REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1q5c_1_A DATA FIRST_RESID 1 DATA SEQUENCE DWVIPPIKVS ENERGPFPKR LVQIKSNKDR FNKVYYSITG QGADNPPQGV DATA SEQUENCE FRIEWETGWM LVTRPLDREE YDKYVLSSHA VSENGSPVEE PMEITINVID DATA SEQUENCE QNDNRPKFTQ DVFRGSVREG VQPGTQVMAV SATDEDDNID SLNGVLSYSI DATA SEQUENCE LKQDPEEPIP NLFTINRETG VISLIGTGLD REKFPEYTLT VQATDLEGAG DATA SEQUENCE LSVEGKAIIQ ITDANDNAPI FDPKTYTALV PENEIGFEVQ RLSVTDLDMP DATA SEQUENCE GTPAWQAVYK IRVNEGGFFN ITTDPESNQG ILTTAKGLDF ELRKQYVLQI DATA SEQUENCE TVENAEPFSV PLPTSTATVT VTVEDVNEAP FFVPAVSRVD VSEDLSRGEK DATA SEQUENCE IISLVAQDPD KQQIQKLSYF IGNDPARWLT VNKDNGIVTG NGNLDRESEY DATA SEQUENCE VKNNTYTVIM LVTDDGVSVG TGTGTLILHV LDVNDNGPVP SPRVFTMcDQ DATA SEQUENCE NPEPQVLTIS DADIPPNTYP YKVSLSHGSD LTWKAELDSK GTSMLLSPTQ DATA SEQUENCE QLKKGDYSIY VLLSDAQNNP QLTVVNATVc ScEGKAIKcQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.262 176.300 -0.063 0.000 2.045 1 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 1 D CB 0.000 40.839 40.800 0.065 0.000 0.688 2 W N 2.190 123.484 121.300 -0.010 0.000 2.289 2 W HA 0.432 5.093 4.660 -0.000 0.000 0.342 2 W C 0.755 177.265 176.519 -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 30.053 29.460 -0.014 0.000 1.336 2 W HN 0.281 nan 8.180 nan 0.000 0.371 3 V N 1.837 121.883 119.914 0.220 0.000 4.690 3 V HA 0.397 4.517 4.120 -0.000 0.000 0.267 3 V C -0.003 176.157 176.094 0.111 0.000 1.088 3 V CA -0.394 61.983 62.300 0.127 0.000 0.686 3 V CB 0.314 32.176 31.823 0.066 0.000 1.152 3 V HN 0.315 nan 8.190 nan 0.000 0.353 4 I N 0.881 121.488 120.570 0.061 0.000 2.563 4 I HA 0.547 4.717 4.170 -0.000 0.000 0.285 4 I C -2.733 173.399 176.117 0.025 0.000 1.123 4 I CA -2.016 59.304 61.300 0.034 0.000 1.059 4 I CB 1.865 39.867 38.000 0.004 0.000 1.229 4 I HN 0.605 nan 8.210 nan 0.000 0.442 5 P HA 0.231 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 -0.476 62.639 63.100 0.026 0.000 0.770 5 P CB -0.395 31.323 31.700 0.030 0.000 0.836 6 P HA 0.176 nan 4.420 nan 0.000 0.269 6 P C -0.535 176.771 177.300 0.011 0.000 1.215 6 P CA 0.228 63.334 63.100 0.009 0.000 0.780 6 P CB 0.373 32.083 31.700 0.016 0.000 0.898 7 I N 1.906 122.480 120.570 0.006 0.000 2.354 7 I HA 0.219 4.389 4.170 -0.000 0.000 0.286 7 I C 0.045 176.178 176.117 0.028 0.000 1.007 7 I CA -1.207 60.102 61.300 0.015 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 5.800 126.221 120.400 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 -0.454 55.859 56.287 0.043 0.000 0.969 8 K CB 0.768 33.290 32.500 0.037 0.000 0.954 8 K HN 0.310 nan 8.250 nan 0.000 0.474 9 V N 0.993 120.945 119.914 0.063 0.000 2.808 9 V HA 0.337 4.457 4.120 -0.000 0.000 0.308 9 V C -0.215 175.922 176.094 0.071 0.000 1.099 9 V CA -1.025 61.319 62.300 0.072 0.000 0.920 9 V CB 2.119 33.999 31.823 0.095 0.000 1.014 9 V HN 0.877 nan 8.190 nan 0.000 0.425 10 S N 2.166 117.904 115.700 0.063 0.000 2.614 10 S HA 0.363 4.833 4.470 -0.000 0.000 0.265 10 S C -0.187 174.455 174.600 0.070 0.000 1.303 10 S CA -0.315 57.920 58.200 0.059 0.000 1.000 10 S CB 0.969 64.197 63.200 0.046 0.000 0.935 10 S HN 0.898 nan 8.310 nan 0.000 0.551 11 E N 1.202 121.441 120.200 0.065 0.000 2.248 11 E HA 0.255 4.605 4.350 -0.000 0.000 0.272 11 E C -0.632 176.005 176.600 0.061 0.000 1.008 11 E CA -0.393 56.048 56.400 0.068 0.000 0.856 11 E CB 0.236 29.975 29.700 0.066 0.000 1.120 11 E HN 0.833 nan 8.360 nan 0.000 0.397 12 N N 1.769 120.506 118.700 0.061 0.000 2.725 12 N HA -0.229 4.511 4.740 -0.000 0.000 0.251 12 N C -0.750 174.805 175.510 0.074 0.000 1.031 12 N CA 0.577 53.662 53.050 0.058 0.000 0.720 12 N CB -0.727 37.787 38.487 0.045 0.000 0.930 12 N HN 0.624 nan 8.380 nan 0.000 0.543 13 E N 0.949 121.212 120.200 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 1.194 121.755 120.500 0.102 0.000 2.725 14 R HA 0.446 4.786 4.340 -0.000 0.000 0.276 14 R C -1.127 175.134 176.300 -0.064 0.000 1.189 14 R CA 0.316 56.471 56.100 0.091 0.000 1.083 14 R CB 1.075 31.426 30.300 0.085 0.000 1.262 14 R HN 0.630 nan 8.270 nan 0.000 0.415 15 G N 2.884 111.555 108.800 -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 0.527 nan 4.420 nan 0.000 0.293 16 P C -1.351 175.676 177.300 -0.454 0.000 1.313 16 P CA -0.139 62.790 63.100 -0.284 0.000 0.787 16 P CB 1.031 32.623 31.700 -0.179 0.000 0.910 17 F N 3.767 123.688 119.950 -0.048 0.000 2.377 17 F HA 0.401 4.928 4.527 -0.000 0.000 0.328 17 F C -1.009 174.756 175.800 -0.058 0.000 1.094 17 F CA -1.411 56.554 58.000 -0.057 0.000 1.093 17 F CB 0.020 38.985 39.000 -0.058 0.000 1.214 17 F HN 0.270 nan 8.300 nan 0.000 0.518 18 P HA 0.268 nan 4.420 nan 0.000 0.286 18 P C -1.533 175.736 177.300 -0.050 0.000 1.293 18 P CA -0.362 62.792 63.100 0.090 0.000 0.770 18 P CB 0.544 32.268 31.700 0.041 0.000 1.206 19 K N 0.209 120.613 120.400 0.007 0.000 2.615 19 K HA 0.313 4.633 4.320 -0.000 0.000 0.249 19 K C -0.844 175.743 176.600 -0.021 0.000 0.977 19 K CA -0.290 55.964 56.287 -0.055 0.000 0.833 19 K CB 1.173 33.655 32.500 -0.031 0.000 1.208 19 K HN 0.182 nan 8.250 nan 0.000 0.443 20 R N 3.482 123.918 120.500 -0.106 0.000 2.442 20 R HA 0.196 4.536 4.340 -0.000 0.000 0.291 20 R C 0.371 176.688 176.300 0.028 0.000 1.069 20 R CA -0.097 55.945 56.100 -0.097 0.000 1.022 20 R CB 0.548 30.593 30.300 -0.426 0.000 0.976 20 R HN 0.462 nan 8.270 nan 0.000 0.443 21 L N 2.949 124.256 121.223 0.141 0.000 2.379 21 L HA 0.264 4.604 4.340 -0.000 0.000 0.190 21 L C 0.319 177.308 176.870 0.199 0.000 1.111 21 L CA 0.849 55.775 54.840 0.142 0.000 0.820 21 L CB 0.133 42.274 42.059 0.137 0.000 1.046 21 L HN 0.357 nan 8.230 nan 0.000 0.485 22 V N -1.551 118.522 119.914 0.264 0.000 3.258 22 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 22 V C -1.885 174.252 176.094 0.071 0.000 1.376 22 V CA -0.623 61.801 62.300 0.207 0.000 1.063 22 V CB 2.254 34.101 31.823 0.041 0.000 1.103 22 V HN 0.331 nan 8.190 nan 0.000 0.451 23 Q N 3.255 122.821 119.800 -0.389 0.000 2.340 23 Q HA 0.720 5.060 4.340 -0.000 0.000 0.268 23 Q C -1.249 174.411 176.000 -0.567 0.000 1.031 23 Q CA -0.711 54.579 55.803 -0.855 0.000 0.804 23 Q CB 1.921 29.500 28.738 -1.931 0.000 1.286 23 Q HN 0.840 nan 8.270 nan 0.000 0.448 24 I N 0.037 120.280 120.570 -0.545 0.000 2.603 24 I HA 0.695 4.865 4.170 -0.000 0.000 0.300 24 I C -1.327 174.447 176.117 -0.572 0.000 1.017 24 I CA -0.916 60.112 61.300 -0.453 0.000 1.098 24 I CB 2.029 39.816 38.000 -0.355 0.000 1.279 24 I HN 0.531 nan 8.210 nan 0.000 0.437 25 K N 3.585 123.775 120.400 -0.350 0.000 2.482 25 K HA 0.438 4.758 4.320 -0.000 0.000 0.251 25 K C -1.268 175.326 176.600 -0.010 0.000 0.936 25 K CA -0.458 55.699 56.287 -0.218 0.000 0.791 25 K CB 2.251 34.651 32.500 -0.166 0.000 1.213 25 K HN 0.812 nan 8.250 nan 0.000 0.428 26 S N 1.590 117.410 115.700 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 -0.638 57.667 58.200 0.176 0.000 1.070 26 S CB 0.472 63.814 63.200 0.236 0.000 1.004 26 S HN 0.827 nan 8.310 nan 0.000 0.493 27 N N 2.902 121.642 118.700 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 -0.216 52.862 53.050 0.047 0.000 0.867 27 N CB 0.012 38.513 38.487 0.024 0.000 0.974 27 N HN 0.413 nan 8.380 nan 0.000 0.477 28 K N 1.144 121.585 120.400 0.069 0.000 2.630 28 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 28 K C -0.004 176.655 176.600 0.098 0.000 1.024 28 K CA 0.384 56.715 56.287 0.073 0.000 1.157 28 K CB 0.032 32.568 32.500 0.061 0.000 0.899 28 K HN 0.449 nan 8.250 nan 0.000 0.501 29 D N -1.532 118.924 120.400 0.092 0.000 2.339 29 D HA -0.092 4.548 4.640 -0.000 0.000 0.217 29 D C 1.550 177.904 176.300 0.090 0.000 1.050 29 D CA -0.074 53.982 54.000 0.094 0.000 0.856 29 D CB 0.184 41.033 40.800 0.081 0.000 0.922 29 D HN 0.034 nan 8.370 nan 0.000 0.518 30 R N -0.581 119.977 120.500 0.097 0.000 2.127 30 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 30 R C 1.353 177.717 176.300 0.106 0.000 1.134 30 R CA 1.110 57.260 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 0.067 120.025 119.950 0.013 0.000 2.147 31 F HA 0.142 4.669 4.527 -0.000 0.000 0.291 31 F C 0.867 176.675 175.800 0.014 0.000 1.093 31 F CA 0.913 58.920 58.000 0.012 0.000 1.263 31 F CB 0.070 39.077 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 -0.794 52.223 53.050 -0.054 0.000 0.752 32 N CB 1.185 39.775 38.487 0.171 0.000 1.863 32 N HN -0.041 nan 8.380 nan 0.000 0.636 33 K N 0.480 120.903 120.400 0.039 0.000 2.205 33 K HA 0.459 4.779 4.320 -0.000 0.000 0.279 33 K C -1.119 175.525 176.600 0.074 0.000 1.027 33 K CA -0.506 55.820 56.287 0.065 0.000 0.932 33 K CB 0.652 33.212 32.500 0.100 0.000 1.032 33 K HN 0.294 nan 8.250 nan 0.000 0.466 34 V N 4.678 124.601 119.914 0.015 0.000 2.483 34 V HA 0.192 4.312 4.120 -0.000 0.000 0.295 34 V C -0.964 175.028 176.094 -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 4.801 124.964 120.300 -0.229 0.000 2.369 35 Y HA 0.511 5.061 4.550 -0.000 0.000 0.337 35 Y C -0.574 175.236 175.900 -0.150 0.000 0.961 35 Y CA -0.702 57.356 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 4.536 124.802 120.300 -0.055 0.000 2.336 36 Y HA 0.377 4.927 4.550 -0.000 0.000 0.335 36 Y C 0.710 176.594 175.900 -0.027 0.000 1.046 36 Y CA -0.048 58.045 58.100 -0.011 0.000 1.198 36 Y CB 0.945 39.380 38.460 -0.041 0.000 1.182 36 Y HN 0.642 nan 8.280 nan 0.000 0.502 37 S N 4.060 119.929 115.700 0.283 0.000 2.811 37 S HA 0.848 5.318 4.470 -0.000 0.000 0.311 37 S C -1.121 173.636 174.600 0.262 0.000 1.152 37 S CA -0.886 57.481 58.200 0.279 0.000 0.864 37 S CB 2.434 65.847 63.200 0.354 0.000 1.226 37 S HN 0.693 nan 8.310 nan 0.000 0.541 38 I N 0.664 121.387 120.570 0.254 0.000 2.800 38 I HA 0.547 4.717 4.170 -0.000 0.000 0.294 38 I C -1.728 174.508 176.117 0.198 0.000 1.538 38 I CA -0.223 61.184 61.300 0.179 0.000 1.010 38 I CB 1.999 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 2.429 117.088 114.554 0.175 0.000 2.906 39 T HA 1.002 5.352 4.350 -0.000 0.000 0.295 39 T C -0.265 174.498 174.700 0.104 0.000 1.075 39 T CA -0.130 62.071 62.100 0.167 0.000 1.005 39 T CB 2.019 71.032 68.868 0.241 0.000 1.136 39 T HN 1.646 nan 8.240 nan 0.000 0.498 40 G N 0.542 109.397 108.800 0.093 0.000 2.346 40 G HA2 0.216 4.176 3.960 -0.000 0.000 0.294 40 G HA3 0.216 4.176 3.960 -0.000 0.000 0.294 40 G C -1.611 173.330 174.900 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 -0.062 119.765 119.800 0.044 0.000 2.313 41 Q HA 0.423 4.763 4.340 -0.000 0.000 0.266 41 Q C 1.304 177.377 176.000 0.122 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 1.366 110.257 108.800 0.152 0.000 2.241 42 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.244 42 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.244 42 G C 0.437 175.537 174.900 0.332 0.000 0.998 42 G CA 0.323 45.639 45.100 0.360 0.000 0.621 42 G HN 0.744 nan 8.290 nan 0.000 0.519 43 A N 0.768 123.717 122.820 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 1.500 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 0.608 nan 8.150 nan 0.000 0.419 44 D N -0.324 120.139 120.400 0.104 0.000 2.346 44 D HA 0.039 4.679 4.640 -0.000 0.000 0.206 44 D C -0.246 176.091 176.300 0.061 0.000 1.001 44 D CA 0.024 54.072 54.000 0.080 0.000 0.871 44 D CB -0.417 40.431 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 -2.642 172.887 175.510 0.031 0.000 1.133 45 N CA -1.648 51.426 53.050 0.042 0.000 0.961 45 N CB 1.037 39.545 38.487 0.036 0.000 1.186 45 N HN -0.096 nan 8.380 nan 0.000 0.493 46 P HA 0.049 nan 4.420 nan 0.000 0.260 46 P C -2.349 174.920 177.300 -0.051 0.000 1.172 46 P CA -0.322 62.781 63.100 0.005 0.000 0.760 46 P CB -0.197 31.516 31.700 0.021 0.000 0.773 47 P HA 0.010 nan 4.420 nan 0.000 0.264 47 P C -0.428 176.887 177.300 0.025 0.000 1.236 47 P CA 0.448 63.534 63.100 -0.022 0.000 0.811 47 P CB 0.069 31.738 31.700 -0.053 0.000 0.840 48 Q N 2.067 121.881 119.800 0.024 0.000 2.332 48 Q HA 0.415 4.755 4.340 -0.000 0.000 0.263 48 Q C 1.250 177.263 176.000 0.021 0.000 0.979 48 Q CA 0.145 55.970 55.803 0.037 0.000 0.885 48 Q CB 0.381 29.139 28.738 0.033 0.000 1.218 48 Q HN 0.677 nan 8.270 nan 0.000 0.405 49 G N 1.159 109.982 108.800 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 0.424 175.270 174.900 -0.089 0.000 1.018 49 G CA 0.163 45.263 45.100 0.000 0.000 0.728 49 G HN 0.481 nan 8.290 nan 0.000 0.508 50 V N -1.357 118.476 119.914 -0.135 0.000 2.649 50 V HA 0.343 4.463 4.120 -0.000 0.000 0.248 50 V C 0.976 176.583 176.094 -0.813 0.000 1.054 50 V CA 1.502 63.497 62.300 -0.508 0.000 1.073 50 V CB -0.380 31.038 31.823 -0.674 0.000 0.699 50 V HN 0.345 nan 8.190 nan 0.000 0.463 51 F N 0.408 120.328 119.950 -0.051 0.000 2.563 51 F HA 0.787 5.314 4.527 -0.000 0.000 0.316 51 F C 0.129 175.938 175.800 0.014 0.000 1.076 51 F CA -1.221 56.762 58.000 -0.028 0.000 0.921 51 F CB 1.649 40.621 39.000 -0.046 0.000 1.209 51 F HN -0.006 nan 8.300 nan 0.000 0.462 52 R N 1.795 122.414 120.500 0.198 0.000 2.680 52 R HA 0.830 5.170 4.340 -0.000 0.000 0.269 52 R C -2.179 174.215 176.300 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 32.825 30.300 0.115 0.000 1.241 52 R HN 0.796 nan 8.270 nan 0.000 0.463 53 I N 0.689 121.349 120.570 0.151 0.000 2.646 53 I HA 0.292 4.462 4.170 -0.000 0.000 0.299 53 I C -0.562 175.644 176.117 0.148 0.000 1.036 53 I CA -1.065 60.319 61.300 0.141 0.000 1.074 53 I CB 2.393 40.463 38.000 0.117 0.000 1.258 53 I HN 0.724 nan 8.210 nan 0.000 0.430 54 E N 8.126 128.399 120.200 0.121 0.000 1.932 54 E HA -0.013 4.337 4.350 -0.000 0.000 0.275 54 E C 0.481 177.068 176.600 -0.022 0.000 1.159 54 E CA -0.359 56.074 56.400 0.056 0.000 0.905 54 E CB 0.189 29.907 29.700 0.029 0.000 1.059 54 E HN 0.689 nan 8.360 nan 0.000 0.400 55 W N 4.105 125.336 121.300 -0.114 0.000 2.279 55 W HA -0.325 4.335 4.660 -0.000 0.000 0.298 55 W C 0.921 177.365 176.519 -0.125 0.000 1.228 55 W CA 1.514 58.636 57.345 -0.371 0.000 1.230 55 W CB -0.392 28.452 29.460 -1.027 0.000 1.138 55 W HN 0.490 nan 8.180 nan 0.000 0.532 56 E N 0.511 120.276 120.200 -0.726 0.000 2.389 56 E HA -0.082 4.268 4.350 -0.000 0.000 0.199 56 E C 2.322 178.812 176.600 -0.185 0.000 0.978 56 E CA 1.428 57.489 56.400 -0.565 0.000 0.912 56 E CB 0.128 29.130 29.700 -1.163 0.000 0.907 56 E HN 0.261 nan 8.360 nan 0.000 0.494 57 T N -3.794 110.662 114.554 -0.162 0.000 3.021 57 T HA 0.262 4.612 4.350 -0.000 0.000 0.245 57 T C 1.493 176.011 174.700 -0.302 0.000 1.028 57 T CA 0.581 62.606 62.100 -0.125 0.000 1.139 57 T CB 0.620 69.517 68.868 0.050 0.000 0.884 57 T HN 0.188 nan 8.240 nan 0.000 0.457 58 G N 0.462 109.081 108.800 -0.301 0.000 2.135 58 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.183 58 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.183 58 G C -0.311 174.324 174.900 -0.441 0.000 1.004 58 G CA -0.535 44.204 45.100 -0.601 0.000 0.677 58 G HN 0.542 nan 8.290 nan 0.000 0.512 59 W N -0.168 121.036 121.300 -0.161 0.000 2.376 59 W HA 0.768 5.428 4.660 -0.000 0.000 0.322 59 W C 0.667 177.152 176.519 -0.057 0.000 1.160 59 W CA -0.899 56.384 57.345 -0.103 0.000 1.218 59 W CB 1.129 30.542 29.460 -0.079 0.000 1.205 59 W HN 0.132 nan 8.180 nan 0.000 0.559 60 M N 4.318 124.099 119.600 0.300 0.000 2.364 60 M HA 0.584 5.064 4.480 -0.000 0.000 0.334 60 M C -1.311 175.117 176.300 0.212 0.000 1.107 60 M CA -0.467 54.951 55.300 0.197 0.000 0.988 60 M CB 0.944 33.617 32.600 0.122 0.000 1.673 60 M HN 0.341 nan 8.290 nan 0.000 0.441 61 L N 3.610 124.947 121.223 0.191 0.000 2.350 61 L HA 0.759 5.099 4.340 -0.000 0.000 0.260 61 L C -0.929 176.039 176.870 0.164 0.000 1.015 61 L CA -1.203 53.729 54.840 0.153 0.000 0.821 61 L CB 1.863 43.976 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 33.522 31.823 0.022 0.000 0.982 62 V HN 0.925 nan 8.190 nan 0.000 0.452 63 T N 6.474 120.867 114.554 -0.268 0.000 3.044 63 T HA 0.266 4.616 4.350 -0.000 0.000 0.255 63 T C 0.660 175.019 174.700 -0.569 0.000 1.073 63 T CA 0.872 62.844 62.100 -0.214 0.000 1.125 63 T CB -0.154 68.594 68.868 -0.200 0.000 0.908 63 T HN 0.855 nan 8.240 nan 0.000 0.480 64 R N 0.074 120.081 120.500 -0.821 0.000 2.766 64 R HA 0.570 4.910 4.340 -0.000 0.000 0.270 64 R C -3.344 172.430 176.300 -0.875 0.000 1.035 64 R CA -1.918 53.453 56.100 -1.215 0.000 0.911 64 R CB 0.239 30.161 30.300 -0.630 0.000 1.243 64 R HN -0.156 nan 8.270 nan 0.000 0.460 65 P HA 0.151 nan 4.420 nan 0.000 0.270 65 P C -0.967 176.255 177.300 -0.129 0.000 1.223 65 P CA -0.186 62.798 63.100 -0.193 0.000 0.785 65 P CB 0.409 32.067 31.700 -0.070 0.000 0.923 66 L N -0.599 120.609 121.223 -0.024 0.000 2.376 66 L HA 0.743 5.083 4.340 -0.000 0.000 0.258 66 L C -0.634 176.279 176.870 0.072 0.000 1.013 66 L CA -0.893 53.965 54.840 0.030 0.000 0.822 66 L CB 1.977 44.068 42.059 0.053 0.000 1.388 66 L HN 0.118 nan 8.230 nan 0.000 0.413 67 D N -0.355 120.111 120.400 0.110 0.000 2.505 67 D HA 0.301 4.941 4.640 -0.000 0.000 0.250 67 D C 0.827 177.204 176.300 0.128 0.000 1.164 67 D CA -0.754 53.304 54.000 0.096 0.000 0.870 67 D CB 1.555 42.398 40.800 0.072 0.000 1.160 67 D HN 0.630 nan 8.370 nan 0.000 0.549 68 R N 2.555 123.124 120.500 0.115 0.000 2.127 68 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 68 R C 0.902 177.247 176.300 0.076 0.000 1.134 68 R CA 1.223 57.396 56.100 0.121 0.000 0.975 68 R CB -0.180 30.176 30.300 0.093 0.000 0.865 68 R HN 0.250 nan 8.270 nan 0.000 0.447 69 E N 0.689 120.917 120.200 0.047 0.000 2.209 69 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 69 E C 1.659 178.243 176.600 -0.026 0.000 0.993 69 E CA 1.628 58.034 56.400 0.010 0.000 0.819 69 E CB 0.025 29.730 29.700 0.008 0.000 0.745 69 E HN 0.603 nan 8.360 nan 0.000 0.477 70 E N -1.421 118.777 120.200 -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 0.400 120.727 120.300 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 -0.840 57.254 58.100 -0.009 0.000 1.112 71 Y CB 1.637 40.012 38.460 -0.142 0.000 1.170 71 Y HN 0.105 nan 8.280 nan 0.000 0.447 72 D N 1.098 121.598 120.400 0.166 0.000 2.349 72 D HA 0.105 4.745 4.640 -0.000 0.000 0.214 72 D C 0.025 176.439 176.300 0.190 0.000 1.063 72 D CA 0.207 54.304 54.000 0.162 0.000 0.847 72 D CB 0.680 41.532 40.800 0.086 0.000 0.933 72 D HN 0.446 nan 8.370 nan 0.000 0.513 73 K N -0.919 119.604 120.400 0.205 0.000 2.610 73 K HA 0.347 4.667 4.320 -0.000 0.000 0.278 73 K C -2.147 174.538 176.600 0.141 0.000 0.964 73 K CA -0.665 55.755 56.287 0.222 0.000 0.859 73 K CB 1.217 33.781 32.500 0.106 0.000 1.434 73 K HN -0.154 nan 8.250 nan 0.000 0.410 74 Y N -0.068 120.233 120.300 0.001 0.000 2.553 74 Y HA 0.574 5.124 4.550 -0.000 0.000 0.347 74 Y C -0.816 175.026 175.900 -0.096 0.000 1.019 74 Y CA -0.815 57.247 58.100 -0.062 0.000 1.032 74 Y CB 2.453 40.819 38.460 -0.157 0.000 1.284 74 Y HN 0.178 nan 8.280 nan 0.000 0.466 75 V N 4.231 124.176 119.914 0.052 0.000 2.638 75 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 75 V C -0.793 175.291 176.094 -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 2.486 123.679 121.223 -0.050 0.000 2.350 76 L HA 0.722 5.062 4.340 -0.000 0.000 0.260 76 L C -0.319 176.517 176.870 -0.055 0.000 1.015 76 L CA -0.602 54.207 54.840 -0.053 0.000 0.821 76 L CB 2.389 44.384 42.059 -0.107 0.000 1.370 76 L HN 0.578 nan 8.230 nan 0.000 0.416 77 S N 0.484 116.152 115.700 -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 1.152 64.329 63.200 -0.038 0.000 1.007 77 S HN 0.638 nan 8.310 nan 0.000 0.475 78 S N 4.701 120.170 115.700 -0.385 0.000 2.525 78 S HA 0.688 5.158 4.470 -0.000 0.000 0.290 78 S C -0.822 173.435 174.600 -0.571 0.000 1.152 78 S CA -0.771 57.206 58.200 -0.371 0.000 1.072 78 S CB 0.831 63.949 63.200 -0.137 0.000 1.027 78 S HN 0.792 nan 8.310 nan 0.000 0.500 79 H N 0.236 119.385 119.070 0.132 0.000 2.894 79 H HA 0.800 5.356 4.556 -0.000 0.000 0.368 79 H C -0.847 174.591 175.328 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 1.590 124.562 122.820 0.253 0.000 2.547 80 A HA 0.476 4.796 4.320 -0.000 0.000 0.279 80 A C -0.560 177.060 177.584 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 0.636 120.586 119.914 0.060 0.000 2.994 81 V HA 0.947 5.067 4.120 -0.000 0.000 0.318 81 V C 0.418 176.539 176.094 0.044 0.000 1.085 81 V CA -0.231 62.100 62.300 0.051 0.000 0.998 81 V CB 1.497 33.346 31.823 0.043 0.000 1.063 81 V HN 1.308 nan 8.190 nan 0.000 0.447 82 S N 0.559 116.287 115.700 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 64.625 63.200 0.107 0.000 0.973 82 S HN 0.788 nan 8.310 nan 0.000 0.544 83 E N 2.033 122.280 120.200 0.078 0.000 2.077 83 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 83 E C 2.056 178.671 176.600 0.026 0.000 0.989 83 E CA 1.511 57.937 56.400 0.042 0.000 0.800 83 E CB -0.699 29.032 29.700 0.051 0.000 0.746 83 E HN 0.876 nan 8.360 nan 0.000 0.452 84 N N 0.050 118.790 118.700 0.067 0.000 2.192 84 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 84 N C 1.353 176.870 175.510 0.013 0.000 1.013 84 N CA 1.690 54.772 53.050 0.053 0.000 0.863 84 N CB -0.011 38.533 38.487 0.095 0.000 0.990 84 N HN 0.259 nan 8.380 nan 0.000 0.430 85 G N -1.066 107.738 108.800 0.006 0.000 2.227 85 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.168 85 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.168 85 G C -0.354 174.537 174.900 -0.014 0.000 1.006 85 G CA 0.011 45.099 45.100 -0.021 0.000 0.684 85 G HN 0.429 nan 8.290 nan 0.000 0.489 86 S N 1.754 117.454 115.700 -0.000 0.000 2.541 86 S HA 0.667 5.137 4.470 -0.000 0.000 0.283 86 S C -2.378 172.226 174.600 0.007 0.000 1.196 86 S CA -0.977 57.220 58.200 -0.005 0.000 1.062 86 S CB 2.148 65.338 63.200 -0.017 0.000 1.009 86 S HN 0.131 nan 8.310 nan 0.000 0.502 87 P HA 0.159 nan 4.420 nan 0.000 0.272 87 P C 0.171 177.488 177.300 0.027 0.000 1.223 87 P CA -0.285 62.833 63.100 0.029 0.000 0.784 87 P CB 0.643 32.361 31.700 0.029 0.000 0.923 88 V N -0.171 119.769 119.914 0.043 0.000 3.219 88 V HA 0.189 4.309 4.120 -0.000 0.000 0.240 88 V C 0.469 176.591 176.094 0.046 0.000 1.222 88 V CA 0.873 63.195 62.300 0.036 0.000 1.181 88 V CB -0.342 31.506 31.823 0.042 0.000 0.941 88 V HN 0.376 nan 8.190 nan 0.000 0.471 89 E N 0.865 121.106 120.200 0.068 0.000 2.212 89 E HA 0.506 4.856 4.350 -0.000 0.000 0.268 89 E C -0.925 175.722 176.600 0.079 0.000 0.902 89 E CA -0.785 55.657 56.400 0.070 0.000 0.779 89 E CB 2.333 32.082 29.700 0.081 0.000 1.172 89 E HN 0.217 nan 8.360 nan 0.000 0.409 90 E N 2.738 122.976 120.200 0.063 0.000 2.465 90 E HA 0.100 4.450 4.350 -0.000 0.000 0.260 90 E C -2.195 174.449 176.600 0.073 0.000 0.980 90 E CA -1.095 55.344 56.400 0.066 0.000 0.927 90 E CB 0.139 29.867 29.700 0.046 0.000 0.934 90 E HN 0.121 nan 8.360 nan 0.000 0.459 91 P HA -0.062 nan 4.420 nan 0.000 0.274 91 P C -0.633 176.659 177.300 -0.013 0.000 1.248 91 P CA 0.541 63.669 63.100 0.047 0.000 0.827 91 P CB 0.389 32.151 31.700 0.104 0.000 0.972 92 M N 0.375 119.925 119.600 -0.083 0.000 2.224 92 M HA 0.156 4.636 4.480 -0.000 0.000 0.281 92 M C -0.301 175.957 176.300 -0.070 0.000 1.025 92 M CA -0.528 54.740 55.300 -0.054 0.000 0.954 92 M CB 1.922 34.498 32.600 -0.040 0.000 1.639 92 M HN 0.361 nan 8.290 nan 0.000 0.461 93 E N 3.679 123.855 120.200 -0.039 0.000 2.413 93 E HA 0.322 4.672 4.350 -0.000 0.000 0.263 93 E C -1.405 175.170 176.600 -0.042 0.000 1.015 93 E CA 0.307 56.685 56.400 -0.036 0.000 0.916 93 E CB 0.865 30.556 29.700 -0.015 0.000 0.947 93 E HN 0.570 nan 8.360 nan 0.000 0.440 94 I N 2.962 123.501 120.570 -0.051 0.000 2.569 94 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 94 I C -0.794 175.285 176.117 -0.063 0.000 1.088 94 I CA -0.611 60.652 61.300 -0.062 0.000 1.047 94 I CB 2.445 40.391 38.000 -0.090 0.000 1.237 94 I HN 0.434 nan 8.210 nan 0.000 0.421 95 T N 6.447 120.972 114.554 -0.049 0.000 2.863 95 T HA 0.697 5.047 4.350 -0.000 0.000 0.285 95 T C -0.430 174.247 174.700 -0.037 0.000 1.009 95 T CA -0.485 61.595 62.100 -0.033 0.000 0.989 95 T CB 1.921 70.787 68.868 -0.004 0.000 1.004 95 T HN 0.272 nan 8.240 nan 0.000 0.455 96 I N 2.968 123.526 120.570 -0.020 0.000 2.499 96 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 96 I C -0.684 175.481 176.117 0.080 0.000 1.048 96 I CA -0.969 60.328 61.300 -0.005 0.000 1.062 96 I CB 1.882 39.816 38.000 -0.109 0.000 1.238 96 I HN 0.459 nan 8.210 nan 0.000 0.426 97 N N 5.451 124.195 118.700 0.074 0.000 2.400 97 N HA 0.393 5.133 4.740 -0.000 0.000 0.288 97 N C -0.795 174.779 175.510 0.106 0.000 1.024 97 N CA -0.456 52.651 53.050 0.095 0.000 0.894 97 N CB 2.961 41.487 38.487 0.065 0.000 1.173 97 N HN 0.190 nan 8.380 nan 0.000 0.487 98 V N 3.747 123.743 119.914 0.136 0.000 2.334 98 V HA 0.330 4.450 4.120 -0.000 0.000 0.267 98 V C 0.747 176.898 176.094 0.094 0.000 1.040 98 V CA -0.705 61.673 62.300 0.131 0.000 0.866 98 V CB 0.049 31.984 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 0.107 4.277 4.170 -0.000 0.000 0.284 99 I C 0.900 177.047 176.117 0.051 0.000 1.109 99 I CA 0.167 61.500 61.300 0.055 0.000 1.412 99 I CB 0.275 38.302 38.000 0.045 0.000 1.396 99 I HN 0.590 nan 8.210 nan 0.000 0.543 100 D N 6.472 126.897 120.400 0.041 0.000 2.400 100 D HA 0.078 4.718 4.640 -0.000 0.000 0.238 100 D C -0.588 175.729 176.300 0.028 0.000 1.157 100 D CA 0.468 54.488 54.000 0.034 0.000 0.889 100 D CB 0.952 41.767 40.800 0.024 0.000 1.199 100 D HN 0.527 nan 8.370 nan 0.000 0.436 101 Q N 1.631 121.446 119.800 0.025 0.000 2.359 101 Q HA 0.142 4.482 4.340 -0.000 0.000 0.274 101 Q C -0.899 175.110 176.000 0.014 0.000 1.074 101 Q CA -0.841 54.974 55.803 0.020 0.000 0.810 101 Q CB 1.554 30.307 28.738 0.025 0.000 1.342 101 Q HN 0.345 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 -0.509 175.004 175.510 0.004 0.000 1.211 102 N CA 0.369 53.420 53.050 0.002 0.000 1.158 102 N CB 0.114 38.599 38.487 -0.003 0.000 1.458 102 N HN 0.423 nan 8.380 nan 0.000 0.519 103 D N -1.414 118.990 120.400 0.007 0.000 2.407 103 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 103 D C -0.393 175.910 176.300 0.005 0.000 1.083 103 D CA 0.037 54.042 54.000 0.009 0.000 0.844 103 D CB 0.006 40.815 40.800 0.016 0.000 0.967 103 D HN 0.085 nan 8.370 nan 0.000 0.506 104 N N 1.124 119.824 118.700 -0.000 0.000 2.392 104 N HA 0.234 4.974 4.740 -0.000 0.000 0.283 104 N C -0.798 174.705 175.510 -0.012 0.000 1.003 104 N CA -0.523 52.525 53.050 -0.004 0.000 0.892 104 N CB 2.286 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 2.874 123.369 120.500 -0.008 0.000 2.490 105 R HA 0.372 4.712 4.340 -0.000 0.000 0.278 105 R C -2.051 174.235 176.300 -0.023 0.000 1.069 105 R CA -0.932 55.161 56.100 -0.013 0.000 1.080 105 R CB 0.631 30.932 30.300 0.003 0.000 1.030 105 R HN 0.322 nan 8.270 nan 0.000 0.491 106 P HA 0.166 nan 4.420 nan 0.000 0.286 106 P C -1.521 175.747 177.300 -0.054 0.000 1.293 106 P CA -0.279 62.774 63.100 -0.078 0.000 0.770 106 P CB 0.669 32.280 31.700 -0.149 0.000 1.206 107 K N -0.424 119.932 120.400 -0.074 0.000 2.561 107 K HA 0.384 4.704 4.320 -0.000 0.000 0.254 107 K C -1.150 175.462 176.600 0.020 0.000 0.942 107 K CA -0.571 55.724 56.287 0.014 0.000 0.818 107 K CB 0.982 33.515 32.500 0.054 0.000 1.306 107 K HN 0.122 nan 8.250 nan 0.000 0.435 108 F N 2.168 122.195 119.950 0.128 0.000 2.518 108 F HA 0.035 4.562 4.527 -0.000 0.000 0.359 108 F C 1.962 177.882 175.800 0.200 0.000 1.118 108 F CA 0.483 58.611 58.000 0.214 0.000 1.287 108 F CB 1.175 40.351 39.000 0.293 0.000 1.132 108 F HN 0.692 nan 8.300 nan 0.000 0.587 109 T N 1.217 116.042 114.554 0.453 0.000 2.624 109 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 109 T C 0.684 175.444 174.700 0.101 0.000 1.041 109 T CA 1.546 63.806 62.100 0.268 0.000 1.159 109 T CB -0.160 68.902 68.868 0.323 0.000 0.863 109 T HN 0.542 nan 8.240 nan 0.000 0.434 110 Q N -0.384 119.377 119.800 -0.065 0.000 2.333 110 Q HA 0.388 4.728 4.340 -0.000 0.000 0.266 110 Q C 0.337 176.227 176.000 -0.183 0.000 1.053 110 Q CA -0.674 54.912 55.803 -0.361 0.000 0.890 110 Q CB 0.999 29.171 28.738 -0.943 0.000 1.337 110 Q HN -0.029 nan 8.270 nan 0.000 0.474 111 D N -0.520 119.772 120.400 -0.181 0.000 2.346 111 D HA 0.065 4.705 4.640 -0.000 0.000 0.206 111 D C -0.598 175.639 176.300 -0.105 0.000 1.001 111 D CA 0.344 54.297 54.000 -0.078 0.000 0.871 111 D CB 0.789 41.555 40.800 -0.056 0.000 0.943 111 D HN 0.295 nan 8.370 nan 0.000 0.518 112 V N -1.795 117.993 119.914 -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 -0.216 0.000 1.250 112 V CA -1.133 61.102 62.300 -0.108 0.000 0.939 112 V CB 0.711 32.491 31.823 -0.072 0.000 1.062 112 V HN -0.143 nan 8.190 nan 0.000 0.433 113 F N 2.350 122.255 119.950 -0.075 0.000 2.458 113 F HA 0.834 5.361 4.527 -0.000 0.000 0.330 113 F C 0.745 176.510 175.800 -0.060 0.000 1.082 113 F CA -0.673 57.293 58.000 -0.056 0.000 0.995 113 F CB 2.128 41.095 39.000 -0.056 0.000 1.170 113 F HN 0.422 nan 8.300 nan 0.000 0.478 114 R N 0.565 121.134 120.500 0.116 0.000 2.854 114 R HA 0.838 5.178 4.340 -0.000 0.000 0.271 114 R C -0.455 175.870 176.300 0.042 0.000 0.996 114 R CA -1.115 55.017 56.100 0.052 0.000 0.961 114 R CB 2.249 32.560 30.300 0.019 0.000 1.182 114 R HN 0.894 nan 8.270 nan 0.000 0.479 115 G N -0.386 108.423 108.800 0.016 0.000 2.684 115 G HA2 0.536 4.496 3.960 -0.000 0.000 0.290 115 G HA3 0.536 4.496 3.960 -0.000 0.000 0.290 115 G C -1.481 173.428 174.900 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 -1.616 114.098 115.700 0.022 0.000 2.537 116 S HA 0.807 5.277 4.470 -0.000 0.000 0.271 116 S C -1.114 173.516 174.600 0.049 0.000 1.148 116 S CA -0.534 57.691 58.200 0.042 0.000 0.868 116 S CB 1.647 64.869 63.200 0.037 0.000 1.115 116 S HN 1.671 nan 8.310 nan 0.000 0.461 117 V N 0.409 120.366 119.914 0.072 0.000 3.178 117 V HA 0.665 4.785 4.120 -0.000 0.000 0.302 117 V C -0.311 175.830 176.094 0.078 0.000 1.262 117 V CA -1.179 61.166 62.300 0.074 0.000 1.030 117 V CB 1.871 33.751 31.823 0.096 0.000 1.074 117 V HN 1.152 nan 8.190 nan 0.000 0.438 118 R N 1.127 121.665 120.500 0.064 0.000 2.410 118 R HA 0.314 4.654 4.340 -0.000 0.000 0.288 118 R C 1.534 177.874 176.300 0.066 0.000 1.051 118 R CA 0.134 56.271 56.100 0.062 0.000 1.021 118 R CB 1.199 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 1.011 177.643 176.600 0.053 0.000 0.992 119 E CA 1.510 57.956 56.400 0.076 0.000 0.804 119 E CB -0.179 29.574 29.700 0.088 0.000 0.741 119 E HN 0.832 nan 8.360 nan 0.000 0.458 120 G N 2.052 110.881 108.800 0.047 0.000 2.985 120 G HA2 0.106 4.066 3.960 -0.000 0.000 0.209 120 G HA3 0.106 4.066 3.960 -0.000 0.000 0.209 120 G C 0.788 175.703 174.900 0.025 0.000 1.165 120 G CA 0.325 45.447 45.100 0.036 0.000 0.776 120 G HN 0.269 nan 8.290 nan 0.000 0.541 121 V N -2.182 117.746 119.914 0.024 0.000 3.237 121 V HA 0.322 4.442 4.120 -0.000 0.000 0.305 121 V C -0.074 176.021 176.094 0.002 0.000 1.096 121 V CA -0.861 61.449 62.300 0.016 0.000 1.130 121 V CB 0.919 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 2.829 122.629 119.800 -0.000 0.000 2.259 122 Q HA 0.396 4.736 4.340 -0.000 0.000 0.246 122 Q C -2.353 173.636 176.000 -0.018 0.000 0.920 122 Q CA -1.842 53.955 55.803 -0.009 0.000 0.895 122 Q CB 1.321 30.057 28.738 -0.005 0.000 1.220 122 Q HN 0.705 nan 8.270 nan 0.000 0.439 123 P HA -0.070 nan 4.420 nan 0.000 0.264 123 P C 0.180 177.466 177.300 -0.023 0.000 1.193 123 P CA 0.716 63.792 63.100 -0.040 0.000 0.763 123 P CB 0.419 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 0.816 115.375 114.554 0.009 0.000 2.771 125 T HA 0.501 4.851 4.350 -0.000 0.000 0.281 125 T C 0.203 174.921 174.700 0.030 0.000 0.982 125 T CA -0.327 61.783 62.100 0.018 0.000 0.978 125 T CB 1.879 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 0.259 4.599 4.340 -0.000 0.000 0.273 126 Q C 0.282 176.294 176.000 0.021 0.000 1.051 126 Q CA -0.155 55.658 55.803 0.018 0.000 0.901 126 Q CB 0.804 29.546 28.738 0.006 0.000 1.174 126 Q HN 0.620 nan 8.270 nan 0.000 0.385 127 V N 4.792 124.718 119.914 0.019 0.000 3.064 127 V HA 0.204 4.324 4.120 -0.000 0.000 0.215 127 V C 0.753 176.837 176.094 -0.018 0.000 1.167 127 V CA 0.401 62.708 62.300 0.011 0.000 1.286 127 V CB 0.317 32.150 31.823 0.017 0.000 1.103 127 V HN 0.917 nan 8.190 nan 0.000 0.510 128 M N 0.207 119.775 119.600 -0.053 0.000 2.356 128 M HA 0.709 5.189 4.480 -0.000 0.000 0.219 128 M C -0.459 175.796 176.300 -0.075 0.000 1.004 128 M CA 0.084 55.348 55.300 -0.060 0.000 1.427 128 M CB 1.413 33.957 32.600 -0.092 0.000 1.197 128 M HN 0.537 nan 8.290 nan 0.000 0.739 129 A N 0.052 122.815 122.820 -0.095 0.000 2.547 129 A HA 0.647 4.967 4.320 -0.000 0.000 0.298 129 A C -1.719 175.734 177.584 -0.217 0.000 1.062 129 A CA -0.626 51.330 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 1.338 121.015 119.914 -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 33.678 31.823 -0.858 0.000 1.017 130 V HN 1.036 nan 8.190 nan 0.000 0.428 131 S N 1.500 117.091 115.700 -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 -0.187 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 0.827 123.746 122.820 0.164 0.000 2.549 132 A HA 0.768 5.088 4.320 -0.000 0.000 0.291 132 A C -0.920 176.660 177.584 -0.007 0.000 1.034 132 A CA -0.714 51.327 52.037 0.007 0.000 0.655 132 A CB 0.665 19.426 19.000 -0.398 0.000 1.299 132 A HN 1.065 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 0.765 5.115 4.350 -0.000 0.000 0.302 133 T C -1.688 172.975 174.700 -0.061 0.000 1.232 133 T CA -0.576 61.498 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 0.766 nan 8.240 nan 0.000 0.504 134 D N -0.523 119.845 120.400 -0.054 0.000 2.619 134 D HA 0.327 4.967 4.640 -0.000 0.000 0.241 134 D C 0.299 176.581 176.300 -0.029 0.000 1.087 134 D CA -0.504 53.467 54.000 -0.048 0.000 0.851 134 D CB 2.666 43.428 40.800 -0.063 0.000 1.474 134 D HN 0.730 nan 8.370 nan 0.000 0.478 135 E N 1.160 121.348 120.200 -0.020 0.000 2.385 135 E HA 0.001 4.351 4.350 -0.000 0.000 0.194 135 E C -0.103 176.491 176.600 -0.010 0.000 1.013 135 E CA -0.060 56.332 56.400 -0.013 0.000 0.866 135 E CB 0.456 30.151 29.700 -0.009 0.000 0.832 135 E HN 0.481 nan 8.360 nan 0.000 0.500 136 D N 1.179 121.572 120.400 -0.011 0.000 2.372 136 D HA -0.056 4.584 4.640 -0.000 0.000 0.243 136 D C 0.071 176.368 176.300 -0.006 0.000 1.297 136 D CA 0.148 54.145 54.000 -0.006 0.000 0.958 136 D CB 0.312 41.108 40.800 -0.007 0.000 1.114 136 D HN -0.019 nan 8.370 nan 0.000 0.496 137 D N -0.957 119.442 120.400 -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 0.164 40.967 40.800 0.005 0.000 1.198 137 D HN 0.570 nan 8.370 nan 0.000 0.444 138 N N 2.008 120.703 118.700 -0.008 0.000 2.423 138 N HA 0.126 4.866 4.740 -0.000 0.000 0.262 138 N C -0.049 175.456 175.510 -0.008 0.000 1.467 138 N CA -0.219 52.824 53.050 -0.013 0.000 0.847 138 N CB 0.072 38.548 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 -0.479 175.638 176.117 0.001 0.000 1.338 139 I CA 0.161 61.460 61.300 -0.001 0.000 1.244 139 I CB 0.763 38.764 38.000 0.002 0.000 1.417 139 I HN 0.027 nan 8.210 nan 0.000 0.501 140 D N -0.271 120.130 120.400 0.001 0.000 2.412 140 D HA 0.150 4.790 4.640 -0.000 0.000 0.326 140 D C 0.373 176.673 176.300 0.001 0.000 1.209 140 D CA 0.552 54.554 54.000 0.003 0.000 0.876 140 D CB 1.049 41.853 40.800 0.007 0.000 1.344 140 D HN 0.314 nan 8.370 nan 0.000 0.503 141 S N -0.687 115.012 115.700 -0.002 0.000 2.806 141 S HA 0.576 5.046 4.470 -0.000 0.000 0.306 141 S C 0.078 174.671 174.600 -0.012 0.000 1.167 141 S CA -0.627 57.570 58.200 -0.005 0.000 0.847 141 S CB 1.236 64.434 63.200 -0.003 0.000 1.216 141 S HN -0.027 nan 8.310 nan 0.000 0.532 142 L N 0.982 122.195 121.223 -0.017 0.000 2.808 142 L HA 0.329 4.669 4.340 -0.000 0.000 0.246 142 L C 0.767 177.618 176.870 -0.031 0.000 1.153 142 L CA -0.172 54.653 54.840 -0.026 0.000 0.956 142 L CB -0.471 41.572 42.059 -0.027 0.000 1.270 142 L HN 0.537 nan 8.230 nan 0.000 0.528 143 N N 1.323 120.009 118.700 -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 54.298 53.050 -0.023 0.000 0.907 143 N CB -0.070 38.410 38.487 -0.012 0.000 0.954 143 N HN 0.351 nan 8.380 nan 0.000 0.445 144 G N -0.822 107.956 108.800 -0.036 0.000 3.979 144 G HA2 0.267 4.227 3.960 -0.000 0.000 0.287 144 G HA3 0.267 4.227 3.960 -0.000 0.000 0.287 144 G C -0.353 174.510 174.900 -0.061 0.000 1.011 144 G CA -0.102 44.971 45.100 -0.045 0.000 0.818 144 G HN 0.189 nan 8.290 nan 0.000 0.470 145 V N -0.450 119.421 119.914 -0.071 0.000 2.435 145 V HA 0.793 4.913 4.120 -0.000 0.000 0.290 145 V C -0.526 175.482 176.094 -0.142 0.000 1.030 145 V CA -1.180 61.065 62.300 -0.091 0.000 0.881 145 V CB 1.627 33.410 31.823 -0.066 0.000 0.983 145 V HN -0.092 nan 8.190 nan 0.000 0.445 146 L N 3.823 124.913 121.223 -0.221 0.000 2.365 146 L HA 0.737 5.077 4.340 -0.000 0.000 0.267 146 L C 0.382 177.002 176.870 -0.417 0.000 1.033 146 L CA -0.283 54.344 54.840 -0.355 0.000 0.802 146 L CB 1.362 43.099 42.059 -0.537 0.000 1.267 146 L HN 0.938 nan 8.230 nan 0.000 0.457 147 S N -0.234 115.207 115.700 -0.432 0.000 2.672 147 S HA 0.628 5.098 4.470 -0.000 0.000 0.291 147 S C -1.072 173.336 174.600 -0.321 0.000 1.145 147 S CA -0.434 57.582 58.200 -0.307 0.000 1.013 147 S CB 0.403 63.521 63.200 -0.138 0.000 1.017 147 S HN 0.311 nan 8.310 nan 0.000 0.487 148 Y N 2.551 122.830 120.300 -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 -0.084 58.004 58.100 -0.021 0.000 1.280 148 Y CB 1.505 39.948 38.460 -0.029 0.000 1.248 148 Y HN 0.793 nan 8.280 nan 0.000 0.508 149 S N 0.830 116.645 115.700 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 0.897 121.507 120.570 0.067 0.000 2.730 150 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 150 I C -0.792 175.354 176.117 0.048 0.000 1.089 150 I CA -1.081 60.249 61.300 0.051 0.000 1.041 150 I CB 2.077 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 2.011 123.260 121.223 0.043 0.000 3.521 151 L HA 0.537 4.877 4.340 -0.000 0.000 0.323 151 L C -0.105 176.788 176.870 0.038 0.000 1.268 151 L CA -0.341 54.523 54.840 0.040 0.000 1.064 151 L CB -0.274 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 1.755 122.181 120.400 0.042 0.000 2.372 152 K HA 0.239 4.559 4.320 -0.000 0.000 0.354 152 K C -1.515 175.122 176.600 0.063 0.000 1.394 152 K CA -0.129 56.186 56.287 0.047 0.000 1.138 152 K CB 0.921 33.443 32.500 0.036 0.000 1.399 152 K HN 0.437 nan 8.250 nan 0.000 0.480 153 Q N 2.524 122.381 119.800 0.096 0.000 2.257 153 Q HA 0.315 4.655 4.340 -0.000 0.000 0.255 153 Q C -0.462 175.636 176.000 0.163 0.000 0.920 153 Q CA -0.787 55.108 55.803 0.154 0.000 0.927 153 Q CB 1.861 30.737 28.738 0.230 0.000 1.229 153 Q HN 0.342 nan 8.270 nan 0.000 0.433 154 D N 2.790 123.285 120.400 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 -1.433 52.632 54.000 0.107 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 -0.152 0.000 1.908 156 E N -0.028 120.208 120.200 0.061 0.000 2.401 156 E HA -0.085 4.265 4.350 -0.000 0.000 0.203 156 E C 0.350 176.942 176.600 -0.012 0.000 1.229 156 E CA 0.579 57.006 56.400 0.044 0.000 1.000 156 E CB -0.075 29.645 29.700 0.034 0.000 1.052 156 E HN 0.302 nan 8.360 nan 0.000 0.497 157 E N -1.879 118.275 120.200 -0.077 0.000 2.314 157 E HA 0.274 4.624 4.350 -0.000 0.000 0.272 157 E C -2.178 174.067 176.600 -0.591 0.000 0.884 157 E CA -2.289 53.968 56.400 -0.237 0.000 0.753 157 E CB 1.600 31.207 29.700 -0.154 0.000 1.213 157 E HN -0.168 nan 8.360 nan 0.000 0.432 158 P HA -0.046 nan 4.420 nan 0.000 0.215 158 P C -0.087 177.123 177.300 -0.150 0.000 1.153 158 P CA 1.376 64.301 63.100 -0.291 0.000 0.853 158 P CB 0.073 31.642 31.700 -0.218 0.000 0.788 159 I N -7.345 113.137 120.570 -0.146 0.000 3.279 159 I HA 0.526 4.696 4.170 -0.000 0.000 0.315 159 I C -2.597 173.465 176.117 -0.091 0.000 1.187 159 I CA -2.699 58.541 61.300 -0.099 0.000 0.953 159 I CB 2.626 40.565 38.000 -0.103 0.000 1.279 159 I HN -0.366 nan 8.210 nan 0.000 0.465 160 P HA 0.315 nan 4.420 nan 0.000 0.288 160 P C -1.145 176.128 177.300 -0.045 0.000 1.682 160 P CA -0.096 62.984 63.100 -0.033 0.000 1.270 160 P CB -0.415 31.283 31.700 -0.003 0.000 1.596 161 N N 0.078 118.715 118.700 -0.104 0.000 2.646 161 N HA 0.230 4.970 4.740 -0.000 0.000 0.303 161 N C 1.005 176.372 175.510 -0.239 0.000 1.921 161 N CA -0.348 52.637 53.050 -0.108 0.000 0.872 161 N CB 0.238 38.680 38.487 -0.075 0.000 1.327 161 N HN -0.090 nan 8.380 nan 0.000 0.492 162 L N -0.707 120.248 121.223 -0.447 0.000 2.201 162 L HA 0.132 4.472 4.340 -0.000 0.000 0.212 162 L C -0.309 175.926 176.870 -1.058 0.000 1.105 162 L CA 1.255 55.541 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 -2.689 117.186 119.950 -0.125 0.000 2.675 163 F HA 0.637 5.164 4.527 -0.000 0.000 0.324 163 F C 0.060 175.824 175.800 -0.062 0.000 1.106 163 F CA -1.013 56.932 58.000 -0.092 0.000 0.970 163 F CB 1.403 40.343 39.000 -0.099 0.000 1.385 163 F HN -0.491 nan 8.300 nan 0.000 0.489 164 T N 0.424 115.085 114.554 0.179 0.000 2.816 164 T HA 0.743 5.093 4.350 -0.000 0.000 0.299 164 T C -1.943 172.793 174.700 0.061 0.000 1.230 164 T CA -0.532 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 2.502 123.094 120.570 0.036 0.000 2.647 165 I HA 0.484 4.654 4.170 -0.000 0.000 0.295 165 I C -0.670 175.461 176.117 0.024 0.000 1.078 165 I CA -0.961 60.344 61.300 0.009 0.000 1.048 165 I CB 1.953 39.952 38.000 -0.002 0.000 1.239 165 I HN 0.564 nan 8.210 nan 0.000 0.421 166 N N 6.471 125.175 118.700 0.007 0.000 2.405 166 N HA 0.089 4.829 4.740 -0.000 0.000 0.260 166 N C 0.945 176.509 175.510 0.091 0.000 1.152 166 N CA 0.350 53.418 53.050 0.031 0.000 0.948 166 N CB 0.912 39.405 38.487 0.010 0.000 1.111 166 N HN 0.715 nan 8.380 nan 0.000 0.485 167 R N 3.193 123.756 120.500 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 1.777 57.966 56.100 0.149 0.000 0.968 167 R CB 0.101 30.441 30.300 0.067 0.000 0.863 167 R HN 0.725 nan 8.270 nan 0.000 0.444 168 E N -0.884 119.407 120.200 0.153 0.000 2.060 168 E HA -0.110 4.240 4.350 -0.000 0.000 0.189 168 E C 1.569 178.318 176.600 0.248 0.000 0.974 168 E CA 1.583 58.070 56.400 0.145 0.000 0.808 168 E CB 0.125 29.866 29.700 0.070 0.000 0.768 168 E HN 0.513 nan 8.360 nan 0.000 0.453 169 T N -3.499 111.145 114.554 0.150 0.000 3.051 169 T HA 0.219 4.569 4.350 -0.000 0.000 0.255 169 T C 1.501 176.093 174.700 -0.180 0.000 1.085 169 T CA 0.666 62.797 62.100 0.052 0.000 1.109 169 T CB 0.454 69.320 68.868 -0.004 0.000 0.921 169 T HN 0.339 nan 8.240 nan 0.000 0.488 170 G N 1.017 109.653 108.800 -0.273 0.000 2.148 170 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.254 170 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.254 170 G C 0.028 174.688 174.900 -0.400 0.000 0.981 170 G CA 0.014 44.661 45.100 -0.754 0.000 0.670 170 G HN 0.772 nan 8.290 nan 0.000 0.528 171 V N 1.098 120.889 119.914 -0.206 0.000 2.649 171 V HA 0.613 4.733 4.120 -0.000 0.000 0.292 171 V C 1.025 177.060 176.094 -0.099 0.000 1.055 171 V CA -0.414 61.803 62.300 -0.139 0.000 1.023 171 V CB 1.624 33.400 31.823 -0.078 0.000 0.992 171 V HN 0.305 nan 8.190 nan 0.000 0.480 172 I N 2.425 122.940 120.570 -0.092 0.000 2.562 172 I HA 0.581 4.751 4.170 -0.000 0.000 0.301 172 I C 0.162 176.279 176.117 -0.000 0.000 1.003 172 I CA 0.014 61.281 61.300 -0.056 0.000 1.127 172 I CB 2.033 39.961 38.000 -0.120 0.000 1.304 172 I HN 0.611 nan 8.210 nan 0.000 0.446 173 S N 3.935 119.673 115.700 0.062 0.000 2.595 173 S HA 0.512 4.982 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 -0.551 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 0.120 0.000 2.360 174 L HA 0.483 4.823 4.340 -0.000 0.000 0.276 174 L C 0.331 177.166 176.870 -0.057 0.000 1.121 174 L CA 0.619 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 2.694 123.182 120.570 -0.137 0.000 3.300 175 I HA 0.306 4.476 4.170 -0.000 0.000 0.279 175 I C 1.251 177.286 176.117 -0.136 0.000 1.172 175 I CA 0.489 61.726 61.300 -0.105 0.000 1.431 175 I CB 0.355 38.307 38.000 -0.080 0.000 1.240 175 I HN 0.771 nan 8.210 nan 0.000 0.453 176 G N 0.051 108.720 108.800 -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 -0.711 174.084 174.900 -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 1.635 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 2.077 110.836 108.800 -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 1.606 122.834 121.223 0.008 0.000 2.462 179 L HA 0.485 4.825 4.340 -0.000 0.000 0.272 179 L C -0.285 176.665 176.870 0.133 0.000 1.166 179 L CA 0.159 55.046 54.840 0.078 0.000 0.880 179 L CB 0.914 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 2.503 123.034 120.400 0.219 0.000 2.855 180 D HA 0.158 4.798 4.640 -0.000 0.000 0.241 180 D C 0.550 176.964 176.300 0.190 0.000 1.277 180 D CA -0.610 53.502 54.000 0.187 0.000 0.918 180 D CB 1.521 42.438 40.800 0.194 0.000 1.462 180 D HN 0.366 nan 8.370 nan 0.000 0.559 181 R N 2.469 123.044 120.500 0.126 0.000 2.075 181 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 181 R C 0.769 177.097 176.300 0.047 0.000 1.126 181 R CA 1.458 57.615 56.100 0.096 0.000 0.963 181 R CB 0.244 30.586 30.300 0.070 0.000 0.858 181 R HN 0.408 nan 8.270 nan 0.000 0.435 182 E N 0.167 120.388 120.200 0.035 0.000 2.209 182 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 182 E C 1.662 178.211 176.600 -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 -0.123 0.000 2.344 183 K HA 0.195 4.515 4.320 -0.000 0.000 0.200 183 K C -0.383 175.773 176.600 -0.741 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 1.830 40.771 39.000 -0.098 0.000 1.363 184 F HN -0.094 nan 8.300 nan 0.000 0.496 185 P HA -0.018 nan 4.420 nan 0.000 0.239 185 P C -0.174 177.173 177.300 0.078 0.000 1.188 185 P CA 0.724 63.873 63.100 0.081 0.000 0.794 185 P CB 1.238 32.957 31.700 0.032 0.000 0.937 186 E N -0.255 119.926 120.200 -0.032 0.000 2.317 186 E HA 0.269 4.619 4.350 -0.000 0.000 0.270 186 E C -1.376 175.166 176.600 -0.097 0.000 0.899 186 E CA -0.675 55.729 56.400 0.006 0.000 0.814 186 E CB 1.042 30.746 29.700 0.007 0.000 1.296 186 E HN -0.119 nan 8.360 nan 0.000 0.404 187 Y N 1.269 121.619 120.300 0.084 0.000 2.320 187 Y HA 0.367 4.917 4.550 -0.000 0.000 0.324 187 Y C 0.414 176.319 175.900 0.010 0.000 1.190 187 Y CA -0.321 57.823 58.100 0.073 0.000 1.215 187 Y CB 2.008 40.551 38.460 0.140 0.000 1.221 187 Y HN 0.243 nan 8.280 nan 0.000 0.486 188 T N 4.826 119.470 114.554 0.150 0.000 2.892 188 T HA 0.558 4.908 4.350 -0.000 0.000 0.311 188 T C -0.819 173.916 174.700 0.058 0.000 1.033 188 T CA -0.762 61.376 62.100 0.063 0.000 0.991 188 T CB -0.196 68.691 68.868 0.031 0.000 0.981 188 T HN 0.491 nan 8.240 nan 0.000 0.457 189 L N 0.495 121.723 121.223 0.008 0.000 2.334 189 L HA 0.861 5.201 4.340 -0.000 0.000 0.273 189 L C -0.241 176.609 176.870 -0.033 0.000 1.013 189 L CA -1.011 53.827 54.840 -0.004 0.000 0.816 189 L CB 1.416 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 2.351 116.896 114.554 -0.015 0.000 2.767 190 T HA 0.533 4.883 4.350 -0.000 0.000 0.288 190 T C 0.106 174.797 174.700 -0.014 0.000 0.963 190 T CA -0.532 61.552 62.100 -0.027 0.000 1.019 190 T CB 1.592 70.457 68.868 -0.005 0.000 0.923 190 T HN 0.607 nan 8.240 nan 0.000 0.468 191 V N 1.535 121.427 119.914 -0.037 0.000 2.994 191 V HA 0.785 4.905 4.120 -0.000 0.000 0.318 191 V C -0.686 175.523 176.094 0.191 0.000 1.085 191 V CA -0.972 61.361 62.300 0.054 0.000 0.998 191 V CB 1.963 33.812 31.823 0.044 0.000 1.063 191 V HN 0.869 nan 8.190 nan 0.000 0.447 192 Q N 1.169 121.147 119.800 0.297 0.000 2.379 192 Q HA 0.778 5.118 4.340 -0.000 0.000 0.278 192 Q C -1.417 174.725 176.000 0.237 0.000 1.068 192 Q CA -0.667 55.331 55.803 0.324 0.000 0.816 192 Q CB 2.483 31.317 28.738 0.159 0.000 1.387 192 Q HN 1.374 nan 8.270 nan 0.000 0.413 193 A N 1.773 124.636 122.820 0.072 0.000 2.386 193 A HA 0.866 5.186 4.320 -0.000 0.000 0.311 193 A C -1.068 176.417 177.584 -0.165 0.000 1.068 193 A CA -0.382 51.550 52.037 -0.176 0.000 0.743 193 A CB 2.148 20.878 19.000 -0.449 0.000 1.258 193 A HN 0.634 nan 8.150 nan 0.000 0.429 194 T N 0.934 115.368 114.554 -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 61.557 62.100 -0.135 0.000 1.000 194 T CB 1.464 70.284 68.868 -0.080 0.000 1.103 194 T HN 0.650 nan 8.240 nan 0.000 0.486 195 D N 1.417 121.758 120.400 -0.099 0.000 2.400 195 D HA 0.189 4.829 4.640 -0.000 0.000 0.238 195 D C 0.963 177.220 176.300 -0.071 0.000 1.157 195 D CA 0.077 54.028 54.000 -0.082 0.000 0.889 195 D CB 0.222 40.990 40.800 -0.054 0.000 1.199 195 D HN 0.652 nan 8.370 nan 0.000 0.436 196 L N 1.669 122.853 121.223 -0.064 0.000 3.660 196 L HA -0.289 4.051 4.340 -0.000 0.000 0.440 196 L C -0.109 176.728 176.870 -0.056 0.000 1.262 196 L CA 0.295 55.105 54.840 -0.051 0.000 0.837 196 L CB -2.047 39.990 42.059 -0.036 0.000 1.689 196 L HN 0.661 nan 8.230 nan 0.000 0.890 197 E N -1.555 118.599 120.200 -0.077 0.000 2.302 197 E HA -0.197 4.153 4.350 -0.000 0.000 0.186 197 E C 1.322 177.883 176.600 -0.065 0.000 1.444 197 E CA 0.651 57.005 56.400 -0.076 0.000 0.671 197 E CB -1.529 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 -0.414 108.337 108.800 -0.082 0.000 2.189 198 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.267 198 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.267 198 G C 0.942 175.818 174.900 -0.040 0.000 0.975 198 G CA 0.889 45.953 45.100 -0.059 0.000 0.644 198 G HN 0.948 nan 8.290 nan 0.000 0.537 199 A N -0.241 122.555 122.820 -0.040 0.000 1.924 199 A HA 0.598 4.918 4.320 -0.000 0.000 0.211 199 A C 2.335 179.904 177.584 -0.025 0.000 1.198 199 A CA 1.730 53.750 52.037 -0.027 0.000 0.657 199 A CB -0.640 18.346 19.000 -0.024 0.000 0.852 199 A HN 1.519 nan 8.150 nan 0.000 0.454 200 G N 0.011 108.792 108.800 -0.032 0.000 2.830 200 G HA2 0.353 4.313 3.960 -0.000 0.000 0.172 200 G HA3 0.353 4.313 3.960 -0.000 0.000 0.172 200 G C 0.369 175.255 174.900 -0.023 0.000 1.782 200 G CA 0.120 45.204 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 -0.036 176.819 176.870 -0.024 0.000 1.034 201 L CA -0.696 54.133 54.840 -0.018 0.000 0.806 201 L CB 2.113 44.164 42.059 -0.014 0.000 1.244 201 L HN 0.481 nan 8.230 nan 0.000 0.447 202 S N 0.067 115.764 115.700 -0.005 0.000 2.632 202 S HA 0.913 5.383 4.470 -0.000 0.000 0.289 202 S C -0.593 174.034 174.600 0.044 0.000 1.115 202 S CA -0.757 57.447 58.200 0.006 0.000 0.889 202 S CB 2.214 65.425 63.200 0.018 0.000 1.116 202 S HN 0.600 nan 8.310 nan 0.000 0.486 203 V N -2.073 117.897 119.914 0.092 0.000 3.202 203 V HA 0.901 5.021 4.120 -0.000 0.000 0.306 203 V C -1.921 174.386 176.094 0.354 0.000 1.283 203 V CA -1.179 61.234 62.300 0.188 0.000 1.065 203 V CB 1.443 33.384 31.823 0.197 0.000 1.079 203 V HN 0.920 nan 8.190 nan 0.000 0.448 204 E N 0.029 120.438 120.200 0.348 0.000 2.299 204 E HA 0.888 5.238 4.350 -0.000 0.000 0.265 204 E C 0.033 176.533 176.600 -0.167 0.000 0.911 204 E CA 0.015 56.536 56.400 0.203 0.000 0.789 204 E CB 2.027 31.762 29.700 0.059 0.000 1.246 204 E HN 1.214 nan 8.360 nan 0.000 0.427 205 G N 0.252 108.687 108.800 -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 -0.939 119.309 120.400 -0.254 0.000 2.575 206 K HA 0.585 4.905 4.320 -0.000 0.000 0.255 206 K C -1.411 175.173 176.600 -0.026 0.000 0.953 206 K CA -0.509 55.712 56.287 -0.109 0.000 0.840 206 K CB 2.298 34.757 32.500 -0.068 0.000 1.303 206 K HN 0.824 nan 8.250 nan 0.000 0.438 207 A N 4.033 126.826 122.820 -0.045 0.000 2.371 207 A HA 0.795 5.115 4.320 -0.000 0.000 0.311 207 A C -1.041 176.522 177.584 -0.035 0.000 1.068 207 A CA -0.665 51.361 52.037 -0.018 0.000 0.744 207 A CB 0.724 19.662 19.000 -0.104 0.000 1.239 207 A HN 0.640 nan 8.150 nan 0.000 0.435 208 I N 2.713 123.277 120.570 -0.010 0.000 2.466 208 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 208 I C -1.048 175.068 176.117 -0.001 0.000 1.026 208 I CA -0.374 60.924 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 5.712 126.290 120.570 0.014 0.000 2.378 209 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 209 I C -0.132 176.053 176.117 0.114 0.000 0.992 209 I CA -0.559 60.762 61.300 0.035 0.000 1.154 209 I CB 1.503 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 6.062 125.914 119.800 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 55.148 55.803 0.094 0.000 0.894 210 Q CB 2.238 31.008 28.738 0.053 0.000 1.252 210 Q HN 0.601 nan 8.270 nan 0.000 0.448 211 I N 2.804 123.454 120.570 0.132 0.000 2.328 211 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 211 I C 0.579 176.750 176.117 0.091 0.000 1.012 211 I CA -0.415 60.966 61.300 0.136 0.000 1.195 211 I CB 1.615 39.731 38.000 0.194 0.000 1.350 211 I HN 0.500 nan 8.210 nan 0.000 0.464 212 T N 4.281 118.879 114.554 0.073 0.000 2.595 212 T HA -0.084 4.266 4.350 -0.000 0.000 0.339 212 T C 0.068 174.802 174.700 0.056 0.000 1.059 212 T CA 0.097 62.229 62.100 0.054 0.000 1.035 212 T CB 0.486 69.382 68.868 0.046 0.000 1.003 212 T HN 0.562 nan 8.240 nan 0.000 0.540 213 D N -0.654 119.773 120.400 0.046 0.000 2.272 213 D HA 0.581 5.221 4.640 -0.000 0.000 0.247 213 D C -0.863 175.469 176.300 0.054 0.000 0.990 213 D CA -0.508 53.522 54.000 0.049 0.000 0.931 213 D CB 1.789 42.613 40.800 0.040 0.000 1.195 213 D HN 0.627 nan 8.370 nan 0.000 0.477 214 A N 1.879 124.736 122.820 0.061 0.000 2.515 214 A HA 0.328 4.648 4.320 -0.000 0.000 0.296 214 A C -0.298 177.334 177.584 0.080 0.000 1.094 214 A CA -0.718 51.358 52.037 0.066 0.000 0.718 214 A CB 1.317 20.355 19.000 0.063 0.000 1.307 214 A HN 0.517 nan 8.150 nan 0.000 0.408 215 N N 0.613 119.372 118.700 0.097 0.000 3.111 215 N HA 0.120 4.860 4.740 -0.000 0.000 0.302 215 N C -0.049 175.538 175.510 0.128 0.000 1.317 215 N CA 0.233 53.366 53.050 0.138 0.000 1.151 215 N CB -0.225 38.371 38.487 0.182 0.000 1.456 215 N HN 0.583 nan 8.380 nan 0.000 0.547 216 D N -1.377 119.072 120.400 0.081 0.000 2.178 216 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 216 D C -0.005 176.302 176.300 0.012 0.000 0.980 216 D CA 1.117 55.145 54.000 0.047 0.000 0.842 216 D CB 0.092 40.917 40.800 0.043 0.000 0.948 216 D HN 0.391 nan 8.370 nan 0.000 0.472 217 N N 0.240 118.957 118.700 0.028 0.000 2.430 217 N HA 0.537 5.277 4.740 -0.000 0.000 0.298 217 N C -0.810 174.669 175.510 -0.052 0.000 1.130 217 N CA -0.578 52.462 53.050 -0.017 0.000 0.894 217 N CB 1.961 40.456 38.487 0.014 0.000 1.209 217 N HN 0.005 nan 8.380 nan 0.000 0.503 218 A N 1.469 124.202 122.820 -0.144 0.000 2.281 218 A HA 0.690 5.010 4.320 -0.000 0.000 0.329 218 A C -2.490 175.028 177.584 -0.111 0.000 1.122 218 A CA -1.508 50.408 52.037 -0.201 0.000 0.850 218 A CB 0.487 19.283 19.000 -0.339 0.000 1.207 218 A HN 0.393 nan 8.150 nan 0.000 0.495 219 P HA 0.522 nan 4.420 nan 0.000 0.284 219 P C -1.072 176.109 177.300 -0.199 0.000 1.253 219 P CA 0.043 63.029 63.100 -0.190 0.000 0.800 219 P CB 0.767 32.303 31.700 -0.273 0.000 0.961 220 I N 3.217 123.670 120.570 -0.194 0.000 2.447 220 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 220 I C -0.291 175.754 176.117 -0.120 0.000 1.023 220 I CA -0.908 60.326 61.300 -0.109 0.000 1.083 220 I CB 1.142 39.128 38.000 -0.022 0.000 1.245 220 I HN 0.223 nan 8.210 nan 0.000 0.434 221 F N 5.031 125.009 119.950 0.046 0.000 2.571 221 F HA -0.067 4.460 4.527 -0.000 0.000 0.390 221 F C 1.641 177.481 175.800 0.067 0.000 1.043 221 F CA 0.400 58.450 58.000 0.085 0.000 1.164 221 F CB 0.189 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 0.215 0.000 2.378 222 D HA 0.060 4.700 4.640 -0.000 0.000 0.227 222 D C -1.849 174.483 176.300 0.055 0.000 1.012 222 D CA 0.181 54.260 54.000 0.132 0.000 0.905 222 D CB -0.193 40.642 40.800 0.058 0.000 0.895 222 D HN 0.356 nan 8.370 nan 0.000 0.532 223 P HA 0.299 nan 4.420 nan 0.000 0.293 223 P C 0.020 177.312 177.300 -0.013 0.000 1.303 223 P CA -0.414 62.558 63.100 -0.213 0.000 0.972 223 P CB 2.219 33.372 31.700 -0.912 0.000 1.377 224 K N -0.767 119.595 120.400 -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 0.732 56.992 56.287 -0.044 0.000 0.965 224 K CB 0.385 32.869 32.500 -0.025 0.000 0.983 224 K HN 0.506 nan 8.250 nan 0.000 0.531 225 T N -1.059 113.469 114.554 -0.043 0.000 2.949 225 T HA 0.477 4.827 4.350 -0.000 0.000 0.300 225 T C -0.684 174.032 174.700 0.026 0.000 0.988 225 T CA -0.811 61.298 62.100 0.015 0.000 0.993 225 T CB 0.414 69.269 68.868 -0.022 0.000 0.984 225 T HN 0.008 nan 8.240 nan 0.000 0.442 226 Y N 1.464 121.713 120.300 -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 -0.966 57.095 58.100 -0.065 0.000 1.269 226 Y CB 2.278 40.693 38.460 -0.075 0.000 1.388 226 Y HN 0.902 nan 8.280 nan 0.000 0.528 227 T N -1.152 113.497 114.554 0.159 0.000 2.932 227 T HA 0.860 5.210 4.350 -0.000 0.000 0.318 227 T C -1.292 173.444 174.700 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 70.474 68.868 0.044 0.000 1.209 227 T HN 1.065 nan 8.240 nan 0.000 0.484 228 A N 1.875 124.716 122.820 0.035 0.000 2.612 228 A HA 0.816 5.136 4.320 -0.000 0.000 0.293 228 A C -1.644 175.965 177.584 0.042 0.000 1.075 228 A CA -1.018 51.038 52.037 0.032 0.000 0.680 228 A CB 1.311 20.311 19.000 0.000 0.000 1.279 228 A HN 0.962 nan 8.150 nan 0.000 0.411 229 L N 0.631 121.889 121.223 0.058 0.000 2.334 229 L HA 0.864 5.204 4.340 -0.000 0.000 0.270 229 L C -0.383 176.548 176.870 0.103 0.000 1.018 229 L CA -1.028 53.851 54.840 0.065 0.000 0.811 229 L CB 1.944 44.034 42.059 0.051 0.000 1.271 229 L HN 0.920 nan 8.230 nan 0.000 0.443 230 V N -0.350 119.608 119.914 0.073 0.000 3.120 230 V HA 0.657 4.777 4.120 -0.000 0.000 0.303 230 V C -3.024 173.049 176.094 -0.036 0.000 1.238 230 V CA -2.015 60.335 62.300 0.084 0.000 1.008 230 V CB 2.275 34.163 31.823 0.109 0.000 1.064 230 V HN 0.445 nan 8.190 nan 0.000 0.434 231 P HA 0.497 nan 4.420 nan 0.000 0.296 231 P C 0.457 177.637 177.300 -0.199 0.000 1.301 231 P CA -0.276 62.719 63.100 -0.175 0.000 0.862 231 P CB 1.911 33.463 31.700 -0.247 0.000 1.046 232 E N 1.921 122.003 120.200 -0.197 0.000 2.033 232 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 232 E C 0.078 176.573 176.600 -0.174 0.000 1.011 232 E CA 1.448 57.717 56.400 -0.219 0.000 0.815 232 E CB -0.012 29.590 29.700 -0.163 0.000 0.755 232 E HN 0.369 nan 8.360 nan 0.000 0.451 233 N N -0.504 118.112 118.700 -0.141 0.000 2.675 233 N HA 0.065 4.805 4.740 -0.000 0.000 0.254 233 N C -0.579 174.868 175.510 -0.105 0.000 1.224 233 N CA -0.056 52.928 53.050 -0.111 0.000 0.777 233 N CB 0.906 39.347 38.487 -0.076 0.000 1.256 233 N HN -0.014 nan 8.380 nan 0.000 0.531 234 E N 1.272 121.403 120.200 -0.115 0.000 2.940 234 E HA 0.137 4.487 4.350 -0.000 0.000 0.203 234 E C 0.571 177.129 176.600 -0.070 0.000 0.995 234 E CA -0.191 56.150 56.400 -0.097 0.000 1.396 234 E CB 0.766 30.387 29.700 -0.131 0.000 1.310 234 E HN 0.592 nan 8.360 nan 0.000 0.613 235 I N 0.779 121.300 120.570 -0.082 0.000 3.276 235 I HA -0.088 4.082 4.170 -0.000 0.000 0.341 235 I C -0.024 176.094 176.117 0.001 0.000 1.151 235 I CA 1.345 62.623 61.300 -0.038 0.000 1.496 235 I CB 0.209 38.170 38.000 -0.065 0.000 1.264 235 I HN 0.161 nan 8.210 nan 0.000 0.525 236 G N 6.837 115.675 108.800 0.063 0.000 1.974 236 G HA2 0.469 4.429 3.960 -0.000 0.000 0.303 236 G HA3 0.469 4.429 3.960 -0.000 0.000 0.303 236 G C -1.326 173.679 174.900 0.175 0.000 2.080 236 G CA -0.248 44.894 45.100 0.070 0.000 0.896 236 G HN 1.202 nan 8.290 nan 0.000 0.514 237 F N 1.277 121.204 119.950 -0.037 0.000 2.665 237 F HA 0.699 5.226 4.527 -0.000 0.000 0.308 237 F C -0.466 175.323 175.800 -0.019 0.000 1.112 237 F CA -1.097 56.886 58.000 -0.029 0.000 0.972 237 F CB 1.596 40.574 39.000 -0.037 0.000 1.295 237 F HN 0.412 nan 8.300 nan 0.000 0.440 238 E N 3.920 123.658 120.200 -0.771 0.000 2.463 238 E HA 0.096 4.446 4.350 -0.000 0.000 0.248 238 E C 0.239 176.185 176.600 -1.091 0.000 1.106 238 E CA -0.005 55.941 56.400 -0.757 0.000 0.946 238 E CB 1.139 30.579 29.700 -0.434 0.000 0.971 238 E HN 0.731 nan 8.360 nan 0.000 0.478 239 V N 3.973 123.517 119.914 -0.616 0.000 2.256 239 V HA -0.048 4.072 4.120 -0.000 0.000 0.240 239 V C 0.318 176.256 176.094 -0.261 0.000 1.036 239 V CA 1.842 63.902 62.300 -0.400 0.000 1.008 239 V CB 0.215 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 -0.669 118.991 119.800 -0.234 0.000 2.435 240 Q HA 0.471 4.811 4.340 -0.000 0.000 0.282 240 Q C -0.982 174.891 176.000 -0.212 0.000 1.020 240 Q CA -0.618 55.079 55.803 -0.177 0.000 0.820 240 Q CB 1.746 30.393 28.738 -0.151 0.000 1.436 240 Q HN 0.482 nan 8.270 nan 0.000 0.395 241 R N 1.361 121.775 120.500 -0.143 0.000 2.720 241 R HA 0.745 5.085 4.340 -0.000 0.000 0.272 241 R C -0.939 175.279 176.300 -0.136 0.000 0.991 241 R CA -0.737 55.279 56.100 -0.140 0.000 1.010 241 R CB 1.070 31.333 30.300 -0.062 0.000 1.141 241 R HN 0.547 nan 8.270 nan 0.000 0.494 242 L N 0.027 121.159 121.223 -0.153 0.000 2.354 242 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 242 L C -0.489 176.463 176.870 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 -0.673 174.007 174.600 0.134 0.000 1.092 243 S CA -0.710 57.594 58.200 0.173 0.000 1.048 243 S CB 2.202 65.491 63.200 0.148 0.000 1.053 243 S HN 0.592 nan 8.310 nan 0.000 0.501 244 V N -1.060 118.851 119.914 -0.006 0.000 3.258 244 V HA 0.950 5.070 4.120 -0.000 0.000 0.299 244 V C -1.198 174.822 176.094 -0.122 0.000 1.376 244 V CA -0.969 61.253 62.300 -0.130 0.000 1.063 244 V CB 1.696 33.319 31.823 -0.333 0.000 1.103 244 V HN 0.987 nan 8.190 nan 0.000 0.451 245 T N -1.043 113.432 114.554 -0.131 0.000 3.176 245 T HA 0.440 4.790 4.350 -0.000 0.000 0.337 245 T C -0.991 173.666 174.700 -0.072 0.000 0.957 245 T CA -0.300 61.757 62.100 -0.071 0.000 1.092 245 T CB 0.738 69.613 68.868 0.011 0.000 1.018 245 T HN 1.080 nan 8.240 nan 0.000 0.473 246 D N 2.121 122.452 120.400 -0.116 0.000 2.312 246 D HA 0.334 4.974 4.640 -0.000 0.000 0.248 246 D C 0.299 176.675 176.300 0.127 0.000 1.086 246 D CA -0.694 53.279 54.000 -0.044 0.000 0.948 246 D CB 1.509 42.237 40.800 -0.120 0.000 1.162 246 D HN 0.388 nan 8.370 nan 0.000 0.446 247 L N 1.991 123.288 121.223 0.123 0.000 2.766 247 L HA 0.174 4.514 4.340 -0.000 0.000 0.242 247 L C 0.837 177.789 176.870 0.137 0.000 1.136 247 L CA -0.121 54.799 54.840 0.134 0.000 0.933 247 L CB 0.017 42.114 42.059 0.063 0.000 1.241 247 L HN 0.275 nan 8.230 nan 0.000 0.522 248 D N -0.417 120.085 120.400 0.171 0.000 2.289 248 D HA 0.040 4.680 4.640 -0.000 0.000 0.266 248 D C 0.394 176.760 176.300 0.109 0.000 1.243 248 D CA -0.267 53.810 54.000 0.129 0.000 1.019 248 D CB 0.379 41.260 40.800 0.134 0.000 1.126 248 D HN -0.054 nan 8.370 nan 0.000 0.541 249 M N 1.123 120.753 119.600 0.049 0.000 2.220 249 M HA 0.076 4.556 4.480 -0.000 0.000 0.343 249 M C -1.901 174.287 176.300 -0.186 0.000 1.470 249 M CA -1.225 54.038 55.300 -0.063 0.000 1.161 249 M CB 1.208 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 64.728 63.100 -1.297 0.000 0.995 250 P CB -0.168 30.927 31.700 -1.008 0.000 0.762 251 G N -2.432 106.135 108.800 -0.388 0.000 2.708 251 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.210 251 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.210 251 G C 0.170 175.066 174.900 -0.006 0.000 1.141 251 G CA 0.489 45.497 45.100 -0.154 0.000 0.788 251 G HN 0.302 nan 8.290 nan 0.000 0.531 252 T N 0.796 115.365 114.554 0.024 0.000 2.907 252 T HA 0.341 4.691 4.350 -0.000 0.000 0.284 252 T C -1.844 172.958 174.700 0.171 0.000 1.004 252 T CA -1.179 60.974 62.100 0.088 0.000 1.063 252 T CB 2.153 71.056 68.868 0.059 0.000 0.992 252 T HN -0.239 nan 8.240 nan 0.000 0.483 253 P HA 0.064 nan 4.420 nan 0.000 0.234 253 P C 0.502 177.846 177.300 0.073 0.000 1.162 253 P CA 0.328 63.473 63.100 0.075 0.000 0.759 253 P CB 0.029 31.748 31.700 0.032 0.000 0.813 254 A N -3.623 119.273 122.820 0.125 0.000 2.465 254 A HA 0.195 4.515 4.320 -0.000 0.000 0.255 254 A C 1.109 178.824 177.584 0.217 0.000 1.274 254 A CA -0.272 51.845 52.037 0.134 0.000 0.920 254 A CB -0.802 18.274 19.000 0.127 0.000 1.033 254 A HN 0.291 nan 8.150 nan 0.000 0.516 255 W N -0.871 120.426 121.300 -0.006 0.000 2.121 255 W HA 0.290 4.950 4.660 -0.000 0.000 0.275 255 W C 0.171 176.674 176.519 -0.027 0.000 0.903 255 W CA 0.123 57.460 57.345 -0.013 0.000 1.253 255 W CB 0.677 30.132 29.460 -0.008 0.000 1.016 255 W HN 0.150 nan 8.180 nan 0.000 0.537 256 Q N 2.362 122.191 119.800 0.049 0.000 2.274 256 Q HA 0.514 4.854 4.340 -0.000 0.000 0.256 256 Q C -0.267 175.615 176.000 -0.196 0.000 0.927 256 Q CA 0.028 55.782 55.803 -0.081 0.000 0.939 256 Q CB 1.579 30.337 28.738 0.032 0.000 1.201 256 Q HN 0.118 nan 8.270 nan 0.000 0.426 257 A N 3.499 126.140 122.820 -0.299 0.000 2.316 257 A HA 0.578 4.898 4.320 -0.000 0.000 0.284 257 A C -0.698 176.659 177.584 -0.377 0.000 1.115 257 A CA -0.442 51.346 52.037 -0.414 0.000 0.812 257 A CB 0.941 19.620 19.000 -0.534 0.000 1.064 257 A HN 0.510 nan 8.150 nan 0.000 0.489 258 V N 2.469 122.091 119.914 -0.488 0.000 2.638 258 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 258 V C -0.984 174.858 176.094 -0.420 0.000 1.052 258 V CA -0.277 61.843 62.300 -0.300 0.000 0.885 258 V CB 1.108 32.835 31.823 -0.161 0.000 0.999 258 V HN 0.911 nan 8.190 nan 0.000 0.424 259 Y N 3.053 123.349 120.300 -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 1.301 39.774 38.460 0.021 0.000 1.447 259 Y HN 0.587 nan 8.280 nan 0.000 0.616 260 K N 0.351 120.903 120.400 0.253 0.000 2.976 260 K HA 0.188 4.508 4.320 -0.000 0.000 0.326 260 K C -1.863 174.803 176.600 0.111 0.000 1.180 260 K CA -0.707 55.661 56.287 0.136 0.000 0.936 260 K CB 0.012 32.569 32.500 0.095 0.000 1.355 260 K HN 0.652 nan 8.250 nan 0.000 0.388 261 I N -0.239 120.376 120.570 0.074 0.000 2.834 261 I HA 0.335 4.505 4.170 -0.000 0.000 0.305 261 I C 0.881 177.031 176.117 0.056 0.000 1.008 261 I CA -0.671 60.658 61.300 0.048 0.000 1.273 261 I CB 1.061 39.086 38.000 0.042 0.000 1.432 261 I HN 0.753 nan 8.210 nan 0.000 0.557 262 R N 2.835 123.362 120.500 0.046 0.000 2.057 262 R HA 0.247 4.587 4.340 -0.000 0.000 0.224 262 R C -0.077 176.254 176.300 0.052 0.000 1.136 262 R CA 0.934 57.062 56.100 0.046 0.000 0.968 262 R CB -0.208 30.114 30.300 0.037 0.000 0.863 262 R HN 0.566 nan 8.270 nan 0.000 0.433 263 V N 2.433 122.384 119.914 0.062 0.000 2.483 263 V HA 0.218 4.338 4.120 -0.000 0.000 0.297 263 V C -0.541 175.626 176.094 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 33.777 31.823 0.073 0.000 0.995 263 V HN 0.170 nan 8.190 nan 0.000 0.424 264 N N 3.065 121.838 118.700 0.122 0.000 2.801 264 N HA 0.142 4.882 4.740 -0.000 0.000 0.235 264 N C 0.983 176.573 175.510 0.133 0.000 1.069 264 N CA -0.116 53.045 53.050 0.185 0.000 0.946 264 N CB 1.271 39.834 38.487 0.127 0.000 1.212 264 N HN 0.861 nan 8.380 nan 0.000 0.509 265 E N 2.610 122.981 120.200 0.284 0.000 2.160 265 E HA -0.219 4.131 4.350 -0.000 0.000 0.237 265 E C 1.176 177.687 176.600 -0.150 0.000 1.069 265 E CA 2.467 59.018 56.400 0.251 0.000 0.950 265 E CB -0.445 29.689 29.700 0.724 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 -1.004 0.000 3.453 266 G HA2 0.386 4.346 3.960 -0.000 0.000 0.263 266 G HA3 0.386 4.346 3.960 -0.000 0.000 0.263 266 G C 0.610 174.805 174.900 -1.174 0.000 1.060 266 G CA 0.213 44.457 45.100 -1.427 0.000 0.793 266 G HN 0.802 nan 8.290 nan 0.000 0.532 267 G N 0.800 109.195 108.800 -0.676 0.000 2.295 267 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.287 267 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.287 267 G C 0.317 175.091 174.900 -0.210 0.000 1.055 267 G CA 0.347 45.291 45.100 -0.259 0.000 0.922 267 G HN 0.944 nan 8.290 nan 0.000 0.503 268 F N -1.764 118.095 119.950 -0.151 0.000 2.963 268 F HA 0.730 5.257 4.527 -0.000 0.000 0.321 268 F C 0.019 175.300 175.800 -0.865 0.000 1.234 268 F CA -1.451 56.287 58.000 -0.437 0.000 1.296 268 F CB 0.176 38.874 39.000 -0.503 0.000 0.981 268 F HN -0.036 nan 8.300 nan 0.000 0.507 269 F N 0.760 120.816 119.950 0.176 0.000 2.615 269 F HA 0.404 4.931 4.527 -0.000 0.000 0.312 269 F C -0.774 175.045 175.800 0.031 0.000 1.119 269 F CA -1.219 56.822 58.000 0.068 0.000 0.979 269 F CB 1.915 40.942 39.000 0.046 0.000 1.266 269 F HN -0.047 nan 8.300 nan 0.000 0.444 270 N N 2.342 121.168 118.700 0.210 0.000 2.229 270 N HA 0.701 5.441 4.740 -0.000 0.000 0.298 270 N C -1.924 173.625 175.510 0.066 0.000 1.114 270 N CA -0.538 52.577 53.050 0.109 0.000 0.776 270 N CB 2.364 40.888 38.487 0.061 0.000 1.501 270 N HN 0.726 nan 8.380 nan 0.000 0.474 271 I N 1.267 121.857 120.570 0.034 0.000 2.571 271 I HA 0.466 4.636 4.170 -0.000 0.000 0.289 271 I C -0.947 175.173 176.117 0.004 0.000 1.115 271 I CA -0.203 61.085 61.300 -0.020 0.000 1.045 271 I CB 1.789 39.749 38.000 -0.067 0.000 1.238 271 I HN 0.460 nan 8.210 nan 0.000 0.424 272 T N 3.990 118.533 114.554 -0.017 0.000 2.919 272 T HA 0.600 4.950 4.350 -0.000 0.000 0.282 272 T C -0.472 174.248 174.700 0.033 0.000 1.020 272 T CA -0.515 61.598 62.100 0.021 0.000 0.994 272 T CB 1.807 70.681 68.868 0.010 0.000 1.180 272 T HN 0.606 nan 8.240 nan 0.000 0.566 273 T N 1.152 115.753 114.554 0.078 0.000 2.932 273 T HA 0.683 5.033 4.350 -0.000 0.000 0.289 273 T C -1.247 173.486 174.700 0.055 0.000 1.039 273 T CA -0.794 61.375 62.100 0.115 0.000 1.024 273 T CB 1.677 70.637 68.868 0.153 0.000 1.090 273 T HN 0.632 nan 8.240 nan 0.000 0.496 274 D N 0.707 121.135 120.400 0.047 0.000 2.936 274 D HA 0.379 5.019 4.640 -0.000 0.000 0.238 274 D C -2.764 173.567 176.300 0.053 0.000 1.248 274 D CA -2.279 51.744 54.000 0.039 0.000 0.903 274 D CB 2.059 42.874 40.800 0.024 0.000 1.544 274 D HN 0.035 nan 8.370 nan 0.000 0.543 275 P HA 0.086 nan 4.420 nan 0.000 0.238 275 P C -0.179 177.208 177.300 0.145 0.000 1.649 275 P CA 0.439 63.619 63.100 0.134 0.000 0.960 275 P CB -0.045 31.727 31.700 0.121 0.000 1.911 276 E N -1.835 118.442 120.200 0.128 0.000 2.357 276 E HA 0.148 4.498 4.350 -0.000 0.000 0.190 276 E C 0.582 177.294 176.600 0.187 0.000 1.022 276 E CA -0.097 56.377 56.400 0.123 0.000 1.068 276 E CB -0.302 29.441 29.700 0.072 0.000 1.465 276 E HN -0.087 nan 8.360 nan 0.000 0.503 277 S N 0.706 116.478 115.700 0.120 0.000 2.901 277 S HA 0.139 4.609 4.470 -0.000 0.000 0.248 277 S C -0.622 173.936 174.600 -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 62.251 63.200 0.093 0.000 1.039 277 S HN 0.510 nan 8.310 nan 0.000 0.514 278 N N 1.345 120.001 118.700 -0.074 0.000 2.745 278 N HA -0.247 4.493 4.740 -0.000 0.000 0.271 278 N C -0.124 175.358 175.510 -0.048 0.000 0.960 278 N CA 0.418 53.401 53.050 -0.112 0.000 0.833 278 N CB -0.919 37.393 38.487 -0.292 0.000 0.919 278 N HN 0.586 nan 8.380 nan 0.000 0.566 279 Q N -0.033 119.764 119.800 -0.005 0.000 2.443 279 Q HA 0.236 4.576 4.340 -0.000 0.000 0.232 279 Q C 0.784 176.769 176.000 -0.025 0.000 1.026 279 Q CA 0.163 55.968 55.803 0.003 0.000 0.924 279 Q CB 0.802 29.537 28.738 -0.005 0.000 1.256 279 Q HN 0.538 nan 8.270 nan 0.000 0.519 280 G N 1.334 110.025 108.800 -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 -0.420 44.338 45.100 -0.571 0.000 0.953 280 G HN 0.546 nan 8.290 nan 0.000 0.420 281 I N 3.915 124.328 120.570 -0.262 0.000 2.330 281 I HA 0.407 4.577 4.170 -0.000 0.000 0.286 281 I C -0.326 175.673 176.117 -0.196 0.000 1.025 281 I CA -0.832 60.352 61.300 -0.193 0.000 1.197 281 I CB 0.689 38.621 38.000 -0.114 0.000 1.358 281 I HN 0.251 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 0.651 4.991 4.340 -0.000 0.000 0.275 282 L C -0.191 176.591 176.870 -0.147 0.000 1.056 282 L CA -0.061 54.666 54.840 -0.188 0.000 0.804 282 L CB 1.634 43.543 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 0.442 4.792 4.350 -0.000 0.000 0.296 283 T C -0.564 174.221 174.700 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 70.372 68.868 -0.049 0.000 1.368 283 T HN 0.551 nan 8.240 nan 0.000 0.509 284 T N -0.065 114.534 114.554 0.075 0.000 2.771 284 T HA 0.654 5.004 4.350 -0.000 0.000 0.291 284 T C 1.394 176.061 174.700 -0.055 0.000 0.954 284 T CA -0.361 61.730 62.100 -0.015 0.000 1.045 284 T CB 1.283 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 3.333 126.072 122.820 -0.136 0.000 1.843 285 A HA 0.093 4.413 4.320 -0.000 0.000 0.213 285 A C 1.232 178.790 177.584 -0.045 0.000 1.202 285 A CA 0.515 52.518 52.037 -0.057 0.000 0.607 285 A CB -0.178 18.800 19.000 -0.037 0.000 0.847 285 A HN 0.879 nan 8.150 nan 0.000 0.445 286 K N -0.919 119.448 120.400 -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 1.499 110.257 108.800 -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 45.149 45.100 -0.095 0.000 0.949 287 G HN 0.384 nan 8.290 nan 0.000 0.556 288 L N -1.975 119.126 121.223 -0.203 0.000 2.563 288 L HA 0.891 5.231 4.340 -0.000 0.000 0.255 288 L C 0.586 177.353 176.870 -0.172 0.000 1.444 288 L CA 0.060 54.715 54.840 -0.308 0.000 1.526 288 L CB 1.450 43.118 42.059 -0.651 0.000 1.929 288 L HN 0.697 nan 8.230 nan 0.000 0.563 289 D N -1.373 118.852 120.400 -0.291 0.000 3.244 289 D HA 0.194 4.834 4.640 -0.000 0.000 0.292 289 D C -1.085 175.328 176.300 0.188 0.000 1.652 289 D CA -0.135 53.922 54.000 0.094 0.000 0.803 289 D CB 0.263 41.282 40.800 0.366 0.000 1.390 289 D HN 0.335 nan 8.370 nan 0.000 0.528 290 F N -1.910 118.043 119.950 0.005 0.000 2.877 290 F HA 0.677 5.204 4.527 -0.000 0.000 0.319 290 F C 0.170 175.983 175.800 0.022 0.000 1.174 290 F CA -1.008 57.003 58.000 0.019 0.000 0.903 290 F CB 0.843 39.861 39.000 0.032 0.000 1.357 290 F HN -0.283 nan 8.300 nan 0.000 0.472 291 E N 0.110 120.551 120.200 0.402 0.000 2.630 291 E HA 0.397 4.747 4.350 -0.000 0.000 0.218 291 E C 0.917 177.622 176.600 0.175 0.000 0.977 291 E CA 0.114 56.645 56.400 0.218 0.000 1.038 291 E CB 0.619 30.402 29.700 0.138 0.000 1.051 291 E HN 0.645 nan 8.360 nan 0.000 0.487 292 L N -0.091 121.243 121.223 0.185 0.000 2.286 292 L HA 0.297 4.637 4.340 -0.000 0.000 0.203 292 L C 0.488 177.194 176.870 -0.274 0.000 1.068 292 L CA 0.490 55.177 54.840 -0.256 0.000 0.811 292 L CB 0.344 41.983 42.059 -0.701 0.000 0.989 292 L HN -0.082 nan 8.230 nan 0.000 0.467 293 R N -0.567 119.909 120.500 -0.040 0.000 2.668 293 R HA 0.281 4.621 4.340 -0.000 0.000 0.272 293 R C -0.300 176.276 176.300 0.459 0.000 1.019 293 R CA -0.432 55.762 56.100 0.156 0.000 0.894 293 R CB 2.257 32.525 30.300 -0.053 0.000 1.228 293 R HN -0.180 nan 8.270 nan 0.000 0.460 294 K N 0.358 120.853 120.400 0.157 0.000 2.436 294 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 294 K C -0.132 176.513 176.600 0.076 0.000 1.174 294 K CA 0.415 56.785 56.287 0.137 0.000 0.951 294 K CB 0.970 33.519 32.500 0.081 0.000 1.040 294 K HN 0.422 nan 8.250 nan 0.000 0.536 295 Q N 0.125 119.874 119.800 -0.085 0.000 2.245 295 Q HA 0.268 4.608 4.340 -0.000 0.000 0.256 295 Q C -1.548 174.182 176.000 -0.449 0.000 0.942 295 Q CA -0.622 55.100 55.803 -0.135 0.000 0.896 295 Q CB 1.640 30.321 28.738 -0.095 0.000 1.272 295 Q HN 0.118 nan 8.270 nan 0.000 0.442 296 Y N 0.482 120.810 120.300 0.048 0.000 2.317 296 Y HA 0.258 4.808 4.550 -0.000 0.000 0.329 296 Y C -0.826 175.064 175.900 -0.018 0.000 1.101 296 Y CA -0.652 57.468 58.100 0.032 0.000 1.228 296 Y CB 1.554 40.026 38.460 0.020 0.000 1.123 296 Y HN 0.288 nan 8.280 nan 0.000 0.457 297 V N 6.443 126.412 119.914 0.091 0.000 2.313 297 V HA 0.523 4.643 4.120 -0.000 0.000 0.278 297 V C -0.404 175.714 176.094 0.041 0.000 1.017 297 V CA -0.482 61.843 62.300 0.040 0.000 0.823 297 V CB 0.636 32.469 31.823 0.015 0.000 1.010 297 V HN 0.567 nan 8.190 nan 0.000 0.443 298 L N 3.214 124.436 121.223 -0.002 0.000 2.350 298 L HA 0.813 5.153 4.340 -0.000 0.000 0.260 298 L C -0.909 175.926 176.870 -0.057 0.000 1.015 298 L CA -0.942 53.885 54.840 -0.022 0.000 0.821 298 L CB 2.331 44.352 42.059 -0.063 0.000 1.370 298 L HN 0.371 nan 8.230 nan 0.000 0.416 299 Q N 1.407 121.182 119.800 -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 -0.706 55.065 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 0.484 nan 8.270 nan 0.000 0.441 300 I N 1.421 121.966 120.570 -0.041 0.000 2.466 300 I HA 0.276 4.446 4.170 -0.000 0.000 0.289 300 I C 0.011 176.243 176.117 0.192 0.000 1.026 300 I CA -0.290 61.053 61.300 0.071 0.000 1.078 300 I CB 2.074 40.117 38.000 0.071 0.000 1.249 300 I HN 0.611 nan 8.210 nan 0.000 0.429 301 T N 3.026 117.714 114.554 0.223 0.000 2.934 301 T HA 0.779 5.129 4.350 -0.000 0.000 0.283 301 T C -0.449 174.409 174.700 0.263 0.000 1.005 301 T CA -0.829 61.424 62.100 0.255 0.000 1.041 301 T CB 1.943 70.898 68.868 0.145 0.000 1.042 301 T HN 0.397 nan 8.240 nan 0.000 0.505 302 V N 1.536 121.548 119.914 0.162 0.000 2.588 302 V HA 0.600 4.720 4.120 -0.000 0.000 0.304 302 V C -0.937 175.078 176.094 -0.132 0.000 1.042 302 V CA -0.570 61.618 62.300 -0.187 0.000 0.877 302 V CB 1.549 33.108 31.823 -0.440 0.000 0.996 302 V HN 1.116 nan 8.190 nan 0.000 0.425 303 E N 4.406 124.498 120.200 -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 -1.202 117.430 118.700 -0.114 0.000 2.525 304 N HA 0.375 5.115 4.740 -0.000 0.000 0.288 304 N C 0.300 175.712 175.510 -0.164 0.000 1.242 304 N CA -0.216 52.762 53.050 -0.121 0.000 0.905 304 N CB 1.444 39.904 38.487 -0.046 0.000 1.258 304 N HN 0.480 nan 8.380 nan 0.000 0.551 305 A N 0.231 122.983 122.820 -0.114 0.000 1.897 305 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 305 A C 0.505 178.014 177.584 -0.126 0.000 1.181 305 A CA 1.197 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 0.611 120.734 120.200 -0.128 0.000 2.231 306 E HA 0.499 4.849 4.350 -0.000 0.000 0.277 306 E C -2.747 173.690 176.600 -0.273 0.000 0.999 306 E CA -2.379 53.936 56.400 -0.142 0.000 0.827 306 E CB 0.484 30.141 29.700 -0.072 0.000 1.101 306 E HN 0.071 nan 8.360 nan 0.000 0.393 307 P HA -0.062 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 0.147 63.000 63.100 -0.412 0.000 0.803 307 P CB 0.234 31.820 31.700 -0.191 0.000 0.974 308 F N -1.351 118.596 119.950 -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 0.365 39.363 39.000 -0.004 0.000 1.156 308 F HN 0.099 nan 8.300 nan 0.000 0.483 309 S N 0.558 116.392 115.700 0.224 0.000 2.786 309 S HA 0.339 4.809 4.470 -0.000 0.000 0.223 309 S C 0.025 174.688 174.600 0.105 0.000 0.956 309 S CA -0.073 58.202 58.200 0.124 0.000 0.961 309 S CB -0.482 62.777 63.200 0.098 0.000 0.784 309 S HN 0.393 nan 8.310 nan 0.000 0.519 310 V N 0.836 120.828 119.914 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 -1.889 60.451 62.300 0.066 0.000 1.006 310 V CB 2.111 33.949 31.823 0.026 0.000 1.244 310 V HN -0.031 nan 8.190 nan 0.000 0.458 311 P HA 0.573 nan 4.420 nan 0.000 0.271 311 P C -1.146 176.110 177.300 -0.074 0.000 1.216 311 P CA 0.162 63.265 63.100 0.006 0.000 0.776 311 P CB 0.482 32.187 31.700 0.008 0.000 0.881 312 L N 3.140 124.277 121.223 -0.143 0.000 2.491 312 L HA 0.562 4.902 4.340 -0.000 0.000 0.254 312 L C -2.282 174.477 176.870 -0.185 0.000 1.048 312 L CA -1.842 52.855 54.840 -0.239 0.000 0.855 312 L CB 2.309 44.054 42.059 -0.522 0.000 1.466 312 L HN 0.302 nan 8.230 nan 0.000 0.409 313 P HA 0.253 nan 4.420 nan 0.000 0.293 313 P C -1.097 176.154 177.300 -0.083 0.000 1.300 313 P CA -0.332 62.716 63.100 -0.086 0.000 0.792 313 P CB 1.119 32.786 31.700 -0.055 0.000 0.925 314 T N 1.674 116.216 114.554 -0.021 0.000 2.779 314 T HA 0.212 4.562 4.350 -0.000 0.000 0.296 314 T C 0.358 175.100 174.700 0.070 0.000 0.938 314 T CA 0.220 62.340 62.100 0.033 0.000 1.119 314 T CB 0.154 69.067 68.868 0.074 0.000 0.891 314 T HN 0.262 nan 8.240 nan 0.000 0.526 315 S N 2.789 118.559 115.700 0.117 0.000 2.530 315 S HA 0.462 4.932 4.470 -0.000 0.000 0.322 315 S C 0.407 175.249 174.600 0.404 0.000 1.085 315 S CA -0.858 57.466 58.200 0.206 0.000 1.096 315 S CB 0.738 64.058 63.200 0.201 0.000 0.988 315 S HN 0.778 nan 8.310 nan 0.000 0.466 316 T N 2.532 117.203 114.554 0.195 0.000 2.882 316 T HA 0.671 5.021 4.350 -0.000 0.000 0.287 316 T C -0.016 174.477 174.700 -0.346 0.000 1.014 316 T CA -0.770 61.346 62.100 0.026 0.000 1.049 316 T CB 1.149 70.015 68.868 -0.003 0.000 1.001 316 T HN 0.627 nan 8.240 nan 0.000 0.525 317 A N 1.718 124.188 122.820 -0.584 0.000 2.330 317 A HA 0.640 4.960 4.320 -0.000 0.000 0.313 317 A C 0.121 177.523 177.584 -0.304 0.000 1.124 317 A CA -0.926 50.686 52.037 -0.709 0.000 0.774 317 A CB 0.758 18.999 19.000 -1.265 0.000 1.198 317 A HN 0.774 nan 8.150 nan 0.000 0.465 318 T N 1.335 115.783 114.554 -0.176 0.000 2.744 318 T HA 0.567 4.917 4.350 -0.000 0.000 0.291 318 T C -0.287 174.378 174.700 -0.058 0.000 0.957 318 T CA -0.464 61.579 62.100 -0.096 0.000 1.002 318 T CB 1.110 69.942 68.868 -0.059 0.000 0.919 318 T HN 0.456 nan 8.240 nan 0.000 0.468 319 V N 2.840 122.712 119.914 -0.070 0.000 2.789 319 V HA 0.538 4.658 4.120 -0.000 0.000 0.311 319 V C -0.042 176.032 176.094 -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 3.950 118.504 114.554 -0.000 0.000 2.770 320 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 320 T C -0.494 174.228 174.700 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 3.213 123.179 119.914 0.086 0.000 2.715 321 V HA 0.703 4.823 4.120 -0.000 0.000 0.310 321 V C 0.120 176.313 176.094 0.165 0.000 1.054 321 V CA -0.811 61.553 62.300 0.107 0.000 0.928 321 V CB 2.172 34.046 31.823 0.085 0.000 1.007 321 V HN 0.895 nan 8.190 nan 0.000 0.437 322 T N 2.398 117.022 114.554 0.117 0.000 2.879 322 T HA 0.471 4.821 4.350 -0.000 0.000 0.290 322 T C -0.572 174.173 174.700 0.075 0.000 0.993 322 T CA -0.398 61.765 62.100 0.104 0.000 0.975 322 T CB 1.656 70.562 68.868 0.064 0.000 0.981 322 T HN 0.400 nan 8.240 nan 0.000 0.439 323 V N 4.019 123.973 119.914 0.067 0.000 2.368 323 V HA 0.250 4.370 4.120 -0.000 0.000 0.266 323 V C 0.691 176.769 176.094 -0.027 0.000 1.045 323 V CA -0.706 61.582 62.300 -0.020 0.000 0.899 323 V CB 0.378 32.126 31.823 -0.125 0.000 1.006 323 V HN 0.828 nan 8.190 nan 0.000 0.470 324 E N 2.687 122.865 120.200 -0.037 0.000 2.392 324 E HA 0.195 4.545 4.350 -0.000 0.000 0.259 324 E C -0.669 175.899 176.600 -0.052 0.000 1.108 324 E CA -0.326 56.053 56.400 -0.034 0.000 0.916 324 E CB 0.738 30.414 29.700 -0.039 0.000 0.989 324 E HN 0.684 nan 8.360 nan 0.000 0.432 325 D N 0.775 121.154 120.400 -0.036 0.000 2.185 325 D HA 0.333 4.973 4.640 -0.000 0.000 0.247 325 D C -1.675 174.601 176.300 -0.041 0.000 1.027 325 D CA -0.546 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 -1.179 174.898 176.094 -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 3.943 122.627 118.700 -0.027 0.000 2.424 327 N HA 0.426 5.166 4.740 -0.000 0.000 0.271 327 N C -0.631 174.868 175.510 -0.018 0.000 0.985 327 N CA -0.283 52.757 53.050 -0.017 0.000 0.921 327 N CB 1.713 40.188 38.487 -0.019 0.000 1.149 327 N HN 0.793 nan 8.380 nan 0.000 0.492 328 E N 0.890 121.087 120.200 -0.004 0.000 2.250 328 E HA 0.638 4.988 4.350 -0.000 0.000 0.265 328 E C -0.157 176.443 176.600 0.000 0.000 1.033 328 E CA -0.871 55.528 56.400 -0.002 0.000 0.888 328 E CB 0.793 30.502 29.700 0.014 0.000 1.151 328 E HN 0.626 nan 8.360 nan 0.000 0.412 329 A N 2.011 124.827 122.820 -0.006 0.000 2.507 329 A HA 0.311 4.631 4.320 -0.000 0.000 0.235 329 A C -2.132 175.465 177.584 0.022 0.000 1.070 329 A CA -0.726 51.299 52.037 -0.021 0.000 0.768 329 A CB -0.503 18.476 19.000 -0.036 0.000 1.011 329 A HN 0.360 nan 8.150 nan 0.000 0.502 330 P HA 0.662 nan 4.420 nan 0.000 0.284 330 P C -0.903 176.361 177.300 -0.060 0.000 1.292 330 P CA -0.268 62.761 63.100 -0.117 0.000 0.800 330 P CB 0.497 32.061 31.700 -0.226 0.000 1.188 331 F N -2.929 116.921 119.950 -0.166 0.000 2.615 331 F HA 0.602 5.129 4.527 -0.000 0.000 0.312 331 F C -1.077 174.656 175.800 -0.110 0.000 1.119 331 F CA -1.450 56.420 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 0.003 nan 8.300 nan 0.000 0.444 332 F N 1.565 121.623 119.950 0.180 0.000 2.490 332 F HA 0.388 4.915 4.527 -0.000 0.000 0.336 332 F C 1.537 177.483 175.800 0.244 0.000 1.178 332 F CA -0.555 57.528 58.000 0.138 0.000 1.301 332 F CB 0.144 39.227 39.000 0.139 0.000 1.175 332 F HN 0.491 nan 8.300 nan 0.000 0.593 333 V N -0.735 119.407 119.914 0.380 0.000 2.251 333 V HA -0.034 4.086 4.120 -0.000 0.000 0.230 333 V C -1.321 174.954 176.094 0.301 0.000 1.032 333 V CA 0.462 62.977 62.300 0.358 0.000 0.997 333 V CB -2.178 29.782 31.823 0.228 0.000 0.643 333 V HN 0.596 nan 8.190 nan 0.000 0.462 334 P HA 0.559 nan 4.420 nan 0.000 0.323 334 P C -1.059 176.342 177.300 0.168 0.000 1.309 334 P CA -0.126 63.067 63.100 0.156 0.000 0.739 334 P CB 0.309 32.069 31.700 0.100 0.000 1.454 335 A N -0.173 122.713 122.820 0.109 0.000 2.702 335 A HA 0.492 4.812 4.320 -0.000 0.000 0.305 335 A C -0.800 176.814 177.584 0.049 0.000 1.213 335 A CA -0.571 51.519 52.037 0.089 0.000 0.745 335 A CB 0.004 19.055 19.000 0.084 0.000 1.161 335 A HN 0.211 nan 8.150 nan 0.000 0.445 336 V N 1.337 121.267 119.914 0.027 0.000 2.439 336 V HA 0.306 4.426 4.120 -0.000 0.000 0.271 336 V C 0.937 177.041 176.094 0.016 0.000 1.040 336 V CA -0.001 62.309 62.300 0.016 0.000 1.002 336 V CB 0.958 32.779 31.823 -0.003 0.000 1.000 336 V HN 0.731 nan 8.190 nan 0.000 0.477 337 S N 4.548 120.264 115.700 0.028 0.000 3.158 337 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 337 S C 0.823 175.451 174.600 0.047 0.000 1.359 337 S CA -0.494 57.729 58.200 0.038 0.000 0.974 337 S CB -0.178 63.044 63.200 0.037 0.000 1.336 337 S HN 0.838 nan 8.310 nan 0.000 0.488 338 R N 1.935 122.462 120.500 0.046 0.000 2.009 338 R HA 0.261 4.601 4.340 -0.000 0.000 0.206 338 R C 0.030 176.361 176.300 0.051 0.000 1.356 338 R CA 0.651 56.775 56.100 0.041 0.000 1.088 338 R CB -0.146 30.168 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 0.318 32.166 31.823 0.042 0.000 1.177 339 V HN 0.174 nan 8.190 nan 0.000 0.492 340 D N 3.703 124.126 120.400 0.039 0.000 2.416 340 D HA 0.304 4.944 4.640 -0.000 0.000 0.240 340 D C -0.151 176.117 176.300 -0.052 0.000 1.250 340 D CA 0.514 54.494 54.000 -0.034 0.000 0.967 340 D CB 1.283 41.987 40.800 -0.159 0.000 1.059 340 D HN 0.499 nan 8.370 nan 0.000 0.512 341 V N 1.809 121.719 119.914 -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 -0.680 61.609 62.300 -0.019 0.000 0.905 341 V CB 2.016 33.838 31.823 -0.002 0.000 0.997 341 V HN 0.523 nan 8.190 nan 0.000 0.436 342 S N 3.347 119.020 115.700 -0.045 0.000 2.632 342 S HA 0.290 4.760 4.470 -0.000 0.000 0.267 342 S C 0.951 175.510 174.600 -0.068 0.000 1.276 342 S CA 0.388 58.559 58.200 -0.049 0.000 0.998 342 S CB 1.197 64.367 63.200 -0.051 0.000 0.953 342 S HN 0.935 nan 8.310 nan 0.000 0.547 343 E N 0.207 120.363 120.200 -0.073 0.000 2.204 343 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 343 E C 0.923 177.453 176.600 -0.117 0.000 0.990 343 E CA 1.271 57.604 56.400 -0.111 0.000 0.821 343 E CB -0.225 29.421 29.700 -0.090 0.000 0.750 343 E HN 0.871 nan 8.360 nan 0.000 0.477 344 D N -0.081 120.268 120.400 -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 1.241 122.408 121.223 -0.093 0.000 2.525 345 L HA 0.012 4.352 4.340 -0.000 0.000 0.278 345 L C 0.222 177.041 176.870 -0.085 0.000 1.218 345 L CA -0.215 54.575 54.840 -0.084 0.000 0.878 345 L CB 0.486 42.493 42.059 -0.086 0.000 1.127 345 L HN 0.163 nan 8.230 nan 0.000 0.492 346 S N 4.561 120.223 115.700 -0.063 0.000 2.430 346 S HA 0.131 4.601 4.470 -0.000 0.000 0.282 346 S C 0.297 174.866 174.600 -0.052 0.000 1.186 346 S CA -0.780 57.387 58.200 -0.055 0.000 1.060 346 S CB 0.452 63.627 63.200 -0.041 0.000 0.966 346 S HN 0.635 nan 8.310 nan 0.000 0.501 347 R N 2.879 123.345 120.500 -0.057 0.000 3.501 347 R HA 0.177 4.517 4.340 -0.000 0.000 0.332 347 R C 0.929 177.212 176.300 -0.029 0.000 0.776 347 R CA 1.113 57.186 56.100 -0.046 0.000 1.007 347 R CB -1.332 28.942 30.300 -0.043 0.000 0.929 347 R HN 1.182 nan 8.270 nan 0.000 0.372 348 G N 2.845 111.630 108.800 -0.025 0.000 2.441 348 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.139 348 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.139 348 G C -0.925 173.963 174.900 -0.021 0.000 1.067 348 G CA -0.704 44.385 45.100 -0.018 0.000 0.766 348 G HN 0.511 nan 8.290 nan 0.000 0.484 349 E N 0.364 120.550 120.200 -0.023 0.000 2.293 349 E HA 0.311 4.661 4.350 -0.000 0.000 0.270 349 E C 0.064 176.651 176.600 -0.022 0.000 0.879 349 E CA -0.840 55.546 56.400 -0.024 0.000 0.756 349 E CB 1.487 31.170 29.700 -0.030 0.000 1.208 349 E HN 0.344 nan 8.360 nan 0.000 0.428 350 K N 2.896 123.282 120.400 -0.023 0.000 2.402 350 K HA 0.064 4.384 4.320 -0.000 0.000 0.279 350 K C 0.844 177.432 176.600 -0.020 0.000 1.082 350 K CA 0.398 56.670 56.287 -0.024 0.000 1.080 350 K CB 0.511 32.995 32.500 -0.025 0.000 0.899 350 K HN 0.409 nan 8.250 nan 0.000 0.469 351 I N 2.979 123.539 120.570 -0.017 0.000 3.098 351 I HA 0.043 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 0.275 61.570 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 -0.352 120.205 120.570 -0.023 0.000 2.493 352 I HA 0.344 4.514 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 -0.675 60.604 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 7.291 122.959 115.700 -0.054 0.000 2.405 353 S HA 0.609 5.079 4.470 -0.000 0.000 0.291 353 S C -0.131 174.425 174.600 -0.074 0.000 1.137 353 S CA -0.719 57.438 58.200 -0.072 0.000 1.061 353 S CB 0.411 63.579 63.200 -0.053 0.000 1.001 353 S HN 0.574 nan 8.310 nan 0.000 0.507 354 L N 1.344 122.500 121.223 -0.112 0.000 2.286 354 L HA 0.987 5.327 4.340 -0.000 0.000 0.265 354 L C -0.316 176.501 176.870 -0.089 0.000 1.012 354 L CA -1.400 53.387 54.840 -0.087 0.000 0.818 354 L CB 0.547 42.543 42.059 -0.105 0.000 1.337 354 L HN 0.472 nan 8.230 nan 0.000 0.438 355 V N -3.115 116.810 119.914 0.019 0.000 3.049 355 V HA 1.061 5.181 4.120 -0.000 0.000 0.309 355 V C -0.406 175.815 176.094 0.212 0.000 1.148 355 V CA -0.366 61.994 62.300 0.100 0.000 0.990 355 V CB 1.021 32.882 31.823 0.063 0.000 1.039 355 V HN 1.418 nan 8.190 nan 0.000 0.430 356 A N 1.984 124.962 122.820 0.263 0.000 2.423 356 A HA 0.924 5.244 4.320 -0.000 0.000 0.304 356 A C -0.879 176.607 177.584 -0.163 0.000 1.104 356 A CA -0.798 51.308 52.037 0.115 0.000 0.757 356 A CB 2.175 21.297 19.000 0.204 0.000 1.313 356 A HN 0.866 nan 8.150 nan 0.000 0.423 357 Q N 0.579 120.017 119.800 -0.603 0.000 2.387 357 Q HA 0.399 4.739 4.340 -0.000 0.000 0.273 357 Q C -1.742 173.709 176.000 -0.914 0.000 1.089 357 Q CA -0.566 54.806 55.803 -0.719 0.000 0.824 357 Q CB 2.773 31.093 28.738 -0.697 0.000 1.367 357 Q HN 0.834 nan 8.270 nan 0.000 0.443 358 D N 1.987 122.145 120.400 -0.403 0.000 2.649 358 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 358 D C -1.699 174.591 176.300 -0.017 0.000 1.112 358 D CA -1.769 52.122 54.000 -0.182 0.000 0.850 358 D CB 2.229 42.954 40.800 -0.126 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 0.936 64.116 63.100 0.133 0.000 0.938 359 P CB -0.364 31.421 31.700 0.143 0.000 0.777 360 D N 1.584 122.014 120.400 0.049 0.000 2.899 360 D HA -0.057 4.583 4.640 -0.000 0.000 0.254 360 D C 0.669 176.985 176.300 0.027 0.000 1.320 360 D CA 0.543 54.564 54.000 0.035 0.000 0.929 360 D CB -0.494 40.317 40.800 0.018 0.000 1.148 360 D HN 0.180 nan 8.370 nan 0.000 0.571 361 K N 3.024 123.444 120.400 0.034 0.000 2.110 361 K HA -0.032 4.288 4.320 -0.000 0.000 0.260 361 K C 0.151 176.764 176.600 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 0.606 nan 8.250 nan 0.000 0.369 362 Q N 2.683 122.491 119.800 0.014 0.000 1.752 362 Q HA -0.033 4.307 4.340 -0.000 0.000 0.169 362 Q C -0.568 175.434 176.000 0.004 0.000 0.747 362 Q CA -0.180 55.629 55.803 0.009 0.000 0.814 362 Q CB 0.471 29.214 28.738 0.008 0.000 1.218 362 Q HN 0.569 nan 8.270 nan 0.000 0.384 363 Q N 1.730 121.532 119.800 0.004 0.000 2.851 363 Q HA -0.066 4.274 4.340 -0.000 0.000 0.319 363 Q C -0.297 175.702 176.000 -0.002 0.000 1.225 363 Q CA 1.046 56.848 55.803 -0.003 0.000 1.110 363 Q CB -0.566 28.171 28.738 -0.002 0.000 1.128 363 Q HN 0.466 nan 8.270 nan 0.000 0.440 364 I N 0.869 121.436 120.570 -0.005 0.000 2.816 364 I HA 0.184 4.354 4.170 -0.000 0.000 0.279 364 I C -1.645 174.467 176.117 -0.008 0.000 1.662 364 I CA -0.337 60.961 61.300 -0.004 0.000 0.785 364 I CB 0.727 38.726 38.000 -0.001 0.000 1.738 364 I HN 0.329 nan 8.210 nan 0.000 0.561 365 Q N 2.058 121.850 119.800 -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 1.437 30.160 28.738 -0.026 0.000 1.448 365 Q HN 0.469 nan 8.270 nan 0.000 0.439 366 K N 2.084 122.470 120.400 -0.025 0.000 2.288 366 K HA 0.786 5.106 4.320 -0.000 0.000 0.234 366 K C -0.878 175.687 176.600 -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 -0.010 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 -1.012 175.771 176.870 -0.146 0.000 1.039 367 L CA -0.768 53.983 54.840 -0.148 0.000 0.846 367 L CB 1.803 43.708 42.059 -0.258 0.000 1.419 367 L HN 0.577 nan 8.230 nan 0.000 0.435 368 S N -1.525 114.129 115.700 -0.077 0.000 2.532 368 S HA 0.693 5.163 4.470 -0.000 0.000 0.299 368 S C -1.290 173.425 174.600 0.192 0.000 1.105 368 S CA -0.547 57.717 58.200 0.106 0.000 1.018 368 S CB 0.617 64.054 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 -0.427 175.599 175.900 0.211 0.000 1.016 369 Y CA -0.739 57.529 58.100 0.279 0.000 1.196 369 Y CB 0.280 38.834 38.460 0.156 0.000 1.167 369 Y HN 0.586 nan 8.280 nan 0.000 0.509 370 F N 2.888 122.968 119.950 0.216 0.000 2.546 370 F HA 0.526 5.053 4.527 -0.000 0.000 0.320 370 F C -0.214 175.673 175.800 0.144 0.000 1.076 370 F CA -1.308 56.775 58.000 0.140 0.000 0.928 370 F CB 0.982 40.036 39.000 0.089 0.000 1.189 370 F HN 0.218 nan 8.300 nan 0.000 0.465 371 I N 0.350 121.070 120.570 0.250 0.000 3.514 371 I HA 0.703 4.873 4.170 -0.000 0.000 0.300 371 I C 1.077 177.288 176.117 0.156 0.000 1.194 371 I CA -0.304 61.092 61.300 0.160 0.000 0.968 371 I CB 1.241 39.287 38.000 0.077 0.000 1.418 371 I HN 0.691 nan 8.210 nan 0.000 0.614 372 G N 0.508 109.363 108.800 0.091 0.000 4.120 372 G HA2 0.014 3.974 3.960 -0.000 0.000 0.195 372 G HA3 0.014 3.974 3.960 -0.000 0.000 0.195 372 G C 0.416 175.327 174.900 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 0.973 119.672 118.700 -0.003 0.000 2.229 373 N HA 0.233 4.973 4.740 -0.000 0.000 0.242 373 N C -0.046 175.417 175.510 -0.079 0.000 1.327 373 N CA 1.020 54.044 53.050 -0.044 0.000 0.896 373 N CB 0.413 38.859 38.487 -0.069 0.000 1.129 373 N HN 0.402 nan 8.380 nan 0.000 0.490 374 D N -2.131 118.200 120.400 -0.115 0.000 2.738 374 D HA 0.147 4.787 4.640 -0.000 0.000 0.345 374 D C -2.367 173.820 176.300 -0.189 0.000 1.465 374 D CA -0.376 53.541 54.000 -0.138 0.000 0.935 374 D CB -1.179 39.568 40.800 -0.089 0.000 1.543 374 D HN 0.287 nan 8.370 nan 0.000 0.399 375 P HA 0.170 nan 4.420 nan 0.000 0.271 375 P C 0.124 177.099 177.300 -0.541 0.000 1.212 375 P CA 0.324 63.207 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 2.321 124.775 122.820 -0.610 0.000 2.587 376 A HA -0.070 4.250 4.320 -0.000 0.000 0.235 376 A C 0.663 177.813 177.584 -0.723 0.000 1.044 376 A CA 0.020 51.759 52.037 -0.497 0.000 0.754 376 A CB -0.465 18.415 19.000 -0.199 0.000 0.968 376 A HN 0.627 nan 8.150 nan 0.000 0.509 377 R N 1.740 122.040 120.500 -0.334 0.000 4.237 377 R HA -0.168 4.172 4.340 -0.000 0.000 0.171 377 R C -0.302 176.049 176.300 0.084 0.000 0.417 377 R CA 1.032 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 4.067 125.343 121.300 -0.040 0.000 4.409 378 W HA 0.118 4.778 4.660 -0.000 0.000 0.188 378 W C 0.507 177.008 176.519 -0.029 0.000 2.080 378 W CA -0.154 57.162 57.345 -0.049 0.000 2.369 378 W CB -1.219 28.192 29.460 -0.082 0.000 1.412 378 W HN 0.360 nan 8.180 nan 0.000 0.720 379 L N 1.897 123.305 121.223 0.309 0.000 2.516 379 L HA 0.470 4.810 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 55.778 54.840 0.164 0.000 0.844 379 L CB -0.460 41.694 42.059 0.158 0.000 1.106 379 L HN -0.152 nan 8.230 nan 0.000 0.509 380 T N 0.610 115.194 114.554 0.049 0.000 3.012 380 T HA 0.505 4.855 4.350 -0.000 0.000 0.330 380 T C -0.641 174.055 174.700 -0.006 0.000 1.321 380 T CA -0.647 61.464 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 1.088 120.991 119.914 -0.017 0.000 2.547 381 V HA 0.723 4.843 4.120 -0.000 0.000 0.299 381 V C 0.070 176.134 176.094 -0.050 0.000 1.040 381 V CA -0.936 61.342 62.300 -0.036 0.000 0.913 381 V CB 1.751 33.565 31.823 -0.016 0.000 0.992 381 V HN 0.874 nan 8.190 nan 0.000 0.449 382 N N 3.401 122.064 118.700 -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 -0.369 52.649 53.050 -0.053 0.000 0.948 382 N CB 1.614 40.064 38.487 -0.060 0.000 1.102 382 N HN 0.818 nan 8.380 nan 0.000 0.496 383 K N 1.746 122.135 120.400 -0.018 0.000 2.217 383 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 383 K C -0.055 176.703 176.600 0.263 0.000 1.051 383 K CA 0.954 57.274 56.287 0.056 0.000 0.952 383 K CB 0.360 32.748 32.500 -0.187 0.000 0.736 383 K HN 0.588 nan 8.250 nan 0.000 0.453 384 D N -0.140 120.353 120.400 0.154 0.000 2.358 384 D HA 0.008 4.648 4.640 -0.000 0.000 0.224 384 D C 0.230 176.642 176.300 0.187 0.000 1.123 384 D CA 0.327 54.439 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 -0.130 118.630 118.700 0.101 0.000 1.958 385 N HA 0.050 4.790 4.740 -0.000 0.000 0.223 385 N C 0.285 175.546 175.510 -0.416 0.000 1.395 385 N CA 0.001 53.008 53.050 -0.072 0.000 0.737 385 N CB 0.818 39.275 38.487 -0.049 0.000 1.155 385 N HN 0.013 nan 8.380 nan 0.000 0.529 386 G N 2.458 110.741 108.800 -0.861 0.000 2.247 386 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.265 386 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.265 386 G C -0.434 174.187 174.900 -0.465 0.000 0.861 386 G CA 0.617 45.059 45.100 -1.096 0.000 1.289 386 G HN 0.383 nan 8.290 nan 0.000 0.403 387 I N 0.680 121.094 120.570 -0.261 0.000 2.439 387 I HA 0.297 4.467 4.170 -0.000 0.000 0.285 387 I C 0.147 176.199 176.117 -0.107 0.000 1.021 387 I CA -1.157 60.049 61.300 -0.157 0.000 1.091 387 I CB 2.129 40.062 38.000 -0.111 0.000 1.242 387 I HN -0.031 nan 8.210 nan 0.000 0.439 388 V N 5.085 124.945 119.914 -0.090 0.000 2.348 388 V HA 0.336 4.456 4.120 -0.000 0.000 0.270 388 V C 0.665 176.741 176.094 -0.029 0.000 1.037 388 V CA -0.338 61.930 62.300 -0.053 0.000 0.872 388 V CB 0.975 32.768 31.823 -0.051 0.000 1.002 388 V HN 0.889 nan 8.190 nan 0.000 0.464 389 T N 1.649 116.193 114.554 -0.016 0.000 2.937 389 T HA 0.758 5.108 4.350 -0.000 0.000 0.283 389 T C 0.213 174.921 174.700 0.014 0.000 1.012 389 T CA -0.413 61.682 62.100 -0.008 0.000 0.997 389 T CB 2.004 70.865 68.868 -0.013 0.000 1.136 389 T HN 0.811 nan 8.240 nan 0.000 0.551 390 G N 0.869 109.673 108.800 0.008 0.000 2.744 390 G HA2 0.492 4.452 3.960 -0.000 0.000 0.309 390 G HA3 0.492 4.452 3.960 -0.000 0.000 0.309 390 G C -0.744 174.157 174.900 0.001 0.000 1.328 390 G CA -0.824 44.287 45.100 0.018 0.000 1.034 390 G HN 0.808 nan 8.290 nan 0.000 0.518 391 N N 0.765 119.484 118.700 0.032 0.000 2.482 391 N HA 0.717 5.457 4.740 -0.000 0.000 0.279 391 N C 0.575 176.087 175.510 0.003 0.000 1.182 391 N CA 0.210 53.270 53.050 0.017 0.000 0.969 391 N CB 1.750 40.261 38.487 0.040 0.000 1.201 391 N HN 0.861 nan 8.380 nan 0.000 0.523 392 G N 0.539 109.322 108.800 -0.029 0.000 2.757 392 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.638 392 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.638 392 G C -1.025 173.751 174.900 -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 -0.779 117.779 118.700 -0.237 0.000 2.419 393 N HA 0.687 5.427 4.740 -0.000 0.000 0.277 393 N C 0.013 175.223 175.510 -0.500 0.000 1.006 393 N CA -0.728 52.161 53.050 -0.268 0.000 0.923 393 N CB 0.717 39.121 38.487 -0.138 0.000 1.140 393 N HN 0.584 nan 8.380 nan 0.000 0.488 394 L N 1.686 122.579 121.223 -0.550 0.000 2.299 394 L HA 0.644 4.984 4.340 -0.000 0.000 0.268 394 L C -0.679 175.972 176.870 -0.365 0.000 1.012 394 L CA -0.583 53.799 54.840 -0.764 0.000 0.816 394 L CB 1.513 43.054 42.059 -0.864 0.000 1.355 394 L HN 0.550 nan 8.230 nan 0.000 0.457 395 D N -1.542 118.694 120.400 -0.275 0.000 2.266 395 D HA 0.184 4.824 4.640 -0.000 0.000 0.218 395 D C 0.410 176.681 176.300 -0.048 0.000 1.311 395 D CA -0.320 53.611 54.000 -0.115 0.000 0.918 395 D CB 0.832 41.598 40.800 -0.057 0.000 1.530 395 D HN 0.452 nan 8.370 nan 0.000 0.514 396 R N 1.467 121.944 120.500 -0.037 0.000 2.133 396 R HA -0.214 4.126 4.340 -0.000 0.000 0.247 396 R C 0.935 177.263 176.300 0.046 0.000 1.151 396 R CA 1.621 57.733 56.100 0.020 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 -0.678 119.539 120.200 0.029 0.000 2.333 397 E HA -0.133 4.217 4.350 -0.000 0.000 0.200 397 E C 1.268 177.899 176.600 0.051 0.000 1.010 397 E CA 1.356 57.778 56.400 0.037 0.000 0.841 397 E CB 0.093 29.808 29.700 0.024 0.000 0.757 397 E HN 0.231 nan 8.360 nan 0.000 0.508 398 S N -2.500 113.244 115.700 0.073 0.000 2.597 398 S HA 0.087 4.557 4.470 -0.000 0.000 0.275 398 S C 1.279 175.922 174.600 0.073 0.000 1.040 398 S CA 0.258 58.501 58.200 0.071 0.000 1.187 398 S CB 0.113 63.341 63.200 0.047 0.000 0.988 398 S HN 0.216 nan 8.310 nan 0.000 0.490 399 E N -0.827 119.444 120.200 0.118 0.000 2.357 399 E HA 0.212 4.562 4.350 -0.000 0.000 0.202 399 E C 1.078 177.661 176.600 -0.027 0.000 0.855 399 E CA 0.121 56.521 56.400 -0.000 0.000 1.048 399 E CB -0.180 29.448 29.700 -0.121 0.000 1.037 399 E HN 0.489 nan 8.360 nan 0.000 0.499 400 Y N 1.069 121.438 120.300 0.116 0.000 2.231 400 Y HA 0.116 4.666 4.550 -0.000 0.000 0.294 400 Y C 0.800 176.800 175.900 0.165 0.000 1.120 400 Y CA 0.388 58.575 58.100 0.144 0.000 1.141 400 Y CB 0.097 38.684 38.460 0.211 0.000 1.022 400 Y HN -0.163 nan 8.280 nan 0.000 0.523 401 V N 2.938 123.078 119.914 0.377 0.000 2.583 401 V HA -0.191 3.929 4.120 -0.000 0.000 0.302 401 V C 0.565 176.761 176.094 0.169 0.000 1.033 401 V CA 0.548 63.013 62.300 0.275 0.000 1.194 401 V CB 0.078 32.032 31.823 0.219 0.000 0.879 401 V HN 0.370 nan 8.190 nan 0.000 0.482 402 K N 3.436 123.919 120.400 0.138 0.000 2.786 402 K HA 0.178 4.498 4.320 -0.000 0.000 0.224 402 K C 0.881 177.516 176.600 0.059 0.000 1.089 402 K CA -0.385 55.952 56.287 0.082 0.000 1.162 402 K CB -0.032 32.508 32.500 0.067 0.000 1.585 402 K HN 0.597 nan 8.250 nan 0.000 0.466 403 N N 1.309 120.034 118.700 0.041 0.000 2.328 403 N HA -0.065 4.675 4.740 -0.000 0.000 0.277 403 N C 0.321 175.845 175.510 0.023 0.000 1.286 403 N CA 0.280 53.343 53.050 0.021 0.000 0.949 403 N CB 0.138 38.626 38.487 0.001 0.000 1.136 403 N HN 0.130 nan 8.380 nan 0.000 0.550 404 N N -1.277 117.417 118.700 -0.009 0.000 2.760 404 N HA -0.120 4.620 4.740 -0.000 0.000 0.200 404 N C 0.048 175.544 175.510 -0.024 0.000 1.306 404 N CA 0.412 53.449 53.050 -0.022 0.000 0.957 404 N CB -0.063 38.358 38.487 -0.110 0.000 1.041 404 N HN 0.531 nan 8.380 nan 0.000 0.448 405 T N -1.825 112.741 114.554 0.020 0.000 2.810 405 T HA 0.220 4.570 4.350 -0.000 0.000 0.277 405 T C -0.970 173.868 174.700 0.230 0.000 0.973 405 T CA -0.321 61.821 62.100 0.071 0.000 0.949 405 T CB 0.814 69.699 68.868 0.028 0.000 1.075 405 T HN 0.141 nan 8.240 nan 0.000 0.537 406 Y N 0.712 121.046 120.300 0.057 0.000 2.237 406 Y HA 0.322 4.872 4.550 -0.000 0.000 0.316 406 Y C -0.867 175.052 175.900 0.031 0.000 1.236 406 Y CA -0.748 57.394 58.100 0.071 0.000 1.257 406 Y CB 0.655 39.211 38.460 0.161 0.000 1.272 406 Y HN 1.009 nan 8.280 nan 0.000 0.394 407 T N 3.120 117.370 114.554 -0.508 0.000 2.823 407 T HA 0.881 5.231 4.350 -0.000 0.000 0.279 407 T C -0.863 173.531 174.700 -0.510 0.000 0.998 407 T CA -0.847 61.041 62.100 -0.354 0.000 0.994 407 T CB 2.133 70.876 68.868 -0.208 0.000 0.960 407 T HN 0.344 nan 8.240 nan 0.000 0.448 408 V N 2.985 122.716 119.914 -0.305 0.000 2.888 408 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 408 V C -0.635 175.386 176.094 -0.121 0.000 1.114 408 V CA -1.018 61.135 62.300 -0.245 0.000 0.940 408 V CB 2.001 33.711 31.823 -0.189 0.000 1.021 408 V HN 0.908 nan 8.190 nan 0.000 0.426 409 I N 4.040 124.562 120.570 -0.080 0.000 2.693 409 I HA 0.689 4.859 4.170 -0.000 0.000 0.303 409 I C -0.269 175.861 176.117 0.021 0.000 1.025 409 I CA -0.559 60.733 61.300 -0.014 0.000 1.086 409 I CB 1.999 40.008 38.000 0.014 0.000 1.268 409 I HN 0.466 nan 8.210 nan 0.000 0.440 410 M N 4.437 124.086 119.600 0.081 0.000 2.704 410 M HA 0.641 5.121 4.480 -0.000 0.000 0.284 410 M C -1.245 175.324 176.300 0.448 0.000 1.275 410 M CA -0.781 54.612 55.300 0.154 0.000 0.811 410 M CB 2.638 35.239 32.600 0.001 0.000 1.741 410 M HN 0.369 nan 8.290 nan 0.000 0.458 411 L N 0.400 121.918 121.223 0.491 0.000 2.257 411 L HA 0.952 5.292 4.340 -0.000 0.000 0.257 411 L C -1.205 175.957 176.870 0.486 0.000 1.033 411 L CA -1.131 53.985 54.840 0.460 0.000 0.835 411 L CB 2.556 44.717 42.059 0.170 0.000 1.398 411 L HN 0.539 nan 8.230 nan 0.000 0.429 412 V N -0.406 119.564 119.914 0.094 0.000 3.000 412 V HA 0.523 4.643 4.120 -0.000 0.000 0.300 412 V C -1.318 174.676 176.094 -0.167 0.000 1.251 412 V CA -0.080 62.212 62.300 -0.015 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 3.153 117.607 114.554 -0.168 0.000 2.824 413 T HA 0.438 4.788 4.350 -0.000 0.000 0.282 413 T C -1.098 173.509 174.700 -0.155 0.000 0.993 413 T CA -0.314 61.673 62.100 -0.187 0.000 0.967 413 T CB 1.229 69.946 68.868 -0.251 0.000 0.960 413 T HN 0.981 nan 8.240 nan 0.000 0.441 414 D N 4.106 124.424 120.400 -0.137 0.000 2.374 414 D HA 0.249 4.889 4.640 -0.000 0.000 0.240 414 D C 0.025 176.276 176.300 -0.081 0.000 1.229 414 D CA 0.094 54.030 54.000 -0.106 0.000 0.895 414 D CB 0.368 41.114 40.800 -0.090 0.000 1.046 414 D HN 0.528 nan 8.370 nan 0.000 0.498 415 D N 1.808 122.168 120.400 -0.066 0.000 2.723 415 D HA 0.534 5.174 4.640 -0.000 0.000 0.247 415 D C 1.068 177.348 176.300 -0.034 0.000 1.134 415 D CA -0.008 53.965 54.000 -0.043 0.000 1.099 415 D CB 1.489 42.273 40.800 -0.026 0.000 1.287 415 D HN 0.501 nan 8.370 nan 0.000 0.634 416 G N -1.004 107.784 108.800 -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 0.869 175.760 174.900 -0.016 0.000 1.177 416 G CA 1.220 46.310 45.100 -0.016 0.000 0.695 416 G HN 1.183 nan 8.290 nan 0.000 0.517 417 V N -4.477 115.424 119.914 -0.021 0.000 3.309 417 V HA 0.728 4.848 4.120 -0.000 0.000 0.268 417 V C 0.935 177.014 176.094 -0.024 0.000 1.631 417 V CA 1.534 63.822 62.300 -0.020 0.000 1.018 417 V CB 0.419 32.232 31.823 -0.017 0.000 0.841 417 V HN 1.222 nan 8.190 nan 0.000 0.418 418 S N -1.159 114.522 115.700 -0.031 0.000 5.830 418 S HA 0.642 5.112 4.470 -0.000 0.000 0.119 418 S C -0.490 174.084 174.600 -0.044 0.000 1.116 418 S CA 0.898 59.077 58.200 -0.035 0.000 1.371 418 S CB 1.262 64.442 63.200 -0.034 0.000 2.079 418 S HN 0.405 nan 8.310 nan 0.000 0.649 419 V N 0.026 119.910 119.914 -0.051 0.000 3.242 419 V HA 0.765 4.885 4.120 -0.000 0.000 0.298 419 V C -0.669 175.381 176.094 -0.073 0.000 1.352 419 V CA 0.156 62.418 62.300 -0.063 0.000 1.052 419 V CB 1.662 33.449 31.823 -0.060 0.000 1.101 419 V HN 1.008 nan 8.190 nan 0.000 0.446 420 G N 0.627 109.373 108.800 -0.091 0.000 2.404 420 G HA2 0.565 4.525 3.960 -0.000 0.000 0.298 420 G HA3 0.565 4.525 3.960 -0.000 0.000 0.298 420 G C -1.331 173.493 174.900 -0.126 0.000 1.577 420 G CA -0.146 44.895 45.100 -0.099 0.000 0.847 420 G HN 0.695 nan 8.290 nan 0.000 0.598 421 T N -0.441 114.042 114.554 -0.118 0.000 2.916 421 T HA 0.768 5.118 4.350 -0.000 0.000 0.305 421 T C -0.102 174.506 174.700 -0.153 0.000 1.119 421 T CA -0.015 62.005 62.100 -0.134 0.000 1.008 421 T CB 2.155 70.960 68.868 -0.104 0.000 1.129 421 T HN 1.529 nan 8.240 nan 0.000 0.480 422 G N 1.695 110.367 108.800 -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 -0.505 174.218 174.900 -0.294 0.000 1.546 422 G CA -0.626 44.269 45.100 -0.341 0.000 1.089 422 G HN 0.647 nan 8.290 nan 0.000 0.558 423 T N 1.075 115.581 114.554 -0.080 0.000 2.727 423 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 423 T C 0.492 175.327 174.700 0.225 0.000 0.942 423 T CA -0.325 61.831 62.100 0.095 0.000 0.997 423 T CB 1.765 70.671 68.868 0.062 0.000 0.917 423 T HN 0.678 nan 8.240 nan 0.000 0.487 424 G N 2.499 111.632 108.800 0.554 0.000 2.609 424 G HA2 0.559 4.519 3.960 -0.000 0.000 0.308 424 G HA3 0.559 4.519 3.960 -0.000 0.000 0.308 424 G C -0.220 174.812 174.900 0.220 0.000 1.369 424 G CA -0.751 44.675 45.100 0.543 0.000 0.958 424 G HN 0.603 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 -0.500 61.619 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 3.260 124.457 121.223 -0.043 0.000 2.541 426 L HA 0.555 4.895 4.340 -0.000 0.000 0.266 426 L C -1.293 175.552 176.870 -0.042 0.000 0.966 426 L CA -0.709 54.102 54.840 -0.048 0.000 0.871 426 L CB 1.111 43.124 42.059 -0.077 0.000 1.232 426 L HN 0.830 nan 8.230 nan 0.000 0.408 427 I N 6.993 127.554 120.570 -0.015 0.000 2.359 427 I HA 0.455 4.625 4.170 -0.000 0.000 0.294 427 I C -1.133 175.012 176.117 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 -0.847 176.140 176.870 0.194 0.000 0.987 428 L CA -0.760 54.167 54.840 0.145 0.000 0.828 428 L CB 1.450 43.610 42.059 0.169 0.000 1.249 428 L HN 0.609 nan 8.230 nan 0.000 0.409 429 H N 4.149 123.264 119.070 0.075 0.000 3.145 429 H HA 0.275 4.831 4.556 -0.000 0.000 0.263 429 H C -0.555 174.812 175.328 0.065 0.000 1.057 429 H CA 0.216 56.305 56.048 0.068 0.000 1.477 429 H CB 0.840 30.629 29.762 0.044 0.000 1.529 429 H HN 0.581 nan 8.280 nan 0.000 0.508 430 V N 6.608 126.749 119.914 0.378 0.000 3.083 430 V HA 0.207 4.327 4.120 -0.000 0.000 0.306 430 V C 0.848 177.088 176.094 0.244 0.000 1.077 430 V CA -0.556 61.881 62.300 0.228 0.000 1.073 430 V CB 1.497 33.413 31.823 0.156 0.000 1.081 430 V HN 0.597 nan 8.190 nan 0.000 0.474 431 L N 0.855 122.130 121.223 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 2.371 44.405 42.059 -0.040 0.000 1.380 431 L HN 0.622 nan 8.230 nan 0.000 0.425 432 D N 0.130 120.540 120.400 0.017 0.000 2.163 432 D HA 0.579 5.219 4.640 -0.000 0.000 0.248 432 D C -1.218 175.078 176.300 -0.006 0.000 1.035 432 D CA -0.116 53.891 54.000 0.011 0.000 0.872 432 D CB 1.790 42.605 40.800 0.025 0.000 1.183 432 D HN 0.157 nan 8.370 nan 0.000 0.445 433 V N 2.094 122.003 119.914 -0.008 0.000 2.914 433 V HA 0.481 4.601 4.120 -0.000 0.000 0.314 433 V C -0.161 175.929 176.094 -0.007 0.000 1.084 433 V CA -1.246 61.045 62.300 -0.015 0.000 0.963 433 V CB 1.755 33.563 31.823 -0.025 0.000 1.025 433 V HN 0.538 nan 8.190 nan 0.000 0.432 434 N N 1.298 119.993 118.700 -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 1.230 121.629 120.400 -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 54.834 54.000 -0.002 0.000 0.915 435 D CB -0.129 40.669 40.800 -0.003 0.000 1.017 435 D HN 0.538 nan 8.370 nan 0.000 0.437 436 N N -0.205 118.503 118.700 0.013 0.000 2.207 436 N HA 0.373 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 -1.943 106.882 108.800 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 -1.370 43.767 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 -0.597 176.749 177.300 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 3.482 123.411 119.914 0.025 0.000 2.891 439 V HA 0.287 4.407 4.120 -0.000 0.000 0.304 439 V C -2.536 173.537 176.094 -0.035 0.000 1.171 439 V CA -1.920 60.379 62.300 -0.002 0.000 0.943 439 V CB 2.312 34.138 31.823 0.004 0.000 1.037 439 V HN 0.395 nan 8.190 nan 0.000 0.427 440 P HA 0.200 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 0.875 32.564 31.700 -0.020 0.000 0.864 441 S N 4.542 120.226 115.700 -0.026 0.000 2.343 441 S HA 0.024 4.494 4.470 -0.000 0.000 0.212 441 S C -1.290 173.311 174.600 0.001 0.000 1.033 441 S CA 0.661 58.850 58.200 -0.017 0.000 1.004 441 S CB -2.427 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 0.468 nan 4.420 nan 0.000 0.284 442 P C -0.467 176.873 177.300 0.067 0.000 1.253 442 P CA -0.490 62.644 63.100 0.057 0.000 0.800 442 P CB 1.042 32.799 31.700 0.095 0.000 0.961 443 R N 0.563 121.058 120.500 -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 0.106 56.139 56.100 -0.113 0.000 1.059 443 R CB 0.626 30.862 30.300 -0.107 0.000 1.086 443 R HN 0.280 nan 8.270 nan 0.000 0.522 444 V N 1.241 121.054 119.914 -0.168 0.000 2.668 444 V HA 0.367 4.487 4.120 -0.000 0.000 0.304 444 V C -0.542 175.551 176.094 -0.000 0.000 1.071 444 V CA -0.910 61.235 62.300 -0.259 0.000 0.894 444 V CB 1.838 33.566 31.823 -0.157 0.000 1.008 444 V HN 0.012 nan 8.190 nan 0.000 0.425 445 F N 1.254 121.133 119.950 -0.118 0.000 2.452 445 F HA 0.721 5.248 4.527 -0.000 0.000 0.353 445 F C 0.636 176.393 175.800 -0.073 0.000 1.089 445 F CA -0.939 57.004 58.000 -0.094 0.000 1.080 445 F CB 1.677 40.612 39.000 -0.109 0.000 1.399 445 F HN 0.310 nan 8.300 nan 0.000 0.492 446 T N 1.778 116.457 114.554 0.207 0.000 3.233 446 T HA 0.231 4.581 4.350 -0.000 0.000 0.324 446 T C -0.392 174.367 174.700 0.098 0.000 0.992 446 T CA -0.536 61.625 62.100 0.102 0.000 1.414 446 T CB 0.312 69.216 68.868 0.060 0.000 0.935 446 T HN 0.307 nan 8.240 nan 0.000 0.544 447 M N 1.139 120.814 119.600 0.125 0.000 2.197 447 M HA 0.452 4.932 4.480 -0.000 0.000 0.305 447 M C 0.390 176.743 176.300 0.089 0.000 1.162 447 M CA -0.282 55.088 55.300 0.116 0.000 1.099 447 M CB 0.996 33.709 32.600 0.188 0.000 1.430 447 M HN 0.542 nan 8.290 nan 0.000 0.481 448 c N 0.255 118.900 118.600 0.075 0.000 2.451 448 c HA 0.285 4.855 4.570 -0.000 0.000 0.391 448 c C 1.450 175.579 174.090 0.065 0.000 1.286 448 c CA -0.322 56.042 56.329 0.059 0.000 1.935 448 c CB 1.552 44.084 42.510 0.038 0.000 2.188 448 c HN 0.907 nan 8.230 nan 0.000 0.523 449 D N -0.499 119.930 120.400 0.049 0.000 2.306 449 D HA -0.043 4.597 4.640 -0.000 0.000 0.239 449 D C 1.855 178.172 176.300 0.028 0.000 1.105 449 D CA 1.229 55.254 54.000 0.043 0.000 0.950 449 D CB -0.225 40.596 40.800 0.035 0.000 1.036 449 D HN 0.523 nan 8.370 nan 0.000 0.428 450 Q N -0.026 119.786 119.800 0.019 0.000 2.047 450 Q HA -0.164 4.176 4.340 -0.000 0.000 0.211 450 Q C 0.223 176.228 176.000 0.009 0.000 1.005 450 Q CA 1.471 57.281 55.803 0.011 0.000 0.866 450 Q CB -0.478 28.265 28.738 0.009 0.000 0.938 450 Q HN 0.337 nan 8.270 nan 0.000 0.414 451 N N -0.423 118.284 118.700 0.013 0.000 2.751 451 N HA 0.224 4.964 4.740 -0.000 0.000 0.234 451 N C -2.853 172.666 175.510 0.016 0.000 1.403 451 N CA -0.826 52.231 53.050 0.011 0.000 0.747 451 N CB 1.612 40.102 38.487 0.005 0.000 1.326 451 N HN -0.045 nan 8.380 nan 0.000 0.532 452 P HA -0.022 nan 4.420 nan 0.000 0.265 452 P C -0.236 177.076 177.300 0.020 0.000 1.193 452 P CA 0.127 63.246 63.100 0.033 0.000 0.765 452 P CB 0.490 32.229 31.700 0.065 0.000 0.823 453 E N 4.276 124.479 120.200 0.005 0.000 2.318 453 E HA 0.435 4.785 4.350 -0.000 0.000 0.265 453 E C -2.318 174.268 176.600 -0.022 0.000 1.069 453 E CA -2.571 53.824 56.400 -0.007 0.000 0.893 453 E CB -0.477 29.214 29.700 -0.015 0.000 1.076 453 E HN 0.245 nan 8.360 nan 0.000 0.414 454 P HA -0.138 nan 4.420 nan 0.000 0.261 454 P C -1.083 176.149 177.300 -0.114 0.000 1.158 454 P CA 0.457 63.528 63.100 -0.048 0.000 0.758 454 P CB 0.296 31.972 31.700 -0.039 0.000 0.763 455 Q N 3.617 123.300 119.800 -0.195 0.000 2.377 455 Q HA 0.240 4.580 4.340 -0.000 0.000 0.249 455 Q C -0.866 174.928 176.000 -0.342 0.000 1.005 455 Q CA -0.379 55.189 55.803 -0.392 0.000 0.912 455 Q CB 0.057 28.296 28.738 -0.831 0.000 1.223 455 Q HN 0.179 nan 8.270 nan 0.000 0.459 456 V N 5.318 125.090 119.914 -0.236 0.000 2.655 456 V HA 0.215 4.335 4.120 -0.000 0.000 0.300 456 V C 0.073 176.062 176.094 -0.175 0.000 1.044 456 V CA -0.134 62.067 62.300 -0.165 0.000 1.095 456 V CB 0.412 32.169 31.823 -0.110 0.000 0.952 456 V HN 0.750 nan 8.190 nan 0.000 0.485 457 L N 4.434 125.581 121.223 -0.127 0.000 2.465 457 L HA 0.851 5.191 4.340 -0.000 0.000 0.257 457 L C -0.053 176.767 176.870 -0.082 0.000 0.988 457 L CA 0.112 54.901 54.840 -0.084 0.000 0.827 457 L CB 2.720 44.741 42.059 -0.062 0.000 1.397 457 L HN 0.919 nan 8.230 nan 0.000 0.410 458 T N 0.008 114.516 114.554 -0.077 0.000 2.742 458 T HA 0.809 5.159 4.350 -0.000 0.000 0.282 458 T C -0.887 173.731 174.700 -0.136 0.000 1.025 458 T CA -0.675 61.361 62.100 -0.108 0.000 1.020 458 T CB 1.420 70.234 68.868 -0.089 0.000 1.317 458 T HN 0.324 nan 8.240 nan 0.000 0.538 459 I N 1.462 121.916 120.570 -0.194 0.000 2.689 459 I HA 0.670 4.840 4.170 -0.000 0.000 0.299 459 I C -0.408 175.617 176.117 -0.152 0.000 1.059 459 I CA -0.523 60.630 61.300 -0.244 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 2.540 118.199 115.700 -0.069 0.000 2.548 460 S HA 0.665 5.135 4.470 -0.000 0.000 0.276 460 S C -1.552 173.083 174.600 0.058 0.000 1.129 460 S CA -0.873 57.329 58.200 0.003 0.000 0.931 460 S CB 2.118 65.315 63.200 -0.004 0.000 1.068 460 S HN 0.548 nan 8.310 nan 0.000 0.480 461 D N 1.036 121.489 120.400 0.089 0.000 2.481 461 D HA 0.611 5.251 4.640 -0.000 0.000 0.244 461 D C 0.621 176.958 176.300 0.062 0.000 1.057 461 D CA -0.592 53.465 54.000 0.095 0.000 0.848 461 D CB 2.249 43.128 40.800 0.133 0.000 1.388 461 D HN 0.659 nan 8.370 nan 0.000 0.475 462 A N 2.946 125.796 122.820 0.049 0.000 2.208 462 A HA 0.032 4.352 4.320 -0.000 0.000 0.209 462 A C 0.702 178.309 177.584 0.038 0.000 1.161 462 A CA 0.449 52.509 52.037 0.038 0.000 0.782 462 A CB 0.155 19.174 19.000 0.030 0.000 0.816 462 A HN 0.457 nan 8.150 nan 0.000 0.477 463 D N -0.681 119.744 120.400 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 1.003 41.822 40.800 0.031 0.000 1.120 463 D HN 0.169 nan 8.370 nan 0.000 0.481 464 I N 0.440 121.034 120.570 0.039 0.000 2.498 464 I HA 0.319 4.489 4.170 -0.000 0.000 0.301 464 I C -2.569 173.574 176.117 0.042 0.000 0.984 464 I CA -2.702 58.624 61.300 0.043 0.000 1.204 464 I CB 1.330 39.356 38.000 0.044 0.000 1.362 464 I HN 0.013 nan 8.210 nan 0.000 0.471 465 P HA 0.134 nan 4.420 nan 0.000 0.267 465 P C -2.155 175.167 177.300 0.037 0.000 1.200 465 P CA -0.336 62.797 63.100 0.055 0.000 0.772 465 P CB -0.012 31.727 31.700 0.065 0.000 0.855 466 P HA -0.049 nan 4.420 nan 0.000 0.220 466 P C 0.629 177.966 177.300 0.060 0.000 1.152 466 P CA 1.158 64.284 63.100 0.043 0.000 0.812 466 P CB -0.385 31.306 31.700 -0.015 0.000 0.792 467 N N -0.828 117.889 118.700 0.029 0.000 2.653 467 N HA -0.183 4.557 4.740 -0.000 0.000 0.207 467 N C 0.664 176.182 175.510 0.012 0.000 1.074 467 N CA 1.535 54.595 53.050 0.016 0.000 0.951 467 N CB -0.369 38.126 38.487 0.014 0.000 0.956 467 N HN 0.343 nan 8.380 nan 0.000 0.457 468 T N -4.856 109.719 114.554 0.034 0.000 3.209 468 T HA 0.051 4.401 4.350 -0.000 0.000 0.295 468 T C 0.103 174.786 174.700 -0.028 0.000 0.977 468 T CA -0.706 61.401 62.100 0.012 0.000 0.922 468 T CB -0.359 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 3.130 123.362 120.300 -0.113 0.000 2.452 469 Y HA 0.295 4.845 4.550 -0.000 0.000 0.355 469 Y C -2.200 173.549 175.900 -0.252 0.000 1.266 469 Y CA -0.757 57.283 58.100 -0.099 0.000 1.514 469 Y CB -0.118 38.295 38.460 -0.079 0.000 1.363 469 Y HN 0.034 nan 8.280 nan 0.000 0.677 470 P HA -0.173 nan 4.420 nan 0.000 0.270 470 P C -1.358 175.677 177.300 -0.441 0.000 1.181 470 P CA 1.281 64.059 63.100 -0.536 0.000 0.767 470 P CB 0.121 31.423 31.700 -0.664 0.000 0.799 471 Y N 0.759 121.014 120.300 -0.076 0.000 2.518 471 Y HA 0.557 5.107 4.550 -0.000 0.000 0.332 471 Y C 0.933 176.835 175.900 0.004 0.000 1.276 471 Y CA -0.076 58.013 58.100 -0.020 0.000 1.418 471 Y CB 1.115 39.559 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 1.908 34.454 32.500 0.077 0.000 1.268 472 K HN 0.319 nan 8.250 nan 0.000 0.473 473 V N 1.858 121.833 119.914 0.102 0.000 2.649 473 V HA 0.408 4.528 4.120 -0.000 0.000 0.292 473 V C 0.061 176.198 176.094 0.072 0.000 1.055 473 V CA -0.201 62.146 62.300 0.078 0.000 1.023 473 V CB 1.576 33.431 31.823 0.053 0.000 0.992 473 V HN 0.723 nan 8.190 nan 0.000 0.480 474 S N 4.349 120.091 115.700 0.071 0.000 2.546 474 S HA 0.655 5.125 4.470 -0.000 0.000 0.272 474 S C -0.972 173.677 174.600 0.083 0.000 1.140 474 S CA -0.614 57.630 58.200 0.072 0.000 0.920 474 S CB 1.511 64.751 63.200 0.065 0.000 1.083 474 S HN 0.518 nan 8.310 nan 0.000 0.476 475 L N 2.353 123.634 121.223 0.096 0.000 2.318 475 L HA 0.468 4.808 4.340 -0.000 0.000 0.277 475 L C 1.156 178.103 176.870 0.128 0.000 1.008 475 L CA -0.355 54.560 54.840 0.125 0.000 0.846 475 L CB 1.573 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 1.946 117.722 115.700 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 1.218 59.469 58.200 0.084 0.000 1.258 476 S CB -0.044 63.158 63.200 0.004 0.000 1.033 476 S HN 0.762 nan 8.310 nan 0.000 0.398 477 H N -0.632 118.378 119.070 -0.100 0.000 2.276 477 H HA 0.141 4.697 4.556 -0.000 0.000 0.307 477 H C 1.286 176.662 175.328 0.081 0.000 1.061 477 H CA 0.551 56.563 56.048 -0.060 0.000 1.336 477 H CB -0.538 29.128 29.762 -0.160 0.000 1.396 477 H HN 0.510 nan 8.280 nan 0.000 0.503 478 G N 0.647 109.613 108.800 0.277 0.000 3.008 478 G HA2 0.025 3.985 3.960 -0.000 0.000 0.272 478 G HA3 0.025 3.985 3.960 -0.000 0.000 0.272 478 G C 0.739 175.809 174.900 0.283 0.000 0.764 478 G CA 0.264 45.525 45.100 0.268 0.000 2.029 478 G HN 0.424 nan 8.290 nan 0.000 0.587 479 S N -0.303 115.506 115.700 0.181 0.000 2.575 479 S HA 0.156 4.626 4.470 -0.000 0.000 0.215 479 S C 0.230 174.920 174.600 0.151 0.000 0.966 479 S CA -0.236 58.066 58.200 0.171 0.000 0.911 479 S CB 0.566 63.835 63.200 0.115 0.000 0.780 479 S HN 0.233 nan 8.310 nan 0.000 0.514 480 D N 0.005 120.484 120.400 0.132 0.000 2.491 480 D HA 0.342 4.982 4.640 -0.000 0.000 0.232 480 D C -1.020 175.292 176.300 0.022 0.000 1.334 480 D CA -0.112 53.922 54.000 0.057 0.000 0.909 480 D CB 1.042 41.852 40.800 0.018 0.000 1.513 480 D HN 0.192 nan 8.370 nan 0.000 0.514 481 L N 0.979 122.199 121.223 -0.004 0.000 3.635 481 L HA 0.219 4.559 4.340 -0.000 0.000 0.338 481 L C -0.577 176.080 176.870 -0.355 0.000 1.275 481 L CA 0.352 55.151 54.840 -0.069 0.000 1.092 481 L CB 0.413 42.556 42.059 0.140 0.000 1.465 481 L HN 0.349 nan 8.230 nan 0.000 0.625 482 T N -0.349 114.029 114.554 -0.294 0.000 1.377 482 T HA -0.206 4.144 4.350 -0.000 0.000 0.677 482 T C -0.987 173.267 174.700 -0.743 0.000 0.963 482 T CA 1.330 63.187 62.100 -0.406 0.000 3.590 482 T CB -1.174 67.452 68.868 -0.404 0.000 2.055 482 T HN 0.406 nan 8.240 nan 0.000 0.401 483 W N 1.970 123.315 121.300 0.075 0.000 3.624 483 W HA 0.556 5.216 4.660 -0.000 0.000 0.312 483 W C -0.278 176.279 176.519 0.064 0.000 1.203 483 W CA -1.052 56.345 57.345 0.087 0.000 1.225 483 W CB 1.661 31.191 29.460 0.117 0.000 1.321 483 W HN 0.551 nan 8.180 nan 0.000 0.506 484 K N 2.316 122.916 120.400 0.332 0.000 2.541 484 K HA 0.778 5.098 4.320 -0.000 0.000 0.250 484 K C -0.352 176.342 176.600 0.155 0.000 0.950 484 K CA -0.567 55.833 56.287 0.189 0.000 0.805 484 K CB 1.508 34.078 32.500 0.118 0.000 1.166 484 K HN 0.535 nan 8.250 nan 0.000 0.430 485 A N 3.626 126.518 122.820 0.120 0.000 2.407 485 A HA 0.403 4.723 4.320 -0.000 0.000 0.248 485 A C -0.611 177.004 177.584 0.051 0.000 1.082 485 A CA 0.221 52.305 52.037 0.078 0.000 0.785 485 A CB 0.422 19.466 19.000 0.074 0.000 1.020 485 A HN 0.760 nan 8.150 nan 0.000 0.489 486 E N 0.525 120.742 120.200 0.028 0.000 2.388 486 E HA 0.334 4.684 4.350 -0.000 0.000 0.282 486 E C -1.671 174.926 176.600 -0.005 0.000 1.026 486 E CA -0.452 55.957 56.400 0.015 0.000 0.820 486 E CB 1.345 31.053 29.700 0.013 0.000 1.226 486 E HN 0.575 nan 8.360 nan 0.000 0.432 487 L N 1.157 122.377 121.223 -0.004 0.000 2.331 487 L HA 0.416 4.756 4.340 -0.000 0.000 0.275 487 L C 0.598 177.456 176.870 -0.020 0.000 1.022 487 L CA -0.866 53.963 54.840 -0.018 0.000 0.812 487 L CB 1.228 43.284 42.059 -0.004 0.000 1.257 487 L HN 0.440 nan 8.230 nan 0.000 0.435 488 D N 0.525 120.905 120.400 -0.034 0.000 2.362 488 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 488 D C 0.982 177.269 176.300 -0.021 0.000 1.132 488 D CA 0.138 54.120 54.000 -0.030 0.000 0.907 488 D CB 1.669 42.445 40.800 -0.041 0.000 1.195 488 D HN 0.664 nan 8.370 nan 0.000 0.429 489 S N 2.978 118.669 115.700 -0.015 0.000 2.345 489 S HA -0.210 4.260 4.470 -0.000 0.000 0.220 489 S C 1.388 175.980 174.600 -0.012 0.000 1.031 489 S CA 0.840 59.035 58.200 -0.009 0.000 0.996 489 S CB -0.160 63.037 63.200 -0.005 0.000 0.882 489 S HN 0.551 nan 8.310 nan 0.000 0.445 490 K N 1.987 122.378 120.400 -0.015 0.000 3.358 490 K HA 0.266 4.586 4.320 -0.000 0.000 0.297 490 K C 1.303 177.888 176.600 -0.026 0.000 1.064 490 K CA 0.480 56.757 56.287 -0.016 0.000 1.144 490 K CB -1.210 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 0.083 108.864 108.800 -0.031 0.000 5.260 491 G HA2 -0.530 3.430 3.960 -0.000 0.000 0.276 491 G HA3 -0.530 3.430 3.960 -0.000 0.000 0.276 491 G C 1.065 175.927 174.900 -0.063 0.000 1.357 491 G CA 1.001 46.077 45.100 -0.039 0.000 1.008 491 G HN 0.476 nan 8.290 nan 0.000 0.777 492 T N 1.278 115.788 114.554 -0.073 0.000 2.685 492 T HA -0.011 4.339 4.350 -0.000 0.000 0.268 492 T C 1.702 176.308 174.700 -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 68.146 68.868 -0.082 0.000 0.860 492 T HN 1.871 nan 8.240 nan 0.000 0.449 493 S N 0.747 116.381 115.700 -0.110 0.000 2.713 493 S HA 0.670 5.140 4.470 -0.000 0.000 0.283 493 S C -0.211 174.328 174.600 -0.101 0.000 1.161 493 S CA -1.012 57.123 58.200 -0.108 0.000 0.999 493 S CB 1.288 64.441 63.200 -0.080 0.000 1.039 493 S HN 0.665 nan 8.310 nan 0.000 0.548 494 M N 0.583 120.127 119.600 -0.093 0.000 2.457 494 M HA 0.577 5.057 4.480 -0.000 0.000 0.300 494 M C -1.882 174.381 176.300 -0.063 0.000 1.141 494 M CA -0.831 54.427 55.300 -0.070 0.000 0.901 494 M CB 1.468 34.027 32.600 -0.068 0.000 1.687 494 M HN 0.522 nan 8.290 nan 0.000 0.449 495 L N 3.784 124.982 121.223 -0.041 0.000 2.255 495 L HA 0.500 4.840 4.340 -0.000 0.000 0.289 495 L C -1.041 175.820 176.870 -0.015 0.000 1.046 495 L CA -0.717 54.100 54.840 -0.038 0.000 0.816 495 L CB 1.086 43.132 42.059 -0.021 0.000 1.197 495 L HN 0.627 nan 8.230 nan 0.000 0.427 496 L N 3.405 124.603 121.223 -0.043 0.000 2.265 496 L HA 0.507 4.847 4.340 -0.000 0.000 0.289 496 L C -0.344 176.582 176.870 0.093 0.000 1.033 496 L CA 0.512 55.359 54.840 0.012 0.000 0.814 496 L CB 1.315 43.324 42.059 -0.083 0.000 1.203 496 L HN 0.549 nan 8.230 nan 0.000 0.423 497 S N 5.495 121.324 115.700 0.214 0.000 2.548 497 S HA 0.629 5.099 4.470 -0.000 0.000 0.276 497 S C -2.572 172.205 174.600 0.294 0.000 1.129 497 S CA -0.885 57.456 58.200 0.235 0.000 0.931 497 S CB 2.053 65.316 63.200 0.105 0.000 1.068 497 S HN 0.335 nan 8.310 nan 0.000 0.480 498 P HA 0.278 nan 4.420 nan 0.000 0.300 498 P C 0.642 177.875 177.300 -0.112 0.000 1.294 498 P CA 0.163 63.132 63.100 -0.219 0.000 0.757 498 P CB 0.439 31.896 31.700 -0.404 0.000 1.377 499 T N -3.828 110.615 114.554 -0.186 0.000 3.416 499 T HA 0.092 4.442 4.350 -0.000 0.000 0.298 499 T C -0.463 174.161 174.700 -0.126 0.000 0.874 499 T CA -0.038 61.999 62.100 -0.106 0.000 0.901 499 T CB -0.285 68.547 68.868 -0.060 0.000 1.215 499 T HN 0.142 nan 8.240 nan 0.000 0.677 500 Q N 0.909 120.596 119.800 -0.188 0.000 2.399 500 Q HA 0.378 4.718 4.340 -0.000 0.000 0.276 500 Q C -0.242 175.669 176.000 -0.149 0.000 1.098 500 Q CA -0.577 55.127 55.803 -0.164 0.000 0.827 500 Q CB 1.853 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 1.375 121.112 119.800 -0.106 0.000 2.282 501 Q HA 0.164 4.504 4.340 -0.000 0.000 0.205 501 Q C 0.058 176.015 176.000 -0.072 0.000 0.915 501 Q CA -0.128 55.630 55.803 -0.074 0.000 0.949 501 Q CB 0.109 28.817 28.738 -0.050 0.000 1.035 501 Q HN 0.560 nan 8.270 nan 0.000 0.484 502 L N 1.995 123.147 121.223 -0.117 0.000 2.587 502 L HA -0.190 4.150 4.340 -0.000 0.000 0.315 502 L C 0.693 177.536 176.870 -0.044 0.000 1.288 502 L CA 0.931 55.698 54.840 -0.122 0.000 0.849 502 L CB 0.179 42.105 42.059 -0.222 0.000 1.080 502 L HN 0.316 nan 8.230 nan 0.000 0.541 503 K N 1.893 122.252 120.400 -0.069 0.000 2.505 503 K HA -0.087 4.233 4.320 -0.000 0.000 0.272 503 K C 0.036 176.689 176.600 0.089 0.000 0.963 503 K CA 0.039 56.318 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 2.164 122.607 120.400 0.072 0.000 2.021 504 K HA 0.027 4.347 4.320 -0.000 0.000 0.238 504 K C 0.507 177.184 176.600 0.128 0.000 1.149 504 K CA 0.621 56.963 56.287 0.091 0.000 1.105 504 K CB -1.044 31.488 32.500 0.054 0.000 1.246 504 K HN 0.859 nan 8.250 nan 0.000 0.307 505 G N 3.073 111.988 108.800 0.193 0.000 2.888 505 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.441 505 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.441 505 G C -0.735 174.314 174.900 0.247 0.000 1.461 505 G CA -0.355 44.857 45.100 0.187 0.000 0.897 505 G HN 0.887 nan 8.290 nan 0.000 0.547 506 D N -1.522 118.952 120.400 0.123 0.000 3.478 506 D HA 0.011 4.651 4.640 -0.000 0.000 0.219 506 D C -0.277 176.140 176.300 0.196 0.000 1.143 506 D CA 1.952 56.000 54.000 0.080 0.000 1.047 506 D CB -1.775 39.066 40.800 0.068 0.000 0.820 506 D HN 2.238 nan 8.370 nan 0.000 0.393 507 Y N -1.656 118.641 120.300 -0.005 0.000 2.522 507 Y HA 0.490 5.040 4.550 -0.000 0.000 0.326 507 Y C -0.608 175.254 175.900 -0.062 0.000 1.198 507 Y CA -0.628 57.473 58.100 0.002 0.000 1.112 507 Y CB 0.258 38.767 38.460 0.082 0.000 1.342 507 Y HN 0.269 nan 8.280 nan 0.000 0.460 508 S N 4.091 119.770 115.700 -0.034 0.000 2.686 508 S HA 0.771 5.241 4.470 -0.000 0.000 0.270 508 S C -0.553 173.930 174.600 -0.194 0.000 1.194 508 S CA -0.514 57.537 58.200 -0.249 0.000 0.990 508 S CB 1.935 64.929 63.200 -0.344 0.000 1.029 508 S HN 1.275 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 -1.970 173.988 176.117 -0.265 0.000 1.094 509 I CA -0.994 60.079 61.300 -0.378 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 6.380 126.650 120.300 -0.050 0.000 2.436 510 Y HA 0.349 4.899 4.550 -0.000 0.000 0.336 510 Y C 0.356 176.245 175.900 -0.019 0.000 1.049 510 Y CA 0.024 58.113 58.100 -0.017 0.000 1.294 510 Y CB 1.004 39.487 38.460 0.039 0.000 1.179 510 Y HN 0.273 nan 8.280 nan 0.000 0.520 511 V N 5.017 124.993 119.914 0.103 0.000 2.850 511 V HA 0.579 4.699 4.120 -0.000 0.000 0.315 511 V C -0.720 175.422 176.094 0.081 0.000 1.064 511 V CA -1.013 61.325 62.300 0.063 0.000 0.979 511 V CB 1.870 33.698 31.823 0.009 0.000 1.039 511 V HN 0.493 nan 8.190 nan 0.000 0.452 512 L N 3.895 125.160 121.223 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 -0.134 176.811 176.870 0.124 0.000 1.029 513 L CA -0.879 54.039 54.840 0.130 0.000 0.897 513 L CB 2.074 44.239 42.059 0.178 0.000 1.497 513 L HN 0.744 nan 8.230 nan 0.000 0.495 514 S N -1.348 114.448 115.700 0.161 0.000 2.565 514 S HA 0.266 4.736 4.470 -0.000 0.000 0.274 514 S C -0.977 173.575 174.600 -0.079 0.000 1.144 514 S CA -0.660 57.574 58.200 0.056 0.000 0.849 514 S CB 2.028 65.248 63.200 0.034 0.000 1.103 514 S HN 0.829 nan 8.310 nan 0.000 0.455 515 D N -0.597 119.712 120.400 -0.151 0.000 2.449 515 D HA 0.408 5.048 4.640 -0.000 0.000 0.255 515 D C 0.827 177.033 176.300 -0.157 0.000 1.121 515 D CA 0.414 54.215 54.000 -0.333 0.000 0.830 515 D CB 0.059 40.660 40.800 -0.332 0.000 1.280 515 D HN 0.508 nan 8.370 nan 0.000 0.522 516 A N -1.102 121.673 122.820 -0.076 0.000 2.295 516 A HA 0.513 4.833 4.320 -0.000 0.000 0.193 516 A C 1.304 178.870 177.584 -0.029 0.000 1.512 516 A CA 1.029 53.043 52.037 -0.039 0.000 1.103 516 A CB 0.723 19.704 19.000 -0.031 0.000 1.331 516 A HN 0.055 nan 8.150 nan 0.000 0.501 517 Q N -2.935 116.846 119.800 -0.033 0.000 7.952 517 Q HA -0.107 4.233 4.340 -0.000 0.000 0.369 517 Q C 0.539 176.535 176.000 -0.007 0.000 0.943 517 Q CA 0.932 56.727 55.803 -0.014 0.000 0.540 517 Q CB -0.754 27.980 28.738 -0.006 0.000 0.157 517 Q HN 0.238 nan 8.270 nan 0.000 0.899 518 N N 0.941 119.638 118.700 -0.005 0.000 2.677 518 N HA -0.355 4.385 4.740 -0.000 0.000 0.230 518 N C 0.016 175.535 175.510 0.014 0.000 1.021 518 N CA 2.077 55.129 53.050 0.003 0.000 1.156 518 N CB -0.699 37.790 38.487 0.003 0.000 1.117 518 N HN 0.628 nan 8.380 nan 0.000 0.614 519 N N -3.087 115.626 118.700 0.021 0.000 2.936 519 N HA -0.167 4.573 4.740 -0.000 0.000 0.236 519 N C -2.320 173.215 175.510 0.042 0.000 0.930 519 N CA 0.515 53.583 53.050 0.031 0.000 0.966 519 N CB -0.934 37.565 38.487 0.021 0.000 1.090 519 N HN 0.299 nan 8.380 nan 0.000 0.592 520 P HA -0.082 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 0.943 64.073 63.100 0.050 0.000 0.761 520 P CB 0.350 32.079 31.700 0.049 0.000 0.794 521 Q N 2.624 122.451 119.800 0.044 0.000 2.286 521 Q HA 0.150 4.490 4.340 -0.000 0.000 0.265 521 Q C 0.218 176.247 176.000 0.048 0.000 1.080 521 Q CA 0.293 56.123 55.803 0.045 0.000 0.906 521 Q CB 0.484 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 1.119 122.377 121.223 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 1.851 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 -1.539 113.035 114.554 0.033 0.000 2.640 523 T HA 0.244 4.594 4.350 -0.000 0.000 0.268 523 T C -1.629 173.023 174.700 -0.081 0.000 1.406 523 T CA 0.063 62.183 62.100 0.032 0.000 1.078 523 T CB 0.489 69.359 68.868 0.003 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 0.791 4.911 4.120 -0.000 0.000 0.282 524 V C -0.484 175.445 176.094 -0.275 0.000 1.048 524 V CA -0.419 61.683 62.300 -0.330 0.000 0.997 524 V CB 0.875 32.484 31.823 -0.357 0.000 0.987 524 V HN 0.491 nan 8.190 nan 0.000 0.477 525 V N 4.874 124.572 119.914 -0.360 0.000 2.454 525 V HA 0.342 4.462 4.120 -0.000 0.000 0.267 525 V C 0.020 175.706 176.094 -0.680 0.000 0.993 525 V CA -0.652 61.388 62.300 -0.434 0.000 0.836 525 V CB 0.708 32.345 31.823 -0.311 0.000 1.055 525 V HN 0.964 nan 8.190 nan 0.000 0.452 526 N N 2.501 120.860 118.700 -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 0.521 53.230 53.050 -0.567 0.000 0.880 526 N CB 0.636 38.898 38.487 -0.375 0.000 1.106 526 N HN 0.815 nan 8.380 nan 0.000 0.435 527 A N 0.222 122.637 122.820 -0.675 0.000 2.499 527 A HA 0.401 4.721 4.320 -0.000 0.000 0.280 527 A C -0.628 176.721 177.584 -0.391 0.000 1.135 527 A CA -0.703 50.962 52.037 -0.620 0.000 0.744 527 A CB 0.455 19.063 19.000 -0.654 0.000 1.213 527 A HN 0.424 nan 8.150 nan 0.000 0.434 528 T N 2.709 117.153 114.554 -0.183 0.000 2.727 528 T HA 0.459 4.809 4.350 -0.000 0.000 0.298 528 T C 0.137 174.847 174.700 0.017 0.000 0.942 528 T CA 0.010 62.070 62.100 -0.066 0.000 0.997 528 T CB 0.339 69.182 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 0.344 176.490 176.094 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 0.812 119.456 118.600 0.072 0.000 2.985 530 c HA 0.674 5.244 4.570 -0.000 0.000 0.332 530 c C 0.142 174.260 174.090 0.047 0.000 1.164 530 c CA -0.908 55.453 56.329 0.053 0.000 1.347 530 c CB 0.657 43.191 42.510 0.040 0.000 1.764 530 c HN 0.767 nan 8.230 nan 0.000 0.489 531 S N 1.071 116.794 115.700 0.038 0.000 2.817 531 S HA 0.299 4.769 4.470 -0.000 0.000 0.333 531 S C 0.207 174.823 174.600 0.027 0.000 1.227 531 S CA 0.810 59.028 58.200 0.031 0.000 1.027 531 S CB -0.450 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 0.443 5.013 4.570 -0.000 0.000 0.353 532 c C 0.661 174.762 174.090 0.017 0.000 1.510 532 c CA -0.478 55.864 56.329 0.021 0.000 1.149 532 c CB 0.829 43.355 42.510 0.027 0.000 1.713 532 c HN 0.998 nan 8.230 nan 0.000 0.421 533 E N -0.225 119.984 120.200 0.015 0.000 2.694 533 E HA 0.453 4.803 4.350 -0.000 0.000 0.224 533 E C 1.008 177.615 176.600 0.012 0.000 1.068 533 E CA 1.418 57.824 56.400 0.011 0.000 1.043 533 E CB 0.148 29.853 29.700 0.008 0.000 2.367 533 E HN 0.935 nan 8.360 nan 0.000 0.565 534 G N -0.320 108.485 108.800 0.010 0.000 3.531 534 G HA2 0.195 4.155 3.960 -0.000 0.000 0.212 534 G HA3 0.195 4.155 3.960 -0.000 0.000 0.212 534 G C -0.259 174.645 174.900 0.006 0.000 1.146 534 G CA -0.291 44.814 45.100 0.009 0.000 0.916 534 G HN -0.031 nan 8.290 nan 0.000 0.637 535 K N 1.381 121.784 120.400 0.005 0.000 2.185 535 K HA 0.623 4.943 4.320 -0.000 0.000 0.269 535 K C 0.112 176.714 176.600 0.003 0.000 0.987 535 K CA -0.613 55.674 56.287 0.000 0.000 0.865 535 K CB 2.137 34.636 32.500 -0.002 0.000 1.090 535 K HN 0.116 nan 8.250 nan 0.000 0.450 536 A N 4.716 127.534 122.820 -0.004 0.000 2.532 536 A HA -0.048 4.272 4.320 -0.000 0.000 0.269 536 A C 0.030 177.617 177.584 0.004 0.000 1.079 536 A CA 0.460 52.496 52.037 -0.002 0.000 0.800 536 A CB -0.710 18.276 19.000 -0.023 0.000 1.000 536 A HN 0.789 nan 8.150 nan 0.000 0.522 537 I N 1.650 122.228 120.570 0.014 0.000 2.822 537 I HA 0.413 4.583 4.170 -0.000 0.000 0.312 537 I C 0.533 176.660 176.117 0.016 0.000 1.011 537 I CA -1.122 60.186 61.300 0.013 0.000 1.105 537 I CB 1.315 39.324 38.000 0.015 0.000 1.291 537 I HN 0.683 nan 8.210 nan 0.000 0.474 538 K N 3.500 123.907 120.400 0.012 0.000 2.401 538 K HA 0.135 4.455 4.320 -0.000 0.000 0.278 538 K C -0.297 176.312 176.600 0.015 0.000 1.018 538 K CA -0.347 55.947 56.287 0.012 0.000 0.981 538 K CB 0.782 33.287 32.500 0.008 0.000 0.933 538 K HN 0.706 nan 8.250 nan 0.000 0.477 539 c N 1.910 120.519 118.600 0.015 0.000 2.369 539 c HA 0.314 4.884 4.570 -0.000 0.000 0.089 539 c C 0.111 174.210 174.090 0.014 0.000 2.614 539 c CA -0.297 56.042 56.329 0.017 0.000 1.724 539 c CB 0.705 43.227 42.510 0.020 0.000 2.453 539 c HN 0.959 nan 8.230 nan 0.000 0.263 540 Q N 0.000 119.808 119.800 0.013 0.000 2.315 540 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 540 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 540 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 540 Q HN 0.000 nan 8.270 nan 0.000 0.481