REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1q55_1_D DATA FIRST_RESID 1 DATA SEQUENCE DWVIPPIKVS ENERGPFPKR LVQIKSNKDR FNKVYYSITG QGADNPPQGV DATA SEQUENCE FRIEWETGWM LVTRPLDREE YDKYVLSSHA VSENGSPVEE PMEITINVID DATA SEQUENCE QNDNRPKFTQ DVFRGSVREG VQPGTQVMAV SATDEDDNID SLNGVLSYSI DATA SEQUENCE LKQDPEEPIP NLFTINRETG VISLIGTGLD REKFPEYTLT VQATDLEGAG DATA SEQUENCE LSVEGKAIIQ ITDANDNAPI FDPKTYTALV PENEIGFEVQ RLSVTDLDMP DATA SEQUENCE GTPAWQAVYK IRVNEGGFFN ITTDPESNQG ILTTAKGLDF ELRKQYVLQI DATA SEQUENCE TVENAEPFSV PLPTSTATVT VTVEDVNEAP FFVPAVSRVD VSEDLSRGEK DATA SEQUENCE IISLVAQDPD KQQIQKLSYF IGNDPARWLT VNKDNGIVTG NGNLDRESEY DATA SEQUENCE VKNNTYTVIM LVTDDGVSVG TGTGTLILHV LDVNDNGPVP SPRVFTMcDQ DATA SEQUENCE NPEPQVLTIS DADIPPNTYP YKVSLSHGSD LTWKAELDSK GTSMLLSPTQ DATA SEQUENCE QLKKGDYSIY VLLSDAQNNP QLTVVNATVc ScEGKAIKcQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.262 176.300 -0.063 0.000 2.045 1 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 1 D CB 0.000 40.839 40.800 0.066 0.000 0.688 2 W N 2.190 123.484 121.300 -0.010 0.000 2.289 2 W HA 0.432 5.092 4.660 -0.000 0.000 0.342 2 W C 0.757 177.266 176.519 -0.017 0.000 0.958 2 W CA -0.631 56.706 57.345 -0.013 0.000 1.492 2 W CB 0.599 30.050 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 0.396 4.516 4.120 -0.000 0.000 0.267 3 V C -0.003 176.158 176.094 0.111 0.000 1.088 3 V CA -0.392 61.984 62.300 0.127 0.000 0.686 3 V CB 0.312 32.175 31.823 0.066 0.000 1.152 3 V HN 0.315 nan 8.190 nan 0.000 0.353 4 I N 0.881 121.488 120.570 0.061 0.000 2.563 4 I HA 0.547 4.717 4.170 -0.000 0.000 0.285 4 I C -2.734 173.398 176.117 0.025 0.000 1.123 4 I CA -2.016 59.305 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 0.232 nan 4.420 nan 0.000 0.266 5 P C -2.547 174.761 177.300 0.013 0.000 1.193 5 P CA -0.478 62.638 63.100 0.026 0.000 0.770 5 P CB -0.394 31.324 31.700 0.030 0.000 0.836 6 P HA 0.176 nan 4.420 nan 0.000 0.269 6 P C -0.535 176.772 177.300 0.011 0.000 1.215 6 P CA 0.231 63.336 63.100 0.009 0.000 0.780 6 P CB 0.372 32.082 31.700 0.016 0.000 0.898 7 I N 1.903 122.477 120.570 0.006 0.000 2.354 7 I HA 0.219 4.389 4.170 -0.000 0.000 0.286 7 I C 0.044 176.178 176.117 0.028 0.000 1.007 7 I CA -1.208 60.101 61.300 0.014 0.000 1.167 7 I CB 1.081 39.085 38.000 0.007 0.000 1.320 7 I HN 0.151 nan 8.210 nan 0.000 0.458 8 K N 5.799 126.220 120.400 0.034 0.000 2.350 8 K HA 0.552 4.872 4.320 -0.000 0.000 0.279 8 K C -0.613 176.017 176.600 0.051 0.000 1.027 8 K CA -0.453 55.860 56.287 0.043 0.000 0.969 8 K CB 0.767 33.289 32.500 0.037 0.000 0.954 8 K HN 0.310 nan 8.250 nan 0.000 0.474 9 V N 0.995 120.947 119.914 0.063 0.000 2.808 9 V HA 0.336 4.456 4.120 -0.000 0.000 0.308 9 V C -0.214 175.922 176.094 0.071 0.000 1.099 9 V CA -1.025 61.319 62.300 0.072 0.000 0.920 9 V CB 2.118 33.998 31.823 0.095 0.000 1.014 9 V HN 0.877 nan 8.190 nan 0.000 0.425 10 S N 2.168 117.906 115.700 0.063 0.000 2.614 10 S HA 0.362 4.832 4.470 -0.000 0.000 0.265 10 S C -0.186 174.456 174.600 0.070 0.000 1.303 10 S CA -0.314 57.921 58.200 0.059 0.000 1.000 10 S CB 0.967 64.195 63.200 0.046 0.000 0.935 10 S HN 0.898 nan 8.310 nan 0.000 0.551 11 E N 1.203 121.442 120.200 0.065 0.000 2.248 11 E HA 0.255 4.605 4.350 -0.000 0.000 0.272 11 E C -0.633 176.004 176.600 0.061 0.000 1.008 11 E CA -0.394 56.047 56.400 0.068 0.000 0.856 11 E CB 0.236 29.976 29.700 0.066 0.000 1.120 11 E HN 0.833 nan 8.360 nan 0.000 0.397 12 N N 1.772 120.509 118.700 0.061 0.000 2.725 12 N HA -0.229 4.511 4.740 -0.000 0.000 0.251 12 N C -0.750 174.804 175.510 0.074 0.000 1.031 12 N CA 0.577 53.662 53.050 0.058 0.000 0.720 12 N CB -0.727 37.787 38.487 0.045 0.000 0.930 12 N HN 0.624 nan 8.380 nan 0.000 0.543 13 E N 0.949 121.212 120.200 0.105 0.000 2.374 13 E HA 0.415 4.765 4.350 -0.000 0.000 0.260 13 E C 0.070 176.778 176.600 0.180 0.000 1.101 13 E CA -0.326 56.151 56.400 0.128 0.000 0.907 13 E CB 0.669 30.471 29.700 0.170 0.000 1.014 13 E HN 0.247 nan 8.360 nan 0.000 0.427 14 R N 1.195 121.756 120.500 0.102 0.000 2.725 14 R HA 0.445 4.785 4.340 -0.000 0.000 0.276 14 R C -1.126 175.135 176.300 -0.064 0.000 1.189 14 R CA 0.317 56.471 56.100 0.090 0.000 1.083 14 R CB 1.074 31.425 30.300 0.085 0.000 1.262 14 R HN 0.630 nan 8.270 nan 0.000 0.415 15 G N 2.884 111.556 108.800 -0.214 0.000 2.529 15 G HA2 0.443 4.403 3.960 -0.000 0.000 0.238 15 G HA3 0.443 4.403 3.960 -0.000 0.000 0.238 15 G C -2.809 171.870 174.900 -0.368 0.000 1.207 15 G CA -0.570 44.371 45.100 -0.265 0.000 0.928 15 G HN 0.450 nan 8.290 nan 0.000 0.495 16 P HA 0.527 nan 4.420 nan 0.000 0.293 16 P C -1.352 175.675 177.300 -0.454 0.000 1.313 16 P CA -0.140 62.789 63.100 -0.284 0.000 0.787 16 P CB 1.034 32.627 31.700 -0.179 0.000 0.910 17 F N 3.765 123.686 119.950 -0.048 0.000 2.377 17 F HA 0.401 4.928 4.527 -0.000 0.000 0.328 17 F C -1.009 174.756 175.800 -0.058 0.000 1.094 17 F CA -1.411 56.555 58.000 -0.057 0.000 1.093 17 F CB 0.019 38.984 39.000 -0.058 0.000 1.214 17 F HN 0.270 nan 8.300 nan 0.000 0.518 18 P HA 0.268 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 -0.361 62.793 63.100 0.090 0.000 0.770 18 P CB 0.543 32.268 31.700 0.041 0.000 1.206 19 K N 0.209 120.613 120.400 0.007 0.000 2.615 19 K HA 0.313 4.633 4.320 -0.000 0.000 0.249 19 K C -0.844 175.743 176.600 -0.021 0.000 0.977 19 K CA -0.290 55.964 56.287 -0.055 0.000 0.833 19 K CB 1.172 33.654 32.500 -0.031 0.000 1.208 19 K HN 0.183 nan 8.250 nan 0.000 0.443 20 R N 3.480 123.916 120.500 -0.106 0.000 2.442 20 R HA 0.195 4.535 4.340 -0.000 0.000 0.291 20 R C 0.371 176.687 176.300 0.027 0.000 1.069 20 R CA -0.095 55.946 56.100 -0.098 0.000 1.022 20 R CB 0.547 30.592 30.300 -0.426 0.000 0.976 20 R HN 0.462 nan 8.270 nan 0.000 0.443 21 L N 2.949 124.256 121.223 0.141 0.000 2.379 21 L HA 0.265 4.605 4.340 -0.000 0.000 0.190 21 L C 0.318 177.307 176.870 0.199 0.000 1.111 21 L CA 0.848 55.773 54.840 0.142 0.000 0.820 21 L CB 0.134 42.275 42.059 0.137 0.000 1.046 21 L HN 0.357 nan 8.230 nan 0.000 0.485 22 V N -1.549 118.524 119.914 0.264 0.000 3.258 22 V HA 0.430 4.550 4.120 -0.000 0.000 0.299 22 V C -1.885 174.252 176.094 0.071 0.000 1.376 22 V CA -0.623 61.801 62.300 0.207 0.000 1.063 22 V CB 2.254 34.102 31.823 0.041 0.000 1.103 22 V HN 0.330 nan 8.190 nan 0.000 0.451 23 Q N 3.256 122.823 119.800 -0.388 0.000 2.340 23 Q HA 0.720 5.060 4.340 -0.000 0.000 0.268 23 Q C -1.250 174.410 176.000 -0.567 0.000 1.031 23 Q CA -0.711 54.579 55.803 -0.854 0.000 0.804 23 Q CB 1.921 29.500 28.738 -1.931 0.000 1.286 23 Q HN 0.840 nan 8.270 nan 0.000 0.448 24 I N 0.036 120.280 120.570 -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 -0.917 60.112 61.300 -0.453 0.000 1.098 24 I CB 2.029 39.817 38.000 -0.354 0.000 1.279 24 I HN 0.530 nan 8.210 nan 0.000 0.437 25 K N 3.582 123.773 120.400 -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 2.252 34.652 32.500 -0.166 0.000 1.213 25 K HN 0.812 nan 8.250 nan 0.000 0.428 26 S N 1.590 117.410 115.700 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 0.471 63.812 63.200 0.236 0.000 1.004 26 S HN 0.827 nan 8.310 nan 0.000 0.493 27 N N 2.904 121.643 118.700 0.066 0.000 2.299 27 N HA 0.096 4.836 4.740 -0.000 0.000 0.187 27 N C 0.893 176.438 175.510 0.058 0.000 1.099 27 N CA -0.217 52.861 53.050 0.047 0.000 0.867 27 N CB 0.012 38.513 38.487 0.024 0.000 0.974 27 N HN 0.413 nan 8.380 nan 0.000 0.477 28 K N 1.144 121.585 120.400 0.069 0.000 2.630 28 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 28 K C -0.003 176.656 176.600 0.098 0.000 1.024 28 K CA 0.384 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 -1.530 118.926 120.400 0.092 0.000 2.339 29 D HA -0.092 4.548 4.640 -0.000 0.000 0.217 29 D C 1.551 177.905 176.300 0.090 0.000 1.050 29 D CA -0.073 53.983 54.000 0.094 0.000 0.856 29 D CB 0.184 41.032 40.800 0.081 0.000 0.922 29 D HN 0.034 nan 8.370 nan 0.000 0.518 30 R N -0.582 119.976 120.500 0.097 0.000 2.127 30 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 30 R C 1.354 177.717 176.300 0.106 0.000 1.134 30 R CA 1.107 57.258 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 0.069 120.028 119.950 0.013 0.000 2.147 31 F HA 0.142 4.669 4.527 -0.000 0.000 0.291 31 F C 0.867 176.675 175.800 0.014 0.000 1.093 31 F CA 0.915 58.922 58.000 0.012 0.000 1.263 31 F CB 0.070 39.076 39.000 0.011 0.000 1.036 31 F HN 0.025 nan 8.300 nan 0.000 0.481 32 N N -0.552 118.205 118.700 0.095 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 0.032 0.000 1.560 32 N CA -0.794 52.223 53.050 -0.055 0.000 0.752 32 N CB 1.185 39.775 38.487 0.171 0.000 1.863 32 N HN -0.040 nan 8.380 nan 0.000 0.636 33 K N 0.480 120.903 120.400 0.039 0.000 2.205 33 K HA 0.459 4.779 4.320 -0.000 0.000 0.279 33 K C -1.119 175.525 176.600 0.074 0.000 1.027 33 K CA -0.506 55.820 56.287 0.065 0.000 0.932 33 K CB 0.651 33.211 32.500 0.100 0.000 1.032 33 K HN 0.294 nan 8.250 nan 0.000 0.466 34 V N 4.679 124.602 119.914 0.015 0.000 2.483 34 V HA 0.191 4.311 4.120 -0.000 0.000 0.295 34 V C -0.963 175.029 176.094 -0.170 0.000 1.035 34 V CA -0.765 61.468 62.300 -0.111 0.000 0.896 34 V CB 1.089 32.752 31.823 -0.268 0.000 0.986 34 V HN 0.676 nan 8.190 nan 0.000 0.447 35 Y N 4.803 124.966 120.300 -0.229 0.000 2.369 35 Y HA 0.511 5.061 4.550 -0.000 0.000 0.337 35 Y C -0.573 175.238 175.900 -0.150 0.000 0.961 35 Y CA -0.701 57.356 58.100 -0.071 0.000 1.186 35 Y CB 0.708 39.189 38.460 0.035 0.000 1.139 35 Y HN 0.595 nan 8.280 nan 0.000 0.494 36 Y N 4.532 124.799 120.300 -0.055 0.000 2.336 36 Y HA 0.377 4.927 4.550 -0.000 0.000 0.335 36 Y C 0.711 176.594 175.900 -0.027 0.000 1.046 36 Y CA -0.049 58.044 58.100 -0.011 0.000 1.198 36 Y CB 0.944 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 4.059 119.929 115.700 0.283 0.000 2.811 37 S HA 0.848 5.318 4.470 -0.000 0.000 0.311 37 S C -1.121 173.636 174.600 0.262 0.000 1.152 37 S CA -0.886 57.481 58.200 0.279 0.000 0.864 37 S CB 2.435 65.848 63.200 0.354 0.000 1.226 37 S HN 0.694 nan 8.310 nan 0.000 0.541 38 I N 0.663 121.386 120.570 0.254 0.000 2.800 38 I HA 0.547 4.717 4.170 -0.000 0.000 0.294 38 I C -1.728 174.508 176.117 0.198 0.000 1.538 38 I CA -0.224 61.183 61.300 0.179 0.000 1.010 38 I CB 1.999 40.056 38.000 0.094 0.000 1.381 38 I HN 1.161 nan 8.210 nan 0.000 0.462 39 T N 2.428 117.087 114.554 0.175 0.000 2.906 39 T HA 1.002 5.352 4.350 -0.000 0.000 0.295 39 T C -0.264 174.499 174.700 0.104 0.000 1.075 39 T CA -0.129 62.072 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 1.647 nan 8.240 nan 0.000 0.498 40 G N 0.544 109.399 108.800 0.093 0.000 2.346 40 G HA2 0.215 4.175 3.960 -0.000 0.000 0.294 40 G HA3 0.215 4.175 3.960 -0.000 0.000 0.294 40 G C -1.610 173.331 174.900 0.068 0.000 1.294 40 G CA -1.096 44.044 45.100 0.067 0.000 0.962 40 G HN 0.902 nan 8.290 nan 0.000 0.508 41 Q N -0.062 119.765 119.800 0.044 0.000 2.313 41 Q HA 0.423 4.763 4.340 -0.000 0.000 0.266 41 Q C 1.305 177.378 176.000 0.122 0.000 0.989 41 Q CA 1.248 57.063 55.803 0.020 0.000 0.890 41 Q CB 1.086 29.781 28.738 -0.071 0.000 1.200 41 Q HN 2.251 nan 8.270 nan 0.000 0.396 42 G N 1.365 110.256 108.800 0.152 0.000 2.241 42 G HA2 -0.334 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 1.775 179.433 177.584 0.124 0.000 2.224 43 A CA 1.499 53.644 52.037 0.181 0.000 1.378 43 A CB -0.301 18.784 19.000 0.141 0.000 1.222 43 A HN 0.609 nan 8.150 nan 0.000 0.419 44 D N -0.322 120.140 120.400 0.104 0.000 2.346 44 D HA 0.039 4.679 4.640 -0.000 0.000 0.206 44 D C -0.247 176.090 176.300 0.061 0.000 1.001 44 D CA 0.023 54.071 54.000 0.080 0.000 0.871 44 D CB -0.416 40.432 40.800 0.080 0.000 0.943 44 D HN 0.193 nan 8.370 nan 0.000 0.518 45 N N 1.442 120.179 118.700 0.062 0.000 2.492 45 N HA 0.289 5.029 4.740 -0.000 0.000 0.289 45 N C -2.642 172.886 175.510 0.031 0.000 1.133 45 N CA -1.648 51.427 53.050 0.042 0.000 0.961 45 N CB 1.038 39.547 38.487 0.036 0.000 1.186 45 N HN -0.096 nan 8.380 nan 0.000 0.493 46 P HA 0.049 nan 4.420 nan 0.000 0.260 46 P C -2.349 174.920 177.300 -0.051 0.000 1.172 46 P CA -0.322 62.782 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 0.009 nan 4.420 nan 0.000 0.264 47 P C -0.428 176.886 177.300 0.024 0.000 1.236 47 P CA 0.450 63.536 63.100 -0.023 0.000 0.811 47 P CB 0.068 31.736 31.700 -0.053 0.000 0.840 48 Q N 2.068 121.883 119.800 0.024 0.000 2.332 48 Q HA 0.415 4.755 4.340 -0.000 0.000 0.263 48 Q C 1.250 177.263 176.000 0.021 0.000 0.979 48 Q CA 0.144 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 1.160 109.982 108.800 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 0.423 175.270 174.900 -0.089 0.000 1.018 49 G CA 0.163 45.263 45.100 0.000 0.000 0.728 49 G HN 0.481 nan 8.290 nan 0.000 0.508 50 V N -1.357 118.476 119.914 -0.134 0.000 2.649 50 V HA 0.344 4.463 4.120 -0.000 0.000 0.248 50 V C 0.976 176.583 176.094 -0.811 0.000 1.054 50 V CA 1.501 63.496 62.300 -0.508 0.000 1.073 50 V CB -0.380 31.039 31.823 -0.674 0.000 0.699 50 V HN 0.345 nan 8.190 nan 0.000 0.463 51 F N 0.409 120.328 119.950 -0.051 0.000 2.563 51 F HA 0.787 5.314 4.527 -0.000 0.000 0.316 51 F C 0.129 175.938 175.800 0.014 0.000 1.076 51 F CA -1.220 56.763 58.000 -0.028 0.000 0.921 51 F CB 1.649 40.621 39.000 -0.046 0.000 1.209 51 F HN -0.006 nan 8.300 nan 0.000 0.462 52 R N 1.793 122.411 120.500 0.198 0.000 2.680 52 R HA 0.830 5.170 4.340 -0.000 0.000 0.269 52 R C -2.179 174.215 176.300 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 0.687 121.348 120.570 0.151 0.000 2.646 53 I HA 0.292 4.462 4.170 -0.000 0.000 0.299 53 I C -0.563 175.643 176.117 0.148 0.000 1.036 53 I CA -1.065 60.319 61.300 0.141 0.000 1.074 53 I CB 2.393 40.464 38.000 0.117 0.000 1.258 53 I HN 0.724 nan 8.210 nan 0.000 0.430 54 E N 8.127 128.399 120.200 0.120 0.000 1.932 54 E HA -0.013 4.337 4.350 -0.000 0.000 0.275 54 E C 0.481 177.068 176.600 -0.023 0.000 1.159 54 E CA -0.360 56.074 56.400 0.056 0.000 0.905 54 E CB 0.189 29.906 29.700 0.029 0.000 1.059 54 E HN 0.689 nan 8.360 nan 0.000 0.400 55 W N 4.107 125.339 121.300 -0.114 0.000 2.279 55 W HA -0.325 4.335 4.660 -0.000 0.000 0.298 55 W C 0.922 177.366 176.519 -0.125 0.000 1.228 55 W CA 1.517 58.639 57.345 -0.371 0.000 1.230 55 W CB -0.393 28.451 29.460 -1.027 0.000 1.138 55 W HN 0.490 nan 8.180 nan 0.000 0.532 56 E N 0.512 120.276 120.200 -0.726 0.000 2.389 56 E HA -0.082 4.268 4.350 -0.000 0.000 0.199 56 E C 2.324 178.814 176.600 -0.185 0.000 0.978 56 E CA 1.431 57.492 56.400 -0.565 0.000 0.912 56 E CB 0.127 29.129 29.700 -1.164 0.000 0.907 56 E HN 0.262 nan 8.360 nan 0.000 0.494 57 T N -3.793 110.664 114.554 -0.163 0.000 3.021 57 T HA 0.262 4.612 4.350 -0.000 0.000 0.245 57 T C 1.492 176.011 174.700 -0.302 0.000 1.028 57 T CA 0.582 62.607 62.100 -0.125 0.000 1.139 57 T CB 0.618 69.516 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 44.205 45.100 -0.601 0.000 0.677 58 G HN 0.543 nan 8.290 nan 0.000 0.512 59 W N -0.169 121.034 121.300 -0.161 0.000 2.376 59 W HA 0.768 5.428 4.660 -0.000 0.000 0.322 59 W C 0.667 177.151 176.519 -0.057 0.000 1.160 59 W CA -0.901 56.382 57.345 -0.103 0.000 1.218 59 W CB 1.131 30.544 29.460 -0.079 0.000 1.205 59 W HN 0.132 nan 8.180 nan 0.000 0.559 60 M N 4.320 124.101 119.600 0.300 0.000 2.364 60 M HA 0.584 5.064 4.480 -0.000 0.000 0.334 60 M C -1.311 175.116 176.300 0.212 0.000 1.107 60 M CA -0.468 54.951 55.300 0.197 0.000 0.988 60 M CB 0.945 33.618 32.600 0.122 0.000 1.673 60 M HN 0.341 nan 8.290 nan 0.000 0.441 61 L N 3.609 124.947 121.223 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 62.594 62.300 -0.088 0.000 0.893 62 V CB 1.687 33.523 31.823 0.022 0.000 0.982 62 V HN 0.925 nan 8.190 nan 0.000 0.452 63 T N 6.471 120.864 114.554 -0.268 0.000 3.044 63 T HA 0.266 4.616 4.350 -0.000 0.000 0.255 63 T C 0.661 175.019 174.700 -0.570 0.000 1.073 63 T CA 0.873 62.845 62.100 -0.214 0.000 1.125 63 T CB -0.153 68.595 68.868 -0.200 0.000 0.908 63 T HN 0.855 nan 8.240 nan 0.000 0.480 64 R N 0.076 120.083 120.500 -0.822 0.000 2.766 64 R HA 0.571 4.911 4.340 -0.000 0.000 0.270 64 R C -3.344 172.431 176.300 -0.875 0.000 1.035 64 R CA -1.919 53.452 56.100 -1.215 0.000 0.911 64 R CB 0.240 30.162 30.300 -0.630 0.000 1.243 64 R HN -0.156 nan 8.270 nan 0.000 0.460 65 P HA 0.151 nan 4.420 nan 0.000 0.270 65 P C -0.968 176.255 177.300 -0.129 0.000 1.223 65 P CA -0.185 62.799 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 -0.602 120.606 121.223 -0.024 0.000 2.376 66 L HA 0.743 5.083 4.340 -0.000 0.000 0.258 66 L C -0.636 176.277 176.870 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 44.069 42.059 0.053 0.000 1.388 66 L HN 0.118 nan 8.230 nan 0.000 0.413 67 D N -0.359 120.107 120.400 0.110 0.000 2.505 67 D HA 0.301 4.941 4.640 -0.000 0.000 0.250 67 D C 0.825 177.202 176.300 0.128 0.000 1.164 67 D CA -0.754 53.304 54.000 0.096 0.000 0.870 67 D CB 1.557 42.400 40.800 0.072 0.000 1.160 67 D HN 0.631 nan 8.370 nan 0.000 0.549 68 R N 2.556 123.125 120.500 0.115 0.000 2.127 68 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 68 R C 0.902 177.247 176.300 0.076 0.000 1.134 68 R CA 1.224 57.397 56.100 0.121 0.000 0.975 68 R CB -0.180 30.176 30.300 0.093 0.000 0.865 68 R HN 0.251 nan 8.270 nan 0.000 0.447 69 E N 0.690 120.918 120.200 0.047 0.000 2.209 69 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 69 E C 1.660 178.244 176.600 -0.026 0.000 0.993 69 E CA 1.631 58.037 56.400 0.010 0.000 0.819 69 E CB 0.024 29.729 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 -0.388 176.060 176.600 -0.254 0.000 0.974 70 E CA 0.519 56.867 56.400 -0.088 0.000 0.810 70 E CB 0.306 30.050 29.700 0.072 0.000 0.775 70 E HN 0.138 nan 8.360 nan 0.000 0.453 71 Y N 0.402 120.728 120.300 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 57.255 58.100 -0.009 0.000 1.112 71 Y CB 1.636 40.011 38.460 -0.142 0.000 1.170 71 Y HN 0.105 nan 8.280 nan 0.000 0.447 72 D N 1.100 121.600 120.400 0.166 0.000 2.349 72 D HA 0.105 4.745 4.640 -0.000 0.000 0.214 72 D C 0.026 176.441 176.300 0.190 0.000 1.063 72 D CA 0.209 54.306 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 -0.922 119.602 120.400 0.205 0.000 2.610 73 K HA 0.347 4.667 4.320 -0.000 0.000 0.278 73 K C -2.147 174.538 176.600 0.141 0.000 0.964 73 K CA -0.665 55.755 56.287 0.222 0.000 0.859 73 K CB 1.216 33.780 32.500 0.106 0.000 1.434 73 K HN -0.153 nan 8.250 nan 0.000 0.410 74 Y N -0.067 120.234 120.300 0.001 0.000 2.553 74 Y HA 0.573 5.123 4.550 -0.000 0.000 0.347 74 Y C -0.817 175.026 175.900 -0.096 0.000 1.019 74 Y CA -0.815 57.248 58.100 -0.062 0.000 1.032 74 Y CB 2.453 40.819 38.460 -0.156 0.000 1.284 74 Y HN 0.179 nan 8.280 nan 0.000 0.466 75 V N 4.237 124.182 119.914 0.052 0.000 2.638 75 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 75 V C -0.791 175.293 176.094 -0.017 0.000 1.052 75 V CA -0.819 61.481 62.300 0.001 0.000 0.885 75 V CB 1.958 33.782 31.823 0.002 0.000 0.999 75 V HN 0.578 nan 8.190 nan 0.000 0.424 76 L N 2.484 123.677 121.223 -0.050 0.000 2.350 76 L HA 0.722 5.062 4.340 -0.000 0.000 0.260 76 L C -0.321 176.516 176.870 -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 0.481 116.150 115.700 -0.052 0.000 2.478 77 S HA 0.616 5.086 4.470 -0.000 0.000 0.312 77 S C -0.572 173.839 174.600 -0.314 0.000 1.094 77 S CA -0.548 57.574 58.200 -0.129 0.000 1.081 77 S CB 1.153 64.330 63.200 -0.038 0.000 1.007 77 S HN 0.638 nan 8.310 nan 0.000 0.475 78 S N 4.700 120.168 115.700 -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 0.234 119.384 119.070 0.132 0.000 2.894 79 H HA 0.800 5.356 4.556 -0.000 0.000 0.368 79 H C -0.848 174.590 175.328 0.183 0.000 1.181 79 H CA -1.046 55.084 56.048 0.137 0.000 1.146 79 H CB 2.054 31.885 29.762 0.115 0.000 1.839 79 H HN 0.950 nan 8.280 nan 0.000 0.557 80 A N 1.594 124.566 122.820 0.253 0.000 2.547 80 A HA 0.476 4.796 4.320 -0.000 0.000 0.279 80 A C -0.557 177.063 177.584 0.060 0.000 1.088 80 A CA -0.568 51.521 52.037 0.087 0.000 0.796 80 A CB 0.363 19.418 19.000 0.091 0.000 1.308 80 A HN 0.443 nan 8.150 nan 0.000 0.415 81 V N 0.638 120.588 119.914 0.060 0.000 2.994 81 V HA 0.947 5.067 4.120 -0.000 0.000 0.318 81 V C 0.419 176.539 176.094 0.044 0.000 1.085 81 V CA -0.230 62.101 62.300 0.051 0.000 0.998 81 V CB 1.497 33.346 31.823 0.043 0.000 1.063 81 V HN 1.307 nan 8.190 nan 0.000 0.447 82 S N 0.565 116.293 115.700 0.046 0.000 2.652 82 S HA 0.404 4.874 4.470 -0.000 0.000 0.270 82 S C 0.682 175.318 174.600 0.061 0.000 1.243 82 S CA -0.388 57.858 58.200 0.076 0.000 0.999 82 S CB 1.361 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 2.055 178.671 176.600 0.026 0.000 0.989 83 E CA 1.511 57.936 56.400 0.042 0.000 0.800 83 E CB -0.698 29.033 29.700 0.051 0.000 0.746 83 E HN 0.876 nan 8.360 nan 0.000 0.452 84 N N 0.049 118.789 118.700 0.067 0.000 2.192 84 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 84 N C 1.352 176.870 175.510 0.013 0.000 1.013 84 N CA 1.688 54.770 53.050 0.053 0.000 0.863 84 N CB -0.010 38.534 38.487 0.095 0.000 0.990 84 N HN 0.259 nan 8.380 nan 0.000 0.430 85 G N -1.066 107.738 108.800 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 1.752 117.452 115.700 -0.000 0.000 2.541 86 S HA 0.667 5.137 4.470 -0.000 0.000 0.283 86 S C -2.378 172.226 174.600 0.007 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 0.170 177.487 177.300 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 32.360 31.700 0.029 0.000 0.923 88 V N -0.174 119.766 119.914 0.043 0.000 3.219 88 V HA 0.189 4.309 4.120 -0.000 0.000 0.240 88 V C 0.468 176.590 176.094 0.046 0.000 1.222 88 V CA 0.873 63.195 62.300 0.036 0.000 1.181 88 V CB -0.341 31.507 31.823 0.042 0.000 0.941 88 V HN 0.376 nan 8.190 nan 0.000 0.471 89 E N 0.867 121.108 120.200 0.068 0.000 2.212 89 E HA 0.505 4.855 4.350 -0.000 0.000 0.268 89 E C -0.923 175.724 176.600 0.079 0.000 0.902 89 E CA -0.784 55.658 56.400 0.070 0.000 0.779 89 E CB 2.333 32.081 29.700 0.081 0.000 1.172 89 E HN 0.217 nan 8.360 nan 0.000 0.409 90 E N 2.742 122.979 120.200 0.063 0.000 2.465 90 E HA 0.099 4.449 4.350 -0.000 0.000 0.260 90 E C -2.194 174.449 176.600 0.073 0.000 0.980 90 E CA -1.092 55.348 56.400 0.066 0.000 0.927 90 E CB 0.139 29.867 29.700 0.046 0.000 0.934 90 E HN 0.121 nan 8.360 nan 0.000 0.459 91 P HA -0.061 nan 4.420 nan 0.000 0.274 91 P C -0.633 176.659 177.300 -0.013 0.000 1.248 91 P CA 0.540 63.668 63.100 0.047 0.000 0.827 91 P CB 0.389 32.151 31.700 0.105 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 1.921 34.497 32.600 -0.040 0.000 1.639 92 M HN 0.362 nan 8.290 nan 0.000 0.461 93 E N 3.678 123.855 120.200 -0.039 0.000 2.413 93 E HA 0.323 4.673 4.350 -0.000 0.000 0.263 93 E C -1.405 175.170 176.600 -0.042 0.000 1.015 93 E CA 0.306 56.684 56.400 -0.036 0.000 0.916 93 E CB 0.865 30.556 29.700 -0.015 0.000 0.947 93 E HN 0.571 nan 8.360 nan 0.000 0.440 94 I N 2.959 123.498 120.570 -0.051 0.000 2.569 94 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 94 I C -0.795 175.285 176.117 -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 -0.431 174.246 174.700 -0.037 0.000 1.009 95 T CA -0.486 61.595 62.100 -0.033 0.000 0.989 95 T CB 1.922 70.787 68.868 -0.004 0.000 1.004 95 T HN 0.272 nan 8.240 nan 0.000 0.455 96 I N 2.966 123.524 120.570 -0.019 0.000 2.499 96 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 96 I C -0.685 175.481 176.117 0.080 0.000 1.048 96 I CA -0.969 60.327 61.300 -0.005 0.000 1.062 96 I CB 1.884 39.819 38.000 -0.109 0.000 1.238 96 I HN 0.459 nan 8.210 nan 0.000 0.426 97 N N 5.450 124.195 118.700 0.074 0.000 2.400 97 N HA 0.393 5.133 4.740 -0.000 0.000 0.288 97 N C -0.797 174.777 175.510 0.106 0.000 1.024 97 N CA -0.456 52.652 53.050 0.095 0.000 0.894 97 N CB 2.962 41.488 38.487 0.065 0.000 1.173 97 N HN 0.190 nan 8.380 nan 0.000 0.487 98 V N 3.748 123.744 119.914 0.136 0.000 2.334 98 V HA 0.330 4.450 4.120 -0.000 0.000 0.267 98 V C 0.747 176.897 176.094 0.094 0.000 1.040 98 V CA -0.706 61.672 62.300 0.131 0.000 0.866 98 V CB 0.054 31.989 31.823 0.186 0.000 1.019 98 V HN 0.487 nan 8.190 nan 0.000 0.468 99 I N 3.905 124.519 120.570 0.074 0.000 2.533 99 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 99 I C 0.899 177.047 176.117 0.050 0.000 1.109 99 I CA 0.168 61.501 61.300 0.055 0.000 1.412 99 I CB 0.274 38.301 38.000 0.045 0.000 1.396 99 I HN 0.590 nan 8.210 nan 0.000 0.543 100 D N 6.476 126.900 120.400 0.041 0.000 2.400 100 D HA 0.078 4.718 4.640 -0.000 0.000 0.238 100 D C -0.588 175.728 176.300 0.028 0.000 1.157 100 D CA 0.467 54.487 54.000 0.034 0.000 0.889 100 D CB 0.953 41.768 40.800 0.024 0.000 1.199 100 D HN 0.527 nan 8.370 nan 0.000 0.436 101 Q N 1.632 121.448 119.800 0.025 0.000 2.359 101 Q HA 0.142 4.482 4.340 -0.000 0.000 0.274 101 Q C -0.897 175.111 176.000 0.014 0.000 1.074 101 Q CA -0.841 54.974 55.803 0.020 0.000 0.810 101 Q CB 1.554 30.307 28.738 0.025 0.000 1.342 101 Q HN 0.345 nan 8.270 nan 0.000 0.427 102 N N 1.785 120.489 118.700 0.008 0.000 2.814 102 N HA -0.061 4.679 4.740 -0.000 0.000 0.304 102 N C -0.508 175.004 175.510 0.004 0.000 1.211 102 N CA 0.369 53.420 53.050 0.002 0.000 1.158 102 N CB 0.114 38.599 38.487 -0.003 0.000 1.458 102 N HN 0.423 nan 8.380 nan 0.000 0.519 103 D N -1.418 118.986 120.400 0.007 0.000 2.407 103 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 103 D C -0.393 175.910 176.300 0.005 0.000 1.083 103 D CA 0.038 54.043 54.000 0.009 0.000 0.844 103 D CB 0.006 40.816 40.800 0.016 0.000 0.967 103 D HN 0.085 nan 8.370 nan 0.000 0.506 104 N N 1.123 119.823 118.700 -0.000 0.000 2.392 104 N HA 0.234 4.974 4.740 -0.000 0.000 0.283 104 N C -0.798 174.705 175.510 -0.012 0.000 1.003 104 N CA -0.523 52.525 53.050 -0.004 0.000 0.892 104 N CB 2.284 40.768 38.487 -0.005 0.000 1.193 104 N HN 0.108 nan 8.380 nan 0.000 0.487 105 R N 2.876 123.372 120.500 -0.008 0.000 2.490 105 R HA 0.372 4.712 4.340 -0.000 0.000 0.278 105 R C -2.051 174.235 176.300 -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 30.933 30.300 0.003 0.000 1.030 105 R HN 0.322 nan 8.270 nan 0.000 0.491 106 P HA 0.166 nan 4.420 nan 0.000 0.286 106 P C -1.520 175.747 177.300 -0.054 0.000 1.293 106 P CA -0.279 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 -0.427 119.929 120.400 -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 2.169 122.195 119.950 0.127 0.000 2.518 108 F HA 0.035 4.562 4.527 -0.000 0.000 0.359 108 F C 1.961 177.882 175.800 0.200 0.000 1.118 108 F CA 0.483 58.611 58.000 0.214 0.000 1.287 108 F CB 1.176 40.352 39.000 0.293 0.000 1.132 108 F HN 0.692 nan 8.300 nan 0.000 0.587 109 T N 1.219 116.045 114.554 0.453 0.000 2.624 109 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 109 T C 0.684 175.445 174.700 0.102 0.000 1.041 109 T CA 1.545 63.806 62.100 0.268 0.000 1.159 109 T CB -0.159 68.903 68.868 0.323 0.000 0.863 109 T HN 0.542 nan 8.240 nan 0.000 0.434 110 Q N -0.383 119.378 119.800 -0.064 0.000 2.333 110 Q HA 0.388 4.728 4.340 -0.000 0.000 0.266 110 Q C 0.337 176.227 176.000 -0.183 0.000 1.053 110 Q CA -0.674 54.913 55.803 -0.361 0.000 0.890 110 Q CB 0.998 29.170 28.738 -0.943 0.000 1.337 110 Q HN -0.029 nan 8.270 nan 0.000 0.474 111 D N -0.520 119.771 120.400 -0.181 0.000 2.346 111 D HA 0.065 4.705 4.640 -0.000 0.000 0.206 111 D C -0.599 175.638 176.300 -0.105 0.000 1.001 111 D CA 0.343 54.296 54.000 -0.079 0.000 0.871 111 D CB 0.789 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 -1.794 117.993 119.914 -0.211 0.000 2.823 112 V HA 0.467 4.587 4.120 -0.000 0.000 0.296 112 V C -0.996 174.968 176.094 -0.217 0.000 1.250 112 V CA -1.133 61.102 62.300 -0.108 0.000 0.939 112 V CB 0.710 32.489 31.823 -0.072 0.000 1.062 112 V HN -0.143 nan 8.190 nan 0.000 0.433 113 F N 2.352 122.257 119.950 -0.075 0.000 2.458 113 F HA 0.834 5.361 4.527 -0.000 0.000 0.330 113 F C 0.745 176.509 175.800 -0.060 0.000 1.082 113 F CA -0.673 57.293 58.000 -0.056 0.000 0.995 113 F CB 2.129 41.095 39.000 -0.056 0.000 1.170 113 F HN 0.422 nan 8.300 nan 0.000 0.478 114 R N 0.567 121.136 120.500 0.116 0.000 2.854 114 R HA 0.838 5.178 4.340 -0.000 0.000 0.271 114 R C -0.453 175.872 176.300 0.042 0.000 0.996 114 R CA -1.114 55.017 56.100 0.052 0.000 0.961 114 R CB 2.248 32.559 30.300 0.019 0.000 1.182 114 R HN 0.894 nan 8.270 nan 0.000 0.479 115 G N -0.387 108.422 108.800 0.016 0.000 2.684 115 G HA2 0.536 4.496 3.960 -0.000 0.000 0.290 115 G HA3 0.536 4.496 3.960 -0.000 0.000 0.290 115 G C -1.481 173.428 174.900 0.015 0.000 1.425 115 G CA -0.535 44.568 45.100 0.005 0.000 0.822 115 G HN 0.571 nan 8.290 nan 0.000 0.482 116 S N -1.617 114.097 115.700 0.022 0.000 2.537 116 S HA 0.806 5.276 4.470 -0.000 0.000 0.271 116 S C -1.114 173.515 174.600 0.049 0.000 1.148 116 S CA -0.534 57.691 58.200 0.042 0.000 0.868 116 S CB 1.644 64.866 63.200 0.037 0.000 1.115 116 S HN 1.670 nan 8.310 nan 0.000 0.461 117 V N 0.416 120.373 119.914 0.072 0.000 3.178 117 V HA 0.665 4.785 4.120 -0.000 0.000 0.302 117 V C -0.308 175.833 176.094 0.078 0.000 1.262 117 V CA -1.179 61.165 62.300 0.074 0.000 1.030 117 V CB 1.871 33.752 31.823 0.096 0.000 1.074 117 V HN 1.152 nan 8.190 nan 0.000 0.438 118 R N 1.129 121.667 120.500 0.064 0.000 2.410 118 R HA 0.313 4.653 4.340 -0.000 0.000 0.288 118 R C 1.535 177.875 176.300 0.066 0.000 1.051 118 R CA 0.134 56.271 56.100 0.062 0.000 1.021 118 R CB 1.197 31.526 30.300 0.048 0.000 1.032 118 R HN 0.999 nan 8.270 nan 0.000 0.481 119 E N 2.812 123.056 120.200 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 1.511 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 2.052 110.880 108.800 0.047 0.000 2.985 120 G HA2 0.106 4.066 3.960 -0.000 0.000 0.209 120 G HA3 0.106 4.066 3.960 -0.000 0.000 0.209 120 G C 0.788 175.703 174.900 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 -2.184 117.745 119.914 0.024 0.000 3.237 121 V HA 0.323 4.443 4.120 -0.000 0.000 0.305 121 V C -0.074 176.022 176.094 0.002 0.000 1.096 121 V CA -0.862 61.447 62.300 0.016 0.000 1.130 121 V CB 0.919 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 2.830 122.630 119.800 -0.000 0.000 2.259 122 Q HA 0.395 4.735 4.340 -0.000 0.000 0.246 122 Q C -2.353 173.637 176.000 -0.018 0.000 0.920 122 Q CA -1.841 53.956 55.803 -0.009 0.000 0.895 122 Q CB 1.318 30.053 28.738 -0.005 0.000 1.220 122 Q HN 0.705 nan 8.270 nan 0.000 0.439 123 P HA -0.070 nan 4.420 nan 0.000 0.264 123 P C 0.180 177.466 177.300 -0.023 0.000 1.193 123 P CA 0.716 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 1.471 110.260 108.800 -0.018 0.000 2.145 124 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.176 124 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.176 124 G C -0.127 174.775 174.900 0.003 0.000 1.013 124 G CA -0.371 44.725 45.100 -0.006 0.000 0.689 124 G HN 0.643 nan 8.290 nan 0.000 0.506 125 T N 0.816 115.375 114.554 0.009 0.000 2.771 125 T HA 0.500 4.850 4.350 -0.000 0.000 0.281 125 T C 0.205 174.923 174.700 0.030 0.000 0.982 125 T CA -0.327 61.784 62.100 0.018 0.000 0.978 125 T CB 1.878 70.757 68.868 0.019 0.000 0.930 125 T HN 0.438 nan 8.240 nan 0.000 0.447 126 Q N 3.505 123.318 119.800 0.021 0.000 2.271 126 Q HA 0.258 4.598 4.340 -0.000 0.000 0.273 126 Q C 0.284 176.296 176.000 0.021 0.000 1.051 126 Q CA -0.155 55.659 55.803 0.018 0.000 0.901 126 Q CB 0.802 29.544 28.738 0.006 0.000 1.174 126 Q HN 0.620 nan 8.270 nan 0.000 0.385 127 V N 4.793 124.718 119.914 0.019 0.000 3.064 127 V HA 0.204 4.324 4.120 -0.000 0.000 0.215 127 V C 0.753 176.836 176.094 -0.018 0.000 1.167 127 V CA 0.403 62.709 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 0.203 119.771 119.600 -0.053 0.000 2.356 128 M HA 0.710 5.190 4.480 -0.000 0.000 0.219 128 M C -0.461 175.794 176.300 -0.075 0.000 1.004 128 M CA 0.081 55.345 55.300 -0.060 0.000 1.427 128 M CB 1.417 33.962 32.600 -0.092 0.000 1.197 128 M HN 0.536 nan 8.290 nan 0.000 0.739 129 A N 0.054 122.817 122.820 -0.095 0.000 2.547 129 A HA 0.646 4.966 4.320 -0.000 0.000 0.298 129 A C -1.719 175.734 177.584 -0.217 0.000 1.062 129 A CA -0.626 51.331 52.037 -0.134 0.000 0.748 129 A CB 1.069 20.032 19.000 -0.063 0.000 1.288 129 A HN 0.456 nan 8.150 nan 0.000 0.396 130 V N 1.339 121.015 119.914 -0.397 0.000 2.876 130 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 130 V C 0.107 175.922 176.094 -0.465 0.000 1.085 130 V CA -0.449 61.427 62.300 -0.707 0.000 0.945 130 V CB 2.370 33.678 31.823 -0.858 0.000 1.017 130 V HN 1.035 nan 8.190 nan 0.000 0.428 131 S N 1.499 117.089 115.700 -0.182 0.000 2.634 131 S HA 1.013 5.483 4.470 -0.000 0.000 0.296 131 S C -0.434 174.316 174.600 0.250 0.000 1.104 131 S CA -0.186 58.077 58.200 0.105 0.000 0.920 131 S CB 2.101 65.431 63.200 0.217 0.000 1.111 131 S HN 1.419 nan 8.310 nan 0.000 0.493 132 A N 0.827 123.745 122.820 0.164 0.000 2.549 132 A HA 0.769 5.089 4.320 -0.000 0.000 0.291 132 A C -0.921 176.659 177.584 -0.007 0.000 1.034 132 A CA -0.713 51.328 52.037 0.007 0.000 0.655 132 A CB 0.665 19.426 19.000 -0.398 0.000 1.299 132 A HN 1.066 nan 8.150 nan 0.000 0.427 133 T N -1.200 113.323 114.554 -0.051 0.000 2.843 133 T HA 0.765 5.115 4.350 -0.000 0.000 0.302 133 T C -1.690 172.974 174.700 -0.061 0.000 1.232 133 T CA -0.575 61.499 62.100 -0.043 0.000 1.009 133 T CB 2.168 71.034 68.868 -0.003 0.000 1.254 133 T HN 0.767 nan 8.240 nan 0.000 0.504 134 D N -0.522 119.845 120.400 -0.054 0.000 2.646 134 D HA 0.327 4.967 4.640 -0.000 0.000 0.245 134 D C 0.298 176.581 176.300 -0.029 0.000 1.099 134 D CA -0.504 53.467 54.000 -0.049 0.000 0.849 134 D CB 2.666 43.429 40.800 -0.063 0.000 1.448 134 D HN 0.730 nan 8.370 nan 0.000 0.489 135 E N 1.161 121.349 120.200 -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 0.149 54.145 54.000 -0.006 0.000 0.958 136 D CB 0.312 41.108 40.800 -0.007 0.000 1.114 136 D HN -0.019 nan 8.370 nan 0.000 0.496 137 D N -0.956 119.444 120.400 -0.001 0.000 2.390 137 D HA -0.020 4.620 4.640 -0.000 0.000 0.236 137 D C 0.081 176.376 176.300 -0.008 0.000 1.189 137 D CA 0.257 54.256 54.000 -0.001 0.000 0.887 137 D CB 0.163 40.967 40.800 0.005 0.000 1.198 137 D HN 0.570 nan 8.370 nan 0.000 0.444 138 N N 2.015 120.711 118.700 -0.008 0.000 2.423 138 N HA 0.126 4.866 4.740 -0.000 0.000 0.262 138 N C -0.050 175.456 175.510 -0.008 0.000 1.467 138 N CA -0.219 52.824 53.050 -0.013 0.000 0.847 138 N CB 0.073 38.550 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 0.241 4.411 4.170 -0.000 0.000 0.337 139 I C -0.481 175.637 176.117 0.001 0.000 1.338 139 I CA 0.160 61.460 61.300 -0.001 0.000 1.244 139 I CB 0.762 38.764 38.000 0.002 0.000 1.417 139 I HN 0.027 nan 8.210 nan 0.000 0.501 140 D N -0.272 120.129 120.400 0.001 0.000 2.412 140 D HA 0.150 4.790 4.640 -0.000 0.000 0.326 140 D C 0.373 176.674 176.300 0.001 0.000 1.209 140 D CA 0.553 54.554 54.000 0.003 0.000 0.876 140 D CB 1.049 41.853 40.800 0.007 0.000 1.344 140 D HN 0.314 nan 8.370 nan 0.000 0.503 141 S N -0.686 115.013 115.700 -0.002 0.000 2.806 141 S HA 0.576 5.046 4.470 -0.000 0.000 0.306 141 S C 0.080 174.672 174.600 -0.012 0.000 1.167 141 S CA -0.627 57.570 58.200 -0.005 0.000 0.847 141 S CB 1.236 64.434 63.200 -0.003 0.000 1.216 141 S HN -0.027 nan 8.310 nan 0.000 0.532 142 L N 0.982 122.195 121.223 -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 -0.472 41.571 42.059 -0.027 0.000 1.270 142 L HN 0.537 nan 8.230 nan 0.000 0.528 143 N N 1.323 120.009 118.700 -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 54.297 53.050 -0.023 0.000 0.907 143 N CB -0.070 38.410 38.487 -0.012 0.000 0.954 143 N HN 0.351 nan 8.380 nan 0.000 0.445 144 G N -0.821 107.957 108.800 -0.036 0.000 3.979 144 G HA2 0.267 4.227 3.960 -0.000 0.000 0.287 144 G HA3 0.267 4.227 3.960 -0.000 0.000 0.287 144 G C -0.353 174.510 174.900 -0.061 0.000 1.011 144 G CA -0.103 44.970 45.100 -0.045 0.000 0.818 144 G HN 0.189 nan 8.290 nan 0.000 0.470 145 V N -0.453 119.419 119.914 -0.071 0.000 2.435 145 V HA 0.793 4.913 4.120 -0.000 0.000 0.290 145 V C -0.526 175.483 176.094 -0.142 0.000 1.030 145 V CA -1.180 61.066 62.300 -0.091 0.000 0.881 145 V CB 1.628 33.411 31.823 -0.066 0.000 0.983 145 V HN -0.092 nan 8.190 nan 0.000 0.445 146 L N 3.820 124.910 121.223 -0.221 0.000 2.365 146 L HA 0.737 5.077 4.340 -0.000 0.000 0.267 146 L C 0.382 177.001 176.870 -0.417 0.000 1.033 146 L CA -0.284 54.343 54.840 -0.355 0.000 0.802 146 L CB 1.363 43.100 42.059 -0.537 0.000 1.267 146 L HN 0.938 nan 8.230 nan 0.000 0.457 147 S N -0.237 115.204 115.700 -0.432 0.000 2.672 147 S HA 0.628 5.098 4.470 -0.000 0.000 0.291 147 S C -1.072 173.335 174.600 -0.322 0.000 1.145 147 S CA -0.434 57.582 58.200 -0.307 0.000 1.013 147 S CB 0.404 63.521 63.200 -0.138 0.000 1.017 147 S HN 0.311 nan 8.310 nan 0.000 0.487 148 Y N 2.552 122.832 120.300 -0.034 0.000 2.307 148 Y HA 0.644 5.194 4.550 -0.000 0.000 0.324 148 Y C 1.134 177.034 175.900 -0.000 0.000 1.238 148 Y CA -0.083 58.004 58.100 -0.021 0.000 1.280 148 Y CB 1.503 39.945 38.460 -0.029 0.000 1.248 148 Y HN 0.793 nan 8.280 nan 0.000 0.508 149 S N 0.838 116.654 115.700 0.192 0.000 2.636 149 S HA 0.785 5.255 4.470 -0.000 0.000 0.268 149 S C -1.539 173.121 174.600 0.099 0.000 1.159 149 S CA -0.997 57.271 58.200 0.113 0.000 0.815 149 S CB 1.269 64.514 63.200 0.076 0.000 1.130 149 S HN 0.514 nan 8.310 nan 0.000 0.471 150 I N 0.898 121.509 120.570 0.067 0.000 2.730 150 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 150 I C -0.791 175.355 176.117 0.048 0.000 1.089 150 I CA -1.081 60.249 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 -0.104 176.789 176.870 0.038 0.000 1.268 151 L CA -0.341 54.523 54.840 0.040 0.000 1.064 151 L CB -0.273 41.809 42.059 0.039 0.000 1.455 151 L HN 0.603 nan 8.230 nan 0.000 0.622 152 K N 1.757 122.182 120.400 0.042 0.000 2.372 152 K HA 0.239 4.559 4.320 -0.000 0.000 0.354 152 K C -1.514 175.124 176.600 0.063 0.000 1.394 152 K CA -0.129 56.187 56.287 0.048 0.000 1.138 152 K CB 0.921 33.443 32.500 0.037 0.000 1.399 152 K HN 0.437 nan 8.250 nan 0.000 0.480 153 Q N 2.523 122.380 119.800 0.096 0.000 2.257 153 Q HA 0.314 4.654 4.340 -0.000 0.000 0.255 153 Q C -0.461 175.636 176.000 0.163 0.000 0.920 153 Q CA -0.785 55.110 55.803 0.154 0.000 0.927 153 Q CB 1.858 30.734 28.738 0.230 0.000 1.229 153 Q HN 0.342 nan 8.270 nan 0.000 0.433 154 D N 2.795 123.291 120.400 0.160 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 52.631 54.000 0.108 0.000 1.020 154 D CB 0.059 40.892 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 -0.029 120.208 120.200 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 0.580 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 -1.881 118.273 120.200 -0.077 0.000 2.314 157 E HA 0.274 4.625 4.350 -0.000 0.000 0.272 157 E C -2.179 174.067 176.600 -0.591 0.000 0.884 157 E CA -2.289 53.969 56.400 -0.237 0.000 0.753 157 E CB 1.599 31.207 29.700 -0.154 0.000 1.213 157 E HN -0.168 nan 8.360 nan 0.000 0.432 158 P HA -0.047 nan 4.420 nan 0.000 0.215 158 P C -0.087 177.123 177.300 -0.150 0.000 1.153 158 P CA 1.379 64.304 63.100 -0.291 0.000 0.853 158 P CB 0.072 31.641 31.700 -0.219 0.000 0.788 159 I N -7.347 113.135 120.570 -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 2.625 40.563 38.000 -0.103 0.000 1.279 159 I HN -0.366 nan 8.210 nan 0.000 0.465 160 P HA 0.314 nan 4.420 nan 0.000 0.288 160 P C -1.145 176.128 177.300 -0.045 0.000 1.682 160 P CA -0.097 62.984 63.100 -0.033 0.000 1.270 160 P CB -0.416 31.282 31.700 -0.003 0.000 1.596 161 N N 0.079 118.716 118.700 -0.104 0.000 2.646 161 N HA 0.230 4.970 4.740 -0.000 0.000 0.303 161 N C 1.003 176.370 175.510 -0.239 0.000 1.921 161 N CA -0.348 52.637 53.050 -0.108 0.000 0.872 161 N CB 0.239 38.681 38.487 -0.075 0.000 1.327 161 N HN -0.090 nan 8.380 nan 0.000 0.492 162 L N -0.707 120.248 121.223 -0.447 0.000 2.201 162 L HA 0.134 4.474 4.340 -0.000 0.000 0.212 162 L C -0.310 175.925 176.870 -1.058 0.000 1.105 162 L CA 1.253 55.539 54.840 -0.924 0.000 0.775 162 L CB -0.316 40.819 42.059 -1.540 0.000 0.913 162 L HN 0.224 nan 8.230 nan 0.000 0.440 163 F N -2.688 117.187 119.950 -0.125 0.000 2.675 163 F HA 0.637 5.164 4.527 -0.000 0.000 0.324 163 F C 0.060 175.823 175.800 -0.062 0.000 1.106 163 F CA -1.012 56.933 58.000 -0.092 0.000 0.970 163 F CB 1.404 40.344 39.000 -0.099 0.000 1.385 163 F HN -0.491 nan 8.300 nan 0.000 0.489 164 T N 0.426 115.088 114.554 0.179 0.000 2.816 164 T HA 0.742 5.092 4.350 -0.000 0.000 0.299 164 T C -1.942 172.794 174.700 0.061 0.000 1.230 164 T CA -0.531 61.621 62.100 0.087 0.000 1.007 164 T CB 1.707 70.602 68.868 0.046 0.000 1.289 164 T HN 0.708 nan 8.240 nan 0.000 0.508 165 I N 2.507 123.098 120.570 0.036 0.000 2.647 165 I HA 0.484 4.654 4.170 -0.000 0.000 0.295 165 I C -0.668 175.464 176.117 0.024 0.000 1.078 165 I CA -0.961 60.344 61.300 0.009 0.000 1.048 165 I CB 1.952 39.951 38.000 -0.002 0.000 1.239 165 I HN 0.563 nan 8.210 nan 0.000 0.421 166 N N 6.135 124.839 118.700 0.007 0.000 2.405 166 N HA 0.141 4.881 4.740 -0.000 0.000 0.260 166 N C 0.819 176.384 175.510 0.090 0.000 1.152 166 N CA 0.236 53.304 53.050 0.031 0.000 0.948 166 N CB 0.908 39.401 38.487 0.010 0.000 1.111 166 N HN 0.649 nan 8.380 nan 0.000 0.485 167 R N 2.491 123.054 120.500 0.104 0.000 2.117 167 R HA -0.200 4.140 4.340 -0.000 0.000 0.243 167 R C 1.564 177.993 176.300 0.215 0.000 1.143 167 R CA 1.605 57.794 56.100 0.149 0.000 0.968 167 R CB 0.058 30.398 30.300 0.067 0.000 0.863 167 R HN 0.694 nan 8.270 nan 0.000 0.444 168 E N -0.022 120.269 120.200 0.153 0.000 2.060 168 E HA -0.113 4.237 4.350 -0.000 0.000 0.189 168 E C 1.671 178.420 176.600 0.248 0.000 0.974 168 E CA 1.570 58.057 56.400 0.145 0.000 0.808 168 E CB 0.217 29.959 29.700 0.070 0.000 0.768 168 E HN 0.408 nan 8.360 nan 0.000 0.453 169 T N -3.495 111.149 114.554 0.150 0.000 3.051 169 T HA 0.219 4.569 4.350 -0.000 0.000 0.255 169 T C 1.501 176.093 174.700 -0.181 0.000 1.085 169 T CA 0.666 62.797 62.100 0.052 0.000 1.109 169 T CB 0.451 69.317 68.868 -0.004 0.000 0.921 169 T HN 0.339 nan 8.240 nan 0.000 0.488 170 G N 1.016 109.652 108.800 -0.274 0.000 2.148 170 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.254 170 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.254 170 G C 0.028 174.688 174.900 -0.400 0.000 0.981 170 G CA 0.015 44.662 45.100 -0.755 0.000 0.670 170 G HN 0.772 nan 8.290 nan 0.000 0.528 171 V N 1.096 120.886 119.914 -0.206 0.000 2.649 171 V HA 0.613 4.733 4.120 -0.000 0.000 0.292 171 V C 1.024 177.059 176.094 -0.099 0.000 1.055 171 V CA -0.416 61.800 62.300 -0.139 0.000 1.023 171 V CB 1.626 33.402 31.823 -0.078 0.000 0.992 171 V HN 0.305 nan 8.190 nan 0.000 0.480 172 I N 2.427 122.941 120.570 -0.093 0.000 2.562 172 I HA 0.581 4.751 4.170 -0.000 0.000 0.301 172 I C 0.162 176.279 176.117 -0.000 0.000 1.003 172 I CA 0.015 61.282 61.300 -0.056 0.000 1.127 172 I CB 2.033 39.961 38.000 -0.120 0.000 1.304 172 I HN 0.611 nan 8.210 nan 0.000 0.446 173 S N 3.940 119.677 115.700 0.062 0.000 2.595 173 S HA 0.512 4.982 4.470 -0.000 0.000 0.281 173 S C -1.054 173.647 174.600 0.168 0.000 1.117 173 S CA -0.552 57.702 58.200 0.089 0.000 0.873 173 S CB 2.166 65.390 63.200 0.041 0.000 1.108 173 S HN 0.413 nan 8.310 nan 0.000 0.477 174 L N 2.746 124.041 121.223 0.121 0.000 2.360 174 L HA 0.483 4.823 4.340 -0.000 0.000 0.276 174 L C 0.331 177.167 176.870 -0.057 0.000 1.121 174 L CA 0.619 55.468 54.840 0.016 0.000 0.845 174 L CB 0.057 42.102 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 1.250 177.285 176.117 -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 38.308 38.000 -0.080 0.000 1.240 175 I HN 0.771 nan 8.210 nan 0.000 0.453 176 G N 0.052 108.721 108.800 -0.218 0.000 2.543 176 G HA2 0.469 4.429 3.960 -0.000 0.000 0.267 176 G HA3 0.469 4.429 3.960 -0.000 0.000 0.267 176 G C -0.712 174.084 174.900 -0.174 0.000 1.406 176 G CA 0.373 45.358 45.100 -0.193 0.000 1.048 176 G HN 0.257 nan 8.290 nan 0.000 0.548 177 T N -4.919 109.546 114.554 -0.149 0.000 3.032 177 T HA 0.581 4.931 4.350 -0.000 0.000 0.312 177 T C 0.077 174.721 174.700 -0.093 0.000 1.078 177 T CA 0.324 62.359 62.100 -0.107 0.000 1.028 177 T CB 1.634 70.463 68.868 -0.066 0.000 1.091 177 T HN 2.100 nan 8.240 nan 0.000 0.457 178 G N 2.078 110.837 108.800 -0.068 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 -0.217 174.689 174.900 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 1.607 122.835 121.223 0.008 0.000 2.462 179 L HA 0.484 4.824 4.340 -0.000 0.000 0.272 179 L C -0.285 176.665 176.870 0.133 0.000 1.166 179 L CA 0.160 55.047 54.840 0.078 0.000 0.880 179 L CB 0.913 43.001 42.059 0.049 0.000 1.142 179 L HN 0.164 nan 8.230 nan 0.000 0.473 180 D N 2.502 123.034 120.400 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 0.095 0.000 0.963 181 R CB 0.244 30.586 30.300 0.070 0.000 0.858 181 R HN 0.408 nan 8.270 nan 0.000 0.435 182 E N 0.166 120.387 120.200 0.035 0.000 2.209 182 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 182 E C 1.661 178.210 176.600 -0.085 0.000 0.993 182 E CA 1.433 57.827 56.400 -0.010 0.000 0.819 182 E CB 0.124 29.828 29.700 0.006 0.000 0.745 182 E HN 0.336 nan 8.360 nan 0.000 0.477 183 K N -1.143 119.183 120.400 -0.124 0.000 2.344 183 K HA 0.195 4.515 4.320 -0.000 0.000 0.200 183 K C -0.383 175.772 176.600 -0.741 0.000 1.132 183 K CA 0.236 56.242 56.287 -0.467 0.000 0.935 183 K CB 0.684 32.829 32.500 -0.593 0.000 1.089 183 K HN -0.003 nan 8.250 nan 0.000 0.496 184 F N 1.538 121.483 119.950 -0.008 0.000 2.771 184 F HA 0.264 4.791 4.527 -0.000 0.000 0.365 184 F C -2.093 173.677 175.800 -0.051 0.000 1.169 184 F CA -1.722 56.229 58.000 -0.082 0.000 1.093 184 F CB 1.830 40.771 39.000 -0.098 0.000 1.363 184 F HN -0.093 nan 8.300 nan 0.000 0.496 185 P HA -0.018 nan 4.420 nan 0.000 0.239 185 P C -0.174 177.172 177.300 0.078 0.000 1.188 185 P CA 0.723 63.872 63.100 0.081 0.000 0.794 185 P CB 1.239 32.958 31.700 0.032 0.000 0.937 186 E N -0.253 119.928 120.200 -0.033 0.000 2.317 186 E HA 0.269 4.619 4.350 -0.000 0.000 0.270 186 E C -1.376 175.166 176.600 -0.097 0.000 0.899 186 E CA -0.675 55.729 56.400 0.005 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 1.271 121.622 120.300 0.084 0.000 2.320 187 Y HA 0.366 4.916 4.550 -0.000 0.000 0.324 187 Y C 0.414 176.320 175.900 0.010 0.000 1.190 187 Y CA -0.320 57.824 58.100 0.073 0.000 1.215 187 Y CB 2.006 40.550 38.460 0.140 0.000 1.221 187 Y HN 0.243 nan 8.280 nan 0.000 0.486 188 T N 4.834 119.478 114.554 0.150 0.000 2.892 188 T HA 0.558 4.908 4.350 -0.000 0.000 0.311 188 T C -0.818 173.917 174.700 0.058 0.000 1.033 188 T CA -0.762 61.376 62.100 0.063 0.000 0.991 188 T CB -0.195 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 0.496 121.724 121.223 0.008 0.000 2.334 189 L HA 0.861 5.201 4.340 -0.000 0.000 0.273 189 L C -0.241 176.610 176.870 -0.033 0.000 1.013 189 L CA -1.011 53.827 54.840 -0.004 0.000 0.816 189 L CB 1.416 43.449 42.059 -0.043 0.000 1.278 189 L HN 0.267 nan 8.230 nan 0.000 0.431 190 T N 2.352 116.898 114.554 -0.015 0.000 2.767 190 T HA 0.533 4.883 4.350 -0.000 0.000 0.288 190 T C 0.107 174.798 174.700 -0.014 0.000 0.963 190 T CA -0.532 61.552 62.100 -0.027 0.000 1.019 190 T CB 1.591 70.456 68.868 -0.005 0.000 0.923 190 T HN 0.607 nan 8.240 nan 0.000 0.468 191 V N 1.536 121.427 119.914 -0.037 0.000 2.994 191 V HA 0.785 4.905 4.120 -0.000 0.000 0.318 191 V C -0.685 175.523 176.094 0.191 0.000 1.085 191 V CA -0.972 61.361 62.300 0.054 0.000 0.998 191 V CB 1.962 33.812 31.823 0.045 0.000 1.063 191 V HN 0.869 nan 8.190 nan 0.000 0.447 192 Q N 1.169 121.148 119.800 0.297 0.000 2.379 192 Q HA 0.778 5.118 4.340 -0.000 0.000 0.278 192 Q C -1.417 174.725 176.000 0.237 0.000 1.068 192 Q CA -0.666 55.331 55.803 0.325 0.000 0.816 192 Q CB 2.483 31.316 28.738 0.159 0.000 1.387 192 Q HN 1.374 nan 8.270 nan 0.000 0.413 193 A N 1.773 124.637 122.820 0.072 0.000 2.386 193 A HA 0.866 5.186 4.320 -0.000 0.000 0.311 193 A C -1.067 176.418 177.584 -0.165 0.000 1.068 193 A CA -0.382 51.549 52.037 -0.176 0.000 0.743 193 A CB 2.147 20.877 19.000 -0.450 0.000 1.258 193 A HN 0.634 nan 8.150 nan 0.000 0.429 194 T N 0.934 115.368 114.554 -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 61.556 62.100 -0.135 0.000 1.000 194 T CB 1.464 70.284 68.868 -0.080 0.000 1.103 194 T HN 0.650 nan 8.240 nan 0.000 0.486 195 D N 1.416 121.756 120.400 -0.099 0.000 2.400 195 D HA 0.190 4.830 4.640 -0.000 0.000 0.238 195 D C 0.963 177.220 176.300 -0.071 0.000 1.157 195 D CA 0.075 54.026 54.000 -0.082 0.000 0.889 195 D CB 0.223 40.990 40.800 -0.054 0.000 1.199 195 D HN 0.652 nan 8.370 nan 0.000 0.436 196 L N 1.668 122.852 121.223 -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 -2.046 39.991 42.059 -0.036 0.000 1.689 196 L HN 0.661 nan 8.230 nan 0.000 0.890 197 E N -1.554 118.600 120.200 -0.077 0.000 2.302 197 E HA -0.198 4.152 4.350 -0.000 0.000 0.186 197 E C 1.322 177.883 176.600 -0.065 0.000 1.444 197 E CA 0.651 57.005 56.400 -0.076 0.000 0.671 197 E CB -1.528 28.142 29.700 -0.050 0.000 1.122 197 E HN 1.017 nan 8.360 nan 0.000 0.366 198 G N -0.412 108.339 108.800 -0.082 0.000 2.189 198 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.267 198 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.267 198 G C 0.942 175.818 174.900 -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 -0.241 122.556 122.820 -0.040 0.000 1.924 199 A HA 0.599 4.919 4.320 -0.000 0.000 0.211 199 A C 2.334 179.903 177.584 -0.025 0.000 1.198 199 A CA 1.730 53.750 52.037 -0.028 0.000 0.657 199 A CB -0.639 18.347 19.000 -0.024 0.000 0.852 199 A HN 1.519 nan 8.150 nan 0.000 0.454 200 G N 0.011 108.792 108.800 -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 0.118 45.202 45.100 -0.027 0.000 0.900 200 G HN 0.354 nan 8.290 nan 0.000 0.389 201 L N 0.205 121.411 121.223 -0.027 0.000 2.352 201 L HA 0.589 4.929 4.340 -0.000 0.000 0.269 201 L C -0.035 176.820 176.870 -0.025 0.000 1.034 201 L CA -0.695 54.134 54.840 -0.018 0.000 0.806 201 L CB 2.111 44.162 42.059 -0.014 0.000 1.244 201 L HN 0.481 nan 8.230 nan 0.000 0.447 202 S N 0.067 115.764 115.700 -0.005 0.000 2.632 202 S HA 0.913 5.383 4.470 -0.000 0.000 0.289 202 S C -0.593 174.033 174.600 0.044 0.000 1.115 202 S CA -0.757 57.447 58.200 0.006 0.000 0.889 202 S CB 2.214 65.425 63.200 0.018 0.000 1.116 202 S HN 0.600 nan 8.310 nan 0.000 0.486 203 V N -2.073 117.896 119.914 0.092 0.000 3.202 203 V HA 0.901 5.021 4.120 -0.000 0.000 0.306 203 V C -1.922 174.385 176.094 0.354 0.000 1.283 203 V CA -1.179 61.233 62.300 0.188 0.000 1.065 203 V CB 1.443 33.384 31.823 0.197 0.000 1.079 203 V HN 0.919 nan 8.190 nan 0.000 0.448 204 E N 0.028 120.437 120.200 0.348 0.000 2.299 204 E HA 0.888 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 56.537 56.400 0.203 0.000 0.789 204 E CB 2.027 31.762 29.700 0.059 0.000 1.246 204 E HN 1.214 nan 8.360 nan 0.000 0.427 205 G N 0.252 108.688 108.800 -0.607 0.000 3.135 205 G HA2 0.759 4.719 3.960 -0.000 0.000 0.278 205 G HA3 0.759 4.719 3.960 -0.000 0.000 0.278 205 G C -1.232 173.445 174.900 -0.371 0.000 1.302 205 G CA -0.760 43.799 45.100 -0.902 0.000 0.880 205 G HN 0.244 nan 8.290 nan 0.000 0.574 206 K N -0.939 119.308 120.400 -0.254 0.000 2.575 206 K HA 0.585 4.905 4.320 -0.000 0.000 0.255 206 K C -1.412 175.173 176.600 -0.026 0.000 0.953 206 K CA -0.509 55.712 56.287 -0.109 0.000 0.840 206 K CB 2.297 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 4.034 126.827 122.820 -0.045 0.000 2.371 207 A HA 0.795 5.115 4.320 -0.000 0.000 0.311 207 A C -1.040 176.522 177.584 -0.035 0.000 1.068 207 A CA -0.665 51.361 52.037 -0.018 0.000 0.744 207 A CB 0.723 19.661 19.000 -0.103 0.000 1.239 207 A HN 0.640 nan 8.150 nan 0.000 0.435 208 I N 2.716 123.280 120.570 -0.010 0.000 2.466 208 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 208 I C -1.047 175.069 176.117 -0.001 0.000 1.026 208 I CA -0.374 60.924 61.300 -0.003 0.000 1.078 208 I CB 1.890 39.895 38.000 0.009 0.000 1.249 208 I HN 0.520 nan 8.210 nan 0.000 0.429 209 I N 5.712 126.291 120.570 0.014 0.000 2.378 209 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 209 I C -0.131 176.054 176.117 0.114 0.000 0.992 209 I CA -0.559 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 6.060 125.911 119.800 0.086 0.000 2.214 210 Q HA 0.570 4.910 4.340 -0.000 0.000 0.251 210 Q C -1.044 175.027 176.000 0.118 0.000 0.936 210 Q CA -0.711 55.149 55.803 0.094 0.000 0.894 210 Q CB 2.237 31.007 28.738 0.053 0.000 1.252 210 Q HN 0.601 nan 8.270 nan 0.000 0.448 211 I N 2.802 123.451 120.570 0.132 0.000 2.328 211 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 211 I C 0.578 176.750 176.117 0.091 0.000 1.012 211 I CA -0.416 60.966 61.300 0.136 0.000 1.195 211 I CB 1.614 39.730 38.000 0.194 0.000 1.350 211 I HN 0.500 nan 8.210 nan 0.000 0.464 212 T N 4.279 118.877 114.554 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 62.230 62.100 0.054 0.000 1.035 212 T CB 0.487 69.383 68.868 0.046 0.000 1.003 212 T HN 0.562 nan 8.240 nan 0.000 0.540 213 D N -0.656 119.772 120.400 0.046 0.000 2.272 213 D HA 0.582 5.222 4.640 -0.000 0.000 0.247 213 D C -0.864 175.468 176.300 0.054 0.000 0.990 213 D CA -0.508 53.521 54.000 0.049 0.000 0.931 213 D CB 1.790 42.614 40.800 0.040 0.000 1.195 213 D HN 0.627 nan 8.370 nan 0.000 0.477 214 A N 1.877 124.734 122.820 0.061 0.000 2.515 214 A HA 0.327 4.647 4.320 -0.000 0.000 0.296 214 A C -0.296 177.336 177.584 0.080 0.000 1.094 214 A CA -0.718 51.358 52.037 0.066 0.000 0.718 214 A CB 1.317 20.355 19.000 0.063 0.000 1.307 214 A HN 0.517 nan 8.150 nan 0.000 0.408 215 N N 0.614 119.372 118.700 0.097 0.000 3.111 215 N HA 0.119 4.859 4.740 -0.000 0.000 0.302 215 N C -0.047 175.539 175.510 0.128 0.000 1.317 215 N CA 0.235 53.368 53.050 0.138 0.000 1.151 215 N CB -0.226 38.370 38.487 0.182 0.000 1.456 215 N HN 0.583 nan 8.380 nan 0.000 0.547 216 D N -1.379 119.070 120.400 0.081 0.000 2.178 216 D HA -0.078 4.562 4.640 -0.000 0.000 0.201 216 D C -0.005 176.303 176.300 0.012 0.000 0.980 216 D CA 1.117 55.145 54.000 0.047 0.000 0.842 216 D CB 0.091 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 0.241 118.958 118.700 0.028 0.000 2.430 217 N HA 0.536 5.276 4.740 -0.000 0.000 0.298 217 N C -0.809 174.670 175.510 -0.052 0.000 1.130 217 N CA -0.578 52.462 53.050 -0.017 0.000 0.894 217 N CB 1.959 40.454 38.487 0.014 0.000 1.209 217 N HN 0.005 nan 8.380 nan 0.000 0.503 218 A N 1.467 124.201 122.820 -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 -0.200 0.000 0.850 218 A CB 0.487 19.284 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 -1.072 176.108 177.300 -0.199 0.000 1.253 219 P CA 0.042 63.028 63.100 -0.190 0.000 0.800 219 P CB 0.768 32.305 31.700 -0.273 0.000 0.961 220 I N 3.216 123.670 120.570 -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 39.129 38.000 -0.022 0.000 1.245 220 I HN 0.223 nan 8.210 nan 0.000 0.434 221 F N 5.029 125.007 119.950 0.046 0.000 2.571 221 F HA -0.067 4.460 4.527 -0.000 0.000 0.390 221 F C 1.641 177.481 175.800 0.067 0.000 1.043 221 F CA 0.401 58.452 58.000 0.085 0.000 1.164 221 F CB 0.191 39.264 39.000 0.121 0.000 1.049 221 F HN 0.508 nan 8.300 nan 0.000 0.552 222 D N 3.529 124.058 120.400 0.216 0.000 2.378 222 D HA 0.061 4.701 4.640 -0.000 0.000 0.227 222 D C -1.851 174.482 176.300 0.055 0.000 1.012 222 D CA 0.176 54.255 54.000 0.132 0.000 0.905 222 D CB -0.192 40.642 40.800 0.058 0.000 0.895 222 D HN 0.356 nan 8.370 nan 0.000 0.532 223 P HA 0.299 nan 4.420 nan 0.000 0.293 223 P C 0.020 177.313 177.300 -0.012 0.000 1.303 223 P CA -0.414 62.558 63.100 -0.213 0.000 0.972 223 P CB 2.220 33.373 31.700 -0.912 0.000 1.377 224 K N -0.766 119.595 120.400 -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 0.733 56.993 56.287 -0.044 0.000 0.965 224 K CB 0.384 32.869 32.500 -0.026 0.000 0.983 224 K HN 0.506 nan 8.250 nan 0.000 0.531 225 T N -1.058 113.470 114.554 -0.043 0.000 2.949 225 T HA 0.477 4.827 4.350 -0.000 0.000 0.300 225 T C -0.684 174.032 174.700 0.027 0.000 0.988 225 T CA -0.811 61.298 62.100 0.015 0.000 0.993 225 T CB 0.413 69.268 68.868 -0.022 0.000 0.984 225 T HN 0.007 nan 8.240 nan 0.000 0.442 226 Y N 1.464 121.713 120.300 -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 2.277 40.692 38.460 -0.075 0.000 1.388 226 Y HN 0.902 nan 8.280 nan 0.000 0.528 227 T N -1.152 113.497 114.554 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 1.578 70.473 68.868 0.044 0.000 1.209 227 T HN 1.064 nan 8.240 nan 0.000 0.484 228 A N 1.878 124.720 122.820 0.035 0.000 2.612 228 A HA 0.816 5.136 4.320 -0.000 0.000 0.293 228 A C -1.643 175.967 177.584 0.042 0.000 1.075 228 A CA -1.018 51.038 52.037 0.032 0.000 0.680 228 A CB 1.313 20.313 19.000 0.000 0.000 1.279 228 A HN 0.962 nan 8.150 nan 0.000 0.411 229 L N 0.631 121.889 121.223 0.059 0.000 2.334 229 L HA 0.864 5.204 4.340 -0.000 0.000 0.270 229 L C -0.383 176.549 176.870 0.103 0.000 1.018 229 L CA -1.028 53.852 54.840 0.065 0.000 0.811 229 L CB 1.944 44.033 42.059 0.051 0.000 1.271 229 L HN 0.919 nan 8.230 nan 0.000 0.443 230 V N -0.346 119.611 119.914 0.073 0.000 3.120 230 V HA 0.657 4.777 4.120 -0.000 0.000 0.303 230 V C -3.024 173.048 176.094 -0.036 0.000 1.238 230 V CA -2.014 60.336 62.300 0.084 0.000 1.008 230 V CB 2.277 34.166 31.823 0.110 0.000 1.064 230 V HN 0.445 nan 8.190 nan 0.000 0.434 231 P HA 0.498 nan 4.420 nan 0.000 0.296 231 P C 0.455 177.635 177.300 -0.199 0.000 1.301 231 P CA -0.277 62.718 63.100 -0.175 0.000 0.862 231 P CB 1.917 33.468 31.700 -0.247 0.000 1.046 232 E N 1.913 121.995 120.200 -0.197 0.000 2.033 232 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 232 E C 0.078 176.573 176.600 -0.174 0.000 1.011 232 E CA 1.447 57.716 56.400 -0.219 0.000 0.815 232 E CB -0.012 29.591 29.700 -0.163 0.000 0.755 232 E HN 0.369 nan 8.360 nan 0.000 0.451 233 N N -0.501 118.114 118.700 -0.141 0.000 2.675 233 N HA 0.065 4.805 4.740 -0.000 0.000 0.254 233 N C -0.579 174.868 175.510 -0.105 0.000 1.224 233 N CA -0.056 52.928 53.050 -0.111 0.000 0.777 233 N CB 0.906 39.347 38.487 -0.076 0.000 1.256 233 N HN -0.014 nan 8.380 nan 0.000 0.531 234 E N 1.271 121.402 120.200 -0.115 0.000 2.940 234 E HA 0.138 4.488 4.350 -0.000 0.000 0.203 234 E C 0.572 177.130 176.600 -0.070 0.000 0.995 234 E CA -0.191 56.150 56.400 -0.097 0.000 1.396 234 E CB 0.766 30.387 29.700 -0.131 0.000 1.310 234 E HN 0.592 nan 8.360 nan 0.000 0.613 235 I N 0.778 121.298 120.570 -0.082 0.000 3.276 235 I HA -0.088 4.082 4.170 -0.000 0.000 0.341 235 I C -0.024 176.094 176.117 0.001 0.000 1.151 235 I CA 1.344 62.622 61.300 -0.038 0.000 1.496 235 I CB 0.209 38.170 38.000 -0.065 0.000 1.264 235 I HN 0.161 nan 8.210 nan 0.000 0.525 236 G N 6.837 115.675 108.800 0.063 0.000 1.974 236 G HA2 0.469 4.429 3.960 -0.000 0.000 0.303 236 G HA3 0.469 4.429 3.960 -0.000 0.000 0.303 236 G C -1.327 173.679 174.900 0.176 0.000 2.080 236 G CA -0.249 44.893 45.100 0.070 0.000 0.896 236 G HN 1.202 nan 8.290 nan 0.000 0.514 237 F N 1.278 121.205 119.950 -0.037 0.000 2.665 237 F HA 0.698 5.225 4.527 -0.000 0.000 0.308 237 F C -0.465 175.324 175.800 -0.019 0.000 1.112 237 F CA -1.096 56.886 58.000 -0.028 0.000 0.972 237 F CB 1.596 40.574 39.000 -0.037 0.000 1.295 237 F HN 0.412 nan 8.300 nan 0.000 0.440 238 E N 3.924 123.662 120.200 -0.771 0.000 2.463 238 E HA 0.096 4.446 4.350 -0.000 0.000 0.248 238 E C 0.238 176.183 176.600 -1.091 0.000 1.106 238 E CA -0.004 55.943 56.400 -0.756 0.000 0.946 238 E CB 1.138 30.578 29.700 -0.434 0.000 0.971 238 E HN 0.731 nan 8.360 nan 0.000 0.478 239 V N 3.971 123.516 119.914 -0.616 0.000 2.256 239 V HA -0.047 4.073 4.120 -0.000 0.000 0.240 239 V C 0.318 176.256 176.094 -0.261 0.000 1.036 239 V CA 1.839 63.899 62.300 -0.400 0.000 1.008 239 V CB 0.217 31.917 31.823 -0.204 0.000 0.648 239 V HN 0.820 nan 8.190 nan 0.000 0.453 240 Q N -0.667 118.992 119.800 -0.234 0.000 2.435 240 Q HA 0.472 4.812 4.340 -0.000 0.000 0.282 240 Q C -0.981 174.891 176.000 -0.212 0.000 1.020 240 Q CA -0.618 55.079 55.803 -0.176 0.000 0.820 240 Q CB 1.748 30.396 28.738 -0.151 0.000 1.436 240 Q HN 0.482 nan 8.270 nan 0.000 0.395 241 R N 1.358 121.773 120.500 -0.143 0.000 2.720 241 R HA 0.745 5.085 4.340 -0.000 0.000 0.272 241 R C -0.941 175.277 176.300 -0.136 0.000 0.991 241 R CA -0.737 55.279 56.100 -0.140 0.000 1.010 241 R CB 1.072 31.335 30.300 -0.061 0.000 1.141 241 R HN 0.547 nan 8.270 nan 0.000 0.494 242 L N 0.029 121.160 121.223 -0.153 0.000 2.354 242 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 242 L C -0.490 176.463 176.870 0.137 0.000 1.008 242 L CA -0.460 54.361 54.840 -0.032 0.000 0.819 242 L CB 2.300 44.209 42.059 -0.250 0.000 1.339 242 L HN 0.532 nan 8.230 nan 0.000 0.420 243 S N 0.668 116.549 115.700 0.301 0.000 2.537 243 S HA 0.939 5.409 4.470 -0.000 0.000 0.301 243 S C -0.674 174.006 174.600 0.134 0.000 1.092 243 S CA -0.710 57.594 58.200 0.173 0.000 1.048 243 S CB 2.203 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 -1.198 174.823 176.094 -0.122 0.000 1.376 244 V CA -0.969 61.253 62.300 -0.130 0.000 1.063 244 V CB 1.696 33.319 31.823 -0.333 0.000 1.103 244 V HN 0.987 nan 8.190 nan 0.000 0.451 245 T N -1.044 113.432 114.554 -0.131 0.000 3.176 245 T HA 0.441 4.791 4.350 -0.000 0.000 0.337 245 T C -0.991 173.666 174.700 -0.072 0.000 0.957 245 T CA -0.300 61.757 62.100 -0.071 0.000 1.092 245 T CB 0.741 69.615 68.868 0.011 0.000 1.018 245 T HN 1.080 nan 8.240 nan 0.000 0.473 246 D N 2.123 122.453 120.400 -0.116 0.000 2.312 246 D HA 0.334 4.974 4.640 -0.000 0.000 0.248 246 D C 0.298 176.674 176.300 0.127 0.000 1.086 246 D CA -0.694 53.279 54.000 -0.044 0.000 0.948 246 D CB 1.511 42.239 40.800 -0.120 0.000 1.162 246 D HN 0.388 nan 8.370 nan 0.000 0.446 247 L N 1.988 123.285 121.223 0.123 0.000 2.766 247 L HA 0.174 4.514 4.340 -0.000 0.000 0.242 247 L C 0.836 177.788 176.870 0.137 0.000 1.136 247 L CA -0.122 54.799 54.840 0.134 0.000 0.933 247 L CB 0.018 42.115 42.059 0.063 0.000 1.241 247 L HN 0.275 nan 8.230 nan 0.000 0.522 248 D N -0.416 120.086 120.400 0.171 0.000 2.289 248 D HA 0.040 4.680 4.640 -0.000 0.000 0.266 248 D C 0.394 176.760 176.300 0.109 0.000 1.243 248 D CA -0.268 53.810 54.000 0.129 0.000 1.019 248 D CB 0.379 41.260 40.800 0.134 0.000 1.126 248 D HN -0.054 nan 8.370 nan 0.000 0.541 249 M N 1.125 120.755 119.600 0.049 0.000 2.220 249 M HA 0.076 4.556 4.480 -0.000 0.000 0.343 249 M C -1.901 174.288 176.300 -0.186 0.000 1.470 249 M CA -1.224 54.039 55.300 -0.062 0.000 1.161 249 M CB 1.206 33.781 32.600 -0.041 0.000 1.737 249 M HN -0.036 nan 8.290 nan 0.000 0.464 250 P HA -0.252 nan 4.420 nan 0.000 0.216 250 P C 0.920 177.763 177.300 -0.761 0.000 1.062 250 P CA 2.406 64.729 63.100 -1.295 0.000 0.995 250 P CB -0.169 30.926 31.700 -1.008 0.000 0.762 251 G N -2.433 106.134 108.800 -0.388 0.000 2.708 251 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.210 251 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.210 251 G C 0.170 175.066 174.900 -0.006 0.000 1.141 251 G CA 0.489 45.496 45.100 -0.154 0.000 0.788 251 G HN 0.302 nan 8.290 nan 0.000 0.531 252 T N 0.793 115.362 114.554 0.024 0.000 2.907 252 T HA 0.341 4.691 4.350 -0.000 0.000 0.284 252 T C -1.845 172.958 174.700 0.171 0.000 1.004 252 T CA -1.178 60.975 62.100 0.088 0.000 1.063 252 T CB 2.154 71.058 68.868 0.059 0.000 0.992 252 T HN -0.239 nan 8.240 nan 0.000 0.483 253 P HA 0.065 nan 4.420 nan 0.000 0.234 253 P C 0.503 177.846 177.300 0.073 0.000 1.162 253 P CA 0.327 63.472 63.100 0.075 0.000 0.759 253 P CB 0.030 31.749 31.700 0.032 0.000 0.813 254 A N -3.620 119.275 122.820 0.125 0.000 2.465 254 A HA 0.195 4.515 4.320 -0.000 0.000 0.255 254 A C 1.111 178.825 177.584 0.217 0.000 1.274 254 A CA -0.270 51.848 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 -0.872 120.425 121.300 -0.006 0.000 2.121 255 W HA 0.290 4.950 4.660 -0.000 0.000 0.275 255 W C 0.170 176.673 176.519 -0.027 0.000 0.903 255 W CA 0.121 57.459 57.345 -0.013 0.000 1.253 255 W CB 0.677 30.131 29.460 -0.008 0.000 1.016 255 W HN 0.150 nan 8.180 nan 0.000 0.537 256 Q N 2.361 122.190 119.800 0.049 0.000 2.274 256 Q HA 0.514 4.854 4.340 -0.000 0.000 0.256 256 Q C -0.267 175.615 176.000 -0.197 0.000 0.927 256 Q CA 0.027 55.781 55.803 -0.081 0.000 0.939 256 Q CB 1.580 30.338 28.738 0.032 0.000 1.201 256 Q HN 0.117 nan 8.270 nan 0.000 0.426 257 A N 3.501 126.141 122.820 -0.299 0.000 2.316 257 A HA 0.577 4.897 4.320 -0.000 0.000 0.284 257 A C -0.697 176.660 177.584 -0.378 0.000 1.115 257 A CA -0.442 51.346 52.037 -0.414 0.000 0.812 257 A CB 0.939 19.619 19.000 -0.534 0.000 1.064 257 A HN 0.510 nan 8.150 nan 0.000 0.489 258 V N 2.471 122.092 119.914 -0.488 0.000 2.638 258 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 258 V C -0.983 174.859 176.094 -0.420 0.000 1.052 258 V CA -0.277 61.843 62.300 -0.299 0.000 0.885 258 V CB 1.112 32.839 31.823 -0.161 0.000 0.999 258 V HN 0.911 nan 8.190 nan 0.000 0.424 259 Y N 3.050 123.346 120.300 -0.007 0.000 2.782 259 Y HA 0.854 5.404 4.550 -0.000 0.000 0.329 259 Y C 0.251 176.163 175.900 0.021 0.000 1.192 259 Y CA -1.005 57.106 58.100 0.019 0.000 1.216 259 Y CB 1.301 39.774 38.460 0.021 0.000 1.447 259 Y HN 0.587 nan 8.280 nan 0.000 0.616 260 K N 0.351 120.903 120.400 0.253 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 0.010 32.567 32.500 0.095 0.000 1.355 260 K HN 0.651 nan 8.250 nan 0.000 0.388 261 I N -0.241 120.373 120.570 0.074 0.000 2.834 261 I HA 0.336 4.506 4.170 -0.000 0.000 0.305 261 I C 0.882 177.032 176.117 0.056 0.000 1.008 261 I CA -0.672 60.657 61.300 0.048 0.000 1.273 261 I CB 1.061 39.086 38.000 0.042 0.000 1.432 261 I HN 0.753 nan 8.210 nan 0.000 0.557 262 R N 2.833 123.361 120.500 0.045 0.000 2.057 262 R HA 0.247 4.587 4.340 -0.000 0.000 0.224 262 R C -0.077 176.254 176.300 0.052 0.000 1.136 262 R CA 0.934 57.062 56.100 0.046 0.000 0.968 262 R CB -0.209 30.113 30.300 0.037 0.000 0.863 262 R HN 0.566 nan 8.270 nan 0.000 0.433 263 V N 2.430 122.381 119.914 0.062 0.000 2.483 263 V HA 0.218 4.338 4.120 -0.000 0.000 0.297 263 V C -0.542 175.626 176.094 0.122 0.000 1.027 263 V CA -0.898 61.448 62.300 0.077 0.000 0.855 263 V CB 1.913 33.779 31.823 0.073 0.000 0.995 263 V HN 0.170 nan 8.190 nan 0.000 0.424 264 N N 3.061 121.834 118.700 0.122 0.000 2.801 264 N HA 0.143 4.883 4.740 -0.000 0.000 0.235 264 N C 0.982 176.572 175.510 0.133 0.000 1.069 264 N CA -0.117 53.045 53.050 0.185 0.000 0.946 264 N CB 1.274 39.837 38.487 0.126 0.000 1.212 264 N HN 0.861 nan 8.380 nan 0.000 0.509 265 E N 2.611 122.981 120.200 0.284 0.000 2.160 265 E HA -0.219 4.131 4.350 -0.000 0.000 0.237 265 E C 1.177 177.687 176.600 -0.150 0.000 1.069 265 E CA 2.466 59.016 56.400 0.251 0.000 0.950 265 E CB -0.444 29.690 29.700 0.724 0.000 0.832 265 E HN 0.598 nan 8.360 nan 0.000 0.496 266 G N -2.383 105.814 108.800 -1.005 0.000 3.453 266 G HA2 0.386 4.346 3.960 -0.000 0.000 0.263 266 G HA3 0.386 4.346 3.960 -0.000 0.000 0.263 266 G C 0.611 174.806 174.900 -1.175 0.000 1.060 266 G CA 0.213 44.456 45.100 -1.428 0.000 0.793 266 G HN 0.801 nan 8.290 nan 0.000 0.532 267 G N 0.802 109.196 108.800 -0.676 0.000 2.295 267 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.287 267 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.287 267 G C 0.318 175.092 174.900 -0.210 0.000 1.055 267 G CA 0.347 45.292 45.100 -0.259 0.000 0.922 267 G HN 0.944 nan 8.290 nan 0.000 0.503 268 F N -1.766 118.094 119.950 -0.151 0.000 2.963 268 F HA 0.731 5.258 4.527 -0.000 0.000 0.321 268 F C 0.019 175.300 175.800 -0.864 0.000 1.234 268 F CA -1.451 56.287 58.000 -0.437 0.000 1.296 268 F CB 0.175 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 -0.775 175.043 175.800 0.031 0.000 1.119 269 F CA -1.219 56.821 58.000 0.068 0.000 0.979 269 F CB 1.914 40.941 39.000 0.046 0.000 1.266 269 F HN -0.047 nan 8.300 nan 0.000 0.444 270 N N 2.345 121.171 118.700 0.210 0.000 2.229 270 N HA 0.701 5.441 4.740 -0.000 0.000 0.298 270 N C -1.923 173.626 175.510 0.066 0.000 1.114 270 N CA -0.537 52.578 53.050 0.109 0.000 0.776 270 N CB 2.362 40.886 38.487 0.061 0.000 1.501 270 N HN 0.726 nan 8.380 nan 0.000 0.474 271 I N 1.270 121.860 120.570 0.034 0.000 2.571 271 I HA 0.466 4.636 4.170 -0.000 0.000 0.289 271 I C -0.946 175.174 176.117 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 3.989 118.533 114.554 -0.017 0.000 2.919 272 T HA 0.600 4.950 4.350 -0.000 0.000 0.282 272 T C -0.471 174.249 174.700 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 -1.246 173.487 174.700 0.055 0.000 1.039 273 T CA -0.793 61.376 62.100 0.115 0.000 1.024 273 T CB 1.675 70.635 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 -2.764 173.568 176.300 0.053 0.000 1.248 274 D CA -2.277 51.746 54.000 0.039 0.000 0.903 274 D CB 2.058 42.873 40.800 0.024 0.000 1.544 274 D HN 0.035 nan 8.370 nan 0.000 0.543 275 P HA 0.086 nan 4.420 nan 0.000 0.238 275 P C -0.177 177.210 177.300 0.145 0.000 1.649 275 P CA 0.439 63.620 63.100 0.134 0.000 0.960 275 P CB -0.046 31.727 31.700 0.121 0.000 1.911 276 E N -1.837 118.440 120.200 0.128 0.000 2.357 276 E HA 0.147 4.497 4.350 -0.000 0.000 0.190 276 E C 0.584 177.296 176.600 0.187 0.000 1.022 276 E CA -0.096 56.378 56.400 0.123 0.000 1.068 276 E CB -0.303 29.440 29.700 0.072 0.000 1.465 276 E HN -0.087 nan 8.360 nan 0.000 0.503 277 S N 0.705 116.477 115.700 0.120 0.000 2.901 277 S HA 0.139 4.609 4.470 -0.000 0.000 0.248 277 S C -0.622 173.936 174.600 -0.069 0.000 1.021 277 S CA 0.064 58.332 58.200 0.114 0.000 1.090 277 S CB -1.004 62.252 63.200 0.093 0.000 1.039 277 S HN 0.510 nan 8.310 nan 0.000 0.514 278 N N 1.347 120.003 118.700 -0.073 0.000 2.745 278 N HA -0.247 4.493 4.740 -0.000 0.000 0.271 278 N C -0.124 175.357 175.510 -0.048 0.000 0.960 278 N CA 0.418 53.401 53.050 -0.111 0.000 0.833 278 N CB -0.918 37.393 38.487 -0.292 0.000 0.919 278 N HN 0.586 nan 8.380 nan 0.000 0.566 279 Q N -0.032 119.765 119.800 -0.005 0.000 2.443 279 Q HA 0.236 4.576 4.340 -0.000 0.000 0.232 279 Q C 0.783 176.768 176.000 -0.025 0.000 1.026 279 Q CA 0.161 55.966 55.803 0.003 0.000 0.924 279 Q CB 0.804 29.539 28.738 -0.005 0.000 1.256 279 Q HN 0.539 nan 8.270 nan 0.000 0.519 280 G N 1.334 110.025 108.800 -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 -0.419 44.338 45.100 -0.571 0.000 0.953 280 G HN 0.546 nan 8.290 nan 0.000 0.420 281 I N 3.914 124.327 120.570 -0.262 0.000 2.330 281 I HA 0.408 4.578 4.170 -0.000 0.000 0.286 281 I C -0.328 175.672 176.117 -0.196 0.000 1.025 281 I CA -0.832 60.352 61.300 -0.193 0.000 1.197 281 I CB 0.691 38.622 38.000 -0.114 0.000 1.358 281 I HN 0.250 nan 8.210 nan 0.000 0.467 282 L N 7.978 129.065 121.223 -0.227 0.000 2.343 282 L HA 0.651 4.991 4.340 -0.000 0.000 0.275 282 L C -0.192 176.590 176.870 -0.147 0.000 1.056 282 L CA -0.062 54.666 54.840 -0.188 0.000 0.804 282 L CB 1.635 43.544 42.059 -0.251 0.000 1.203 282 L HN 0.709 nan 8.230 nan 0.000 0.440 283 T N -1.401 113.123 114.554 -0.048 0.000 2.754 283 T HA 0.442 4.792 4.350 -0.000 0.000 0.296 283 T C -0.563 174.222 174.700 0.142 0.000 1.205 283 T CA -0.707 61.377 62.100 -0.026 0.000 1.009 283 T CB 1.534 70.373 68.868 -0.049 0.000 1.368 283 T HN 0.551 nan 8.240 nan 0.000 0.509 284 T N -0.063 114.536 114.554 0.075 0.000 2.771 284 T HA 0.653 5.003 4.350 -0.000 0.000 0.291 284 T C 1.394 176.061 174.700 -0.055 0.000 0.954 284 T CA -0.361 61.730 62.100 -0.015 0.000 1.045 284 T CB 1.281 70.141 68.868 -0.015 0.000 0.917 284 T HN 0.934 nan 8.240 nan 0.000 0.484 285 A N 3.336 126.074 122.820 -0.136 0.000 1.843 285 A HA 0.093 4.413 4.320 -0.000 0.000 0.213 285 A C 1.233 178.790 177.584 -0.044 0.000 1.202 285 A CA 0.516 52.519 52.037 -0.056 0.000 0.607 285 A CB -0.178 18.800 19.000 -0.037 0.000 0.847 285 A HN 0.879 nan 8.150 nan 0.000 0.445 286 K N -0.918 119.449 120.400 -0.056 0.000 3.029 286 K HA 0.488 4.808 4.320 -0.000 0.000 0.169 286 K C 0.358 176.940 176.600 -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 0.812 nan 8.250 nan 0.000 0.613 287 G N 1.500 110.258 108.800 -0.070 0.000 2.909 287 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.385 287 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.385 287 G C -0.366 174.442 174.900 -0.153 0.000 1.436 287 G CA 0.108 45.151 45.100 -0.095 0.000 0.949 287 G HN 0.384 nan 8.290 nan 0.000 0.556 288 L N -1.980 119.122 121.223 -0.203 0.000 2.563 288 L HA 0.890 5.230 4.340 -0.000 0.000 0.255 288 L C 0.585 177.352 176.870 -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 43.119 42.059 -0.651 0.000 1.929 288 L HN 0.697 nan 8.230 nan 0.000 0.563 289 D N -1.371 118.854 120.400 -0.291 0.000 3.244 289 D HA 0.193 4.833 4.640 -0.000 0.000 0.292 289 D C -1.086 175.326 176.300 0.187 0.000 1.652 289 D CA -0.135 53.921 54.000 0.093 0.000 0.803 289 D CB 0.262 41.282 40.800 0.366 0.000 1.390 289 D HN 0.335 nan 8.370 nan 0.000 0.528 290 F N -1.910 118.043 119.950 0.005 0.000 2.817 290 F HA 0.678 5.205 4.527 -0.000 0.000 0.317 290 F C 0.171 175.984 175.800 0.022 0.000 1.168 290 F CA -1.008 57.003 58.000 0.019 0.000 0.911 290 F CB 0.845 39.864 39.000 0.032 0.000 1.337 290 F HN -0.283 nan 8.300 nan 0.000 0.464 291 E N 0.114 120.555 120.200 0.401 0.000 2.630 291 E HA 0.397 4.747 4.350 -0.000 0.000 0.218 291 E C 0.917 177.622 176.600 0.175 0.000 0.977 291 E CA 0.114 56.645 56.400 0.218 0.000 1.038 291 E CB 0.619 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 -0.091 121.244 121.223 0.185 0.000 2.286 292 L HA 0.297 4.637 4.340 -0.000 0.000 0.203 292 L C 0.486 177.192 176.870 -0.274 0.000 1.068 292 L CA 0.489 55.176 54.840 -0.255 0.000 0.811 292 L CB 0.345 41.984 42.059 -0.701 0.000 0.989 292 L HN -0.082 nan 8.230 nan 0.000 0.467 293 R N -0.567 119.910 120.500 -0.039 0.000 2.668 293 R HA 0.281 4.621 4.340 -0.000 0.000 0.272 293 R C -0.300 176.275 176.300 0.459 0.000 1.019 293 R CA -0.431 55.763 56.100 0.157 0.000 0.894 293 R CB 2.256 32.524 30.300 -0.053 0.000 1.228 293 R HN -0.180 nan 8.270 nan 0.000 0.460 294 K N 0.360 120.855 120.400 0.158 0.000 2.436 294 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 294 K C -0.132 176.513 176.600 0.076 0.000 1.174 294 K CA 0.416 56.785 56.287 0.137 0.000 0.951 294 K CB 0.970 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 0.123 119.872 119.800 -0.085 0.000 2.245 295 Q HA 0.268 4.608 4.340 -0.000 0.000 0.256 295 Q C -1.549 174.182 176.000 -0.449 0.000 0.942 295 Q CA -0.624 55.098 55.803 -0.136 0.000 0.896 295 Q CB 1.643 30.324 28.738 -0.095 0.000 1.272 295 Q HN 0.118 nan 8.270 nan 0.000 0.442 296 Y N 0.482 120.811 120.300 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 0.021 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 2.311 297 V HA 0.523 4.643 4.120 -0.000 0.000 0.275 297 V C -0.403 175.715 176.094 0.041 0.000 1.022 297 V CA -0.481 61.843 62.300 0.040 0.000 0.830 297 V CB 0.635 32.467 31.823 0.015 0.000 1.012 297 V HN 0.567 nan 8.190 nan 0.000 0.452 298 L N 3.217 124.439 121.223 -0.002 0.000 2.350 298 L HA 0.812 5.152 4.340 -0.000 0.000 0.260 298 L C -0.910 175.926 176.870 -0.057 0.000 1.015 298 L CA -0.943 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 1.405 121.180 119.800 -0.042 0.000 2.375 299 Q HA 0.710 5.050 4.340 -0.000 0.000 0.271 299 Q C -1.624 174.357 176.000 -0.031 0.000 1.074 299 Q CA -0.705 55.065 55.803 -0.055 0.000 0.808 299 Q CB 3.312 32.031 28.738 -0.031 0.000 1.327 299 Q HN 0.483 nan 8.270 nan 0.000 0.441 300 I N 1.423 121.968 120.570 -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 -0.289 61.054 61.300 0.071 0.000 1.078 300 I CB 2.074 40.116 38.000 0.070 0.000 1.249 300 I HN 0.611 nan 8.210 nan 0.000 0.429 301 T N 3.028 117.716 114.554 0.223 0.000 2.934 301 T HA 0.779 5.129 4.350 -0.000 0.000 0.283 301 T C -0.448 174.410 174.700 0.263 0.000 1.005 301 T CA -0.829 61.424 62.100 0.255 0.000 1.041 301 T CB 1.943 70.898 68.868 0.145 0.000 1.042 301 T HN 0.396 nan 8.240 nan 0.000 0.505 302 V N 1.534 121.545 119.914 0.162 0.000 2.588 302 V HA 0.600 4.720 4.120 -0.000 0.000 0.304 302 V C -0.938 175.077 176.094 -0.132 0.000 1.042 302 V CA -0.569 61.618 62.300 -0.187 0.000 0.877 302 V CB 1.549 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 4.405 124.497 120.200 -0.180 0.000 2.447 303 E HA 0.531 4.881 4.350 -0.000 0.000 0.251 303 E C -0.998 175.523 176.600 -0.133 0.000 0.910 303 E CA -1.062 55.311 56.400 -0.044 0.000 0.841 303 E CB 1.860 31.519 29.700 -0.069 0.000 1.403 303 E HN 0.762 nan 8.360 nan 0.000 0.400 304 N N -1.201 117.430 118.700 -0.114 0.000 2.525 304 N HA 0.375 5.115 4.740 -0.000 0.000 0.288 304 N C 0.301 175.712 175.510 -0.164 0.000 1.242 304 N CA -0.215 52.762 53.050 -0.121 0.000 0.905 304 N CB 1.443 39.902 38.487 -0.046 0.000 1.258 304 N HN 0.480 nan 8.380 nan 0.000 0.551 305 A N 0.231 122.983 122.820 -0.114 0.000 1.897 305 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 305 A C 0.506 178.014 177.584 -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 0.609 120.732 120.200 -0.128 0.000 2.231 306 E HA 0.499 4.849 4.350 -0.000 0.000 0.277 306 E C -2.747 173.689 176.600 -0.273 0.000 0.999 306 E CA -2.379 53.936 56.400 -0.142 0.000 0.827 306 E CB 0.485 30.142 29.700 -0.072 0.000 1.101 306 E HN 0.071 nan 8.360 nan 0.000 0.393 307 P HA -0.061 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 0.146 62.999 63.100 -0.412 0.000 0.803 307 P CB 0.235 31.820 31.700 -0.191 0.000 0.974 308 F N -1.352 118.595 119.950 -0.005 0.000 2.422 308 F HA 0.233 4.760 4.527 -0.000 0.000 0.333 308 F C 1.371 177.173 175.800 0.003 0.000 1.095 308 F CA -0.314 57.685 58.000 -0.001 0.000 1.038 308 F CB 0.364 39.361 39.000 -0.004 0.000 1.156 308 F HN 0.100 nan 8.300 nan 0.000 0.483 309 S N 0.553 116.387 115.700 0.224 0.000 2.786 309 S HA 0.339 4.809 4.470 -0.000 0.000 0.223 309 S C 0.024 174.687 174.600 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 0.837 120.829 119.914 0.131 0.000 3.155 310 V HA 0.243 4.363 4.120 -0.000 0.000 0.272 310 V C -2.881 173.244 176.094 0.051 0.000 1.639 310 V CA -1.889 60.451 62.300 0.066 0.000 1.006 310 V CB 2.109 33.948 31.823 0.026 0.000 1.244 310 V HN -0.031 nan 8.190 nan 0.000 0.458 311 P HA 0.572 nan 4.420 nan 0.000 0.271 311 P C -1.146 176.110 177.300 -0.074 0.000 1.216 311 P CA 0.164 63.267 63.100 0.006 0.000 0.776 311 P CB 0.481 32.186 31.700 0.008 0.000 0.881 312 L N 3.146 124.283 121.223 -0.143 0.000 2.491 312 L HA 0.562 4.902 4.340 -0.000 0.000 0.254 312 L C -2.281 174.478 176.870 -0.185 0.000 1.048 312 L CA -1.843 52.854 54.840 -0.239 0.000 0.855 312 L CB 2.307 44.053 42.059 -0.522 0.000 1.466 312 L HN 0.301 nan 8.230 nan 0.000 0.409 313 P HA 0.252 nan 4.420 nan 0.000 0.293 313 P C -1.096 176.155 177.300 -0.083 0.000 1.300 313 P CA -0.332 62.716 63.100 -0.086 0.000 0.792 313 P CB 1.118 32.785 31.700 -0.055 0.000 0.925 314 T N 1.675 116.217 114.554 -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 0.219 62.339 62.100 0.033 0.000 1.119 314 T CB 0.154 69.066 68.868 0.074 0.000 0.891 314 T HN 0.263 nan 8.240 nan 0.000 0.526 315 S N 2.788 118.558 115.700 0.117 0.000 2.530 315 S HA 0.462 4.932 4.470 -0.000 0.000 0.322 315 S C 0.406 175.248 174.600 0.404 0.000 1.085 315 S CA -0.858 57.466 58.200 0.206 0.000 1.096 315 S CB 0.738 64.058 63.200 0.201 0.000 0.988 315 S HN 0.778 nan 8.310 nan 0.000 0.466 316 T N 2.532 117.202 114.554 0.195 0.000 2.882 316 T HA 0.671 5.021 4.350 -0.000 0.000 0.287 316 T C -0.016 174.476 174.700 -0.346 0.000 1.014 316 T CA -0.770 61.346 62.100 0.026 0.000 1.049 316 T CB 1.150 70.016 68.868 -0.003 0.000 1.001 316 T HN 0.627 nan 8.240 nan 0.000 0.525 317 A N 1.720 124.189 122.820 -0.584 0.000 2.330 317 A HA 0.640 4.960 4.320 -0.000 0.000 0.313 317 A C 0.122 177.524 177.584 -0.304 0.000 1.124 317 A CA -0.926 50.685 52.037 -0.709 0.000 0.774 317 A CB 0.757 18.998 19.000 -1.265 0.000 1.198 317 A HN 0.774 nan 8.150 nan 0.000 0.465 318 T N 1.334 115.783 114.554 -0.176 0.000 2.744 318 T HA 0.567 4.917 4.350 -0.000 0.000 0.291 318 T C -0.286 174.379 174.700 -0.058 0.000 0.957 318 T CA -0.463 61.579 62.100 -0.096 0.000 1.002 318 T CB 1.108 69.940 68.868 -0.059 0.000 0.919 318 T HN 0.456 nan 8.240 nan 0.000 0.468 319 V N 2.838 122.710 119.914 -0.070 0.000 2.789 319 V HA 0.538 4.658 4.120 -0.000 0.000 0.311 319 V C -0.042 176.032 176.094 -0.034 0.000 1.073 319 V CA -0.753 61.517 62.300 -0.050 0.000 0.921 319 V CB 2.588 34.336 31.823 -0.125 0.000 1.009 319 V HN 0.995 nan 8.190 nan 0.000 0.426 320 T N 3.945 118.498 114.554 -0.000 0.000 2.770 320 T HA 0.641 4.990 4.350 -0.000 0.000 0.283 320 T C -0.496 174.226 174.700 0.037 0.000 0.988 320 T CA -0.271 61.844 62.100 0.025 0.000 0.957 320 T CB 1.319 70.203 68.868 0.028 0.000 0.930 320 T HN 0.393 nan 8.240 nan 0.000 0.443 321 V N 3.211 123.177 119.914 0.086 0.000 2.715 321 V HA 0.702 4.822 4.120 -0.000 0.000 0.310 321 V C 0.118 176.311 176.094 0.165 0.000 1.054 321 V CA -0.812 61.553 62.300 0.107 0.000 0.928 321 V CB 2.175 34.048 31.823 0.085 0.000 1.007 321 V HN 0.895 nan 8.190 nan 0.000 0.437 322 T N 2.398 117.023 114.554 0.117 0.000 2.879 322 T HA 0.472 4.822 4.350 -0.000 0.000 0.290 322 T C -0.571 174.174 174.700 0.075 0.000 0.993 322 T CA -0.398 61.764 62.100 0.104 0.000 0.975 322 T CB 1.656 70.562 68.868 0.064 0.000 0.981 322 T HN 0.400 nan 8.240 nan 0.000 0.439 323 V N 4.018 123.973 119.914 0.067 0.000 2.368 323 V HA 0.250 4.370 4.120 -0.000 0.000 0.266 323 V C 0.690 176.768 176.094 -0.027 0.000 1.045 323 V CA -0.706 61.582 62.300 -0.020 0.000 0.899 323 V CB 0.376 32.124 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 -0.669 175.900 176.600 -0.052 0.000 1.108 324 E CA -0.326 56.053 56.400 -0.034 0.000 0.916 324 E CB 0.739 30.415 29.700 -0.039 0.000 0.989 324 E HN 0.685 nan 8.360 nan 0.000 0.432 325 D N 0.778 121.157 120.400 -0.036 0.000 2.185 325 D HA 0.333 4.973 4.640 -0.000 0.000 0.247 325 D C -1.675 174.601 176.300 -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 3.643 123.530 119.914 -0.045 0.000 2.769 326 V HA 0.529 4.649 4.120 -0.000 0.000 0.312 326 V C -1.179 174.897 176.094 -0.029 0.000 1.061 326 V CA -0.796 61.476 62.300 -0.046 0.000 0.931 326 V CB 1.980 33.766 31.823 -0.062 0.000 1.010 326 V HN 0.640 nan 8.190 nan 0.000 0.433 327 N N 3.943 122.627 118.700 -0.027 0.000 2.424 327 N HA 0.426 5.166 4.740 -0.000 0.000 0.271 327 N C -0.632 174.867 175.510 -0.018 0.000 0.985 327 N CA -0.284 52.756 53.050 -0.017 0.000 0.921 327 N CB 1.717 40.193 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 0.794 30.503 29.700 0.014 0.000 1.151 328 E HN 0.626 nan 8.360 nan 0.000 0.412 329 A N 2.014 124.830 122.820 -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 -0.727 51.297 52.037 -0.021 0.000 0.768 329 A CB -0.502 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 0.661 nan 4.420 nan 0.000 0.284 330 P C -0.902 176.361 177.300 -0.060 0.000 1.292 330 P CA -0.268 62.762 63.100 -0.117 0.000 0.800 330 P CB 0.496 32.060 31.700 -0.226 0.000 1.188 331 F N -2.924 116.926 119.950 -0.166 0.000 2.615 331 F HA 0.602 5.129 4.527 -0.000 0.000 0.312 331 F C -1.078 174.655 175.800 -0.110 0.000 1.119 331 F CA -1.452 56.418 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 1.567 121.625 119.950 0.179 0.000 2.490 332 F HA 0.388 4.915 4.527 -0.000 0.000 0.336 332 F C 1.537 177.483 175.800 0.244 0.000 1.178 332 F CA -0.556 57.527 58.000 0.138 0.000 1.301 332 F CB 0.144 39.228 39.000 0.139 0.000 1.175 332 F HN 0.491 nan 8.300 nan 0.000 0.593 333 V N -0.733 119.408 119.914 0.380 0.000 2.251 333 V HA -0.034 4.086 4.120 -0.000 0.000 0.230 333 V C -1.320 174.954 176.094 0.301 0.000 1.032 333 V CA 0.462 62.977 62.300 0.358 0.000 0.997 333 V CB -2.179 29.781 31.823 0.228 0.000 0.643 333 V HN 0.596 nan 8.190 nan 0.000 0.462 334 P HA 0.558 nan 4.420 nan 0.000 0.323 334 P C -1.058 176.343 177.300 0.168 0.000 1.309 334 P CA -0.125 63.068 63.100 0.156 0.000 0.739 334 P CB 0.309 32.069 31.700 0.100 0.000 1.454 335 A N -0.173 122.712 122.820 0.109 0.000 2.702 335 A HA 0.492 4.812 4.320 -0.000 0.000 0.305 335 A C -0.800 176.813 177.584 0.049 0.000 1.213 335 A CA -0.571 51.519 52.037 0.089 0.000 0.745 335 A CB 0.006 19.056 19.000 0.084 0.000 1.161 335 A HN 0.211 nan 8.150 nan 0.000 0.445 336 V N 1.340 121.270 119.914 0.027 0.000 2.439 336 V HA 0.305 4.425 4.120 -0.000 0.000 0.271 336 V C 0.937 177.041 176.094 0.016 0.000 1.040 336 V CA -0.000 62.310 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 4.548 120.265 115.700 0.028 0.000 3.158 337 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 337 S C 0.823 175.451 174.600 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 1.930 122.458 120.500 0.046 0.000 2.009 338 R HA 0.261 4.601 4.340 -0.000 0.000 0.206 338 R C 0.030 176.360 176.300 0.051 0.000 1.356 338 R CA 0.651 56.775 56.100 0.041 0.000 1.088 338 R CB -0.144 30.169 30.300 0.022 0.000 0.959 338 R HN 0.477 nan 8.270 nan 0.000 0.469 339 V N 2.528 122.475 119.914 0.055 0.000 2.341 339 V HA 0.167 4.287 4.120 -0.000 0.000 0.248 339 V C -1.208 174.929 176.094 0.072 0.000 1.107 339 V CA -0.378 61.953 62.300 0.052 0.000 1.069 339 V CB 0.323 32.171 31.823 0.042 0.000 1.177 339 V HN 0.174 nan 8.190 nan 0.000 0.492 340 D N 3.707 124.130 120.400 0.039 0.000 2.416 340 D HA 0.304 4.944 4.640 -0.000 0.000 0.240 340 D C -0.151 176.117 176.300 -0.052 0.000 1.250 340 D CA 0.513 54.493 54.000 -0.034 0.000 0.967 340 D CB 1.283 41.988 40.800 -0.159 0.000 1.059 340 D HN 0.500 nan 8.370 nan 0.000 0.512 341 V N 1.808 121.717 119.914 -0.008 0.000 2.628 341 V HA 0.536 4.656 4.120 -0.000 0.000 0.306 341 V C 0.040 176.118 176.094 -0.027 0.000 1.045 341 V CA -0.680 61.608 62.300 -0.019 0.000 0.905 341 V CB 2.015 33.837 31.823 -0.002 0.000 0.997 341 V HN 0.523 nan 8.190 nan 0.000 0.436 342 S N 3.346 119.019 115.700 -0.045 0.000 2.632 342 S HA 0.290 4.760 4.470 -0.000 0.000 0.267 342 S C 0.950 175.509 174.600 -0.068 0.000 1.276 342 S CA 0.388 58.558 58.200 -0.050 0.000 0.998 342 S CB 1.197 64.367 63.200 -0.051 0.000 0.953 342 S HN 0.935 nan 8.310 nan 0.000 0.547 343 E N 0.206 120.362 120.200 -0.073 0.000 2.204 343 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 343 E C 0.922 177.452 176.600 -0.117 0.000 0.990 343 E CA 1.266 57.599 56.400 -0.111 0.000 0.821 343 E CB -0.225 29.421 29.700 -0.090 0.000 0.750 343 E HN 0.871 nan 8.360 nan 0.000 0.477 344 D N -0.080 120.269 120.400 -0.085 0.000 2.371 344 D HA -0.029 4.611 4.640 -0.000 0.000 0.234 344 D C 0.300 176.552 176.300 -0.080 0.000 1.049 344 D CA -0.021 53.933 54.000 -0.077 0.000 0.907 344 D CB -0.050 40.716 40.800 -0.057 0.000 0.891 344 D HN 0.120 nan 8.370 nan 0.000 0.531 345 L N 1.240 122.407 121.223 -0.093 0.000 2.525 345 L HA 0.013 4.353 4.340 -0.000 0.000 0.278 345 L C 0.223 177.042 176.870 -0.085 0.000 1.218 345 L CA -0.216 54.574 54.840 -0.084 0.000 0.878 345 L CB 0.487 42.494 42.059 -0.086 0.000 1.127 345 L HN 0.163 nan 8.230 nan 0.000 0.492 346 S N 4.557 120.219 115.700 -0.063 0.000 2.430 346 S HA 0.131 4.601 4.470 -0.000 0.000 0.282 346 S C 0.297 174.866 174.600 -0.052 0.000 1.186 346 S CA -0.780 57.387 58.200 -0.055 0.000 1.060 346 S CB 0.453 63.628 63.200 -0.041 0.000 0.966 346 S HN 0.635 nan 8.310 nan 0.000 0.501 347 R N 2.878 123.344 120.500 -0.057 0.000 3.501 347 R HA 0.177 4.517 4.340 -0.000 0.000 0.332 347 R C 0.929 177.212 176.300 -0.029 0.000 0.776 347 R CA 1.113 57.185 56.100 -0.046 0.000 1.007 347 R CB -1.333 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 2.844 111.629 108.800 -0.025 0.000 2.441 348 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.139 348 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.139 348 G C -0.925 173.962 174.900 -0.021 0.000 1.067 348 G CA -0.705 44.384 45.100 -0.018 0.000 0.766 348 G HN 0.510 nan 8.290 nan 0.000 0.484 349 E N 0.368 120.554 120.200 -0.023 0.000 2.293 349 E HA 0.310 4.660 4.350 -0.000 0.000 0.270 349 E C 0.065 176.652 176.600 -0.022 0.000 0.879 349 E CA -0.839 55.547 56.400 -0.024 0.000 0.756 349 E CB 1.488 31.170 29.700 -0.030 0.000 1.208 349 E HN 0.344 nan 8.360 nan 0.000 0.428 350 K N 2.903 123.289 120.400 -0.023 0.000 2.430 350 K HA 0.064 4.384 4.320 -0.000 0.000 0.280 350 K C 0.843 177.431 176.600 -0.020 0.000 1.063 350 K CA 0.398 56.671 56.287 -0.024 0.000 1.071 350 K CB 0.513 32.997 32.500 -0.025 0.000 0.899 350 K HN 0.410 nan 8.250 nan 0.000 0.473 351 I N 2.978 123.538 120.570 -0.017 0.000 3.098 351 I HA 0.043 4.213 4.170 -0.000 0.000 0.241 351 I C 0.840 176.950 176.117 -0.013 0.000 1.081 351 I CA 0.273 61.569 61.300 -0.008 0.000 1.487 351 I CB 0.365 38.370 38.000 0.009 0.000 1.366 351 I HN 0.509 nan 8.210 nan 0.000 0.463 352 I N -0.350 120.206 120.570 -0.023 0.000 2.493 352 I HA 0.345 4.515 4.170 -0.000 0.000 0.279 352 I C -0.638 175.445 176.117 -0.058 0.000 1.045 352 I CA -0.675 60.604 61.300 -0.035 0.000 1.106 352 I CB 1.432 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 7.294 122.962 115.700 -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 0.408 63.576 63.200 -0.053 0.000 1.001 353 S HN 0.574 nan 8.310 nan 0.000 0.507 354 L N 1.343 122.499 121.223 -0.112 0.000 2.286 354 L HA 0.987 5.327 4.340 -0.000 0.000 0.265 354 L C -0.316 176.501 176.870 -0.089 0.000 1.012 354 L CA -1.400 53.387 54.840 -0.087 0.000 0.818 354 L CB 0.547 42.542 42.059 -0.105 0.000 1.337 354 L HN 0.471 nan 8.230 nan 0.000 0.438 355 V N -3.114 116.811 119.914 0.018 0.000 3.049 355 V HA 1.061 5.181 4.120 -0.000 0.000 0.309 355 V C -0.406 175.816 176.094 0.213 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 1.982 124.960 122.820 0.263 0.000 2.423 356 A HA 0.924 5.244 4.320 -0.000 0.000 0.304 356 A C -0.880 176.606 177.584 -0.163 0.000 1.104 356 A CA -0.798 51.308 52.037 0.115 0.000 0.757 356 A CB 2.176 21.299 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 -1.743 173.709 176.000 -0.914 0.000 1.089 357 Q CA -0.566 54.806 55.803 -0.718 0.000 0.824 357 Q CB 2.773 31.093 28.738 -0.696 0.000 1.367 357 Q HN 0.834 nan 8.270 nan 0.000 0.443 358 D N 1.986 122.144 120.400 -0.403 0.000 2.649 358 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 358 D C -1.699 174.591 176.300 -0.017 0.000 1.112 358 D CA -1.769 52.122 54.000 -0.182 0.000 0.850 358 D CB 2.229 42.954 40.800 -0.126 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 0.937 64.117 63.100 0.133 0.000 0.938 359 P CB -0.365 31.421 31.700 0.143 0.000 0.777 360 D N 1.583 122.013 120.400 0.049 0.000 2.899 360 D HA -0.057 4.583 4.640 -0.000 0.000 0.254 360 D C 0.670 176.986 176.300 0.027 0.000 1.320 360 D CA 0.543 54.564 54.000 0.035 0.000 0.929 360 D CB -0.494 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 3.025 123.445 120.400 0.034 0.000 2.110 361 K HA -0.032 4.288 4.320 -0.000 0.000 0.260 361 K C 0.151 176.764 176.600 0.021 0.000 1.126 361 K CA 0.123 56.426 56.287 0.026 0.000 1.005 361 K CB 0.235 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 2.683 122.492 119.800 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 -0.296 175.703 176.000 -0.002 0.000 1.225 363 Q CA 1.046 56.848 55.803 -0.003 0.000 1.110 363 Q CB -0.564 28.173 28.738 -0.002 0.000 1.128 363 Q HN 0.466 nan 8.270 nan 0.000 0.440 364 I N 0.872 121.439 120.570 -0.005 0.000 2.816 364 I HA 0.184 4.354 4.170 -0.000 0.000 0.279 364 I C -1.646 174.466 176.117 -0.008 0.000 1.662 364 I CA -0.336 60.961 61.300 -0.004 0.000 0.785 364 I CB 0.725 38.725 38.000 -0.001 0.000 1.738 364 I HN 0.329 nan 8.210 nan 0.000 0.561 365 Q N 2.054 121.846 119.800 -0.013 0.000 2.418 365 Q HA 0.547 4.887 4.340 -0.000 0.000 0.240 365 Q C -1.423 174.560 176.000 -0.029 0.000 0.859 365 Q CA -0.885 54.905 55.803 -0.021 0.000 0.916 365 Q CB 1.440 30.163 28.738 -0.026 0.000 1.448 365 Q HN 0.469 nan 8.270 nan 0.000 0.439 366 K N 2.085 122.470 120.400 -0.025 0.000 2.288 366 K HA 0.786 5.106 4.320 -0.000 0.000 0.234 366 K C -0.879 175.687 176.600 -0.058 0.000 1.037 366 K CA -0.800 55.465 56.287 -0.036 0.000 0.914 366 K CB 1.037 33.531 32.500 -0.010 0.000 1.197 366 K HN 0.644 nan 8.250 nan 0.000 0.471 367 L N -1.887 119.275 121.223 -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 43.707 42.059 -0.258 0.000 1.419 367 L HN 0.577 nan 8.230 nan 0.000 0.435 368 S N -1.524 114.130 115.700 -0.077 0.000 2.532 368 S HA 0.693 5.163 4.470 -0.000 0.000 0.299 368 S C -1.291 173.424 174.600 0.192 0.000 1.105 368 S CA -0.546 57.717 58.200 0.106 0.000 1.018 368 S CB 0.616 64.053 63.200 0.395 0.000 1.021 368 S HN 0.455 nan 8.310 nan 0.000 0.483 369 Y N 2.045 122.491 120.300 0.244 0.000 2.365 369 Y HA 0.582 5.132 4.550 -0.000 0.000 0.340 369 Y C -0.428 175.598 175.900 0.210 0.000 1.016 369 Y CA -0.740 57.528 58.100 0.279 0.000 1.196 369 Y CB 0.283 38.837 38.460 0.156 0.000 1.167 369 Y HN 0.586 nan 8.280 nan 0.000 0.509 370 F N 2.889 122.968 119.950 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 56.776 58.000 0.140 0.000 0.928 370 F CB 0.983 40.036 39.000 0.089 0.000 1.189 370 F HN 0.218 nan 8.300 nan 0.000 0.465 371 I N 0.349 121.069 120.570 0.250 0.000 3.514 371 I HA 0.704 4.874 4.170 -0.000 0.000 0.300 371 I C 1.077 177.287 176.117 0.156 0.000 1.194 371 I CA -0.305 61.091 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 0.507 109.362 108.800 0.091 0.000 4.120 372 G HA2 0.014 3.974 3.960 -0.000 0.000 0.195 372 G HA3 0.014 3.974 3.960 -0.000 0.000 0.195 372 G C 0.415 175.327 174.900 0.019 0.000 1.420 372 G CA -0.202 44.940 45.100 0.069 0.000 0.981 372 G HN 0.530 nan 8.290 nan 0.000 0.496 373 N N 0.974 119.672 118.700 -0.003 0.000 2.229 373 N HA 0.233 4.973 4.740 -0.000 0.000 0.242 373 N C -0.046 175.416 175.510 -0.079 0.000 1.327 373 N CA 1.020 54.044 53.050 -0.044 0.000 0.896 373 N CB 0.414 38.860 38.487 -0.069 0.000 1.129 373 N HN 0.402 nan 8.380 nan 0.000 0.490 374 D N -2.127 118.204 120.400 -0.115 0.000 2.738 374 D HA 0.147 4.787 4.640 -0.000 0.000 0.345 374 D C -2.367 173.819 176.300 -0.189 0.000 1.465 374 D CA -0.376 53.541 54.000 -0.138 0.000 0.935 374 D CB -1.178 39.569 40.800 -0.089 0.000 1.543 374 D HN 0.287 nan 8.370 nan 0.000 0.399 375 P HA 0.171 nan 4.420 nan 0.000 0.271 375 P C 0.124 177.099 177.300 -0.541 0.000 1.212 375 P CA 0.323 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 2.327 124.781 122.820 -0.610 0.000 2.587 376 A HA -0.071 4.249 4.320 -0.000 0.000 0.235 376 A C 0.664 177.815 177.584 -0.722 0.000 1.044 376 A CA 0.023 51.762 52.037 -0.497 0.000 0.754 376 A CB -0.467 18.414 19.000 -0.199 0.000 0.968 376 A HN 0.627 nan 8.150 nan 0.000 0.509 377 R N 1.745 122.045 120.500 -0.334 0.000 4.237 377 R HA -0.168 4.172 4.340 -0.000 0.000 0.171 377 R C -0.300 176.050 176.300 0.084 0.000 0.417 377 R CA 1.031 57.049 56.100 -0.137 0.000 0.895 377 R CB -0.222 30.071 30.300 -0.012 0.000 1.009 377 R HN 0.834 nan 8.270 nan 0.000 0.271 378 W N 4.066 125.342 121.300 -0.040 0.000 4.409 378 W HA 0.118 4.778 4.660 -0.000 0.000 0.188 378 W C 0.507 177.009 176.519 -0.029 0.000 2.080 378 W CA -0.153 57.162 57.345 -0.049 0.000 2.369 378 W CB -1.218 28.193 29.460 -0.082 0.000 1.412 378 W HN 0.360 nan 8.180 nan 0.000 0.720 379 L N 1.895 123.303 121.223 0.309 0.000 2.516 379 L HA 0.470 4.810 4.340 -0.000 0.000 0.288 379 L C -0.033 176.888 176.870 0.084 0.000 1.246 379 L CA 0.839 55.778 54.840 0.164 0.000 0.844 379 L CB -0.460 41.693 42.059 0.158 0.000 1.106 379 L HN -0.152 nan 8.230 nan 0.000 0.509 380 T N 0.605 115.188 114.554 0.049 0.000 3.012 380 T HA 0.505 4.855 4.350 -0.000 0.000 0.330 380 T C -0.642 174.055 174.700 -0.006 0.000 1.321 380 T CA -0.648 61.463 62.100 0.019 0.000 1.067 380 T CB 1.907 70.784 68.868 0.014 0.000 1.235 380 T HN 0.716 nan 8.240 nan 0.000 0.479 381 V N 1.084 120.988 119.914 -0.017 0.000 2.547 381 V HA 0.723 4.843 4.120 -0.000 0.000 0.299 381 V C 0.070 176.134 176.094 -0.050 0.000 1.040 381 V CA -0.936 61.343 62.300 -0.036 0.000 0.913 381 V CB 1.752 33.566 31.823 -0.016 0.000 0.992 381 V HN 0.875 nan 8.190 nan 0.000 0.449 382 N N 3.396 122.059 118.700 -0.062 0.000 2.414 382 N HA 0.277 5.017 4.740 -0.000 0.000 0.256 382 N C 0.543 176.036 175.510 -0.028 0.000 1.029 382 N CA -0.370 52.648 53.050 -0.053 0.000 0.948 382 N CB 1.615 40.065 38.487 -0.060 0.000 1.102 382 N HN 0.818 nan 8.380 nan 0.000 0.496 383 K N 1.745 122.133 120.400 -0.018 0.000 2.217 383 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 383 K C -0.056 176.701 176.600 0.263 0.000 1.051 383 K CA 0.952 57.273 56.287 0.055 0.000 0.952 383 K CB 0.361 32.749 32.500 -0.187 0.000 0.736 383 K HN 0.588 nan 8.250 nan 0.000 0.453 384 D N -0.136 120.356 120.400 0.154 0.000 2.358 384 D HA 0.009 4.649 4.640 -0.000 0.000 0.224 384 D C 0.228 176.640 176.300 0.187 0.000 1.123 384 D CA 0.326 54.438 54.000 0.186 0.000 0.833 384 D CB 0.181 41.032 40.800 0.085 0.000 0.946 384 D HN 0.261 nan 8.370 nan 0.000 0.505 385 N N -0.132 118.629 118.700 0.101 0.000 1.958 385 N HA 0.050 4.790 4.740 -0.000 0.000 0.223 385 N C 0.285 175.545 175.510 -0.416 0.000 1.395 385 N CA 0.002 53.009 53.050 -0.072 0.000 0.737 385 N CB 0.816 39.273 38.487 -0.049 0.000 1.155 385 N HN 0.013 nan 8.380 nan 0.000 0.529 386 G N 2.457 110.741 108.800 -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 -1.097 0.000 1.289 386 G HN 0.383 nan 8.290 nan 0.000 0.403 387 I N 0.677 121.091 120.570 -0.260 0.000 2.439 387 I HA 0.297 4.467 4.170 -0.000 0.000 0.285 387 I C 0.147 176.200 176.117 -0.107 0.000 1.021 387 I CA -1.157 60.049 61.300 -0.157 0.000 1.091 387 I CB 2.128 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 0.335 4.455 4.120 -0.000 0.000 0.270 388 V C 0.665 176.742 176.094 -0.029 0.000 1.037 388 V CA -0.339 61.930 62.300 -0.053 0.000 0.872 388 V CB 0.976 32.768 31.823 -0.051 0.000 1.002 388 V HN 0.889 nan 8.190 nan 0.000 0.464 389 T N 1.649 116.194 114.554 -0.016 0.000 2.937 389 T HA 0.758 5.108 4.350 -0.000 0.000 0.283 389 T C 0.213 174.922 174.700 0.014 0.000 1.012 389 T CA -0.412 61.683 62.100 -0.008 0.000 0.997 389 T CB 2.004 70.864 68.868 -0.013 0.000 1.136 389 T HN 0.811 nan 8.240 nan 0.000 0.551 390 G N 0.869 109.674 108.800 0.008 0.000 2.744 390 G HA2 0.492 4.452 3.960 -0.000 0.000 0.309 390 G HA3 0.492 4.452 3.960 -0.000 0.000 0.309 390 G C -0.744 174.157 174.900 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 0.764 119.483 118.700 0.032 0.000 2.482 391 N HA 0.717 5.457 4.740 -0.000 0.000 0.279 391 N C 0.575 176.086 175.510 0.003 0.000 1.182 391 N CA 0.210 53.270 53.050 0.017 0.000 0.969 391 N CB 1.750 40.261 38.487 0.040 0.000 1.201 391 N HN 0.861 nan 8.380 nan 0.000 0.523 392 G N 0.539 109.322 108.800 -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 -1.026 173.749 174.900 -0.207 0.000 1.344 392 G CA -0.818 44.234 45.100 -0.080 0.000 0.855 392 G HN 0.738 nan 8.290 nan 0.000 0.537 393 N N -0.780 117.778 118.700 -0.237 0.000 2.419 393 N HA 0.687 5.427 4.740 -0.000 0.000 0.277 393 N C 0.010 175.220 175.510 -0.500 0.000 1.006 393 N CA -0.728 52.161 53.050 -0.268 0.000 0.923 393 N CB 0.719 39.123 38.487 -0.138 0.000 1.140 393 N HN 0.584 nan 8.380 nan 0.000 0.488 394 L N 1.685 122.578 121.223 -0.550 0.000 2.260 394 L HA 0.644 4.984 4.340 -0.000 0.000 0.265 394 L C -0.679 175.972 176.870 -0.365 0.000 1.015 394 L CA -0.583 53.799 54.840 -0.764 0.000 0.826 394 L CB 1.516 43.056 42.059 -0.865 0.000 1.373 394 L HN 0.550 nan 8.230 nan 0.000 0.450 395 D N -1.540 118.696 120.400 -0.275 0.000 2.266 395 D HA 0.184 4.824 4.640 -0.000 0.000 0.218 395 D C 0.411 176.682 176.300 -0.048 0.000 1.311 395 D CA -0.320 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 1.466 121.944 120.500 -0.037 0.000 2.133 396 R HA -0.214 4.126 4.340 -0.000 0.000 0.247 396 R C 0.935 177.262 176.300 0.046 0.000 1.151 396 R CA 1.621 57.733 56.100 0.021 0.000 0.971 396 R CB 0.227 30.544 30.300 0.027 0.000 0.866 396 R HN 0.280 nan 8.270 nan 0.000 0.447 397 E N -0.679 119.538 120.200 0.029 0.000 2.333 397 E HA -0.132 4.218 4.350 -0.000 0.000 0.200 397 E C 1.268 177.898 176.600 0.051 0.000 1.010 397 E CA 1.355 57.777 56.400 0.037 0.000 0.841 397 E CB 0.094 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 -2.499 113.245 115.700 0.073 0.000 2.597 398 S HA 0.087 4.557 4.470 -0.000 0.000 0.275 398 S C 1.279 175.923 174.600 0.073 0.000 1.040 398 S CA 0.258 58.501 58.200 0.072 0.000 1.187 398 S CB 0.112 63.340 63.200 0.047 0.000 0.988 398 S HN 0.215 nan 8.310 nan 0.000 0.490 399 E N -0.825 119.445 120.200 0.118 0.000 2.357 399 E HA 0.212 4.562 4.350 -0.000 0.000 0.202 399 E C 1.079 177.663 176.600 -0.027 0.000 0.855 399 E CA 0.122 56.522 56.400 -0.000 0.000 1.048 399 E CB -0.180 29.447 29.700 -0.121 0.000 1.037 399 E HN 0.489 nan 8.360 nan 0.000 0.499 400 Y N 1.069 121.439 120.300 0.116 0.000 2.231 400 Y HA 0.115 4.665 4.550 -0.000 0.000 0.294 400 Y C 0.800 176.799 175.900 0.165 0.000 1.120 400 Y CA 0.389 58.575 58.100 0.144 0.000 1.141 400 Y CB 0.097 38.683 38.460 0.211 0.000 1.022 400 Y HN -0.163 nan 8.280 nan 0.000 0.523 401 V N 2.937 123.077 119.914 0.377 0.000 2.583 401 V HA -0.191 3.929 4.120 -0.000 0.000 0.302 401 V C 0.565 176.761 176.094 0.169 0.000 1.033 401 V CA 0.547 63.012 62.300 0.275 0.000 1.194 401 V CB 0.077 32.031 31.823 0.219 0.000 0.879 401 V HN 0.369 nan 8.190 nan 0.000 0.482 402 K N 3.436 123.919 120.400 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 -0.386 55.950 56.287 0.082 0.000 1.162 402 K CB -0.033 32.508 32.500 0.067 0.000 1.585 402 K HN 0.596 nan 8.250 nan 0.000 0.466 403 N N 1.312 120.036 118.700 0.041 0.000 2.328 403 N HA -0.065 4.675 4.740 -0.000 0.000 0.277 403 N C 0.322 175.846 175.510 0.023 0.000 1.286 403 N CA 0.282 53.345 53.050 0.021 0.000 0.949 403 N CB 0.136 38.624 38.487 0.001 0.000 1.136 403 N HN 0.131 nan 8.380 nan 0.000 0.550 404 N N -1.279 117.415 118.700 -0.009 0.000 2.760 404 N HA -0.120 4.620 4.740 -0.000 0.000 0.200 404 N C 0.049 175.545 175.510 -0.024 0.000 1.306 404 N CA 0.412 53.449 53.050 -0.022 0.000 0.957 404 N CB -0.062 38.359 38.487 -0.110 0.000 1.041 404 N HN 0.531 nan 8.380 nan 0.000 0.448 405 T N -1.829 112.737 114.554 0.020 0.000 2.810 405 T HA 0.221 4.571 4.350 -0.000 0.000 0.277 405 T C -0.971 173.867 174.700 0.230 0.000 0.973 405 T CA -0.323 61.819 62.100 0.071 0.000 0.949 405 T CB 0.816 69.701 68.868 0.028 0.000 1.075 405 T HN 0.140 nan 8.240 nan 0.000 0.537 406 Y N 0.711 121.046 120.300 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 -0.749 57.394 58.100 0.071 0.000 1.257 406 Y CB 0.653 39.209 38.460 0.161 0.000 1.272 406 Y HN 1.009 nan 8.280 nan 0.000 0.394 407 T N 3.117 117.366 114.554 -0.508 0.000 2.823 407 T HA 0.881 5.231 4.350 -0.000 0.000 0.279 407 T C -0.862 173.532 174.700 -0.510 0.000 0.998 407 T CA -0.847 61.041 62.100 -0.353 0.000 0.994 407 T CB 2.134 70.877 68.868 -0.208 0.000 0.960 407 T HN 0.343 nan 8.240 nan 0.000 0.448 408 V N 2.983 122.714 119.914 -0.305 0.000 2.888 408 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 408 V C -0.636 175.386 176.094 -0.121 0.000 1.114 408 V CA -1.019 61.135 62.300 -0.245 0.000 0.940 408 V CB 2.001 33.710 31.823 -0.189 0.000 1.021 408 V HN 0.908 nan 8.190 nan 0.000 0.426 409 I N 4.042 124.564 120.570 -0.080 0.000 2.693 409 I HA 0.689 4.859 4.170 -0.000 0.000 0.303 409 I C -0.268 175.862 176.117 0.021 0.000 1.025 409 I CA -0.559 60.733 61.300 -0.014 0.000 1.086 409 I CB 1.998 40.006 38.000 0.013 0.000 1.268 409 I HN 0.466 nan 8.210 nan 0.000 0.440 410 M N 4.443 124.091 119.600 0.080 0.000 2.704 410 M HA 0.641 5.121 4.480 -0.000 0.000 0.284 410 M C -1.243 175.326 176.300 0.447 0.000 1.275 410 M CA -0.781 54.611 55.300 0.154 0.000 0.811 410 M CB 2.637 35.238 32.600 0.000 0.000 1.741 410 M HN 0.369 nan 8.290 nan 0.000 0.458 411 L N 0.400 121.918 121.223 0.491 0.000 2.257 411 L HA 0.952 5.292 4.340 -0.000 0.000 0.257 411 L C -1.204 175.958 176.870 0.487 0.000 1.033 411 L CA -1.132 53.985 54.840 0.461 0.000 0.835 411 L CB 2.555 44.717 42.059 0.171 0.000 1.398 411 L HN 0.539 nan 8.230 nan 0.000 0.429 412 V N -0.404 119.566 119.914 0.094 0.000 3.000 412 V HA 0.521 4.641 4.120 -0.000 0.000 0.300 412 V C -1.317 174.677 176.094 -0.167 0.000 1.251 412 V CA -0.080 62.212 62.300 -0.014 0.000 0.972 412 V CB 2.386 34.116 31.823 -0.155 0.000 1.065 412 V HN 0.785 nan 8.190 nan 0.000 0.431 413 T N 3.157 117.610 114.554 -0.168 0.000 2.824 413 T HA 0.438 4.788 4.350 -0.000 0.000 0.282 413 T C -1.094 173.513 174.700 -0.155 0.000 0.993 413 T CA -0.314 61.674 62.100 -0.187 0.000 0.967 413 T CB 1.229 69.947 68.868 -0.251 0.000 0.960 413 T HN 0.981 nan 8.240 nan 0.000 0.441 414 D N 4.106 124.424 120.400 -0.137 0.000 2.374 414 D HA 0.249 4.889 4.640 -0.000 0.000 0.240 414 D C 0.025 176.277 176.300 -0.081 0.000 1.229 414 D CA 0.093 54.029 54.000 -0.106 0.000 0.895 414 D CB 0.366 41.112 40.800 -0.090 0.000 1.046 414 D HN 0.528 nan 8.370 nan 0.000 0.498 415 D N 1.807 122.168 120.400 -0.066 0.000 2.723 415 D HA 0.534 5.174 4.640 -0.000 0.000 0.247 415 D C 1.068 177.348 176.300 -0.034 0.000 1.134 415 D CA -0.009 53.965 54.000 -0.043 0.000 1.099 415 D CB 1.490 42.274 40.800 -0.026 0.000 1.287 415 D HN 0.501 nan 8.370 nan 0.000 0.634 416 G N -1.005 107.783 108.800 -0.021 0.000 2.527 416 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 416 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 416 G C 0.869 175.760 174.900 -0.016 0.000 1.177 416 G CA 1.219 46.309 45.100 -0.016 0.000 0.695 416 G HN 1.183 nan 8.290 nan 0.000 0.517 417 V N -4.478 115.423 119.914 -0.021 0.000 3.309 417 V HA 0.728 4.848 4.120 -0.000 0.000 0.268 417 V C 0.936 177.016 176.094 -0.024 0.000 1.631 417 V CA 1.535 63.823 62.300 -0.020 0.000 1.018 417 V CB 0.421 32.233 31.823 -0.017 0.000 0.841 417 V HN 1.222 nan 8.190 nan 0.000 0.418 418 S N -1.160 114.521 115.700 -0.031 0.000 5.830 418 S HA 0.642 5.112 4.470 -0.000 0.000 0.119 418 S C -0.488 174.085 174.600 -0.044 0.000 1.116 418 S CA 0.897 59.077 58.200 -0.035 0.000 1.371 418 S CB 1.262 64.442 63.200 -0.034 0.000 2.079 418 S HN 0.405 nan 8.310 nan 0.000 0.649 419 V N 0.026 119.909 119.914 -0.051 0.000 3.242 419 V HA 0.765 4.885 4.120 -0.000 0.000 0.298 419 V C -0.669 175.382 176.094 -0.072 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 0.627 109.372 108.800 -0.091 0.000 2.404 420 G HA2 0.565 4.525 3.960 -0.000 0.000 0.298 420 G HA3 0.565 4.525 3.960 -0.000 0.000 0.298 420 G C -1.331 173.493 174.900 -0.126 0.000 1.577 420 G CA -0.145 44.895 45.100 -0.099 0.000 0.847 420 G HN 0.695 nan 8.290 nan 0.000 0.598 421 T N -0.442 114.041 114.554 -0.118 0.000 2.916 421 T HA 0.767 5.117 4.350 -0.000 0.000 0.305 421 T C -0.103 174.506 174.700 -0.152 0.000 1.119 421 T CA -0.014 62.006 62.100 -0.134 0.000 1.008 421 T CB 2.154 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 1.696 110.368 108.800 -0.213 0.000 2.845 422 G HA2 0.506 4.466 3.960 -0.000 0.000 0.282 422 G HA3 0.506 4.466 3.960 -0.000 0.000 0.282 422 G C -0.506 174.218 174.900 -0.294 0.000 1.546 422 G CA -0.626 44.269 45.100 -0.341 0.000 1.089 422 G HN 0.647 nan 8.290 nan 0.000 0.558 423 T N 1.075 115.581 114.554 -0.080 0.000 2.727 423 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 423 T C 0.491 175.326 174.700 0.225 0.000 0.942 423 T CA -0.326 61.831 62.100 0.095 0.000 0.997 423 T CB 1.766 70.671 68.868 0.062 0.000 0.917 423 T HN 0.678 nan 8.240 nan 0.000 0.487 424 G N 2.499 111.631 108.800 0.554 0.000 2.609 424 G HA2 0.559 4.519 3.960 -0.000 0.000 0.308 424 G HA3 0.559 4.519 3.960 -0.000 0.000 0.308 424 G C -0.221 174.811 174.900 0.220 0.000 1.369 424 G CA -0.751 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 2.210 116.836 114.554 0.119 0.000 2.882 425 T HA 0.571 4.921 4.350 -0.000 0.000 0.287 425 T C -0.242 174.452 174.700 -0.010 0.000 1.014 425 T CA -0.500 61.618 62.100 0.031 0.000 1.049 425 T CB 1.626 70.507 68.868 0.021 0.000 1.001 425 T HN 0.453 nan 8.240 nan 0.000 0.525 426 L N 3.262 124.459 121.223 -0.043 0.000 2.541 426 L HA 0.555 4.895 4.340 -0.000 0.000 0.266 426 L C -1.291 175.553 176.870 -0.042 0.000 0.966 426 L CA -0.709 54.102 54.840 -0.048 0.000 0.871 426 L CB 1.110 43.123 42.059 -0.077 0.000 1.232 426 L HN 0.830 nan 8.230 nan 0.000 0.408 427 I N 6.994 127.555 120.570 -0.015 0.000 2.359 427 I HA 0.455 4.625 4.170 -0.000 0.000 0.294 427 I C -1.132 175.013 176.117 0.047 0.000 0.987 427 I CA -0.782 60.517 61.300 -0.002 0.000 1.225 427 I CB 1.474 39.471 38.000 -0.005 0.000 1.366 427 I HN 0.715 nan 8.210 nan 0.000 0.466 428 L N 6.008 127.290 121.223 0.097 0.000 2.376 428 L HA 0.505 4.845 4.340 -0.000 0.000 0.275 428 L C -0.847 176.139 176.870 0.194 0.000 0.987 428 L CA -0.760 54.167 54.840 0.145 0.000 0.828 428 L CB 1.449 43.610 42.059 0.169 0.000 1.249 428 L HN 0.609 nan 8.230 nan 0.000 0.409 429 H N 4.149 123.265 119.070 0.075 0.000 3.145 429 H HA 0.275 4.831 4.556 -0.000 0.000 0.263 429 H C -0.555 174.813 175.328 0.065 0.000 1.057 429 H CA 0.214 56.303 56.048 0.068 0.000 1.477 429 H CB 0.842 30.631 29.762 0.044 0.000 1.529 429 H HN 0.581 nan 8.280 nan 0.000 0.508 430 V N 6.606 126.747 119.914 0.379 0.000 3.083 430 V HA 0.208 4.328 4.120 -0.000 0.000 0.306 430 V C 0.847 177.087 176.094 0.244 0.000 1.077 430 V CA -0.556 61.881 62.300 0.228 0.000 1.073 430 V CB 1.495 33.411 31.823 0.156 0.000 1.081 430 V HN 0.597 nan 8.190 nan 0.000 0.474 431 L N 0.852 122.126 121.223 0.086 0.000 2.283 431 L HA 0.583 4.923 4.340 -0.000 0.000 0.259 431 L C -0.982 175.902 176.870 0.023 0.000 1.027 431 L CA -0.683 54.180 54.840 0.038 0.000 0.828 431 L CB 2.372 44.407 42.059 -0.041 0.000 1.380 431 L HN 0.622 nan 8.230 nan 0.000 0.425 432 D N 0.131 120.542 120.400 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 -0.160 175.930 176.094 -0.007 0.000 1.084 433 V CA -1.246 61.045 62.300 -0.015 0.000 0.963 433 V CB 1.754 33.562 31.823 -0.025 0.000 1.025 433 V HN 0.538 nan 8.190 nan 0.000 0.432 434 N N 1.300 119.995 118.700 -0.008 0.000 2.602 434 N HA 0.260 5.000 4.740 -0.000 0.000 0.238 434 N C 0.094 175.603 175.510 -0.003 0.000 1.084 434 N CA -0.120 52.929 53.050 -0.002 0.000 0.952 434 N CB 0.559 39.043 38.487 -0.005 0.000 1.244 434 N HN 0.764 nan 8.380 nan 0.000 0.512 435 D N 1.227 121.627 120.400 -0.000 0.000 2.119 435 D HA -0.012 4.628 4.640 -0.000 0.000 0.231 435 D C 0.178 176.481 176.300 0.006 0.000 0.999 435 D CA 0.837 54.836 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 -0.205 118.502 118.700 0.013 0.000 2.207 436 N HA 0.373 5.113 4.740 -0.000 0.000 0.223 436 N C 0.184 175.712 175.510 0.030 0.000 1.339 436 N CA 0.373 53.436 53.050 0.021 0.000 0.889 436 N CB 0.214 38.716 38.487 0.025 0.000 1.128 436 N HN 0.305 nan 8.380 nan 0.000 0.456 437 G N -1.940 106.885 108.800 0.041 0.000 2.642 437 G HA2 0.531 4.491 3.960 -0.000 0.000 0.293 437 G HA3 0.531 4.491 3.960 -0.000 0.000 0.293 437 G C -2.927 172.027 174.900 0.090 0.000 1.341 437 G CA -1.370 43.766 45.100 0.061 0.000 0.916 437 G HN 0.421 nan 8.290 nan 0.000 0.474 438 P HA 0.159 nan 4.420 nan 0.000 0.266 438 P C -0.598 176.748 177.300 0.077 0.000 1.180 438 P CA 0.162 63.374 63.100 0.187 0.000 0.765 438 P CB 0.988 32.921 31.700 0.389 0.000 0.806 439 V N 3.475 123.403 119.914 0.025 0.000 2.891 439 V HA 0.287 4.407 4.120 -0.000 0.000 0.304 439 V C -2.537 173.536 176.094 -0.035 0.000 1.171 439 V CA -1.920 60.378 62.300 -0.002 0.000 0.943 439 V CB 2.311 34.136 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 0.693 177.977 177.300 -0.025 0.000 1.216 440 P CA 0.083 63.161 63.100 -0.036 0.000 0.771 440 P CB 0.875 32.563 31.700 -0.020 0.000 0.864 441 S N 4.544 120.229 115.700 -0.026 0.000 2.343 441 S HA 0.025 4.495 4.470 -0.000 0.000 0.212 441 S C -1.290 173.311 174.600 0.001 0.000 1.033 441 S CA 0.659 58.849 58.200 -0.017 0.000 1.004 441 S CB -2.426 60.759 63.200 -0.026 0.000 0.977 441 S HN 0.438 nan 8.310 nan 0.000 0.427 442 P HA 0.467 nan 4.420 nan 0.000 0.284 442 P C -0.467 176.873 177.300 0.067 0.000 1.253 442 P CA -0.489 62.646 63.100 0.058 0.000 0.800 442 P CB 1.041 32.798 31.700 0.095 0.000 0.961 443 R N 0.564 121.059 120.500 -0.009 0.000 2.365 443 R HA 0.288 4.628 4.340 -0.000 0.000 0.223 443 R C -0.317 175.831 176.300 -0.254 0.000 0.899 443 R CA 0.105 56.138 56.100 -0.113 0.000 1.059 443 R CB 0.628 30.863 30.300 -0.107 0.000 1.086 443 R HN 0.280 nan 8.270 nan 0.000 0.522 444 V N 1.242 121.056 119.914 -0.168 0.000 2.668 444 V HA 0.367 4.487 4.120 -0.000 0.000 0.304 444 V C -0.542 175.552 176.094 0.000 0.000 1.071 444 V CA -0.910 61.235 62.300 -0.259 0.000 0.894 444 V CB 1.837 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 1.255 121.134 119.950 -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 -0.940 57.004 58.000 -0.094 0.000 1.080 445 F CB 1.679 40.613 39.000 -0.109 0.000 1.399 445 F HN 0.310 nan 8.300 nan 0.000 0.492 446 T N 1.778 116.456 114.554 0.207 0.000 3.233 446 T HA 0.230 4.580 4.350 -0.000 0.000 0.324 446 T C -0.392 174.366 174.700 0.098 0.000 0.992 446 T CA -0.535 61.626 62.100 0.102 0.000 1.414 446 T CB 0.311 69.216 68.868 0.061 0.000 0.935 446 T HN 0.307 nan 8.240 nan 0.000 0.544 447 M N 1.137 120.813 119.600 0.125 0.000 2.197 447 M HA 0.453 4.933 4.480 -0.000 0.000 0.305 447 M C 0.389 176.743 176.300 0.089 0.000 1.162 447 M CA -0.283 55.087 55.300 0.116 0.000 1.099 447 M CB 1.000 33.713 32.600 0.188 0.000 1.430 447 M HN 0.542 nan 8.290 nan 0.000 0.481 448 c N 0.256 118.901 118.600 0.075 0.000 2.451 448 c HA 0.285 4.855 4.570 -0.000 0.000 0.391 448 c C 1.451 175.580 174.090 0.065 0.000 1.286 448 c CA -0.322 56.043 56.329 0.059 0.000 1.935 448 c CB 1.550 44.083 42.510 0.038 0.000 2.188 448 c HN 0.907 nan 8.230 nan 0.000 0.523 449 D N -0.501 119.928 120.400 0.049 0.000 2.306 449 D HA -0.043 4.597 4.640 -0.000 0.000 0.239 449 D C 1.856 178.172 176.300 0.028 0.000 1.105 449 D CA 1.228 55.254 54.000 0.043 0.000 0.950 449 D CB -0.225 40.597 40.800 0.035 0.000 1.036 449 D HN 0.523 nan 8.370 nan 0.000 0.428 450 Q N -0.024 119.787 119.800 0.019 0.000 2.047 450 Q HA -0.164 4.176 4.340 -0.000 0.000 0.211 450 Q C 0.223 176.229 176.000 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 0.336 nan 8.270 nan 0.000 0.414 451 N N -0.421 118.287 118.700 0.013 0.000 2.751 451 N HA 0.224 4.964 4.740 -0.000 0.000 0.234 451 N C -2.853 172.667 175.510 0.016 0.000 1.403 451 N CA -0.827 52.230 53.050 0.011 0.000 0.747 451 N CB 1.611 40.101 38.487 0.005 0.000 1.326 451 N HN -0.045 nan 8.380 nan 0.000 0.532 452 P HA -0.023 nan 4.420 nan 0.000 0.265 452 P C -0.237 177.075 177.300 0.020 0.000 1.193 452 P CA 0.128 63.248 63.100 0.033 0.000 0.765 452 P CB 0.489 32.228 31.700 0.065 0.000 0.823 453 E N 4.275 124.478 120.200 0.005 0.000 2.318 453 E HA 0.435 4.785 4.350 -0.000 0.000 0.265 453 E C -2.318 174.268 176.600 -0.022 0.000 1.069 453 E CA -2.573 53.822 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 -0.139 nan 4.420 nan 0.000 0.261 454 P C -1.082 176.149 177.300 -0.114 0.000 1.158 454 P CA 0.459 63.530 63.100 -0.048 0.000 0.758 454 P CB 0.295 31.971 31.700 -0.039 0.000 0.763 455 Q N 3.618 123.301 119.800 -0.195 0.000 2.377 455 Q HA 0.241 4.581 4.340 -0.000 0.000 0.249 455 Q C -0.867 174.928 176.000 -0.342 0.000 1.005 455 Q CA -0.381 55.187 55.803 -0.392 0.000 0.912 455 Q CB 0.060 28.300 28.738 -0.831 0.000 1.223 455 Q HN 0.179 nan 8.270 nan 0.000 0.459 456 V N 5.322 125.095 119.914 -0.236 0.000 2.655 456 V HA 0.214 4.334 4.120 -0.000 0.000 0.300 456 V C 0.074 176.063 176.094 -0.175 0.000 1.044 456 V CA -0.132 62.069 62.300 -0.165 0.000 1.095 456 V CB 0.406 32.163 31.823 -0.110 0.000 0.952 456 V HN 0.750 nan 8.190 nan 0.000 0.485 457 L N 4.443 125.590 121.223 -0.127 0.000 2.465 457 L HA 0.852 5.192 4.340 -0.000 0.000 0.257 457 L C -0.052 176.769 176.870 -0.082 0.000 0.988 457 L CA 0.112 54.901 54.840 -0.084 0.000 0.827 457 L CB 2.720 44.742 42.059 -0.062 0.000 1.397 457 L HN 0.919 nan 8.230 nan 0.000 0.410 458 T N 0.004 114.512 114.554 -0.077 0.000 2.742 458 T HA 0.809 5.159 4.350 -0.000 0.000 0.282 458 T C -0.887 173.732 174.700 -0.136 0.000 1.025 458 T CA -0.675 61.361 62.100 -0.108 0.000 1.020 458 T CB 1.419 70.233 68.868 -0.089 0.000 1.317 458 T HN 0.324 nan 8.240 nan 0.000 0.538 459 I N 1.463 121.916 120.570 -0.194 0.000 2.689 459 I HA 0.670 4.840 4.170 -0.000 0.000 0.299 459 I C -0.408 175.618 176.117 -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 2.539 118.198 115.700 -0.069 0.000 2.548 460 S HA 0.665 5.135 4.470 -0.000 0.000 0.276 460 S C -1.551 173.084 174.600 0.058 0.000 1.129 460 S CA -0.873 57.329 58.200 0.003 0.000 0.931 460 S CB 2.118 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 1.035 121.489 120.400 0.089 0.000 2.481 461 D HA 0.611 5.251 4.640 -0.000 0.000 0.244 461 D C 0.620 176.957 176.300 0.062 0.000 1.057 461 D CA -0.592 53.465 54.000 0.095 0.000 0.848 461 D CB 2.248 43.128 40.800 0.133 0.000 1.388 461 D HN 0.659 nan 8.370 nan 0.000 0.475 462 A N 2.946 125.796 122.820 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 0.448 52.508 52.037 0.038 0.000 0.782 462 A CB 0.155 19.174 19.000 0.030 0.000 0.816 462 A HN 0.457 nan 8.150 nan 0.000 0.477 463 D N -0.679 119.746 120.400 0.042 0.000 2.383 463 D HA 0.360 5.000 4.640 -0.000 0.000 0.248 463 D C -0.410 175.915 176.300 0.042 0.000 1.170 463 D CA -0.121 53.901 54.000 0.037 0.000 0.977 463 D CB 1.004 41.822 40.800 0.031 0.000 1.120 463 D HN 0.169 nan 8.370 nan 0.000 0.481 464 I N 0.444 121.037 120.570 0.039 0.000 2.498 464 I HA 0.319 4.489 4.170 -0.000 0.000 0.301 464 I C -2.568 173.575 176.117 0.042 0.000 0.984 464 I CA -2.702 58.624 61.300 0.043 0.000 1.204 464 I CB 1.327 39.353 38.000 0.045 0.000 1.362 464 I HN 0.013 nan 8.210 nan 0.000 0.471 465 P HA 0.134 nan 4.420 nan 0.000 0.267 465 P C -2.156 175.166 177.300 0.037 0.000 1.200 465 P CA -0.336 62.797 63.100 0.055 0.000 0.772 465 P CB -0.011 31.728 31.700 0.065 0.000 0.855 466 P HA -0.047 nan 4.420 nan 0.000 0.220 466 P C 0.629 177.965 177.300 0.060 0.000 1.152 466 P CA 1.154 64.280 63.100 0.043 0.000 0.812 466 P CB -0.383 31.308 31.700 -0.015 0.000 0.792 467 N N -0.826 117.892 118.700 0.029 0.000 2.653 467 N HA -0.183 4.557 4.740 -0.000 0.000 0.207 467 N C 0.663 176.180 175.510 0.012 0.000 1.074 467 N CA 1.536 54.596 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 0.342 nan 8.380 nan 0.000 0.457 468 T N -4.860 109.714 114.554 0.034 0.000 3.209 468 T HA 0.051 4.401 4.350 -0.000 0.000 0.295 468 T C 0.103 174.786 174.700 -0.028 0.000 0.977 468 T CA -0.706 61.401 62.100 0.012 0.000 0.922 468 T CB -0.360 68.561 68.868 0.088 0.000 1.152 468 T HN 0.169 nan 8.240 nan 0.000 0.527 469 Y N 3.130 123.362 120.300 -0.113 0.000 2.452 469 Y HA 0.296 4.846 4.550 -0.000 0.000 0.355 469 Y C -2.200 173.549 175.900 -0.252 0.000 1.266 469 Y CA -0.756 57.284 58.100 -0.099 0.000 1.514 469 Y CB -0.118 38.295 38.460 -0.079 0.000 1.363 469 Y HN 0.034 nan 8.280 nan 0.000 0.677 470 P HA -0.172 nan 4.420 nan 0.000 0.270 470 P C -1.358 175.677 177.300 -0.441 0.000 1.181 470 P CA 1.280 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 0.754 121.008 120.300 -0.076 0.000 2.518 471 Y HA 0.557 5.107 4.550 -0.000 0.000 0.332 471 Y C 0.932 176.834 175.900 0.004 0.000 1.276 471 Y CA -0.076 58.012 58.100 -0.020 0.000 1.418 471 Y CB 1.116 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 0.752 121.278 120.400 0.209 0.000 2.690 472 K HA 0.388 4.708 4.320 -0.000 0.000 0.264 472 K C -1.929 174.748 176.600 0.128 0.000 1.040 472 K CA -0.331 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 1.859 121.834 119.914 0.102 0.000 2.649 473 V HA 0.408 4.528 4.120 -0.000 0.000 0.292 473 V C 0.061 176.197 176.094 0.072 0.000 1.055 473 V CA -0.201 62.146 62.300 0.078 0.000 1.023 473 V CB 1.575 33.431 31.823 0.053 0.000 0.992 473 V HN 0.722 nan 8.190 nan 0.000 0.480 474 S N 4.352 120.094 115.700 0.071 0.000 2.546 474 S HA 0.655 5.125 4.470 -0.000 0.000 0.272 474 S C -0.971 173.679 174.600 0.083 0.000 1.140 474 S CA -0.614 57.630 58.200 0.072 0.000 0.920 474 S CB 1.513 64.752 63.200 0.065 0.000 1.083 474 S HN 0.518 nan 8.310 nan 0.000 0.476 475 L N 2.354 123.635 121.223 0.096 0.000 2.318 475 L HA 0.468 4.808 4.340 -0.000 0.000 0.277 475 L C 1.156 178.103 176.870 0.128 0.000 1.008 475 L CA -0.355 54.560 54.840 0.125 0.000 0.846 475 L CB 1.572 43.722 42.059 0.152 0.000 1.220 475 L HN 0.727 nan 8.230 nan 0.000 0.423 476 S N 1.946 117.722 115.700 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 1.219 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 0.763 nan 8.310 nan 0.000 0.398 477 H N -0.634 118.376 119.070 -0.100 0.000 2.276 477 H HA 0.142 4.698 4.556 -0.000 0.000 0.307 477 H C 1.286 176.663 175.328 0.081 0.000 1.061 477 H CA 0.551 56.563 56.048 -0.060 0.000 1.336 477 H CB -0.537 29.129 29.762 -0.160 0.000 1.396 477 H HN 0.510 nan 8.280 nan 0.000 0.503 478 G N 0.648 109.614 108.800 0.277 0.000 3.008 478 G HA2 0.025 3.985 3.960 -0.000 0.000 0.272 478 G HA3 0.025 3.985 3.960 -0.000 0.000 0.272 478 G C 0.740 175.809 174.900 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 -0.309 115.500 115.700 0.181 0.000 2.575 479 S HA 0.155 4.625 4.470 -0.000 0.000 0.215 479 S C 0.230 174.920 174.600 0.151 0.000 0.966 479 S CA -0.236 58.066 58.200 0.171 0.000 0.911 479 S CB 0.565 63.834 63.200 0.115 0.000 0.780 479 S HN 0.233 nan 8.310 nan 0.000 0.514 480 D N 0.005 120.485 120.400 0.132 0.000 2.491 480 D HA 0.341 4.981 4.640 -0.000 0.000 0.232 480 D C -1.021 175.292 176.300 0.022 0.000 1.334 480 D CA -0.112 53.922 54.000 0.057 0.000 0.909 480 D CB 1.040 41.850 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 55.150 54.840 -0.069 0.000 1.092 481 L CB 0.412 42.555 42.059 0.140 0.000 1.465 481 L HN 0.349 nan 8.230 nan 0.000 0.625 482 T N -0.346 114.032 114.554 -0.294 0.000 1.377 482 T HA -0.206 4.144 4.350 -0.000 0.000 0.677 482 T C -0.986 173.268 174.700 -0.742 0.000 0.963 482 T CA 1.333 63.190 62.100 -0.405 0.000 3.590 482 T CB -1.171 67.454 68.868 -0.404 0.000 2.055 482 T HN 0.407 nan 8.240 nan 0.000 0.401 483 W N 1.971 123.316 121.300 0.075 0.000 3.624 483 W HA 0.555 5.215 4.660 -0.000 0.000 0.312 483 W C -0.279 176.279 176.519 0.064 0.000 1.203 483 W CA -1.052 56.345 57.345 0.087 0.000 1.225 483 W CB 1.660 31.191 29.460 0.117 0.000 1.321 483 W HN 0.552 nan 8.180 nan 0.000 0.506 484 K N 2.315 122.914 120.400 0.332 0.000 2.541 484 K HA 0.778 5.098 4.320 -0.000 0.000 0.250 484 K C -0.352 176.341 176.600 0.155 0.000 0.950 484 K CA -0.568 55.833 56.287 0.189 0.000 0.805 484 K CB 1.510 34.081 32.500 0.118 0.000 1.166 484 K HN 0.535 nan 8.250 nan 0.000 0.430 485 A N 3.624 126.516 122.820 0.120 0.000 2.407 485 A HA 0.403 4.723 4.320 -0.000 0.000 0.248 485 A C -0.611 177.003 177.584 0.051 0.000 1.082 485 A CA 0.222 52.306 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 0.522 120.739 120.200 0.028 0.000 2.388 486 E HA 0.333 4.683 4.350 -0.000 0.000 0.282 486 E C -1.672 174.925 176.600 -0.005 0.000 1.026 486 E CA -0.452 55.956 56.400 0.015 0.000 0.820 486 E CB 1.342 31.050 29.700 0.013 0.000 1.226 486 E HN 0.575 nan 8.360 nan 0.000 0.432 487 L N 1.157 122.378 121.223 -0.004 0.000 2.331 487 L HA 0.415 4.755 4.340 -0.000 0.000 0.275 487 L C 0.598 177.456 176.870 -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 0.528 120.908 120.400 -0.034 0.000 2.362 488 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 488 D C 0.982 177.270 176.300 -0.021 0.000 1.132 488 D CA 0.139 54.121 54.000 -0.030 0.000 0.907 488 D CB 1.668 42.444 40.800 -0.041 0.000 1.195 488 D HN 0.664 nan 8.370 nan 0.000 0.429 489 S N 2.980 118.671 115.700 -0.015 0.000 2.345 489 S HA -0.210 4.260 4.470 -0.000 0.000 0.220 489 S C 1.388 175.980 174.600 -0.012 0.000 1.031 489 S CA 0.841 59.036 58.200 -0.009 0.000 0.996 489 S CB -0.160 63.037 63.200 -0.005 0.000 0.882 489 S HN 0.552 nan 8.310 nan 0.000 0.445 490 K N 1.987 122.378 120.400 -0.015 0.000 3.358 490 K HA 0.266 4.587 4.320 -0.000 0.000 0.297 490 K C 1.303 177.887 176.600 -0.026 0.000 1.064 490 K CA 0.480 56.757 56.287 -0.016 0.000 1.144 490 K CB -1.211 31.281 32.500 -0.014 0.000 1.289 490 K HN 0.567 nan 8.250 nan 0.000 0.372 491 G N 0.083 108.864 108.800 -0.031 0.000 5.260 491 G HA2 -0.530 3.430 3.960 -0.000 0.000 0.276 491 G HA3 -0.530 3.430 3.960 -0.000 0.000 0.276 491 G C 1.064 175.926 174.900 -0.063 0.000 1.357 491 G CA 1.000 46.076 45.100 -0.039 0.000 1.008 491 G HN 0.476 nan 8.290 nan 0.000 0.777 492 T N 1.279 115.789 114.554 -0.073 0.000 2.685 492 T HA -0.011 4.339 4.350 -0.000 0.000 0.268 492 T C 1.702 176.309 174.700 -0.156 0.000 1.034 492 T CA 2.895 64.922 62.100 -0.122 0.000 1.149 492 T CB -0.673 68.145 68.868 -0.083 0.000 0.860 492 T HN 1.871 nan 8.240 nan 0.000 0.449 493 S N 0.748 116.382 115.700 -0.110 0.000 2.713 493 S HA 0.670 5.140 4.470 -0.000 0.000 0.283 493 S C -0.211 174.329 174.600 -0.101 0.000 1.161 493 S CA -1.012 57.123 58.200 -0.108 0.000 0.999 493 S CB 1.288 64.440 63.200 -0.080 0.000 1.039 493 S HN 0.665 nan 8.310 nan 0.000 0.548 494 M N 0.582 120.126 119.600 -0.093 0.000 2.457 494 M HA 0.577 5.057 4.480 -0.000 0.000 0.300 494 M C -1.883 174.380 176.300 -0.063 0.000 1.141 494 M CA -0.831 54.427 55.300 -0.070 0.000 0.901 494 M CB 1.469 34.028 32.600 -0.068 0.000 1.687 494 M HN 0.522 nan 8.290 nan 0.000 0.449 495 L N 3.783 124.982 121.223 -0.041 0.000 2.255 495 L HA 0.500 4.840 4.340 -0.000 0.000 0.289 495 L C -1.042 175.819 176.870 -0.015 0.000 1.046 495 L CA -0.718 54.099 54.840 -0.039 0.000 0.816 495 L CB 1.091 43.137 42.059 -0.021 0.000 1.197 495 L HN 0.627 nan 8.230 nan 0.000 0.427 496 L N 3.404 124.602 121.223 -0.043 0.000 2.265 496 L HA 0.506 4.846 4.340 -0.000 0.000 0.289 496 L C -0.343 176.583 176.870 0.093 0.000 1.033 496 L CA 0.512 55.359 54.840 0.012 0.000 0.814 496 L CB 1.315 43.324 42.059 -0.083 0.000 1.203 496 L HN 0.549 nan 8.230 nan 0.000 0.423 497 S N 5.497 121.325 115.700 0.213 0.000 2.548 497 S HA 0.629 5.099 4.470 -0.000 0.000 0.276 497 S C -2.571 172.205 174.600 0.294 0.000 1.129 497 S CA -0.886 57.456 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 0.277 nan 4.420 nan 0.000 0.300 498 P C 0.643 177.876 177.300 -0.112 0.000 1.294 498 P CA 0.163 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 -3.831 110.612 114.554 -0.185 0.000 3.416 499 T HA 0.092 4.442 4.350 -0.000 0.000 0.298 499 T C -0.463 174.162 174.700 -0.126 0.000 0.874 499 T CA -0.038 61.999 62.100 -0.106 0.000 0.901 499 T CB -0.285 68.548 68.868 -0.059 0.000 1.215 499 T HN 0.142 nan 8.240 nan 0.000 0.677 500 Q N 0.909 120.596 119.800 -0.188 0.000 2.399 500 Q HA 0.378 4.718 4.340 -0.000 0.000 0.276 500 Q C -0.241 175.670 176.000 -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 1.373 121.110 119.800 -0.106 0.000 2.282 501 Q HA 0.164 4.504 4.340 -0.000 0.000 0.205 501 Q C 0.059 176.016 176.000 -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 1.995 123.148 121.223 -0.117 0.000 2.587 502 L HA -0.190 4.150 4.340 -0.000 0.000 0.315 502 L C 0.693 177.536 176.870 -0.044 0.000 1.288 502 L CA 0.931 55.698 54.840 -0.122 0.000 0.849 502 L CB 0.179 42.105 42.059 -0.222 0.000 1.080 502 L HN 0.316 nan 8.230 nan 0.000 0.541 503 K N 1.892 122.251 120.400 -0.069 0.000 2.505 503 K HA -0.087 4.233 4.320 -0.000 0.000 0.272 503 K C 0.035 176.689 176.600 0.089 0.000 0.963 503 K CA 0.038 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 2.163 122.606 120.400 0.072 0.000 2.021 504 K HA 0.027 4.347 4.320 -0.000 0.000 0.238 504 K C 0.506 177.182 176.600 0.128 0.000 1.149 504 K CA 0.620 56.961 56.287 0.091 0.000 1.105 504 K CB -1.041 31.491 32.500 0.054 0.000 1.246 504 K HN 0.859 nan 8.250 nan 0.000 0.307 505 G N 3.074 111.989 108.800 0.193 0.000 2.888 505 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.441 505 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.441 505 G C -0.734 174.314 174.900 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 -1.521 118.952 120.400 0.123 0.000 3.478 506 D HA 0.010 4.650 4.640 -0.000 0.000 0.219 506 D C -0.277 176.140 176.300 0.196 0.000 1.143 506 D CA 1.952 56.000 54.000 0.080 0.000 1.047 506 D CB -1.776 39.065 40.800 0.068 0.000 0.820 506 D HN 2.237 nan 8.370 nan 0.000 0.393 507 Y N -1.658 118.639 120.300 -0.005 0.000 2.522 507 Y HA 0.491 5.041 4.550 -0.000 0.000 0.326 507 Y C -0.608 175.254 175.900 -0.062 0.000 1.198 507 Y CA -0.628 57.473 58.100 0.002 0.000 1.112 507 Y CB 0.259 38.768 38.460 0.082 0.000 1.342 507 Y HN 0.269 nan 8.280 nan 0.000 0.460 508 S N 4.086 119.766 115.700 -0.034 0.000 2.686 508 S HA 0.771 5.241 4.470 -0.000 0.000 0.270 508 S C -0.554 173.929 174.600 -0.194 0.000 1.194 508 S CA -0.514 57.536 58.200 -0.249 0.000 0.990 508 S CB 1.934 64.928 63.200 -0.344 0.000 1.029 508 S HN 1.274 nan 8.310 nan 0.000 0.560 509 I N 0.404 120.736 120.570 -0.396 0.000 2.534 509 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 509 I C -1.968 173.990 176.117 -0.265 0.000 1.094 509 I CA -0.995 60.078 61.300 -0.377 0.000 1.055 509 I CB 1.016 38.555 38.000 -0.768 0.000 1.225 509 I HN 0.705 nan 8.210 nan 0.000 0.435 510 Y N 6.379 126.649 120.300 -0.050 0.000 2.436 510 Y HA 0.349 4.899 4.550 -0.000 0.000 0.336 510 Y C 0.356 176.244 175.900 -0.019 0.000 1.049 510 Y CA 0.024 58.113 58.100 -0.017 0.000 1.294 510 Y CB 1.002 39.485 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 0.580 4.700 4.120 -0.000 0.000 0.315 511 V C -0.721 175.422 176.094 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 33.699 31.823 0.009 0.000 1.039 511 V HN 0.493 nan 8.190 nan 0.000 0.452 512 L N 3.898 125.162 121.223 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 2.607 123.881 121.223 0.085 0.000 2.293 513 L HA 0.938 5.278 4.340 -0.000 0.000 0.264 513 L C -0.134 176.811 176.870 0.124 0.000 1.029 513 L CA -0.879 54.039 54.840 0.130 0.000 0.897 513 L CB 2.072 44.238 42.059 0.178 0.000 1.497 513 L HN 0.744 nan 8.230 nan 0.000 0.495 514 S N -1.348 114.449 115.700 0.161 0.000 2.565 514 S HA 0.266 4.736 4.470 -0.000 0.000 0.274 514 S C -0.977 173.576 174.600 -0.080 0.000 1.144 514 S CA -0.660 57.573 58.200 0.056 0.000 0.849 514 S CB 2.026 65.246 63.200 0.034 0.000 1.103 514 S HN 0.829 nan 8.310 nan 0.000 0.455 515 D N -0.595 119.714 120.400 -0.152 0.000 2.449 515 D HA 0.408 5.048 4.640 -0.000 0.000 0.255 515 D C 0.828 177.033 176.300 -0.157 0.000 1.121 515 D CA 0.415 54.215 54.000 -0.333 0.000 0.830 515 D CB 0.060 40.661 40.800 -0.332 0.000 1.280 515 D HN 0.508 nan 8.370 nan 0.000 0.522 516 A N -1.102 121.672 122.820 -0.076 0.000 2.295 516 A HA 0.512 4.832 4.320 -0.000 0.000 0.193 516 A C 1.303 178.869 177.584 -0.029 0.000 1.512 516 A CA 1.029 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 -2.934 116.846 119.800 -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 -0.755 27.979 28.738 -0.006 0.000 0.157 517 Q HN 0.238 nan 8.270 nan 0.000 0.899 518 N N 0.940 119.637 118.700 -0.005 0.000 2.677 518 N HA -0.355 4.385 4.740 -0.000 0.000 0.230 518 N C 0.015 175.534 175.510 0.014 0.000 1.021 518 N CA 2.078 55.130 53.050 0.003 0.000 1.156 518 N CB -0.700 37.788 38.487 0.003 0.000 1.117 518 N HN 0.628 nan 8.380 nan 0.000 0.614 519 N N -3.083 115.630 118.700 0.021 0.000 2.936 519 N HA -0.167 4.573 4.740 -0.000 0.000 0.236 519 N C -2.320 173.215 175.510 0.042 0.000 0.930 519 N CA 0.514 53.583 53.050 0.031 0.000 0.966 519 N CB -0.931 37.568 38.487 0.021 0.000 1.090 519 N HN 0.299 nan 8.380 nan 0.000 0.592 520 P HA -0.081 nan 4.420 nan 0.000 0.263 520 P C -0.544 176.789 177.300 0.055 0.000 1.175 520 P CA 0.940 64.070 63.100 0.050 0.000 0.761 520 P CB 0.351 32.080 31.700 0.049 0.000 0.794 521 Q N 2.621 122.447 119.800 0.044 0.000 2.286 521 Q HA 0.150 4.490 4.340 -0.000 0.000 0.265 521 Q C 0.216 176.245 176.000 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 29.242 28.738 0.034 0.000 1.227 521 Q HN 0.502 nan 8.270 nan 0.000 0.409 522 L N 1.118 122.376 121.223 0.058 0.000 2.756 522 L HA 0.537 4.877 4.340 -0.000 0.000 0.220 522 L C 0.321 177.227 176.870 0.061 0.000 1.797 522 L CA -0.131 54.734 54.840 0.043 0.000 2.814 522 L CB 1.851 43.925 42.059 0.024 0.000 2.634 522 L HN 0.629 nan 8.230 nan 0.000 0.723 523 T N -1.539 113.035 114.554 0.033 0.000 2.640 523 T HA 0.244 4.594 4.350 -0.000 0.000 0.268 523 T C -1.628 173.023 174.700 -0.081 0.000 1.406 523 T CA 0.064 62.183 62.100 0.032 0.000 1.078 523 T CB 0.489 69.359 68.868 0.002 0.000 1.923 523 T HN 0.265 nan 8.240 nan 0.000 0.431 524 V N 1.487 121.289 119.914 -0.186 0.000 2.530 524 V HA 0.791 4.911 4.120 -0.000 0.000 0.282 524 V C -0.485 175.444 176.094 -0.275 0.000 1.048 524 V CA -0.419 61.684 62.300 -0.330 0.000 0.997 524 V CB 0.875 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 4.873 124.571 119.914 -0.360 0.000 2.454 525 V HA 0.342 4.462 4.120 -0.000 0.000 0.267 525 V C 0.019 175.705 176.094 -0.680 0.000 0.993 525 V CA -0.652 61.388 62.300 -0.434 0.000 0.836 525 V CB 0.709 32.346 31.823 -0.311 0.000 1.055 525 V HN 0.964 nan 8.190 nan 0.000 0.452 526 N N 2.502 120.861 118.700 -0.568 0.000 2.237 526 N HA 0.365 5.105 4.740 -0.000 0.000 0.222 526 N C 0.156 175.179 175.510 -0.811 0.000 1.311 526 N CA 0.521 53.230 53.050 -0.567 0.000 0.880 526 N CB 0.638 38.900 38.487 -0.375 0.000 1.106 526 N HN 0.815 nan 8.380 nan 0.000 0.435 527 A N 0.228 122.642 122.820 -0.675 0.000 2.499 527 A HA 0.401 4.721 4.320 -0.000 0.000 0.280 527 A C -0.627 176.723 177.584 -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 2.708 117.153 114.554 -0.183 0.000 2.727 528 T HA 0.458 4.808 4.350 -0.000 0.000 0.298 528 T C 0.136 174.847 174.700 0.017 0.000 0.942 528 T CA 0.011 62.071 62.100 -0.066 0.000 0.997 528 T CB 0.339 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 3.650 123.601 119.914 0.063 0.000 2.630 529 V HA 0.710 4.830 4.120 -0.000 0.000 0.305 529 V C 0.343 176.490 176.094 0.087 0.000 1.046 529 V CA -0.952 61.414 62.300 0.110 0.000 0.934 529 V CB 1.315 33.257 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 0.658 43.192 42.510 0.040 0.000 1.764 530 c HN 0.767 nan 8.230 nan 0.000 0.489 531 S N 1.072 116.795 115.700 0.038 0.000 2.817 531 S HA 0.300 4.770 4.470 -0.000 0.000 0.333 531 S C 0.207 174.823 174.600 0.027 0.000 1.227 531 S CA 0.808 59.027 58.200 0.031 0.000 1.027 531 S CB -0.451 62.763 63.200 0.023 0.000 0.732 531 S HN 1.196 nan 8.310 nan 0.000 0.499 532 c N 2.584 121.199 118.600 0.025 0.000 3.271 532 c HA 0.442 5.012 4.570 -0.000 0.000 0.353 532 c C 0.662 174.762 174.090 0.017 0.000 1.510 532 c CA -0.478 55.864 56.329 0.021 0.000 1.149 532 c CB 0.828 43.354 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 57.825 56.400 0.011 0.000 1.043 533 E CB 0.149 29.854 29.700 0.008 0.000 2.367 533 E HN 0.935 nan 8.360 nan 0.000 0.565 534 G N -0.319 108.487 108.800 0.010 0.000 3.531 534 G HA2 0.196 4.156 3.960 -0.000 0.000 0.212 534 G HA3 0.196 4.156 3.960 -0.000 0.000 0.212 534 G C -0.260 174.644 174.900 0.006 0.000 1.146 534 G CA -0.291 44.814 45.100 0.009 0.000 0.916 534 G HN -0.032 nan 8.290 nan 0.000 0.637 535 K N 1.380 121.783 120.400 0.005 0.000 2.185 535 K HA 0.623 4.943 4.320 -0.000 0.000 0.269 535 K C 0.112 176.714 176.600 0.003 0.000 0.987 535 K CA -0.613 55.674 56.287 0.000 0.000 0.865 535 K CB 2.138 34.637 32.500 -0.002 0.000 1.090 535 K HN 0.116 nan 8.250 nan 0.000 0.450 536 A N 4.715 127.533 122.820 -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 52.495 52.037 -0.002 0.000 0.800 536 A CB -0.708 18.278 19.000 -0.023 0.000 1.000 536 A HN 0.789 nan 8.150 nan 0.000 0.522 537 I N 1.651 122.229 120.570 0.014 0.000 2.822 537 I HA 0.413 4.583 4.170 -0.000 0.000 0.312 537 I C 0.533 176.659 176.117 0.016 0.000 1.011 537 I CA -1.122 60.186 61.300 0.013 0.000 1.105 537 I CB 1.316 39.325 38.000 0.015 0.000 1.291 537 I HN 0.683 nan 8.210 nan 0.000 0.474 538 K N 3.502 123.910 120.400 0.012 0.000 2.401 538 K HA 0.135 4.455 4.320 -0.000 0.000 0.278 538 K C -0.296 176.312 176.600 0.015 0.000 1.018 538 K CA -0.348 55.946 56.287 0.012 0.000 0.981 538 K CB 0.783 33.288 32.500 0.008 0.000 0.933 538 K HN 0.706 nan 8.250 nan 0.000 0.477 539 c N 1.912 120.521 118.600 0.015 0.000 2.369 539 c HA 0.313 4.883 4.570 -0.000 0.000 0.089 539 c C 0.112 174.210 174.090 0.014 0.000 2.614 539 c CA -0.296 56.043 56.329 0.017 0.000 1.724 539 c CB 0.704 43.226 42.510 0.020 0.000 2.453 539 c HN 0.959 nan 8.230 nan 0.000 0.263 540 Q N 0.000 119.808 119.800 0.013 0.000 2.315 540 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 540 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 540 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 540 Q HN 0.000 nan 8.270 nan 0.000 0.481