358 45.100 -0.193 0.000 1.048 176 G HN 0.257 nan 8.290 nan 0.000 0.548 177 T N -4.918 109.547 114.554 -0.148 0.000 3.032 177 T HA 0.581 4.931 4.350 -0.000 0.000 0.312 177 T C 0.077 174.722 174.700 -0.093 0.000 1.078 177 T CA 0.323 62.359 62.100 -0.107 0.000 1.028 177 T CB 1.636 70.464 68.868 -0.066 0.000 1.091 177 T HN 2.100 nan 8.240 nan 0.000 0.457 178 G N 2.076 110.836 108.800 -0.067 0.000 2.731 178 G HA2 0.027 3.987 3.960 -0.000 0.000 0.219 178 G HA3 0.027 3.987 3.960 -0.000 0.000 0.219 178 G C -0.218 174.689 174.900 0.011 0.000 0.989 178 G CA -0.773 44.309 45.100 -0.030 0.000 0.871 178 G HN 0.892 nan 8.290 nan 0.000 0.591 179 L N 1.605 122.832 121.223 0.008 0.000 2.462 179 L HA 0.485 4.825 4.340 -0.000 0.000 0.272 179 L C -0.284 176.666 176.870 0.133 0.000 1.166 179 L CA 0.160 55.047 54.840 0.078 0.000 0.880 179 L CB 0.913 43.002 42.059 0.049 0.000 1.142 179 L HN 0.164 nan 8.230 nan 0.000 0.473 180 D N 2.500 123.032 120.400 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 1.523 42.439 40.800 0.195 0.000 1.462 180 D HN 0.366 nan 8.370 nan 0.000 0.559 181 R N 2.468 123.044 120.500 0.126 0.000 2.075 181 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 181 R C 0.769 177.098 176.300 0.047 0.000 1.126 181 R CA 1.457 57.614 56.100 0.095 0.000 0.963 181 R CB 0.244 30.586 30.300 0.070 0.000 0.858 181 R HN 0.408 nan 8.270 nan 0.000 0.435 182 E N 0.167 120.388 120.200 0.035 0.000 2.209 182 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 182 E C 1.662 178.211 176.600 -0.085 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 0.336 nan 8.360 nan 0.000 0.477 183 K N -1.142 119.184 120.400 -0.124 0.000 2.344 183 K HA 0.195 4.515 4.320 -0.000 0.000 0.200 183 K C -0.383 175.773 176.600 -0.741 0.000 1.132 183 K CA 0.236 56.243 56.287 -0.467 0.000 0.935 183 K CB 0.684 32.828 32.500 -0.593 0.000 1.089 183 K HN -0.003 nan 8.250 nan 0.000 0.496 184 F N 1.535 121.480 119.950 -0.008 0.000 2.771 184 F HA 0.263 4.790 4.527 -0.000 0.000 0.365 184 F C -2.093 173.677 175.800 -0.051 0.000 1.169 184 F CA -1.723 56.228 58.000 -0.082 0.000 1.093 184 F CB 1.829 40.770 39.000 -0.098 0.000 1.363 184 F HN -0.093 nan 8.300 nan 0.000 0.496 185 P HA -0.018 nan 4.420 nan 0.000 0.239 185 P C -0.174 177.173 177.300 0.078 0.000 1.188 185 P CA 0.725 63.874 63.100 0.081 0.000 0.794 185 P CB 1.237 32.956 31.700 0.032 0.000 0.937 186 E N -0.257 119.923 120.200 -0.033 0.000 2.317 186 E HA 0.269 4.619 4.350 -0.000 0.000 0.270 186 E C -1.377 175.165 176.600 -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 1.269 121.619 120.300 0.084 0.000 2.320 187 Y HA 0.367 4.917 4.550 -0.000 0.000 0.324 187 Y C 0.413 176.319 175.900 0.009 0.000 1.190 187 Y CA -0.320 57.824 58.100 0.073 0.000 1.215 187 Y CB 2.010 40.553 38.460 0.140 0.000 1.221 187 Y HN 0.243 nan 8.280 nan 0.000 0.486 188 T N 4.826 119.469 114.554 0.150 0.000 2.892 188 T HA 0.558 4.908 4.350 -0.000 0.000 0.311 188 T C -0.820 173.915 174.700 0.058 0.000 1.033 188 T CA -0.762 61.376 62.100 0.063 0.000 0.991 188 T CB -0.194 68.692 68.868 0.031 0.000 0.981 188 T HN 0.490 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 -0.241 176.610 176.870 -0.033 0.000 1.013 189 L CA -1.011 53.827 54.840 -0.004 0.000 0.816 189 L CB 1.416 43.449 42.059 -0.043 0.000 1.278 189 L HN 0.267 nan 8.230 nan 0.000 0.431 190 T N 2.350 116.895 114.554 -0.015 0.000 2.767 190 T HA 0.533 4.883 4.350 -0.000 0.000 0.288 190 T C 0.105 174.797 174.700 -0.014 0.000 0.963 190 T CA -0.532 61.552 62.100 -0.027 0.000 1.019 190 T CB 1.591 70.457 68.868 -0.005 0.000 0.923 190 T HN 0.607 nan 8.240 nan 0.000 0.468 191 V N 1.537 121.428 119.914 -0.037 0.000 2.994 191 V HA 0.785 4.905 4.120 -0.000 0.000 0.318 191 V C -0.686 175.523 176.094 0.191 0.000 1.085 191 V CA -0.971 61.361 62.300 0.054 0.000 0.998 191 V CB 1.963 33.812 31.823 0.045 0.000 1.063 191 V HN 0.869 nan 8.190 nan 0.000 0.447 192 Q N 1.177 121.155 119.800 0.297 0.000 2.379 192 Q HA 0.778 5.118 4.340 -0.000 0.000 0.278 192 Q C -1.416 174.726 176.000 0.237 0.000 1.068 192 Q CA -0.667 55.331 55.803 0.324 0.000 0.816 192 Q CB 2.482 31.316 28.738 0.159 0.000 1.387 192 Q HN 1.374 nan 8.270 nan 0.000 0.413 193 A N 1.777 124.640 122.820 0.072 0.000 2.386 193 A HA 0.866 5.186 4.320 -0.000 0.000 0.311 193 A C -1.066 176.419 177.584 -0.165 0.000 1.068 193 A CA -0.382 51.550 52.037 -0.176 0.000 0.743 193 A CB 2.147 20.877 19.000 -0.449 0.000 1.258 193 A HN 0.634 nan 8.150 nan 0.000 0.429 194 T N 0.933 115.367 114.554 -0.200 0.000 2.906 194 T HA 0.420 4.770 4.350 -0.000 0.000 0.295 194 T C -0.966 173.648 174.700 -0.143 0.000 1.061 194 T CA -0.463 61.556 62.100 -0.135 0.000 1.000 194 T CB 1.463 70.283 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 0.189 4.829 4.640 -0.000 0.000 0.238 195 D C 0.962 177.219 176.300 -0.071 0.000 1.157 195 D CA 0.078 54.029 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 1.672 122.856 121.223 -0.064 0.000 3.660 196 L HA -0.289 4.051 4.340 -0.000 0.000 0.440 196 L C -0.108 176.728 176.870 -0.056 0.000 1.262 196 L CA 0.295 55.105 54.840 -0.051 0.000 0.837 196 L CB -2.046 39.991 42.059 -0.036 0.000 1.689 196 L HN 0.661 nan 8.230 nan 0.000 0.890 197 E N -1.555 118.599 120.200 -0.077 0.000 2.302 197 E HA -0.198 4.152 4.350 -0.000 0.000 0.186 197 E C 1.323 177.883 176.600 -0.065 0.000 1.444 197 E CA 0.651 57.005 56.400 -0.076 0.000 0.671 197 E CB -1.529 28.141 29.700 -0.050 0.000 1.122 197 E HN 1.017 nan 8.360 nan 0.000 0.366 198 G N -0.416 108.335 108.800 -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 0.888 45.952 45.100 -0.059 0.000 0.644 198 G HN 0.948 nan 8.290 nan 0.000 0.537 199 A N -0.240 122.557 122.820 -0.040 0.000 1.924 199 A HA 0.599 4.919 4.320 -0.000 0.000 0.211 199 A C 2.335 179.904 177.584 -0.025 0.000 1.198 199 A CA 1.730 53.751 52.037 -0.027 0.000 0.657 199 A CB -0.639 18.346 19.000 -0.024 0.000 0.852 199 A HN 1.520 nan 8.150 nan 0.000 0.454 200 G N 0.012 108.792 108.800 -0.032 0.000 2.830 200 G HA2 0.353 4.313 3.960 -0.000 0.000 0.172 200 G HA3 0.353 4.313 3.960 -0.000 0.000 0.172 200 G C 0.369 175.256 174.900 -0.023 0.000 1.782 200 G CA 0.119 45.203 45.100 -0.027 0.000 0.900 200 G HN 0.354 nan 8.290 nan 0.000 0.389 201 L N 0.203 121.410 121.223 -0.027 0.000 2.352 201 L HA 0.589 4.929 4.340 -0.000 0.000 0.269 201 L C -0.035 176.820 176.870 -0.024 0.000 1.034 201 L CA -0.695 54.134 54.840 -0.018 0.000 0.806 201 L CB 2.110 44.161 42.059 -0.014 0.000 1.244 201 L HN 0.481 nan 8.230 nan 0.000 0.447 202 S N 0.064 115.761 115.700 -0.005 0.000 2.632 202 S HA 0.913 5.383 4.470 -0.000 0.000 0.289 202 S C -0.594 174.032 174.600 0.044 0.000 1.115 202 S CA -0.757 57.446 58.200 0.006 0.000 0.889 202 S CB 2.213 65.424 63.200 0.018 0.000 1.116 202 S HN 0.600 nan 8.310 nan 0.000 0.486 203 V N -2.069 117.900 119.914 0.092 0.000 3.202 203 V HA 0.901 5.021 4.120 -0.000 0.000 0.306 203 V C -1.920 174.387 176.094 0.354 0.000 1.283 203 V CA -1.179 61.233 62.300 0.188 0.000 1.065 203 V CB 1.444 33.385 31.823 0.197 0.000 1.079 203 V HN 0.919 nan 8.190 nan 0.000 0.448 204 E N 0.031 120.440 120.200 0.348 0.000 2.299 204 E HA 0.888 5.238 4.350 -0.000 0.000 0.265 204 E C 0.033 176.533 176.600 -0.167 0.000 0.911 204 E CA 0.014 56.536 56.400 0.203 0.000 0.789 204 E CB 2.026 31.761 29.700 0.059 0.000 1.246 204 E HN 1.213 nan 8.360 nan 0.000 0.427 205 G N 0.251 108.687 108.800 -0.607 0.000 3.135 205 G HA2 0.759 4.719 3.960 -0.000 0.000 0.278 205 G HA3 0.759 4.719 3.960 -0.000 0.000 0.278 205 G C -1.232 173.445 174.900 -0.371 0.000 1.302 205 G CA -0.760 43.799 45.100 -0.902 0.000 0.880 205 G HN 0.244 nan 8.290 nan 0.000 0.574 206 K N -0.937 119.311 120.400 -0.254 0.000 2.575 206 K HA 0.585 4.905 4.320 -0.000 0.000 0.255 206 K C -1.410 175.175 176.600 -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 4.034 126.827 122.820 -0.045 0.000 2.371 207 A HA 0.796 5.116 4.320 -0.000 0.000 0.311 207 A C -1.039 176.524 177.584 -0.035 0.000 1.068 207 A CA -0.666 51.360 52.037 -0.018 0.000 0.744 207 A CB 0.723 19.661 19.000 -0.104 0.000 1.239 207 A HN 0.640 nan 8.150 nan 0.000 0.435 208 I N 2.712 123.276 120.570 -0.010 0.000 2.466 208 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 208 I C -1.049 175.067 176.117 -0.001 0.000 1.026 208 I CA -0.372 60.926 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 5.711 126.289 120.570 0.014 0.000 2.378 209 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 209 I C -0.132 176.054 176.117 0.114 0.000 0.992 209 I CA -0.559 60.762 61.300 0.035 0.000 1.154 209 I CB 1.504 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 6.063 125.914 119.800 0.086 0.000 2.214 210 Q HA 0.570 4.910 4.340 -0.000 0.000 0.251 210 Q C -1.044 175.026 176.000 0.118 0.000 0.936 210 Q CA -0.711 55.149 55.803 0.094 0.000 0.894 210 Q CB 2.236 31.006 28.738 0.053 0.000 1.252 210 Q HN 0.601 nan 8.270 nan 0.000 0.448 211 I N 2.803 123.452 120.570 0.132 0.000 2.328 211 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 211 I C 0.579 176.750 176.117 0.091 0.000 1.012 211 I CA -0.416 60.966 61.300 0.136 0.000 1.195 211 I CB 1.616 39.732 38.000 0.194 0.000 1.350 211 I HN 0.500 nan 8.210 nan 0.000 0.464 212 T N 4.282 118.880 114.554 0.073 0.000 2.595 212 T HA -0.084 4.266 4.350 -0.000 0.000 0.339 212 T C 0.068 174.802 174.700 0.056 0.000 1.059 212 T CA 0.096 62.228 62.100 0.054 0.000 1.035 212 T CB 0.487 69.382 68.868 0.046 0.000 1.003 212 T HN 0.562 nan 8.240 nan 0.000 0.540 213 D N -0.655 119.773 120.400 0.046 0.000 2.272 213 D HA 0.581 5.221 4.640 -0.000 0.000 0.247 213 D C -0.864 175.468 176.300 0.054 0.000 0.990 213 D CA -0.508 53.522 54.000 0.049 0.000 0.931 213 D CB 1.789 42.614 40.800 0.040 0.000 1.195 213 D HN 0.627 nan 8.370 nan 0.000 0.477 214 A N 1.878 124.735 122.820 0.061 0.000 2.515 214 A HA 0.327 4.647 4.320 -0.000 0.000 0.296 214 A C -0.297 177.335 177.584 0.080 0.000 1.094 214 A CA -0.718 51.358 52.037 0.066 0.000 0.718 214 A CB 1.317 20.355 19.000 0.063 0.000 1.307 214 A HN 0.517 nan 8.150 nan 0.000 0.408 215 N N 0.614 119.372 118.700 0.097 0.000 3.111 215 N HA 0.120 4.860 4.740 -0.000 0.000 0.302 215 N C -0.048 175.538 175.510 0.128 0.000 1.317 215 N CA 0.234 53.367 53.050 0.138 0.000 1.151 215 N CB -0.225 38.371 38.487 0.182 0.000 1.456 215 N HN 0.583 nan 8.380 nan 0.000 0.547 216 D N -1.377 119.072 120.400 0.081 0.000 2.178 216 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 216 D C -0.006 176.302 176.300 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 0.243 118.959 118.700 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 -0.577 52.463 53.050 -0.016 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 1.472 124.206 122.820 -0.144 0.000 2.281 218 A HA 0.690 5.010 4.320 -0.000 0.000 0.329 218 A C -2.489 175.029 177.584 -0.111 0.000 1.122 218 A CA -1.508 50.408 52.037 -0.200 0.000 0.850 218 A CB 0.484 19.280 19.000 -0.339 0.000 1.207 218 A HN 0.393 nan 8.150 nan 0.000 0.495 219 P HA 0.521 nan 4.420 nan 0.000 0.284 219 P C -1.071 176.110 177.300 -0.199 0.000 1.253 219 P CA 0.045 63.031 63.100 -0.190 0.000 0.800 219 P CB 0.765 32.301 31.700 -0.273 0.000 0.961 220 I N 3.218 123.672 120.570 -0.194 0.000 2.447 220 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 220 I C -0.290 175.755 176.117 -0.120 0.000 1.023 220 I CA -0.909 60.326 61.300 -0.109 0.000 1.083 220 I CB 1.142 39.129 38.000 -0.022 0.000 1.245 220 I HN 0.223 nan 8.210 nan 0.000 0.434 221 F N 5.030 125.007 119.950 0.046 0.000 2.571 221 F HA -0.067 4.460 4.527 -0.000 0.000 0.390 221 F C 1.641 177.481 175.800 0.067 0.000 1.043 221 F CA 0.400 58.451 58.000 0.085 0.000 1.164 221 F CB 0.190 39.262 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 -1.850 174.483 176.300 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 0.021 177.313 177.300 -0.012 0.000 1.303 223 P CA -0.414 62.558 63.100 -0.213 0.000 0.972 223 P CB 2.219 33.373 31.700 -0.911 0.000 1.377 224 K N -0.768 119.594 120.400 -0.064 0.000 2.399 224 K HA 0.208 4.528 4.320 -0.000 0.000 0.196 224 K C -0.307 176.260 176.600 -0.056 0.000 1.117 224 K CA 0.733 56.993 56.287 -0.044 0.000 0.965 224 K CB 0.384 32.869 32.500 -0.026 0.000 0.983 224 K HN 0.506 nan 8.250 nan 0.000 0.531 225 T N -1.055 113.473 114.554 -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 0.027 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 1.095 176.961 175.900 -0.056 0.000 1.168 226 Y CA -0.967 57.094 58.100 -0.065 0.000 1.269 226 Y CB 2.277 40.692 38.460 -0.075 0.000 1.388 226 Y HN 0.902 nan 8.280 nan 0.000 0.528 227 T N -1.153 113.497 114.554 0.159 0.000 2.932 227 T HA 0.860 5.210 4.350 -0.000 0.000 0.318 227 T C -1.292 173.444 174.700 0.059 0.000 1.265 227 T CA -0.733 61.411 62.100 0.073 0.000 1.036 227 T CB 1.579 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 1.877 124.718 122.820 0.035 0.000 2.612 228 A HA 0.816 5.136 4.320 -0.000 0.000 0.293 228 A C -1.643 175.967 177.584 0.042 0.000 1.075 228 A CA -1.018 51.038 52.037 0.032 0.000 0.680 228 A CB 1.312 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 0.864 5.204 4.340 -0.000 0.000 0.270 229 L C -0.384 176.547 176.870 0.103 0.000 1.018 229 L CA -1.028 53.851 54.840 0.065 0.000 0.811 229 L CB 1.944 44.034 42.059 0.051 0.000 1.271 229 L HN 0.919 nan 8.230 nan 0.000 0.443 230 V N -0.350 119.608 119.914 0.073 0.000 3.120 230 V HA 0.656 4.776 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 -2.014 60.337 62.300 0.084 0.000 1.008 230 V CB 2.274 34.163 31.823 0.109 0.000 1.064 230 V HN 0.445 nan 8.190 nan 0.000 0.434 231 P HA 0.497 nan 4.420 nan 0.000 0.296 231 P C 0.457 177.637 177.300 -0.199 0.000 1.301 231 P CA -0.276 62.719 63.100 -0.175 0.000 0.862 231 P CB 1.912 33.464 31.700 -0.247 0.000 1.046 232 E N 1.919 122.001 120.200 -0.197 0.000 2.033 232 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 232 E C 0.078 176.573 176.600 -0.174 0.000 1.011 232 E CA 1.448 57.716 56.400 -0.219 0.000 0.815 232 E CB -0.012 29.590 29.700 -0.163 0.000 0.755 232 E HN 0.369 nan 8.360 nan 0.000 0.451 233 N N -0.503 118.113 118.700 -0.141 0.000 2.675 233 N HA 0.065 4.805 4.740 -0.000 0.000 0.254 233 N C -0.579 174.868 175.510 -0.105 0.000 1.224 233 N CA -0.056 52.928 53.050 -0.111 0.000 0.777 233 N CB 0.906 39.347 38.487 -0.076 0.000 1.256 233 N HN -0.014 nan 8.380 nan 0.000 0.531 234 E N 1.271 121.403 120.200 -0.115 0.000 2.940 234 E HA 0.137 4.487 4.350 -0.000 0.000 0.203 234 E C 0.572 177.130 176.600 -0.070 0.000 0.995 234 E CA -0.191 56.150 56.400 -0.097 0.000 1.396 234 E CB 0.766 30.387 29.700 -0.131 0.000 1.310 234 E HN 0.592 nan 8.360 nan 0.000 0.613 235 I N 0.778 121.298 120.570 -0.082 0.000 3.276 235 I HA -0.088 4.082 4.170 -0.000 0.000 0.341 235 I C -0.023 176.095 176.117 0.001 0.000 1.151 235 I CA 1.344 62.622 61.300 -0.038 0.000 1.496 235 I CB 0.210 38.171 38.000 -0.065 0.000 1.264 235 I HN 0.161 nan 8.210 nan 0.000 0.525 236 G N 6.837 115.675 108.800 0.063 0.000 1.974 236 G HA2 0.469 4.429 3.960 -0.000 0.000 0.303 236 G HA3 0.469 4.429 3.960 -0.000 0.000 0.303 236 G C -1.327 173.679 174.900 0.175 0.000 2.080 236 G CA -0.249 44.892 45.100 0.070 0.000 0.896 236 G HN 1.201 nan 8.290 nan 0.000 0.514 237 F N 1.277 121.205 119.950 -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 3.924 123.662 120.200 -0.771 0.000 2.463 238 E HA 0.096 4.446 4.350 -0.000 0.000 0.248 238 E C 0.240 176.186 176.600 -1.090 0.000 1.106 238 E CA -0.005 55.941 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 3.973 123.517 119.914 -0.616 0.000 2.256 239 V HA -0.048 4.072 4.120 -0.000 0.000 0.240 239 V C 0.319 176.257 176.094 -0.260 0.000 1.036 239 V CA 1.843 63.903 62.300 -0.400 0.000 1.008 239 V CB 0.214 31.915 31.823 -0.204 0.000 0.648 239 V HN 0.820 nan 8.190 nan 0.000 0.453 240 Q N -0.670 118.990 119.800 -0.234 0.000 2.435 240 Q HA 0.471 4.811 4.340 -0.000 0.000 0.282 240 Q C -0.982 174.891 176.000 -0.212 0.000 1.020 240 Q CA -0.618 55.080 55.803 -0.176 0.000 0.820 240 Q CB 1.745 30.392 28.738 -0.151 0.000 1.436 240 Q HN 0.482 nan 8.270 nan 0.000 0.395 241 R N 1.361 121.775 120.500 -0.143 0.000 2.720 241 R HA 0.745 5.085 4.340 -0.000 0.000 0.272 241 R C -0.940 175.279 176.300 -0.136 0.000 0.991 241 R CA -0.737 55.279 56.100 -0.140 0.000 1.010 241 R CB 1.071 31.334 30.300 -0.061 0.000 1.141 241 R HN 0.547 nan 8.270 nan 0.000 0.494 242 L N 0.027 121.158 121.223 -0.153 0.000 2.354 242 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 242 L C -0.490 176.463 176.870 0.137 0.000 1.008 242 L CA -0.460 54.361 54.840 -0.032 0.000 0.819 242 L CB 2.300 44.209 42.059 -0.250 0.000 1.339 242 L HN 0.532 nan 8.230 nan 0.000 0.420 243 S N 0.667 116.548 115.700 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 -1.062 118.849 119.914 -0.006 0.000 3.258 244 V HA 0.950 5.070 4.120 -0.000 0.000 0.299 244 V C -1.198 174.823 176.094 -0.122 0.000 1.376 244 V CA -0.969 61.253 62.300 -0.130 0.000 1.063 244 V CB 1.696 33.319 31.823 -0.333 0.000 1.103 244 V HN 0.987 nan 8.190 nan 0.000 0.451 245 T N -1.045 113.431 114.554 -0.130 0.000 3.176 245 T HA 0.440 4.790 4.350 -0.000 0.000 0.337 245 T C -0.992 173.665 174.700 -0.072 0.000 0.957 245 T CA -0.300 61.757 62.100 -0.071 0.000 1.092 245 T CB 0.741 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 2.121 122.451 120.400 -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 1.986 123.282 121.223 0.123 0.000 2.766 247 L HA 0.174 4.514 4.340 -0.000 0.000 0.242 247 L C 0.836 177.789 176.870 0.137 0.000 1.136 247 L CA -0.121 54.799 54.840 0.134 0.000 0.933 247 L CB 0.018 42.115 42.059 0.063 0.000 1.241 247 L HN 0.275 nan 8.230 nan 0.000 0.522 248 D N -0.417 120.085 120.400 0.171 0.000 2.289 248 D HA 0.040 4.680 4.640 -0.000 0.000 0.266 248 D C 0.393 176.759 176.300 0.109 0.000 1.243 248 D CA -0.268 53.809 54.000 0.129 0.000 1.019 248 D CB 0.380 41.260 40.800 0.134 0.000 1.126 248 D HN -0.054 nan 8.370 nan 0.000 0.541 249 M N 1.125 120.754 119.600 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 -1.225 54.037 55.300 -0.062 0.000 1.161 249 M CB 1.209 33.784 32.600 -0.041 0.000 1.737 249 M HN -0.037 nan 8.290 nan 0.000 0.464 250 P HA -0.252 nan 4.420 nan 0.000 0.216 250 P C 0.920 177.764 177.300 -0.761 0.000 1.062 250 P CA 2.406 64.729 63.100 -1.295 0.000 0.995 250 P CB -0.169 30.927 31.700 -1.008 0.000 0.762 251 G N -2.431 106.136 108.800 -0.388 0.000 2.708 251 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.210 251 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.210 251 G C 0.170 175.067 174.900 -0.006 0.000 1.141 251 G CA 0.490 45.497 45.100 -0.154 0.000 0.788 251 G HN 0.302 nan 8.290 nan 0.000 0.531 252 T N 0.790 115.359 114.554 0.024 0.000 2.907 252 T HA 0.342 4.692 4.350 -0.000 0.000 0.284 252 T C -1.845 172.957 174.700 0.171 0.000 1.004 252 T CA -1.179 60.974 62.100 0.088 0.000 1.063 252 T CB 2.155 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 0.065 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 0.327 63.472 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 -3.619 119.276 122.820 0.125 0.000 2.465 254 A HA 0.195 4.515 4.320 -0.000 0.000 0.255 254 A C 1.111 178.825 177.584 0.217 0.000 1.274 254 A CA -0.270 51.847 52.037 0.134 0.000 0.920 254 A CB -0.803 18.273 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 0.170 176.673 176.519 -0.027 0.000 0.903 255 W CA 0.121 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 -0.197 0.000 0.927 256 Q CA 0.026 55.781 55.803 -0.081 0.000 0.939 256 Q CB 1.581 30.338 28.738 0.032 0.000 1.201 256 Q HN 0.117 nan 8.270 nan 0.000 0.426 257 A N 3.496 126.137 122.820 -0.299 0.000 2.316 257 A HA 0.577 4.897 4.320 -0.000 0.000 0.284 257 A C -0.697 176.660 177.584 -0.377 0.000 1.115 257 A CA -0.442 51.347 52.037 -0.414 0.000 0.812 257 A CB 0.940 19.619 19.000 -0.533 0.000 1.064 257 A HN 0.510 nan 8.150 nan 0.000 0.489 258 V N 2.463 122.084 119.914 -0.488 0.000 2.638 258 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 258 V C -0.985 174.857 176.094 -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 32.837 31.823 -0.161 0.000 0.999 258 V HN 0.911 nan 8.190 nan 0.000 0.424 259 Y N 3.051 123.346 120.300 -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 39.772 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 55.662 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 -0.239 120.375 120.570 0.074 0.000 2.834 261 I HA 0.336 4.506 4.170 -0.000 0.000 0.305 261 I C 0.881 177.032 176.117 0.056 0.000 1.008 261 I CA -0.672 60.657 61.300 0.048 0.000 1.273 261 I CB 1.062 39.087 38.000 0.042 0.000 1.432 261 I HN 0.753 nan 8.210 nan 0.000 0.557 262 R N 2.831 123.358 120.500 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 57.061 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 2.432 122.383 119.914 0.062 0.000 2.483 263 V HA 0.218 4.338 4.120 -0.000 0.000 0.297 263 V C -0.542 175.626 176.094 0.123 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 3.064 121.837 118.700 0.122 0.000 2.801 264 N HA 0.143 4.883 4.740 -0.000 0.000 0.235 264 N C 0.982 176.572 175.510 0.133 0.000 1.069 264 N CA -0.117 53.045 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 2.612 122.982 120.200 0.284 0.000 2.160 265 E HA -0.219 4.131 4.350 -0.000 0.000 0.237 265 E C 1.177 177.688 176.600 -0.150 0.000 1.069 265 E CA 2.468 59.018 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 0.611 174.807 174.900 -1.174 0.000 1.060 266 G CA 0.214 44.457 45.100 -1.429 0.000 0.793 266 G HN 0.803 nan 8.290 nan 0.000 0.532 267 G N 0.801 109.195 108.800 -0.677 0.000 2.295 267 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.287 267 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.287 267 G C 0.319 175.093 174.900 -0.210 0.000 1.055 267 G CA 0.346 45.291 45.100 -0.259 0.000 0.922 267 G HN 0.943 nan 8.290 nan 0.000 0.503 268 F N -1.764 118.095 119.950 -0.151 0.000 2.983 268 F HA 0.731 5.258 4.527 -0.000 0.000 0.307 268 F C 0.019 175.301 175.800 -0.864 0.000 1.218 268 F CA -1.450 56.287 58.000 -0.437 0.000 1.323 268 F CB 0.175 38.873 39.000 -0.503 0.000 0.989 268 F HN -0.036 nan 8.300 nan 0.000 0.509 269 F N 0.760 120.816 119.950 0.176 0.000 2.615 269 F HA 0.404 4.931 4.527 -0.000 0.000 0.312 269 F C -0.774 175.044 175.800 0.031 0.000 1.119 269 F CA -1.220 56.820 58.000 0.068 0.000 0.979 269 F CB 1.913 40.940 39.000 0.046 0.000 1.266 269 F HN -0.048 nan 8.300 nan 0.000 0.444 270 N N 2.343 121.169 118.700 0.210 0.000 2.229 270 N HA 0.702 5.442 4.740 -0.000 0.000 0.298 270 N C -1.924 173.626 175.510 0.066 0.000 1.114 270 N CA -0.538 52.577 53.050 0.109 0.000 0.776 270 N CB 2.364 40.888 38.487 0.061 0.000 1.501 270 N HN 0.726 nan 8.380 nan 0.000 0.474 271 I N 1.265 121.856 120.570 0.034 0.000 2.571 271 I HA 0.465 4.635 4.170 -0.000 0.000 0.289 271 I C -0.947 175.172 176.117 0.004 0.000 1.115 271 I CA -0.203 61.085 61.300 -0.020 0.000 1.045 271 I CB 1.789 39.749 38.000 -0.067 0.000 1.238 271 I HN 0.460 nan 8.210 nan 0.000 0.424 272 T N 3.990 118.534 114.554 -0.017 0.000 2.919 272 T HA 0.600 4.950 4.350 -0.000 0.000 0.282 272 T C -0.472 174.248 174.700 0.033 0.000 1.020 272 T CA -0.515 61.598 62.100 0.021 0.000 0.994 272 T CB 1.807 70.681 68.868 0.010 0.000 1.180 272 T HN 0.606 nan 8.240 nan 0.000 0.566 273 T N 1.151 115.752 114.554 0.078 0.000 2.932 273 T HA 0.683 5.033 4.350 -0.000 0.000 0.289 273 T C -1.247 173.486 174.700 0.055 0.000 1.039 273 T CA -0.793 61.376 62.100 0.115 0.000 1.024 273 T CB 1.676 70.636 68.868 0.153 0.000 1.090 273 T HN 0.632 nan 8.240 nan 0.000 0.496 274 D N 0.708 121.136 120.400 0.047 0.000 2.936 274 D HA 0.379 5.019 4.640 -0.000 0.000 0.238 274 D C -2.764 173.568 176.300 0.053 0.000 1.248 274 D CA -2.278 51.745 54.000 0.038 0.000 0.903 274 D CB 2.058 42.872 40.800 0.024 0.000 1.544 274 D HN 0.035 nan 8.370 nan 0.000 0.543 275 P HA 0.085 nan 4.420 nan 0.000 0.238 275 P C -0.178 177.209 177.300 0.145 0.000 1.649 275 P CA 0.440 63.620 63.100 0.134 0.000 0.960 275 P CB -0.046 31.727 31.700 0.121 0.000 1.911 276 E N -1.837 118.440 120.200 0.128 0.000 2.357 276 E HA 0.148 4.498 4.350 -0.000 0.000 0.190 276 E C 0.583 177.295 176.600 0.187 0.000 1.022 276 E CA -0.096 56.378 56.400 0.123 0.000 1.068 276 E CB -0.302 29.441 29.700 0.072 0.000 1.465 276 E HN -0.087 nan 8.360 nan 0.000 0.503 277 S N 0.706 116.478 115.700 0.120 0.000 2.901 277 S HA 0.139 4.609 4.470 -0.000 0.000 0.248 277 S C -0.623 173.936 174.600 -0.069 0.000 1.021 277 S CA 0.063 58.331 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 0.509 nan 8.310 nan 0.000 0.514 278 N N 1.347 120.003 118.700 -0.074 0.000 2.745 278 N HA -0.247 4.493 4.740 -0.000 0.000 0.271 278 N C -0.123 175.359 175.510 -0.048 0.000 0.960 278 N CA 0.418 53.401 53.050 -0.111 0.000 0.833 278 N CB -0.918 37.394 38.487 -0.292 0.000 0.919 278 N HN 0.586 nan 8.380 nan 0.000 0.566 279 Q N -0.032 119.765 119.800 -0.005 0.000 2.443 279 Q HA 0.235 4.575 4.340 -0.000 0.000 0.232 279 Q C 0.784 176.769 176.000 -0.025 0.000 1.026 279 Q CA 0.164 55.969 55.803 0.003 0.000 0.924 279 Q CB 0.801 29.536 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 3.914 124.327 120.570 -0.262 0.000 2.330 281 I HA 0.407 4.577 4.170 -0.000 0.000 0.286 281 I C -0.327 175.672 176.117 -0.196 0.000 1.025 281 I CA -0.832 60.352 61.300 -0.193 0.000 1.197 281 I CB 0.691 38.623 38.000 -0.114 0.000 1.358 281 I HN 0.250 nan 8.210 nan 0.000 0.467 282 L N 7.976 129.063 121.223 -0.227 0.000 2.343 282 L HA 0.652 4.992 4.340 -0.000 0.000 0.275 282 L C -0.192 176.590 176.870 -0.147 0.000 1.056 282 L CA -0.061 54.666 54.840 -0.188 0.000 0.804 282 L CB 1.636 43.544 42.059 -0.251 0.000 1.203 282 L HN 0.709 nan 8.230 nan 0.000 0.440 283 T N -1.402 113.123 114.554 -0.048 0.000 2.754 283 T HA 0.443 4.793 4.350 -0.000 0.000 0.296 283 T C -0.564 174.222 174.700 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 -0.064 114.535 114.554 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 70.142 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 1.233 178.790 177.584 -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 -0.918 119.448 120.400 -0.056 0.000 3.029 286 K HA 0.488 4.808 4.320 -0.000 0.000 0.169 286 K C 0.357 176.939 176.600 -0.030 0.000 1.090 286 K CA -0.197 56.081 56.287 -0.015 0.000 0.883 286 K CB 0.026 32.542 32.500 0.027 0.000 1.080 286 K HN 0.813 nan 8.250 nan 0.000 0.613 287 G N 1.500 110.258 108.800 -0.070 0.000 2.909 287 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.385 287 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.385 287 G C -0.367 174.441 174.900 -0.153 0.000 1.436 287 G CA 0.106 45.150 45.100 -0.095 0.000 0.949 287 G HN 0.384 nan 8.290 nan 0.000 0.556 288 L N -1.976 119.125 121.223 -0.203 0.000 2.563 288 L HA 0.891 5.231 4.340 -0.000 0.000 0.255 288 L C 0.585 177.351 176.870 -0.172 0.000 1.444 288 L CA 0.059 54.714 54.840 -0.309 0.000 1.526 288 L CB 1.450 43.119 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 -1.086 175.327 176.300 0.187 0.000 1.652 289 D CA -0.135 53.921 54.000 0.093 0.000 0.803 289 D CB 0.261 41.281 40.800 0.366 0.000 1.390 289 D HN 0.335 nan 8.370 nan 0.000 0.528 290 F N -1.912 118.041 119.950 0.005 0.000 2.817 290 F HA 0.677 5.204 4.527 -0.000 0.000 0.317 290 F C 0.169 175.982 175.800 0.022 0.000 1.168 290 F CA -1.008 57.003 58.000 0.019 0.000 0.911 290 F CB 0.843 39.862 39.000 0.032 0.000 1.337 290 F HN -0.282 nan 8.300 nan 0.000 0.464 291 E N 0.112 120.553 120.200 0.401 0.000 2.630 291 E HA 0.397 4.747 4.350 -0.000 0.000 0.218 291 E C 0.918 177.623 176.600 0.175 0.000 0.977 291 E CA 0.114 56.645 56.400 0.218 0.000 1.038 291 E CB 0.619 30.402 29.700 0.138 0.000 1.051 291 E HN 0.645 nan 8.360 nan 0.000 0.487 292 L N -0.090 121.244 121.223 0.185 0.000 2.286 292 L HA 0.296 4.636 4.340 -0.000 0.000 0.203 292 L C 0.487 177.193 176.870 -0.274 0.000 1.068 292 L CA 0.490 55.177 54.840 -0.255 0.000 0.811 292 L CB 0.345 41.983 42.059 -0.701 0.000 0.989 292 L HN -0.082 nan 8.230 nan 0.000 0.467 293 R N -0.566 119.911 120.500 -0.039 0.000 2.668 293 R HA 0.281 4.621 4.340 -0.000 0.000 0.272 293 R C -0.299 176.276 176.300 0.459 0.000 1.019 293 R CA -0.431 55.763 56.100 0.156 0.000 0.894 293 R CB 2.257 32.526 30.300 -0.053 0.000 1.228 293 R HN -0.180 nan 8.270 nan 0.000 0.460 294 K N 0.361 120.855 120.400 0.158 0.000 2.436 294 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 294 K C -0.131 176.514 176.600 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 33.518 32.500 0.081 0.000 1.040 294 K HN 0.422 nan 8.250 nan 0.000 0.536 295 Q N 0.123 119.872 119.800 -0.085 0.000 2.245 295 Q HA 0.268 4.608 4.340 -0.000 0.000 0.256 295 Q C -1.549 174.182 176.000 -0.449 0.000 0.942 295 Q CA -0.624 55.098 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 0.481 120.809 120.300 0.048 0.000 2.317 296 Y HA 0.258 4.808 4.550 -0.000 0.000 0.329 296 Y C -0.826 175.064 175.900 -0.018 0.000 1.101 296 Y CA -0.651 57.468 58.100 0.032 0.000 1.228 296 Y CB 1.553 40.026 38.460 0.021 0.000 1.123 296 Y HN 0.288 nan 8.280 nan 0.000 0.457 297 V N 6.444 126.412 119.914 0.091 0.000 2.311 297 V HA 0.523 4.643 4.120 -0.000 0.000 0.275 297 V C -0.403 175.715 176.094 0.041 0.000 1.022 297 V CA -0.481 61.843 62.300 0.040 0.000 0.830 297 V CB 0.634 32.466 31.823 0.015 0.000 1.012 297 V HN 0.567 nan 8.190 nan 0.000 0.452 298 L N 3.215 124.437 121.223 -0.002 0.000 2.350 298 L HA 0.812 5.152 4.340 -0.000 0.000 0.260 298 L C -0.911 175.925 176.870 -0.057 0.000 1.015 298 L CA -0.943 53.884 54.840 -0.022 0.000 0.821 298 L CB 2.332 44.353 42.059 -0.063 0.000 1.370 298 L HN 0.371 nan 8.230 nan 0.000 0.416 299 Q N 1.407 121.182 119.800 -0.042 0.000 2.375 299 Q HA 0.710 5.050 4.340 -0.000 0.000 0.271 299 Q C -1.624 174.357 176.000 -0.031 0.000 1.074 299 Q CA -0.705 55.066 55.803 -0.055 0.000 0.808 299 Q CB 3.311 32.030 28.738 -0.031 0.000 1.327 299 Q HN 0.483 nan 8.270 nan 0.000 0.441 300 I N 1.423 121.969 120.570 -0.041 0.000 2.466 300 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 300 I C 0.012 176.244 176.117 0.192 0.000 1.026 300 I CA -0.289 61.053 61.300 0.071 0.000 1.078 300 I CB 2.075 40.117 38.000 0.071 0.000 1.249 300 I HN 0.611 nan 8.210 nan 0.000 0.429 301 T N 3.026 117.714 114.554 0.223 0.000 2.934 301 T HA 0.779 5.129 4.350 -0.000 0.000 0.283 301 T C -0.448 174.410 174.700 0.263 0.000 1.005 301 T CA -0.829 61.424 62.100 0.255 0.000 1.041 301 T CB 1.943 70.898 68.868 0.145 0.000 1.042 301 T HN 0.396 nan 8.240 nan 0.000 0.505 302 V N 1.535 121.546 119.914 0.162 0.000 2.588 302 V HA 0.600 4.720 4.120 -0.000 0.000 0.304 302 V C -0.936 175.078 176.094 -0.132 0.000 1.042 302 V CA -0.569 61.619 62.300 -0.187 0.000 0.877 302 V CB 1.547 33.106 31.823 -0.440 0.000 0.996 302 V HN 1.116 nan 8.190 nan 0.000 0.425 303 E N 4.407 124.499 120.200 -0.180 0.000 2.447 303 E HA 0.531 4.881 4.350 -0.000 0.000 0.251 303 E C -0.998 175.522 176.600 -0.133 0.000 0.910 303 E CA -1.062 55.311 56.400 -0.044 0.000 0.841 303 E CB 1.859 31.518 29.700 -0.069 0.000 1.403 303 E HN 0.762 nan 8.360 nan 0.000 0.400 304 N N -1.202 117.429 118.700 -0.114 0.000 2.525 304 N HA 0.375 5.115 4.740 -0.000 0.000 0.288 304 N C 0.300 175.711 175.510 -0.164 0.000 1.242 304 N CA -0.216 52.762 53.050 -0.121 0.000 0.905 304 N CB 1.444 39.903 38.487 -0.046 0.000 1.258 304 N HN 0.480 nan 8.380 nan 0.000 0.551 305 A N 0.231 122.982 122.820 -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 0.609 120.733 120.200 -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 -2.381 53.934 56.400 -0.142 0.000 0.827 306 E CB 0.485 30.142 29.700 -0.072 0.000 1.101 306 E HN 0.070 nan 8.360 nan 0.000 0.393 307 P HA -0.062 nan 4.420 nan 0.000 0.272 307 P C -1.053 176.011 177.300 -0.394 0.000 1.243 307 P CA 0.149 63.002 63.100 -0.412 0.000 0.803 307 P CB 0.234 31.820 31.700 -0.191 0.000 0.974 308 F N -1.352 118.596 119.950 -0.005 0.000 2.422 308 F HA 0.233 4.760 4.527 -0.000 0.000 0.333 308 F C 1.370 177.172 175.800 0.003 0.000 1.095 308 F CA -0.314 57.685 58.000 -0.001 0.000 1.038 308 F CB 0.364 39.362 39.000 -0.004 0.000 1.156 308 F HN 0.099 nan 8.300 nan 0.000 0.483 309 S N 0.556 116.390 115.700 0.224 0.000 2.786 309 S HA 0.339 4.809 4.470 -0.000 0.000 0.223 309 S C 0.025 174.688 174.600 0.105 0.000 0.956 309 S CA -0.073 58.201 58.200 0.124 0.000 0.961 309 S CB -0.481 62.778 63.200 0.098 0.000 0.784 309 S HN 0.393 nan 8.310 nan 0.000 0.519 310 V N 0.837 120.829 119.914 0.131 0.000 3.155 310 V HA 0.243 4.363 4.120 -0.000 0.000 0.272 310 V C -2.880 173.245 176.094 0.052 0.000 1.639 310 V CA -1.890 60.450 62.300 0.066 0.000 1.006 310 V CB 2.110 33.948 31.823 0.026 0.000 1.244 310 V HN -0.031 nan 8.190 nan 0.000 0.458 311 P HA 0.572 nan 4.420 nan 0.000 0.271 311 P C -1.147 176.109 177.300 -0.074 0.000 1.216 311 P CA 0.163 63.266 63.100 0.006 0.000 0.776 311 P CB 0.481 32.186 31.700 0.008 0.000 0.881 312 L N 3.146 124.283 121.223 -0.143 0.000 2.491 312 L HA 0.562 4.902 4.340 -0.000 0.000 0.254 312 L C -2.282 174.477 176.870 -0.185 0.000 1.048 312 L CA -1.843 52.854 54.840 -0.239 0.000 0.855 312 L CB 2.308 44.054 42.059 -0.522 0.000 1.466 312 L HN 0.301 nan 8.230 nan 0.000 0.409 313 P HA 0.253 nan 4.420 nan 0.000 0.293 313 P C -1.097 176.154 177.300 -0.083 0.000 1.300 313 P CA -0.332 62.716 63.100 -0.086 0.000 0.792 313 P CB 1.120 32.787 31.700 -0.055 0.000 0.925 314 T N 1.674 116.215 114.554 -0.021 0.000 2.779 314 T HA 0.213 4.563 4.350 -0.000 0.000 0.296 314 T C 0.358 175.099 174.700 0.070 0.000 0.938 314 T CA 0.218 62.338 62.100 0.033 0.000 1.119 314 T CB 0.155 69.067 68.868 0.074 0.000 0.891 314 T HN 0.263 nan 8.240 nan 0.000 0.526 315 S N 2.787 118.557 115.700 0.117 0.000 2.530 315 S HA 0.462 4.932 4.470 -0.000 0.000 0.322 315 S C 0.405 175.248 174.600 0.404 0.000 1.085 315 S CA -0.857 57.466 58.200 0.206 0.000 1.096 315 S CB 0.739 64.059 63.200 0.201 0.000 0.988 315 S HN 0.778 nan 8.310 nan 0.000 0.466 316 T N 2.531 117.202 114.554 0.194 0.000 2.882 316 T HA 0.671 5.021 4.350 -0.000 0.000 0.287 316 T C -0.017 174.476 174.700 -0.346 0.000 1.014 316 T CA -0.770 61.345 62.100 0.026 0.000 1.049 316 T CB 1.151 70.017 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 -0.925 50.686 52.037 -0.710 0.000 0.774 317 A CB 0.756 18.997 19.000 -1.265 0.000 1.198 317 A HN 0.774 nan 8.150 nan 0.000 0.465 318 T N 1.336 115.784 114.554 -0.177 0.000 2.744 318 T HA 0.567 4.917 4.350 -0.000 0.000 0.291 318 T C -0.287 174.378 174.700 -0.059 0.000 0.957 318 T CA -0.463 61.579 62.100 -0.096 0.000 1.002 318 T CB 1.110 69.942 68.868 -0.059 0.000 0.919 318 T HN 0.455 nan 8.240 nan 0.000 0.468 319 V N 2.840 122.712 119.914 -0.070 0.000 2.789 319 V HA 0.538 4.658 4.120 -0.000 0.000 0.311 319 V C -0.041 176.033 176.094 -0.034 0.000 1.073 319 V CA -0.752 61.517 62.300 -0.050 0.000 0.921 319 V CB 2.586 34.334 31.823 -0.125 0.000 1.009 319 V HN 0.995 nan 8.190 nan 0.000 0.426 320 T N 3.948 118.502 114.554 -0.000 0.000 2.770 320 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 320 T C -0.496 174.227 174.700 0.037 0.000 0.988 320 T CA -0.271 61.844 62.100 0.025 0.000 0.957 320 T CB 1.318 70.203 68.868 0.027 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 0.702 4.822 4.120 -0.000 0.000 0.310 321 V C 0.118 176.311 176.094 0.165 0.000 1.054 321 V CA -0.812 61.552 62.300 0.107 0.000 0.928 321 V CB 2.175 34.049 31.823 0.085 0.000 1.007 321 V HN 0.895 nan 8.190 nan 0.000 0.437 322 T N 2.395 117.020 114.554 0.117 0.000 2.879 322 T HA 0.471 4.821 4.350 -0.000 0.000 0.290 322 T C -0.571 174.174 174.700 0.075 0.000 0.993 322 T CA -0.398 61.765 62.100 0.104 0.000 0.975 322 T CB 1.656 70.562 68.868 0.064 0.000 0.981 322 T HN 0.400 nan 8.240 nan 0.000 0.439 323 V N 4.020 123.974 119.914 0.067 0.000 2.368 323 V HA 0.249 4.369 4.120 -0.000 0.000 0.266 323 V C 0.691 176.769 176.094 -0.027 0.000 1.045 323 V CA -0.705 61.583 62.300 -0.020 0.000 0.899 323 V CB 0.374 32.123 31.823 -0.125 0.000 1.006 323 V HN 0.828 nan 8.190 nan 0.000 0.470 324 E N 2.688 122.865 120.200 -0.037 0.000 2.392 324 E HA 0.195 4.545 4.350 -0.000 0.000 0.259 324 E C -0.669 175.900 176.600 -0.052 0.000 1.108 324 E CA -0.327 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 0.776 121.155 120.400 -0.035 0.000 2.185 325 D HA 0.333 4.973 4.640 -0.000 0.000 0.247 325 D C -1.674 174.601 176.300 -0.041 0.000 1.027 325 D CA -0.545 53.434 54.000 -0.034 0.000 0.861 325 D CB 1.646 42.440 40.800 -0.010 0.000 1.202 325 D HN 0.112 nan 8.370 nan 0.000 0.453 326 V N 3.642 123.529 119.914 -0.045 0.000 2.769 326 V HA 0.529 4.649 4.120 -0.000 0.000 0.312 326 V C -1.180 174.897 176.094 -0.029 0.000 1.061 326 V CA -0.797 61.476 62.300 -0.046 0.000 0.931 326 V CB 1.981 33.766 31.823 -0.062 0.000 1.010 326 V HN 0.640 nan 8.190 nan 0.000 0.433 327 N N 3.941 122.625 118.700 -0.027 0.000 2.424 327 N HA 0.426 5.166 4.740 -0.000 0.000 0.271 327 N C -0.632 174.867 175.510 -0.018 0.000 0.985 327 N CA -0.283 52.757 53.050 -0.017 0.000 0.921 327 N CB 1.717 40.192 38.487 -0.019 0.000 1.149 327 N HN 0.793 nan 8.380 nan 0.000 0.492 328 E N 0.889 121.086 120.200 -0.004 0.000 2.250 328 E HA 0.639 4.989 4.350 -0.000 0.000 0.265 328 E C -0.158 176.442 176.600 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 2.008 124.824 122.820 -0.006 0.000 2.507 329 A HA 0.312 4.632 4.320 -0.000 0.000 0.235 329 A C -2.132 175.465 177.584 0.022 0.000 1.070 329 A CA -0.727 51.298 52.037 -0.021 0.000 0.768 329 A CB -0.502 18.477 19.000 -0.036 0.000 1.011 329 A HN 0.361 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 -0.060 0.000 1.292 330 P CA -0.269 62.761 63.100 -0.117 0.000 0.800 330 P CB 0.497 32.062 31.700 -0.226 0.000 1.188 331 F N -2.927 116.923 119.950 -0.166 0.000 2.615 331 F HA 0.602 5.129 4.527 -0.000 0.000 0.312 331 F C -1.079 174.655 175.800 -0.110 0.000 1.119 331 F CA -1.451 56.419 58.000 -0.217 0.000 0.979 331 F CB 0.261 39.201 39.000 -0.099 0.000 1.266 331 F HN 0.002 nan 8.300 nan 0.000 0.444 332 F N 1.567 121.625 119.950 0.179 0.000 2.490 332 F HA 0.388 4.915 4.527 -0.000 0.000 0.336 332 F C 1.536 177.483 175.800 0.244 0.000 1.178 332 F CA -0.556 57.527 58.000 0.138 0.000 1.301 332 F CB 0.145 39.228 39.000 0.139 0.000 1.175 332 F HN 0.491 nan 8.300 nan 0.000 0.593 333 V N -0.730 119.412 119.914 0.379 0.000 2.251 333 V HA -0.034 4.086 4.120 -0.000 0.000 0.230 333 V C -1.320 174.954 176.094 0.300 0.000 1.032 333 V CA 0.461 62.976 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 -0.124 63.069 63.100 0.156 0.000 0.739 334 P CB 0.308 32.068 31.700 0.100 0.000 1.454 335 A N -0.174 122.711 122.820 0.109 0.000 2.702 335 A HA 0.492 4.812 4.320 -0.000 0.000 0.305 335 A C -0.801 176.813 177.584 0.049 0.000 1.213 335 A CA -0.571 51.520 52.037 0.089 0.000 0.745 335 A CB 0.005 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 1.335 121.265 119.914 0.027 0.000 2.439 336 V HA 0.307 4.427 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 -0.001 62.308 62.300 0.016 0.000 1.002 336 V CB 0.961 32.782 31.823 -0.003 0.000 1.000 336 V HN 0.731 nan 8.190 nan 0.000 0.477 337 S N 4.547 120.264 115.700 0.028 0.000 3.158 337 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 337 S C 0.821 175.449 174.600 0.047 0.000 1.359 337 S CA -0.494 57.728 58.200 0.038 0.000 0.974 337 S CB -0.176 63.046 63.200 0.037 0.000 1.336 337 S HN 0.838 nan 8.310 nan 0.000 0.488 338 R N 1.938 122.465 120.500 0.046 0.000 2.009 338 R HA 0.261 4.601 4.340 -0.000 0.000 0.206 338 R C 0.030 176.360 176.300 0.051 0.000 1.356 338 R CA 0.650 56.775 56.100 0.041 0.000 1.088 338 R CB -0.146 30.168 30.300 0.022 0.000 0.959 338 R HN 0.477 nan 8.270 nan 0.000 0.469 339 V N 2.528 122.475 119.914 0.055 0.000 2.341 339 V HA 0.166 4.286 4.120 -0.000 0.000 0.248 339 V C -1.208 174.929 176.094 0.072 0.000 1.107 339 V CA -0.377 61.954 62.300 0.052 0.000 1.069 339 V CB 0.320 32.168 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 0.304 4.944 4.640 -0.000 0.000 0.240 340 D C -0.151 176.117 176.300 -0.053 0.000 1.250 340 D CA 0.513 54.493 54.000 -0.034 0.000 0.967 340 D CB 1.283 41.987 40.800 -0.160 0.000 1.059 340 D HN 0.500 nan 8.370 nan 0.000 0.512 341 V N 1.809 121.719 119.914 -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 -0.679 61.609 62.300 -0.019 0.000 0.905 341 V CB 2.014 33.836 31.823 -0.002 0.000 0.997 341 V HN 0.523 nan 8.190 nan 0.000 0.436 342 S N 3.348 119.021 115.700 -0.045 0.000 2.632 342 S HA 0.290 4.760 4.470 -0.000 0.000 0.267 342 S C 0.951 175.510 174.600 -0.068 0.000 1.276 342 S CA 0.387 58.557 58.200 -0.049 0.000 0.998 342 S CB 1.198 64.368 63.200 -0.051 0.000 0.953 342 S HN 0.935 nan 8.310 nan 0.000 0.547 343 E N 0.207 120.363 120.200 -0.073 0.000 2.204 343 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 343 E C 0.924 177.454 176.600 -0.117 0.000 0.990 343 E CA 1.271 57.604 56.400 -0.111 0.000 0.821 343 E CB -0.226 29.420 29.700 -0.090 0.000 0.750 343 E HN 0.871 nan 8.360 nan 0.000 0.477 344 D N -0.080 120.268 120.400 -0.085 0.000 2.371 344 D HA -0.029 4.611 4.640 -0.000 0.000 0.234 344 D C 0.300 176.552 176.300 -0.080 0.000 1.049 344 D CA -0.021 53.933 54.000 -0.077 0.000 0.907 344 D CB -0.050 40.716 40.800 -0.057 0.000 0.891 344 D HN 0.120 nan 8.370 nan 0.000 0.531 345 L N 1.240 122.407 121.223 -0.093 0.000 2.525 345 L HA 0.012 4.352 4.340 -0.000 0.000 0.278 345 L C 0.223 177.042 176.870 -0.085 0.000 1.218 345 L CA -0.215 54.575 54.840 -0.084 0.000 0.878 345 L CB 0.486 42.494 42.059 -0.086 0.000 1.127 345 L HN 0.163 nan 8.230 nan 0.000 0.492 346 S N 4.557 120.219 115.700 -0.063 0.000 2.430 346 S HA 0.131 4.601 4.470 -0.000 0.000 0.282 346 S C 0.297 174.865 174.600 -0.052 0.000 1.186 346 S CA -0.781 57.386 58.200 -0.055 0.000 1.060 346 S CB 0.455 63.630 63.200 -0.041 0.000 0.966 346 S HN 0.635 nan 8.310 nan 0.000 0.501 347 R N 2.877 123.343 120.500 -0.057 0.000 3.501 347 R HA 0.177 4.517 4.340 -0.000 0.000 0.332 347 R C 0.929 177.212 176.300 -0.029 0.000 0.776 347 R CA 1.113 57.185 56.100 -0.046 0.000 1.007 347 R CB -1.333 28.941 30.300 -0.043 0.000 0.929 347 R HN 1.182 nan 8.270 nan 0.000 0.372 348 G N 2.844 111.629 108.800 -0.025 0.000 2.441 348 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.139 348 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.139 348 G C -0.925 173.962 174.900 -0.021 0.000 1.067 348 G CA -0.705 44.385 45.100 -0.018 0.000 0.766 348 G HN 0.510 nan 8.290 nan 0.000 0.484 349 E N 0.365 120.552 120.200 -0.023 0.000 2.293 349 E HA 0.310 4.660 4.350 -0.000 0.000 0.270 349 E C 0.064 176.651 176.600 -0.022 0.000 0.879 349 E CA -0.839 55.546 56.400 -0.024 0.000 0.756 349 E CB 1.487 31.170 29.700 -0.030 0.000 1.208 349 E HN 0.344 nan 8.360 nan 0.000 0.428 350 K N 2.900 123.286 120.400 -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 56.671 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 0.840 176.950 176.117 -0.013 0.000 1.081 351 I CA 0.273 61.568 61.300 -0.008 0.000 1.487 351 I CB 0.365 38.370 38.000 0.009 0.000 1.366 351 I HN 0.509 nan 8.210 nan 0.000 0.463 352 I N -0.350 120.207 120.570 -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 39.410 38.000 -0.036 0.000 1.216 352 I HN -0.051 nan 8.210 nan 0.000 0.459 353 S N 7.295 122.962 115.700 -0.054 0.000 2.405 353 S HA 0.610 5.080 4.470 -0.000 0.000 0.291 353 S C -0.131 174.425 174.600 -0.074 0.000 1.137 353 S CA -0.720 57.437 58.200 -0.072 0.000 1.061 353 S CB 0.412 63.580 63.200 -0.053 0.000 1.001 353 S HN 0.574 nan 8.310 nan 0.000 0.507 354 L N 1.345 122.501 121.223 -0.112 0.000 2.286 354 L HA 0.987 5.327 4.340 -0.000 0.000 0.265 354 L C -0.315 176.502 176.870 -0.089 0.000 1.012 354 L CA -1.400 53.388 54.840 -0.088 0.000 0.818 354 L CB 0.543 42.539 42.059 -0.105 0.000 1.337 354 L HN 0.472 nan 8.230 nan 0.000 0.438 355 V N -3.119 116.806 119.914 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 1.020 32.881 31.823 0.063 0.000 1.039 355 V HN 1.418 nan 8.190 nan 0.000 0.430 356 A N 1.984 124.962 122.820 0.263 0.000 2.423 356 A HA 0.924 5.244 4.320 -0.000 0.000 0.304 356 A C -0.879 176.607 177.584 -0.163 0.000 1.104 356 A CA -0.798 51.308 52.037 0.115 0.000 0.757 356 A CB 2.175 21.298 19.000 0.204 0.000 1.313 356 A HN 0.866 nan 8.150 nan 0.000 0.423 357 Q N 0.578 120.016 119.800 -0.603 0.000 2.387 357 Q HA 0.399 4.739 4.340 -0.000 0.000 0.273 357 Q C -1.742 173.709 176.000 -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 31.092 28.738 -0.696 0.000 1.367 357 Q HN 0.834 nan 8.270 nan 0.000 0.443 358 D N 1.985 122.144 120.400 -0.403 0.000 2.649 358 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 358 D C -1.699 174.591 176.300 -0.017 0.000 1.112 358 D CA -1.769 52.122 54.000 -0.182 0.000 0.850 358 D CB 2.229 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 -0.171 nan 4.420 nan 0.000 0.205 359 P C -0.501 176.842 177.300 0.071 0.000 1.164 359 P CA 0.937 64.117 63.100 0.133 0.000 0.938 359 P CB -0.364 31.421 31.700 0.143 0.000 0.777 360 D N 1.582 122.012 120.400 0.050 0.000 2.899 360 D HA -0.057 4.583 4.640 -0.000 0.000 0.254 360 D C 0.670 176.986 176.300 0.027 0.000 1.320 360 D CA 0.544 54.565 54.000 0.035 0.000 0.929 360 D CB -0.495 40.316 40.800 0.018 0.000 1.148 360 D HN 0.180 nan 8.370 nan 0.000 0.571 361 K N 3.024 123.444 120.400 0.034 0.000 2.110 361 K HA -0.032 4.288 4.320 -0.000 0.000 0.260 361 K C 0.151 176.764 176.600 0.021 0.000 1.126 361 K CA 0.123 56.425 56.287 0.026 0.000 1.005 361 K CB 0.235 32.752 32.500 0.030 0.000 1.336 361 K HN 0.605 nan 8.250 nan 0.000 0.369 362 Q N 2.681 122.490 119.800 0.014 0.000 1.752 362 Q HA -0.033 4.307 4.340 -0.000 0.000 0.169 362 Q C -0.568 175.434 176.000 0.004 0.000 0.747 362 Q CA -0.180 55.629 55.803 0.009 0.000 0.814 362 Q CB 0.471 29.214 28.738 0.008 0.000 1.218 362 Q HN 0.569 nan 8.270 nan 0.000 0.384 363 Q N 1.730 121.532 119.800 0.004 0.000 2.851 363 Q HA -0.066 4.274 4.340 -0.000 0.000 0.319 363 Q C -0.298 175.701 176.000 -0.002 0.000 1.225 363 Q CA 1.046 56.848 55.803 -0.003 0.000 1.110 363 Q CB -0.564 28.173 28.738 -0.002 0.000 1.128 363 Q HN 0.466 nan 8.270 nan 0.000 0.440 364 I N 0.873 121.440 120.570 -0.005 0.000 2.816 364 I HA 0.184 4.354 4.170 -0.000 0.000 0.279 364 I C -1.647 174.465 176.117 -0.008 0.000 1.662 364 I CA -0.336 60.962 61.300 -0.004 0.000 0.785 364 I CB 0.725 38.724 38.000 -0.001 0.000 1.738 364 I HN 0.330 nan 8.210 nan 0.000 0.561 365 Q N 2.062 121.854 119.800 -0.013 0.000 2.418 365 Q HA 0.546 4.886 4.340 -0.000 0.000 0.240 365 Q C -1.425 174.558 176.000 -0.029 0.000 0.859 365 Q CA -0.886 54.905 55.803 -0.021 0.000 0.916 365 Q CB 1.436 30.158 28.738 -0.026 0.000 1.448 365 Q HN 0.469 nan 8.270 nan 0.000 0.439 366 K N 2.083 122.468 120.400 -0.025 0.000 2.288 366 K HA 0.786 5.106 4.320 -0.000 0.000 0.234 366 K C -0.878 175.687 176.600 -0.058 0.000 1.037 366 K CA -0.800 55.466 56.287 -0.036 0.000 0.914 366 K CB 1.037 33.531 32.500 -0.011 0.000 1.197 366 K HN 0.644 nan 8.250 nan 0.000 0.471 367 L N -1.887 119.275 121.223 -0.101 0.000 2.230 367 L HA 0.708 5.048 4.340 -0.000 0.000 0.255 367 L C -1.011 175.771 176.870 -0.146 0.000 1.039 367 L CA -0.767 53.984 54.840 -0.148 0.000 0.846 367 L CB 1.802 43.707 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 0.191 0.000 1.105 368 S CA -0.547 57.717 58.200 0.106 0.000 1.018 368 S CB 0.616 64.053 63.200 0.395 0.000 1.021 368 S HN 0.455 nan 8.310 nan 0.000 0.483 369 Y N 2.043 122.489 120.300 0.244 0.000 2.365 369 Y HA 0.582 5.132 4.550 -0.000 0.000 0.340 369 Y C -0.428 175.599 175.900 0.211 0.000 1.016 369 Y CA -0.741 57.527 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 -0.214 175.672 175.800 0.144 0.000 1.076 370 F CA -1.309 56.775 58.000 0.140 0.000 0.928 370 F CB 0.983 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 0.351 121.071 120.570 0.250 0.000 3.514 371 I HA 0.703 4.873 4.170 -0.000 0.000 0.300 371 I C 1.077 177.287 176.117 0.156 0.000 1.194 371 I CA -0.305 61.092 61.300 0.160 0.000 0.968 371 I CB 1.241 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 0.510 109.365 108.800 0.091 0.000 4.120 372 G HA2 0.014 3.974 3.960 -0.000 0.000 0.195 372 G HA3 0.014 3.974 3.960 -0.000 0.000 0.195 372 G C 0.416 175.327 174.900 0.019 0.000 1.420 372 G CA -0.201 44.940 45.100 0.069 0.000 0.981 372 G HN 0.530 nan 8.290 nan 0.000 0.496 373 N N 0.974 119.672 118.700 -0.003 0.000 2.229 373 N HA 0.232 4.972 4.740 -0.000 0.000 0.242 373 N C -0.043 175.419 175.510 -0.079 0.000 1.327 373 N CA 1.023 54.047 53.050 -0.044 0.000 0.896 373 N CB 0.413 38.858 38.487 -0.069 0.000 1.129 373 N HN 0.403 nan 8.380 nan 0.000 0.490 374 D N -2.134 118.197 120.400 -0.115 0.000 2.656 374 D HA 0.147 4.787 4.640 -0.000 0.000 0.384 374 D C -2.366 173.820 176.300 -0.189 0.000 1.347 374 D CA -0.376 53.542 54.000 -0.138 0.000 0.970 374 D CB -1.179 39.567 40.800 -0.089 0.000 1.549 374 D HN 0.287 nan 8.370 nan 0.000 0.401 375 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 0.324 63.208 63.100 -0.360 0.000 0.788 375 P CB 0.496 31.880 31.700 -0.527 0.000 0.865 376 A N 2.325 124.779 122.820 -0.610 0.000 2.587 376 A HA -0.070 4.250 4.320 -0.000 0.000 0.235 376 A C 0.663 177.814 177.584 -0.723 0.000 1.044 376 A CA 0.020 51.759 52.037 -0.497 0.000 0.754 376 A CB -0.465 18.416 19.000 -0.199 0.000 0.968 376 A HN 0.627 nan 8.150 nan 0.000 0.509 377 R N 1.740 122.040 120.500 -0.334 0.000 4.237 377 R HA -0.168 4.172 4.340 -0.000 0.000 0.171 377 R C -0.301 176.049 176.300 0.083 0.000 0.417 377 R CA 1.031 57.049 56.100 -0.138 0.000 0.895 377 R CB -0.222 30.071 30.300 -0.013 0.000 1.009 377 R HN 0.834 nan 8.270 nan 0.000 0.271 378 W N 4.068 125.344 121.300 -0.040 0.000 4.409 378 W HA 0.118 4.778 4.660 -0.000 0.000 0.188 378 W C 0.507 177.009 176.519 -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 1.898 123.307 121.223 0.309 0.000 2.516 379 L HA 0.469 4.809 4.340 -0.000 0.000 0.288 379 L C -0.033 176.887 176.870 0.084 0.000 1.246 379 L CA 0.840 55.779 54.840 0.164 0.000 0.844 379 L CB -0.462 41.692 42.059 0.158 0.000 1.106 379 L HN -0.151 nan 8.230 nan 0.000 0.509 380 T N 0.609 115.193 114.554 0.049 0.000 3.012 380 T HA 0.506 4.856 4.350 -0.000 0.000 0.330 380 T C -0.641 174.055 174.700 -0.006 0.000 1.321 380 T CA -0.647 61.464 62.100 0.019 0.000 1.067 380 T CB 1.909 70.785 68.868 0.014 0.000 1.235 380 T HN 0.716 nan 8.240 nan 0.000 0.479 381 V N 1.084 120.988 119.914 -0.017 0.000 2.547 381 V HA 0.723 4.843 4.120 -0.000 0.000 0.299 381 V C 0.069 176.134 176.094 -0.049 0.000 1.040 381 V CA -0.936 61.342 62.300 -0.036 0.000 0.913 381 V CB 1.752 33.566 31.823 -0.016 0.000 0.992 381 V HN 0.874 nan 8.190 nan 0.000 0.449 382 N N 3.401 122.064 118.700 -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 -0.368 52.650 53.050 -0.053 0.000 0.948 382 N CB 1.613 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 1.747 122.136 120.400 -0.018 0.000 2.217 383 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 383 K C -0.055 176.703 176.600 0.263 0.000 1.051 383 K CA 0.955 57.275 56.287 0.056 0.000 0.952 383 K CB 0.360 32.748 32.500 -0.187 0.000 0.736 383 K HN 0.588 nan 8.250 nan 0.000 0.453 384 D N -0.140 120.352 120.400 0.154 0.000 2.358 384 D HA 0.008 4.648 4.640 -0.000 0.000 0.224 384 D C 0.231 176.643 176.300 0.187 0.000 1.123 384 D CA 0.327 54.439 54.000 0.186 0.000 0.833 384 D CB 0.181 41.032 40.800 0.085 0.000 0.946 384 D HN 0.261 nan 8.370 nan 0.000 0.505 385 N N -0.132 118.629 118.700 0.101 0.000 1.958 385 N HA 0.050 4.790 4.740 -0.000 0.000 0.223 385 N C 0.285 175.546 175.510 -0.416 0.000 1.395 385 N CA 0.002 53.009 53.050 -0.071 0.000 0.737 385 N CB 0.818 39.275 38.487 -0.049 0.000 1.155 385 N HN 0.013 nan 8.380 nan 0.000 0.529 386 G N 2.458 110.742 108.800 -0.861 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 -0.435 174.186 174.900 -0.465 0.000 0.861 386 G CA 0.616 45.058 45.100 -1.097 0.000 1.289 386 G HN 0.383 nan 8.290 nan 0.000 0.403 387 I N 0.677 121.090 120.570 -0.261 0.000 2.439 387 I HA 0.297 4.467 4.170 -0.000 0.000 0.285 387 I C 0.146 176.199 176.117 -0.107 0.000 1.021 387 I CA -1.157 60.049 61.300 -0.157 0.000 1.091 387 I CB 2.130 40.064 38.000 -0.111 0.000 1.242 387 I HN -0.031 nan 8.210 nan 0.000 0.439 388 V N 5.083 124.943 119.914 -0.090 0.000 2.348 388 V HA 0.336 4.456 4.120 -0.000 0.000 0.270 388 V C 0.664 176.740 176.094 -0.029 0.000 1.037 388 V CA -0.339 61.929 62.300 -0.053 0.000 0.872 388 V CB 0.979 32.771 31.823 -0.051 0.000 1.002 388 V HN 0.889 nan 8.190 nan 0.000 0.464 389 T N 1.647 116.192 114.554 -0.016 0.000 2.937 389 T HA 0.758 5.108 4.350 -0.000 0.000 0.283 389 T C 0.213 174.922 174.700 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 0.870 109.675 108.800 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 -0.743 174.158 174.900 0.001 0.000 1.328 390 G CA -0.824 44.287 45.100 0.018 0.000 1.034 390 G HN 0.808 nan 8.290 nan 0.000 0.518 391 N N 0.763 119.483 118.700 0.032 0.000 2.482 391 N HA 0.717 5.457 4.740 -0.000 0.000 0.279 391 N C 0.574 176.085 175.510 0.003 0.000 1.182 391 N CA 0.209 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 0.537 109.320 108.800 -0.029 0.000 2.757 392 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.638 392 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.638 392 G C -1.027 173.749 174.900 -0.207 0.000 1.344 392 G CA -0.818 44.234 45.100 -0.080 0.000 0.855 392 G HN 0.738 nan 8.290 nan 0.000 0.537 393 N N -0.782 117.776 118.700 -0.237 0.000 2.421 393 N HA 0.688 5.428 4.740 -0.000 0.000 0.285 393 N C 0.011 175.221 175.510 -0.500 0.000 1.027 393 N CA -0.728 52.161 53.050 -0.268 0.000 0.918 393 N CB 0.719 39.123 38.487 -0.138 0.000 1.152 393 N HN 0.584 nan 8.380 nan 0.000 0.485 394 L N 1.683 122.576 121.223 -0.550 0.000 2.260 394 L HA 0.644 4.984 4.340 -0.000 0.000 0.265 394 L C -0.680 175.971 176.870 -0.365 0.000 1.015 394 L CA -0.583 53.798 54.840 -0.764 0.000 0.826 394 L CB 1.516 43.056 42.059 -0.865 0.000 1.373 394 L HN 0.550 nan 8.230 nan 0.000 0.450 395 D N -1.540 118.695 120.400 -0.275 0.000 2.266 395 D HA 0.184 4.824 4.640 -0.000 0.000 0.218 395 D C 0.412 176.683 176.300 -0.048 0.000 1.311 395 D CA -0.320 53.611 54.000 -0.115 0.000 0.918 395 D CB 0.834 41.599 40.800 -0.057 0.000 1.530 395 D HN 0.453 nan 8.370 nan 0.000 0.514 396 R N 1.467 121.945 120.500 -0.037 0.000 2.133 396 R HA -0.214 4.126 4.340 -0.000 0.000 0.247 396 R C 0.935 177.263 176.300 0.046 0.000 1.151 396 R CA 1.622 57.735 56.100 0.020 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 -0.678 119.540 120.200 0.029 0.000 2.333 397 E HA -0.133 4.217 4.350 -0.000 0.000 0.200 397 E C 1.269 177.899 176.600 0.051 0.000 1.010 397 E CA 1.357 57.779 56.400 0.037 0.000 0.841 397 E CB 0.093 29.807 29.700 0.024 0.000 0.757 397 E HN 0.232 nan 8.360 nan 0.000 0.508 398 S N -2.500 113.243 115.700 0.073 0.000 2.597 398 S HA 0.087 4.557 4.470 -0.000 0.000 0.275 398 S C 1.279 175.923 174.600 0.073 0.000 1.040 398 S CA 0.258 58.501 58.200 0.071 0.000 1.187 398 S CB 0.112 63.341 63.200 0.047 0.000 0.988 398 S HN 0.216 nan 8.310 nan 0.000 0.490 399 E N -0.825 119.446 120.200 0.118 0.000 2.357 399 E HA 0.212 4.562 4.350 -0.000 0.000 0.202 399 E C 1.079 177.663 176.600 -0.027 0.000 0.855 399 E CA 0.122 56.522 56.400 -0.000 0.000 1.048 399 E CB -0.181 29.447 29.700 -0.121 0.000 1.037 399 E HN 0.489 nan 8.360 nan 0.000 0.499 400 Y N 1.071 121.440 120.300 0.116 0.000 2.231 400 Y HA 0.115 4.665 4.550 -0.000 0.000 0.294 400 Y C 0.801 176.800 175.900 0.165 0.000 1.120 400 Y CA 0.389 58.576 58.100 0.144 0.000 1.141 400 Y CB 0.096 38.683 38.460 0.211 0.000 1.022 400 Y HN -0.162 nan 8.280 nan 0.000 0.523 401 V N 2.936 123.076 119.914 0.377 0.000 2.583 401 V HA -0.191 3.929 4.120 -0.000 0.000 0.302 401 V C 0.566 176.762 176.094 0.169 0.000 1.033 401 V CA 0.546 63.011 62.300 0.275 0.000 1.194 401 V CB 0.079 32.033 31.823 0.219 0.000 0.879 401 V HN 0.369 nan 8.190 nan 0.000 0.482 402 K N 3.437 123.920 120.400 0.138 0.000 2.786 402 K HA 0.178 4.498 4.320 -0.000 0.000 0.224 402 K C 0.881 177.517 176.600 0.059 0.000 1.089 402 K CA -0.384 55.953 56.287 0.082 0.000 1.162 402 K CB -0.033 32.508 32.500 0.067 0.000 1.585 402 K HN 0.597 nan 8.250 nan 0.000 0.466 403 N N 1.308 120.033 118.700 0.041 0.000 2.328 403 N HA -0.065 4.675 4.740 -0.000 0.000 0.277 403 N C 0.323 175.847 175.510 0.023 0.000 1.286 403 N CA 0.281 53.344 53.050 0.022 0.000 0.949 403 N CB 0.137 38.625 38.487 0.001 0.000 1.136 403 N HN 0.130 nan 8.380 nan 0.000 0.550 404 N N -1.280 117.415 118.700 -0.009 0.000 2.760 404 N HA -0.121 4.619 4.740 -0.000 0.000 0.200 404 N C 0.049 175.545 175.510 -0.024 0.000 1.306 404 N CA 0.415 53.451 53.050 -0.022 0.000 0.957 404 N CB -0.063 38.359 38.487 -0.110 0.000 1.041 404 N HN 0.531 nan 8.380 nan 0.000 0.448 405 T N -1.826 112.740 114.554 0.020 0.000 2.810 405 T HA 0.220 4.570 4.350 -0.000 0.000 0.277 405 T C -0.971 173.867 174.700 0.230 0.000 0.973 405 T CA -0.322 61.820 62.100 0.071 0.000 0.949 405 T CB 0.815 69.700 68.868 0.028 0.000 1.075 405 T HN 0.141 nan 8.240 nan 0.000 0.537 406 Y N 0.715 121.050 120.300 0.057 0.000 2.237 406 Y HA 0.322 4.872 4.550 -0.000 0.000 0.316 406 Y C -0.865 175.053 175.900 0.031 0.000 1.236 406 Y CA -0.749 57.393 58.100 0.071 0.000 1.257 406 Y CB 0.656 39.213 38.460 0.161 0.000 1.272 406 Y HN 1.009 nan 8.280 nan 0.000 0.394 407 T N 3.118 117.368 114.554 -0.507 0.000 2.823 407 T HA 0.881 5.231 4.350 -0.000 0.000 0.279 407 T C -0.862 173.532 174.700 -0.510 0.000 0.998 407 T CA -0.846 61.042 62.100 -0.353 0.000 0.994 407 T CB 2.132 70.876 68.868 -0.208 0.000 0.960 407 T HN 0.343 nan 8.240 nan 0.000 0.448 408 V N 2.982 122.713 119.914 -0.305 0.000 2.888 408 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 408 V C -0.637 175.385 176.094 -0.121 0.000 1.114 408 V CA -1.019 61.135 62.300 -0.245 0.000 0.940 408 V CB 2.002 33.711 31.823 -0.189 0.000 1.021 408 V HN 0.909 nan 8.190 nan 0.000 0.426 409 I N 4.038 124.560 120.570 -0.080 0.000 2.693 409 I HA 0.689 4.859 4.170 -0.000 0.000 0.303 409 I C -0.269 175.860 176.117 0.022 0.000 1.025 409 I CA -0.558 60.733 61.300 -0.014 0.000 1.086 409 I CB 2.000 40.008 38.000 0.014 0.000 1.268 409 I HN 0.466 nan 8.210 nan 0.000 0.440 410 M N 4.445 124.094 119.600 0.081 0.000 2.704 410 M HA 0.641 5.121 4.480 -0.000 0.000 0.284 410 M C -1.243 175.325 176.300 0.448 0.000 1.275 410 M CA -0.782 54.611 55.300 0.154 0.000 0.811 410 M CB 2.638 35.238 32.600 0.000 0.000 1.741 410 M HN 0.369 nan 8.290 nan 0.000 0.458 411 L N 0.400 121.918 121.223 0.491 0.000 2.257 411 L HA 0.952 5.292 4.340 -0.000 0.000 0.257 411 L C -1.204 175.958 176.870 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 44.717 42.059 0.170 0.000 1.398 411 L HN 0.539 nan 8.230 nan 0.000 0.429 412 V N -0.405 119.565 119.914 0.094 0.000 3.000 412 V HA 0.523 4.643 4.120 -0.000 0.000 0.300 412 V C -1.318 174.676 176.094 -0.167 0.000 1.251 412 V CA -0.080 62.212 62.300 -0.014 0.000 0.972 412 V CB 2.387 34.117 31.823 -0.155 0.000 1.065 412 V HN 0.785 nan 8.190 nan 0.000 0.431 413 T N 3.154 117.607 114.554 -0.168 0.000 2.824 413 T HA 0.438 4.788 4.350 -0.000 0.000 0.282 413 T C -1.095 173.512 174.700 -0.155 0.000 0.993 413 T CA -0.314 61.674 62.100 -0.187 0.000 0.967 413 T CB 1.228 69.946 68.868 -0.251 0.000 0.960 413 T HN 0.982 nan 8.240 nan 0.000 0.441 414 D N 4.107 124.425 120.400 -0.137 0.000 2.374 414 D HA 0.249 4.889 4.640 -0.000 0.000 0.240 414 D C 0.025 176.277 176.300 -0.081 0.000 1.229 414 D CA 0.096 54.032 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 1.068 177.348 176.300 -0.034 0.000 1.134 415 D CA -0.008 53.966 54.000 -0.043 0.000 1.099 415 D CB 1.488 42.272 40.800 -0.026 0.000 1.287 415 D HN 0.501 nan 8.370 nan 0.000 0.634 416 G N -1.003 107.784 108.800 -0.021 0.000 2.527 416 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 416 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 416 G C 0.870 175.760 174.900 -0.016 0.000 1.177 416 G CA 1.221 46.311 45.100 -0.016 0.000 0.695 416 G HN 1.183 nan 8.290 nan 0.000 0.517 417 V N -4.477 115.424 119.914 -0.021 0.000 3.309 417 V HA 0.728 4.848 4.120 -0.000 0.000 0.268 417 V C 0.937 177.016 176.094 -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 1.221 nan 8.190 nan 0.000 0.418 418 S N -1.160 114.522 115.700 -0.031 0.000 5.830 418 S HA 0.642 5.112 4.470 -0.000 0.000 0.119 418 S C -0.488 174.085 174.600 -0.044 0.000 1.116 418 S CA 0.897 59.076 58.200 -0.035 0.000 1.371 418 S CB 1.263 64.443 63.200 -0.034 0.000 2.079 418 S HN 0.405 nan 8.310 nan 0.000 0.649 419 V N 0.025 119.909 119.914 -0.051 0.000 3.242 419 V HA 0.765 4.885 4.120 -0.000 0.000 0.298 419 V C -0.670 175.380 176.094 -0.073 0.000 1.352 419 V CA 0.156 62.418 62.300 -0.063 0.000 1.052 419 V CB 1.662 33.449 31.823 -0.059 0.000 1.101 419 V HN 1.007 nan 8.190 nan 0.000 0.446 420 G N 0.630 109.375 108.800 -0.091 0.000 2.404 420 G HA2 0.565 4.525 3.960 -0.000 0.000 0.298 420 G HA3 0.565 4.525 3.960 -0.000 0.000 0.298 420 G C -1.331 173.493 174.900 -0.126 0.000 1.577 420 G CA -0.145 44.895 45.100 -0.099 0.000 0.847 420 G HN 0.695 nan 8.290 nan 0.000 0.598 421 T N -0.442 114.041 114.554 -0.118 0.000 2.916 421 T HA 0.768 5.118 4.350 -0.000 0.000 0.305 421 T C -0.103 174.506 174.700 -0.152 0.000 1.119 421 T CA -0.015 62.005 62.100 -0.134 0.000 1.008 421 T CB 2.155 70.961 68.868 -0.104 0.000 1.129 421 T HN 1.530 nan 8.240 nan 0.000 0.480 422 G N 1.695 110.367 108.800 -0.214 0.000 2.845 422 G HA2 0.506 4.466 3.960 -0.000 0.000 0.282 422 G HA3 0.506 4.466 3.960 -0.000 0.000 0.282 422 G C -0.507 174.217 174.900 -0.294 0.000 1.546 422 G CA -0.626 44.269 45.100 -0.341 0.000 1.089 422 G HN 0.647 nan 8.290 nan 0.000 0.558 423 T N 1.074 115.580 114.554 -0.080 0.000 2.727 423 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 423 T C 0.491 175.327 174.700 0.225 0.000 0.942 423 T CA -0.326 61.831 62.100 0.094 0.000 0.997 423 T CB 1.767 70.672 68.868 0.062 0.000 0.917 423 T HN 0.678 nan 8.240 nan 0.000 0.487 424 G N 2.500 111.632 108.800 0.554 0.000 2.609 424 G HA2 0.559 4.519 3.960 -0.000 0.000 0.308 424 G HA3 0.559 4.519 3.960 -0.000 0.000 0.308 424 G C -0.220 174.812 174.900 0.220 0.000 1.369 424 G CA -0.750 44.676 45.100 0.543 0.000 0.958 424 G HN 0.604 nan 8.290 nan 0.000 0.499 425 T N 2.209 116.834 114.554 0.119 0.000 2.882 425 T HA 0.571 4.921 4.350 -0.000 0.000 0.287 425 T C -0.243 174.451 174.700 -0.010 0.000 1.014 425 T CA -0.501 61.618 62.100 0.031 0.000 1.049 425 T CB 1.626 70.506 68.868 0.021 0.000 1.001 425 T HN 0.453 nan 8.240 nan 0.000 0.525 426 L N 3.254 124.451 121.223 -0.043 0.000 2.541 426 L HA 0.555 4.895 4.340 -0.000 0.000 0.266 426 L C -1.294 175.550 176.870 -0.042 0.000 0.966 426 L CA -0.708 54.103 54.840 -0.048 0.000 0.871 426 L CB 1.111 43.124 42.059 -0.077 0.000 1.232 426 L HN 0.830 nan 8.230 nan 0.000 0.408 427 I N 6.994 127.554 120.570 -0.015 0.000 2.359 427 I HA 0.455 4.625 4.170 -0.000 0.000 0.294 427 I C -1.132 175.013 176.117 0.047 0.000 0.987 427 I CA -0.783 60.516 61.300 -0.002 0.000 1.225 427 I CB 1.476 39.473 38.000 -0.005 0.000 1.366 427 I HN 0.715 nan 8.210 nan 0.000 0.466 428 L N 6.006 127.287 121.223 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 -0.759 54.167 54.840 0.145 0.000 0.828 428 L CB 1.448 43.609 42.059 0.169 0.000 1.249 428 L HN 0.609 nan 8.230 nan 0.000 0.409 429 H N 4.150 123.265 119.070 0.075 0.000 3.145 429 H HA 0.275 4.831 4.556 -0.000 0.000 0.263 429 H C -0.554 174.813 175.328 0.065 0.000 1.057 429 H CA 0.215 56.304 56.048 0.068 0.000 1.477 429 H CB 0.842 30.631 29.762 0.044 0.000 1.529 429 H HN 0.581 nan 8.280 nan 0.000 0.508 430 V N 6.610 126.751 119.914 0.378 0.000 3.083 430 V HA 0.207 4.327 4.120 -0.000 0.000 0.306 430 V C 0.848 177.088 176.094 0.244 0.000 1.077 430 V CA -0.554 61.883 62.300 0.228 0.000 1.073 430 V CB 1.494 33.411 31.823 0.156 0.000 1.081 430 V HN 0.597 nan 8.190 nan 0.000 0.474 431 L N 0.856 122.130 121.223 0.086 0.000 2.283 431 L HA 0.584 4.924 4.340 -0.000 0.000 0.259 431 L C -0.981 175.903 176.870 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 0.128 120.538 120.400 0.017 0.000 2.163 432 D HA 0.579 5.219 4.640 -0.000 0.000 0.248 432 D C -1.219 175.078 176.300 -0.006 0.000 1.035 432 D CA -0.116 53.890 54.000 0.011 0.000 0.872 432 D CB 1.791 42.606 40.800 0.025 0.000 1.183 432 D HN 0.157 nan 8.370 nan 0.000 0.445 433 V N 2.091 122.000 119.914 -0.008 0.000 2.914 433 V HA 0.481 4.601 4.120 -0.000 0.000 0.314 433 V C -0.161 175.929 176.094 -0.007 0.000 1.084 433 V CA -1.246 61.045 62.300 -0.015 0.000 0.963 433 V CB 1.754 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 1.297 119.992 118.700 -0.008 0.000 2.645 434 N HA 0.261 5.001 4.740 -0.000 0.000 0.233 434 N C 0.093 175.601 175.510 -0.003 0.000 1.058 434 N CA -0.120 52.928 53.050 -0.002 0.000 0.942 434 N CB 0.562 39.046 38.487 -0.005 0.000 1.210 434 N HN 0.764 nan 8.380 nan 0.000 0.512 435 D N 1.229 121.629 120.400 -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 0.836 54.835 54.000 -0.002 0.000 0.915 435 D CB -0.129 40.669 40.800 -0.003 0.000 1.017 435 D HN 0.538 nan 8.370 nan 0.000 0.437 436 N N -0.205 118.503 118.700 0.013 0.000 2.207 436 N HA 0.373 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 -1.942 106.882 108.800 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 -1.371 43.766 45.100 0.061 0.000 0.916 437 G HN 0.422 nan 8.290 nan 0.000 0.474 438 P HA 0.159 nan 4.420 nan 0.000 0.266 438 P C -0.598 176.749 177.300 0.077 0.000 1.180 438 P CA 0.163 63.375 63.100 0.187 0.000 0.765 438 P CB 0.987 32.920 31.700 0.389 0.000 0.806 439 V N 3.478 123.407 119.914 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 -1.919 60.379 62.300 -0.003 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 0.200 nan 4.420 nan 0.000 0.271 440 P C 0.693 177.978 177.300 -0.025 0.000 1.216 440 P CA 0.081 63.160 63.100 -0.036 0.000 0.771 440 P CB 0.876 32.564 31.700 -0.020 0.000 0.864 441 S N 4.546 120.230 115.700 -0.026 0.000 2.343 441 S HA 0.024 4.494 4.470 -0.000 0.000 0.212 441 S C -1.289 173.312 174.600 0.001 0.000 1.033 441 S CA 0.661 58.850 58.200 -0.017 0.000 1.004 441 S CB -2.427 60.758 63.200 -0.026 0.000 0.977 441 S HN 0.438 nan 8.310 nan 0.000 0.427 442 P HA 0.467 nan 4.420 nan 0.000 0.284 442 P C -0.467 176.873 177.300 0.067 0.000 1.253 442 P CA -0.490 62.645 63.100 0.057 0.000 0.800 442 P CB 1.042 32.800 31.700 0.095 0.000 0.961 443 R N 0.563 121.058 120.500 -0.009 0.000 2.365 443 R HA 0.288 4.628 4.340 -0.000 0.000 0.223 443 R C -0.315 175.832 176.300 -0.254 0.000 0.899 443 R CA 0.107 56.139 56.100 -0.113 0.000 1.059 443 R CB 0.627 30.863 30.300 -0.108 0.000 1.086 443 R HN 0.280 nan 8.270 nan 0.000 0.522 444 V N 1.244 121.057 119.914 -0.168 0.000 2.668 444 V HA 0.367 4.487 4.120 -0.000 0.000 0.304 444 V C -0.542 175.552 176.094 -0.000 0.000 1.071 444 V CA -0.911 61.234 62.300 -0.259 0.000 0.894 444 V CB 1.834 33.563 31.823 -0.157 0.000 1.008 444 V HN 0.012 nan 8.190 nan 0.000 0.425 445 F N 1.256 121.134 119.950 -0.118 0.000 2.452 445 F HA 0.722 5.249 4.527 -0.000 0.000 0.353 445 F C 0.637 176.394 175.800 -0.073 0.000 1.089 445 F CA -0.939 57.005 58.000 -0.094 0.000 1.080 445 F CB 1.674 40.609 39.000 -0.109 0.000 1.399 445 F HN 0.310 nan 8.300 nan 0.000 0.492 446 T N 1.777 116.456 114.554 0.207 0.000 3.233 446 T HA 0.230 4.580 4.350 -0.000 0.000 0.324 446 T C -0.392 174.366 174.700 0.098 0.000 0.992 446 T CA -0.536 61.626 62.100 0.102 0.000 1.414 446 T CB 0.312 69.216 68.868 0.060 0.000 0.935 446 T HN 0.308 nan 8.240 nan 0.000 0.544 447 M N 1.137 120.812 119.600 0.125 0.000 2.197 447 M HA 0.454 4.934 4.480 -0.000 0.000 0.305 447 M C 0.389 176.743 176.300 0.089 0.000 1.162 447 M CA -0.283 55.087 55.300 0.116 0.000 1.099 447 M CB 1.000 33.713 32.600 0.188 0.000 1.430 447 M HN 0.542 nan 8.290 nan 0.000 0.481 448 c N 0.249 118.894 118.600 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 56.043 56.329 0.059 0.000 1.935 448 c CB 1.551 44.084 42.510 0.038 0.000 2.188 448 c HN 0.907 nan 8.230 nan 0.000 0.523 449 D N -0.504 119.926 120.400 0.049 0.000 2.306 449 D HA -0.042 4.598 4.640 -0.000 0.000 0.239 449 D C 1.856 178.172 176.300 0.028 0.000 1.105 449 D CA 1.228 55.253 54.000 0.043 0.000 0.950 449 D CB -0.224 40.597 40.800 0.035 0.000 1.036 449 D HN 0.523 nan 8.370 nan 0.000 0.428 450 Q N -0.023 119.788 119.800 0.019 0.000 2.047 450 Q HA -0.163 4.177 4.340 -0.000 0.000 0.211 450 Q C 0.222 176.228 176.000 0.009 0.000 1.005 450 Q CA 1.470 57.280 55.803 0.011 0.000 0.866 450 Q CB -0.477 28.266 28.738 0.009 0.000 0.938 450 Q HN 0.336 nan 8.270 nan 0.000 0.414 451 N N -0.421 118.286 118.700 0.013 0.000 2.751 451 N HA 0.224 4.964 4.740 -0.000 0.000 0.234 451 N C -2.853 172.666 175.510 0.016 0.000 1.403 451 N CA -0.827 52.230 53.050 0.011 0.000 0.747 451 N CB 1.610 40.100 38.487 0.005 0.000 1.326 451 N HN -0.045 nan 8.380 nan 0.000 0.532 452 P HA -0.023 nan 4.420 nan 0.000 0.265 452 P C -0.236 177.076 177.300 0.020 0.000 1.193 452 P CA 0.127 63.247 63.100 0.033 0.000 0.765 452 P CB 0.488 32.227 31.700 0.065 0.000 0.823 453 E N 4.286 124.489 120.200 0.005 0.000 2.318 453 E HA 0.434 4.784 4.350 -0.000 0.000 0.265 453 E C -2.317 174.270 176.600 -0.022 0.000 1.069 453 E CA -2.570 53.825 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 0.246 nan 8.360 nan 0.000 0.414 454 P HA -0.139 nan 4.420 nan 0.000 0.261 454 P C -1.082 176.149 177.300 -0.114 0.000 1.158 454 P CA 0.458 63.529 63.100 -0.048 0.000 0.758 454 P CB 0.295 31.971 31.700 -0.039 0.000 0.763 455 Q N 3.618 123.301 119.800 -0.195 0.000 2.377 455 Q HA 0.240 4.580 4.340 -0.000 0.000 0.249 455 Q C -0.866 174.928 176.000 -0.342 0.000 1.005 455 Q CA -0.379 55.189 55.803 -0.392 0.000 0.912 455 Q CB 0.056 28.295 28.738 -0.831 0.000 1.223 455 Q HN 0.179 nan 8.270 nan 0.000 0.459 456 V N 5.321 125.094 119.914 -0.236 0.000 2.655 456 V HA 0.214 4.334 4.120 -0.000 0.000 0.300 456 V C 0.073 176.063 176.094 -0.175 0.000 1.044 456 V CA -0.133 62.068 62.300 -0.165 0.000 1.095 456 V CB 0.410 32.167 31.823 -0.110 0.000 0.952 456 V HN 0.749 nan 8.190 nan 0.000 0.485 457 L N 4.442 125.589 121.223 -0.127 0.000 2.465 457 L HA 0.852 5.192 4.340 -0.000 0.000 0.257 457 L C -0.052 176.769 176.870 -0.082 0.000 0.988 457 L CA 0.112 54.901 54.840 -0.084 0.000 0.827 457 L CB 2.720 44.742 42.059 -0.062 0.000 1.397 457 L HN 0.919 nan 8.230 nan 0.000 0.410 458 T N 0.004 114.512 114.554 -0.077 0.000 2.742 458 T HA 0.809 5.159 4.350 -0.000 0.000 0.282 458 T C -0.888 173.730 174.700 -0.136 0.000 1.025 458 T CA -0.675 61.361 62.100 -0.108 0.000 1.020 458 T CB 1.419 70.234 68.868 -0.089 0.000 1.317 458 T HN 0.324 nan 8.240 nan 0.000 0.538 459 I N 1.462 121.916 120.570 -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 2.539 40.190 38.000 -0.582 0.000 1.243 459 I HN 0.996 nan 8.210 nan 0.000 0.425 460 S N 2.541 118.200 115.700 -0.069 0.000 2.548 460 S HA 0.666 5.136 4.470 -0.000 0.000 0.276 460 S C -1.551 173.084 174.600 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 1.036 121.489 120.400 0.089 0.000 2.481 461 D HA 0.611 5.251 4.640 -0.000 0.000 0.244 461 D C 0.621 176.958 176.300 0.062 0.000 1.057 461 D CA -0.592 53.465 54.000 0.095 0.000 0.848 461 D CB 2.248 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 0.448 52.508 52.037 0.038 0.000 0.782 462 A CB 0.155 19.174 19.000 0.030 0.000 0.816 462 A HN 0.457 nan 8.150 nan 0.000 0.477 463 D N -0.679 119.746 120.400 0.042 0.000 2.383 463 D HA 0.360 5.000 4.640 -0.000 0.000 0.248 463 D C -0.411 175.914 176.300 0.042 0.000 1.170 463 D CA -0.121 53.901 54.000 0.037 0.000 0.977 463 D CB 1.004 41.823 40.800 0.031 0.000 1.120 463 D HN 0.169 nan 8.370 nan 0.000 0.481 464 I N 0.444 121.038 120.570 0.039 0.000 2.498 464 I HA 0.319 4.489 4.170 -0.000 0.000 0.301 464 I C -2.568 173.574 176.117 0.042 0.000 0.984 464 I CA -2.702 58.624 61.300 0.043 0.000 1.204 464 I CB 1.328 39.355 38.000 0.044 0.000 1.362 464 I HN 0.013 nan 8.210 nan 0.000 0.471 465 P HA 0.134 nan 4.420 nan 0.000 0.267 465 P C -2.156 175.166 177.300 0.037 0.000 1.200 465 P CA -0.336 62.797 63.100 0.055 0.000 0.772 465 P CB -0.011 31.728 31.700 0.065 0.000 0.855 466 P HA -0.047 nan 4.420 nan 0.000 0.220 466 P C 0.629 177.965 177.300 0.060 0.000 1.152 466 P CA 1.155 64.280 63.100 0.043 0.000 0.812 466 P CB -0.383 31.308 31.700 -0.015 0.000 0.792 467 N N -0.826 117.891 118.700 0.029 0.000 2.653 467 N HA -0.183 4.557 4.740 -0.000 0.000 0.207 467 N C 0.664 176.181 175.510 0.012 0.000 1.074 467 N CA 1.535 54.595 53.050 0.016 0.000 0.951 467 N CB -0.369 38.127 38.487 0.014 0.000 0.956 467 N HN 0.342 nan 8.380 nan 0.000 0.457 468 T N -4.860 109.714 114.554 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 3.131 123.363 120.300 -0.113 0.000 2.452 469 Y HA 0.294 4.844 4.550 -0.000 0.000 0.355 469 Y C -2.200 173.549 175.900 -0.252 0.000 1.266 469 Y CA -0.752 57.288 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 -0.172 nan 4.420 nan 0.000 0.270 470 P C -1.357 175.678 177.300 -0.441 0.000 1.181 470 P CA 1.279 64.057 63.100 -0.537 0.000 0.767 470 P CB 0.122 31.422 31.700 -0.666 0.000 0.799 471 Y N 0.752 121.007 120.300 -0.076 0.000 2.518 471 Y HA 0.557 5.107 4.550 -0.000 0.000 0.332 471 Y C 0.931 176.834 175.900 0.004 0.000 1.276 471 Y CA -0.076 58.013 58.100 -0.019 0.000 1.418 471 Y CB 1.115 39.558 38.460 -0.028 0.000 1.527 471 Y HN 0.100 nan 8.280 nan 0.000 0.549 472 K N 0.752 121.277 120.400 0.209 0.000 2.690 472 K HA 0.388 4.708 4.320 -0.000 0.000 0.264 472 K C -1.929 174.748 176.600 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 1.859 121.834 119.914 0.102 0.000 2.649 473 V HA 0.408 4.528 4.120 -0.000 0.000 0.292 473 V C 0.060 176.197 176.094 0.072 0.000 1.055 473 V CA -0.202 62.145 62.300 0.078 0.000 1.023 473 V CB 1.576 33.431 31.823 0.053 0.000 0.992 473 V HN 0.722 nan 8.190 nan 0.000 0.480 474 S N 4.356 120.098 115.700 0.071 0.000 2.546 474 S HA 0.655 5.125 4.470 -0.000 0.000 0.272 474 S C -0.971 173.679 174.600 0.083 0.000 1.140 474 S CA -0.613 57.630 58.200 0.072 0.000 0.920 474 S CB 1.511 64.750 63.200 0.065 0.000 1.083 474 S HN 0.518 nan 8.310 nan 0.000 0.476 475 L N 2.355 123.636 121.223 0.096 0.000 2.318 475 L HA 0.468 4.808 4.340 -0.000 0.000 0.277 475 L C 1.156 178.103 176.870 0.128 0.000 1.008 475 L CA -0.354 54.561 54.840 0.125 0.000 0.846 475 L CB 1.573 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 1.948 117.724 115.700 0.127 0.000 2.459 476 S HA -0.170 4.300 4.470 -0.000 0.000 0.204 476 S C 1.669 176.340 174.600 0.118 0.000 1.102 476 S CA 1.215 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 1.285 176.662 175.328 0.081 0.000 1.061 477 H CA 0.552 56.564 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 45.524 45.100 0.268 0.000 2.029 478 G HN 0.424 nan 8.290 nan 0.000 0.587 479 S N -0.306 115.503 115.700 0.181 0.000 2.575 479 S HA 0.155 4.625 4.470 -0.000 0.000 0.215 479 S C 0.230 174.920 174.600 0.151 0.000 0.966 479 S CA -0.235 58.067 58.200 0.171 0.000 0.911 479 S CB 0.565 63.834 63.200 0.115 0.000 0.780 479 S HN 0.233 nan 8.310 nan 0.000 0.514 480 D N 0.006 120.485 120.400 0.132 0.000 2.491 480 D HA 0.342 4.982 4.640 -0.000 0.000 0.232 480 D C -1.022 175.291 176.300 0.022 0.000 1.334 480 D CA -0.112 53.922 54.000 0.057 0.000 0.909 480 D CB 1.042 41.853 40.800 0.018 0.000 1.513 480 D HN 0.192 nan 8.370 nan 0.000 0.514 481 L N 0.980 122.201 121.223 -0.004 0.000 3.635 481 L HA 0.219 4.559 4.340 -0.000 0.000 0.338 481 L C -0.577 176.079 176.870 -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 -0.346 114.032 114.554 -0.294 0.000 1.377 482 T HA -0.206 4.144 4.350 -0.000 0.000 0.677 482 T C -0.987 173.268 174.700 -0.742 0.000 0.963 482 T CA 1.333 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 1.974 123.318 121.300 0.075 0.000 3.624 483 W HA 0.556 5.216 4.660 -0.000 0.000 0.312 483 W C -0.278 176.280 176.519 0.064 0.000 1.203 483 W CA -1.052 56.345 57.345 0.087 0.000 1.225 483 W CB 1.661 31.191 29.460 0.117 0.000 1.321 483 W HN 0.551 nan 8.180 nan 0.000 0.506 484 K N 2.314 122.914 120.400 0.333 0.000 2.541 484 K HA 0.778 5.098 4.320 -0.000 0.000 0.250 484 K C -0.353 176.340 176.600 0.155 0.000 0.950 484 K CA -0.568 55.833 56.287 0.189 0.000 0.805 484 K CB 1.509 34.080 32.500 0.118 0.000 1.166 484 K HN 0.535 nan 8.250 nan 0.000 0.430 485 A N 3.626 126.518 122.820 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 0.527 120.744 120.200 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 1.346 31.054 29.700 0.013 0.000 1.226 486 E HN 0.575 nan 8.360 nan 0.000 0.432 487 L N 1.155 122.376 121.223 -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 1.229 43.286 42.059 -0.004 0.000 1.257 487 L HN 0.440 nan 8.230 nan 0.000 0.435 488 D N 0.527 120.906 120.400 -0.034 0.000 2.362 488 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 488 D C 0.982 177.269 176.300 -0.021 0.000 1.132 488 D CA 0.139 54.121 54.000 -0.030 0.000 0.907 488 D CB 1.668 42.444 40.800 -0.041 0.000 1.195 488 D HN 0.664 nan 8.370 nan 0.000 0.429 489 S N 2.982 118.673 115.700 -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 0.841 59.036 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 0.552 nan 8.310 nan 0.000 0.445 490 K N 1.988 122.379 120.400 -0.015 0.000 3.358 490 K HA 0.266 4.586 4.320 -0.000 0.000 0.297 490 K C 1.303 177.887 176.600 -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 31.281 32.500 -0.014 0.000 1.289 490 K HN 0.567 nan 8.250 nan 0.000 0.372 491 G N 0.082 108.864 108.800 -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 1.000 46.076 45.100 -0.039 0.000 1.008 491 G HN 0.476 nan 8.290 nan 0.000 0.777 492 T N 1.279 115.789 114.554 -0.073 0.000 2.685 492 T HA -0.012 4.338 4.350 -0.000 0.000 0.268 492 T C 1.702 176.309 174.700 -0.156 0.000 1.034 492 T CA 2.895 64.922 62.100 -0.122 0.000 1.149 492 T CB -0.673 68.145 68.868 -0.083 0.000 0.860 492 T HN 1.871 nan 8.240 nan 0.000 0.449 493 S N 0.748 116.383 115.700 -0.110 0.000 2.713 493 S HA 0.670 5.140 4.470 -0.000 0.000 0.283 493 S C -0.210 174.329 174.600 -0.101 0.000 1.161 493 S CA -1.012 57.123 58.200 -0.108 0.000 0.999 493 S CB 1.287 64.439 63.200 -0.080 0.000 1.039 493 S HN 0.665 nan 8.310 nan 0.000 0.548 494 M N 0.584 120.128 119.600 -0.093 0.000 2.457 494 M HA 0.577 5.057 4.480 -0.000 0.000 0.300 494 M C -1.883 174.380 176.300 -0.063 0.000 1.141 494 M CA -0.830 54.428 55.300 -0.070 0.000 0.901 494 M CB 1.468 34.027 32.600 -0.068 0.000 1.687 494 M HN 0.522 nan 8.290 nan 0.000 0.449 495 L N 3.787 124.986 121.223 -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 54.099 54.840 -0.039 0.000 0.816 495 L CB 1.088 43.134 42.059 -0.021 0.000 1.197 495 L HN 0.628 nan 8.230 nan 0.000 0.427 496 L N 3.405 124.603 121.223 -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 1.313 43.322 42.059 -0.083 0.000 1.203 496 L HN 0.549 nan 8.230 nan 0.000 0.423 497 S N 5.498 121.326 115.700 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 -0.111 0.000 1.294 498 P CA 0.163 63.132 63.100 -0.219 0.000 0.757 498 P CB 0.439 31.896 31.700 -0.404 0.000 1.377 499 T N -3.830 110.613 114.554 -0.185 0.000 3.416 499 T HA 0.092 4.442 4.350 -0.000 0.000 0.298 499 T C -0.462 174.162 174.700 -0.126 0.000 0.874 499 T CA -0.037 61.999 62.100 -0.106 0.000 0.901 499 T CB -0.284 68.548 68.868 -0.059 0.000 1.215 499 T HN 0.141 nan 8.240 nan 0.000 0.677 500 Q N 0.909 120.596 119.800 -0.188 0.000 2.399 500 Q HA 0.378 4.718 4.340 -0.000 0.000 0.276 500 Q C -0.242 175.668 176.000 -0.149 0.000 1.098 500 Q CA -0.577 55.128 55.803 -0.164 0.000 0.827 500 Q CB 1.853 30.469 28.738 -0.203 0.000 1.386 500 Q HN 0.354 nan 8.270 nan 0.000 0.443 501 Q N 1.373 121.110 119.800 -0.106 0.000 2.282 501 Q HA 0.164 4.504 4.340 -0.000 0.000 0.205 501 Q C 0.058 176.015 176.000 -0.072 0.000 0.915 501 Q CA -0.128 55.630 55.803 -0.074 0.000 0.949 501 Q CB 0.110 28.818 28.738 -0.050 0.000 1.035 501 Q HN 0.560 nan 8.270 nan 0.000 0.484 502 L N 1.995 123.147 121.223 -0.117 0.000 2.587 502 L HA -0.190 4.150 4.340 -0.000 0.000 0.315 502 L C 0.693 177.537 176.870 -0.044 0.000 1.288 502 L CA 0.932 55.699 54.840 -0.122 0.000 0.849 502 L CB 0.178 42.104 42.059 -0.222 0.000 1.080 502 L HN 0.316 nan 8.230 nan 0.000 0.541 503 K N 1.891 122.250 120.400 -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 0.039 56.319 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 2.161 122.605 120.400 0.072 0.000 2.021 504 K HA 0.028 4.348 4.320 -0.000 0.000 0.238 504 K C 0.506 177.182 176.600 0.128 0.000 1.149 504 K CA 0.619 56.960 56.287 0.091 0.000 1.105 504 K CB -1.038 31.494 32.500 0.054 0.000 1.246 504 K HN 0.859 nan 8.250 nan 0.000 0.307 505 G N 3.074 111.989 108.800 0.193 0.000 2.860 505 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.553 505 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.553 505 G C -0.734 174.314 174.900 0.248 0.000 1.439 505 G CA -0.356 44.856 45.100 0.187 0.000 0.879 505 G HN 0.887 nan 8.290 nan 0.000 0.545 506 D N -1.521 118.952 120.400 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 -1.777 39.064 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 -0.629 57.472 58.100 0.002 0.000 1.112 507 Y CB 0.260 38.770 38.460 0.082 0.000 1.342 507 Y HN 0.268 nan 8.280 nan 0.000 0.460 508 S N 4.088 119.768 115.700 -0.033 0.000 2.686 508 S HA 0.771 5.241 4.470 -0.000 0.000 0.270 508 S C -0.553 173.930 174.600 -0.194 0.000 1.194 508 S CA -0.514 57.536 58.200 -0.249 0.000 0.990 508 S CB 1.933 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 0.402 120.735 120.570 -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 -0.769 0.000 1.225 509 I HN 0.705 nan 8.210 nan 0.000 0.435 510 Y N 6.377 126.648 120.300 -0.050 0.000 2.436 510 Y HA 0.350 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 0.025 58.114 58.100 -0.018 0.000 1.294 510 Y CB 1.004 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 5.016 124.992 119.914 0.103 0.000 2.850 511 V HA 0.580 4.700 4.120 -0.000 0.000 0.315 511 V C -0.721 175.421 176.094 0.081 0.000 1.064 511 V CA -1.013 61.325 62.300 0.063 0.000 0.979 511 V CB 1.871 33.699 31.823 0.009 0.000 1.039 511 V HN 0.493 nan 8.190 nan 0.000 0.452 512 L N 3.890 125.155 121.223 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 0.155 55.036 54.840 0.068 0.000 0.912 512 L CB 1.050 43.149 42.059 0.067 0.000 1.294 512 L HN 0.579 nan 8.230 nan 0.000 0.412 513 L N 2.608 123.882 121.223 0.085 0.000 2.293 513 L HA 0.938 5.278 4.340 -0.000 0.000 0.264 513 L C -0.133 176.811 176.870 0.124 0.000 1.029 513 L CA -0.879 54.039 54.840 0.130 0.000 0.897 513 L CB 2.072 44.238 42.059 0.178 0.000 1.497 513 L HN 0.744 nan 8.230 nan 0.000 0.495 514 S N -1.349 114.448 115.700 0.161 0.000 2.565 514 S HA 0.266 4.736 4.470 -0.000 0.000 0.274 514 S C -0.978 173.574 174.600 -0.079 0.000 1.144 514 S CA -0.660 57.574 58.200 0.056 0.000 0.849 514 S CB 2.026 65.246 63.200 0.034 0.000 1.103 514 S HN 0.829 nan 8.310 nan 0.000 0.455 515 D N -0.600 119.709 120.400 -0.151 0.000 2.449 515 D HA 0.408 5.048 4.640 -0.000 0.000 0.255 515 D C 0.827 177.033 176.300 -0.157 0.000 1.121 515 D CA 0.415 54.215 54.000 -0.333 0.000 0.830 515 D CB 0.059 40.660 40.800 -0.332 0.000 1.280 515 D HN 0.508 nan 8.370 nan 0.000 0.522 516 A N -1.101 121.673 122.820 -0.076 0.000 2.295 516 A HA 0.512 4.832 4.320 -0.000 0.000 0.193 516 A C 1.304 178.870 177.584 -0.029 0.000 1.512 516 A CA 1.030 53.044 52.037 -0.039 0.000 1.103 516 A CB 0.723 19.704 19.000 -0.031 0.000 1.331 516 A HN 0.054 nan 8.150 nan 0.000 0.501 517 Q N -2.936 116.845 119.800 -0.033 0.000 7.952 517 Q HA -0.106 4.234 4.340 -0.000 0.000 0.369 517 Q C 0.540 176.536 176.000 -0.007 0.000 0.943 517 Q CA 0.932 56.727 55.803 -0.014 0.000 0.540 517 Q CB -0.754 27.980 28.738 -0.006 0.000 0.157 517 Q HN 0.238 nan 8.270 nan 0.000 0.899 518 N N 0.940 119.637 118.700 -0.005 0.000 2.677 518 N HA -0.355 4.385 4.740 -0.000 0.000 0.230 518 N C 0.016 175.535 175.510 0.014 0.000 1.021 518 N CA 2.079 55.131 53.050 0.003 0.000 1.156 518 N CB -0.700 37.789 38.487 0.003 0.000 1.117 518 N HN 0.628 nan 8.380 nan 0.000 0.614 519 N N -3.088 115.625 118.700 0.021 0.000 2.936 519 N HA -0.167 4.573 4.740 -0.000 0.000 0.236 519 N C -2.320 173.215 175.510 0.042 0.000 0.930 519 N CA 0.514 53.583 53.050 0.031 0.000 0.966 519 N CB -0.934 37.566 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 2.624 122.450 119.800 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 0.485 29.243 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 0.321 177.228 176.870 0.061 0.000 1.797 522 L CA -0.131 54.735 54.840 0.043 0.000 2.814 522 L CB 1.850 43.924 42.059 0.024 0.000 2.634 522 L HN 0.629 nan 8.230 nan 0.000 0.723 523 T N -1.540 113.034 114.554 0.033 0.000 2.640 523 T HA 0.244 4.594 4.350 -0.000 0.000 0.268 523 T C -1.629 173.022 174.700 -0.081 0.000 1.406 523 T CA 0.064 62.184 62.100 0.032 0.000 1.078 523 T CB 0.487 69.356 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 -0.186 0.000 2.530 524 V HA 0.792 4.912 4.120 -0.000 0.000 0.282 524 V C -0.485 175.444 176.094 -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 2.501 120.861 118.700 -0.568 0.000 2.237 526 N HA 0.365 5.105 4.740 -0.000 0.000 0.222 526 N C 0.156 175.180 175.510 -0.811 0.000 1.311 526 N CA 0.520 53.229 53.050 -0.567 0.000 0.880 526 N CB 0.638 38.900 38.487 -0.375 0.000 1.106 526 N HN 0.815 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 -0.627 176.722 177.584 -0.391 0.000 1.135 527 A CA -0.703 50.962 52.037 -0.619 0.000 0.744 527 A CB 0.454 19.062 19.000 -0.654 0.000 1.213 527 A HN 0.424 nan 8.150 nan 0.000 0.434 528 T N 2.709 117.154 114.554 -0.183 0.000 2.727 528 T HA 0.458 4.808 4.350 -0.000 0.000 0.298 528 T C 0.137 174.848 174.700 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 3.650 123.602 119.914 0.063 0.000 2.630 529 V HA 0.710 4.830 4.120 -0.000 0.000 0.305 529 V C 0.344 176.491 176.094 0.087 0.000 1.046 529 V CA -0.952 61.414 62.300 0.110 0.000 0.934 529 V CB 1.313 33.255 31.823 0.198 0.000 1.003 529 V HN 1.140 nan 8.190 nan 0.000 0.451 530 c N 0.812 119.455 118.600 0.072 0.000 2.985 530 c HA 0.674 5.244 4.570 -0.000 0.000 0.332 530 c C 0.142 174.260 174.090 0.047 0.000 1.164 530 c CA -0.908 55.453 56.329 0.053 0.000 1.347 530 c CB 0.659 43.193 42.510 0.040 0.000 1.764 530 c HN 0.767 nan 8.230 nan 0.000 0.489 531 S N 1.069 116.792 115.700 0.038 0.000 2.817 531 S HA 0.300 4.770 4.470 -0.000 0.000 0.333 531 S C 0.207 174.823 174.600 0.027 0.000 1.227 531 S CA 0.809 59.028 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 2.583 121.198 118.600 0.025 0.000 3.271 532 c HA 0.441 5.011 4.570 -0.000 0.000 0.353 532 c C 0.662 174.762 174.090 0.017 0.000 1.510 532 c CA -0.478 55.864 56.329 0.021 0.000 1.149 532 c CB 0.825 43.352 42.510 0.027 0.000 1.713 532 c HN 0.998 nan 8.230 nan 0.000 0.421 533 E N -0.224 119.985 120.200 0.015 0.000 2.694 533 E HA 0.453 4.803 4.350 -0.000 0.000 0.224 533 E C 1.009 177.616 176.600 0.012 0.000 1.068 533 E CA 1.419 57.826 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 -0.321 108.485 108.800 0.010 0.000 3.531 534 G HA2 0.195 4.155 3.960 -0.000 0.000 0.212 534 G HA3 0.195 4.155 3.960 -0.000 0.000 0.212 534 G C -0.260 174.644 174.900 0.006 0.000 1.146 534 G CA -0.291 44.814 45.100 0.009 0.000 0.916 534 G HN -0.032 nan 8.290 nan 0.000 0.637 535 K N 1.383 121.786 120.400 0.005 0.000 2.185 535 K HA 0.623 4.943 4.320 -0.000 0.000 0.269 535 K C 0.113 176.715 176.600 0.003 0.000 0.987 535 K CA -0.612 55.675 56.287 0.000 0.000 0.865 535 K CB 2.136 34.635 32.500 -0.002 0.000 1.090 535 K HN 0.117 nan 8.250 nan 0.000 0.450 536 A N 4.718 127.535 122.820 -0.004 0.000 2.532 536 A HA -0.049 4.271 4.320 -0.000 0.000 0.269 536 A C 0.030 177.617 177.584 0.004 0.000 1.079 536 A CA 0.461 52.496 52.037 -0.002 0.000 0.800 536 A CB -0.709 18.277 19.000 -0.023 0.000 1.000 536 A HN 0.789 nan 8.150 nan 0.000 0.522 537 I N 1.651 122.229 120.570 0.014 0.000 2.822 537 I HA 0.413 4.583 4.170 -0.000 0.000 0.312 537 I C 0.533 176.659 176.117 0.016 0.000 1.011 537 I CA -1.122 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 3.505 123.913 120.400 0.012 0.000 2.401 538 K HA 0.135 4.455 4.320 -0.000 0.000 0.278 538 K C -0.296 176.312 176.600 0.015 0.000 1.018 538 K CA -0.348 55.946 56.287 0.012 0.000 0.981 538 K CB 0.783 33.288 32.500 0.008 0.000 0.933 538 K HN 0.706 nan 8.250 nan 0.000 0.477 539 c N 1.909 120.518 118.600 0.015 0.000 2.369 539 c HA 0.313 4.883 4.570 -0.000 0.000 0.089 539 c C 0.112 174.210 174.090 0.014 0.000 2.614 539 c CA -0.297 56.043 56.329 0.017 0.000 1.724 539 c CB 0.704 43.226 42.510 0.020 0.000 2.453 539 c HN 0.959 nan 8.230 nan 0.000 0.263 540 Q N 0.000 119.808 119.800 0.013 0.000 2.315 540 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 540 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 540 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 540 Q HN 0.000 nan 8.270 nan 0.000 0.481