REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1q5b_1_B DATA FIRST_RESID 1 DATA SEQUENCE DWVIPPIKVS ENERGPFPKR LVQIKSNKDR FNKVYYSITG QGADNPPQGV DATA SEQUENCE FRIEWETGWM LVTRPLDREE YDKYVLSSHA VSENGSPVEE PMEITINVID DATA SEQUENCE QNDNRPKFTQ DVFRGSVREG VQPGTQVMAV SATDEDDNID SLNGVLSYSI DATA SEQUENCE LKQDPEEPIP NLFTINRETG VISLIGTGLD REKFPEYTLT VQATDLEGAG DATA SEQUENCE LSVEGKAIIQ ITDANDNAPI FDPKTYTALV PENEIGFEVQ RLSVTDLDMP DATA SEQUENCE GTPAWQAVYK IRVNEGGFFN ITTDPESNQG ILTTAKGLDF ELRKQYVLQI DATA SEQUENCE TVENAEPFSV PLPTSTATVT VTVEDVNEAP FFVPAVSRVD VSEDLSRGEK DATA SEQUENCE IISLVAQDPD KQQIQKLSYF IGNDPARWLT VNKDNGIVTG NGNLDRESEY DATA SEQUENCE VKNNTYTVIM LVTDDGVSVG TGTGTLILHV LDVNDNGPVP SPRVFTMcDQ DATA SEQUENCE NPEPQVLTIS DADIPPNTYP YKVSLSHGSD LTWKAELDSK GTSMLLSPTQ DATA SEQUENCE QLKKGDYSIY VLLSDAQNNP QLTVVNATVc ScEGKAIKcQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.262 176.300 -0.063 0.000 2.045 1 D CA 0.000 53.985 54.000 -0.025 0.000 0.868 1 D CB 0.000 40.839 40.800 0.066 0.000 0.688 2 W N 2.189 123.483 121.300 -0.010 0.000 2.289 2 W HA 0.432 5.092 4.660 -0.000 0.000 0.342 2 W C 0.756 177.265 176.519 -0.017 0.000 0.958 2 W CA -0.631 56.706 57.345 -0.013 0.000 1.492 2 W CB 0.599 30.051 29.460 -0.014 0.000 1.336 2 W HN 0.281 nan 8.180 nan 0.000 0.371 3 V N 1.837 121.883 119.914 0.220 0.000 4.690 3 V HA 0.397 4.517 4.120 -0.000 0.000 0.267 3 V C -0.004 176.157 176.094 0.111 0.000 1.088 3 V CA -0.396 61.981 62.300 0.127 0.000 0.686 3 V CB 0.315 32.178 31.823 0.066 0.000 1.152 3 V HN 0.315 nan 8.190 nan 0.000 0.353 4 I N 0.883 121.490 120.570 0.061 0.000 2.563 4 I HA 0.547 4.717 4.170 -0.000 0.000 0.285 4 I C -2.733 173.399 176.117 0.025 0.000 1.123 4 I CA -2.017 59.303 61.300 0.034 0.000 1.059 4 I CB 1.865 39.867 38.000 0.004 0.000 1.229 4 I HN 0.605 nan 8.210 nan 0.000 0.442 5 P HA 0.231 nan 4.420 nan 0.000 0.266 5 P C -2.547 174.761 177.300 0.013 0.000 1.193 5 P CA -0.477 62.639 63.100 0.026 0.000 0.770 5 P CB -0.395 31.323 31.700 0.030 0.000 0.836 6 P HA 0.176 nan 4.420 nan 0.000 0.269 6 P C -0.535 176.771 177.300 0.011 0.000 1.215 6 P CA 0.229 63.335 63.100 0.009 0.000 0.780 6 P CB 0.373 32.082 31.700 0.016 0.000 0.898 7 I N 1.904 122.478 120.570 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 -1.207 60.102 61.300 0.015 0.000 1.167 7 I CB 1.078 39.081 38.000 0.007 0.000 1.320 7 I HN 0.151 nan 8.210 nan 0.000 0.458 8 K N 5.799 126.220 120.400 0.034 0.000 2.350 8 K HA 0.551 4.871 4.320 -0.000 0.000 0.279 8 K C -0.613 176.018 176.600 0.051 0.000 1.027 8 K CA -0.452 55.861 56.287 0.043 0.000 0.969 8 K CB 0.768 33.290 32.500 0.037 0.000 0.954 8 K HN 0.310 nan 8.250 nan 0.000 0.474 9 V N 0.998 120.950 119.914 0.063 0.000 2.808 9 V HA 0.337 4.457 4.120 -0.000 0.000 0.308 9 V C -0.214 175.923 176.094 0.071 0.000 1.099 9 V CA -1.025 61.319 62.300 0.072 0.000 0.920 9 V CB 2.120 33.999 31.823 0.095 0.000 1.014 9 V HN 0.877 nan 8.190 nan 0.000 0.425 10 S N 2.164 117.902 115.700 0.063 0.000 2.614 10 S HA 0.362 4.832 4.470 -0.000 0.000 0.265 10 S C -0.187 174.455 174.600 0.070 0.000 1.303 10 S CA -0.315 57.920 58.200 0.059 0.000 1.000 10 S CB 0.968 64.195 63.200 0.046 0.000 0.935 10 S HN 0.898 nan 8.310 nan 0.000 0.551 11 E N 1.203 121.442 120.200 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 1.773 120.509 118.700 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 -0.726 37.788 38.487 0.045 0.000 0.930 12 N HN 0.624 nan 8.380 nan 0.000 0.543 13 E N 0.949 121.212 120.200 0.105 0.000 2.374 13 E HA 0.416 4.766 4.350 -0.000 0.000 0.260 13 E C 0.070 176.778 176.600 0.180 0.000 1.101 13 E CA -0.327 56.150 56.400 0.128 0.000 0.907 13 E CB 0.669 30.471 29.700 0.170 0.000 1.014 13 E HN 0.247 nan 8.360 nan 0.000 0.427 14 R N 1.195 121.756 120.500 0.102 0.000 2.725 14 R HA 0.446 4.786 4.340 -0.000 0.000 0.276 14 R C -1.127 175.135 176.300 -0.064 0.000 1.189 14 R CA 0.316 56.471 56.100 0.091 0.000 1.083 14 R CB 1.075 31.427 30.300 0.086 0.000 1.262 14 R HN 0.630 nan 8.270 nan 0.000 0.415 15 G N 2.884 111.556 108.800 -0.214 0.000 2.529 15 G HA2 0.443 4.403 3.960 -0.000 0.000 0.238 15 G HA3 0.443 4.403 3.960 -0.000 0.000 0.238 15 G C -2.810 171.869 174.900 -0.368 0.000 1.207 15 G CA -0.571 44.370 45.100 -0.265 0.000 0.928 15 G HN 0.450 nan 8.290 nan 0.000 0.495 16 P HA 0.527 nan 4.420 nan 0.000 0.293 16 P C -1.353 175.675 177.300 -0.454 0.000 1.313 16 P CA -0.140 62.789 63.100 -0.284 0.000 0.787 16 P CB 1.034 32.626 31.700 -0.179 0.000 0.910 17 F N 3.765 123.687 119.950 -0.048 0.000 2.377 17 F HA 0.402 4.929 4.527 0.000 0.000 0.328 17 F C -1.010 174.755 175.800 -0.058 0.000 1.094 17 F CA -1.413 56.553 58.000 -0.057 0.000 1.093 17 F CB 0.021 38.986 39.000 -0.058 0.000 1.214 17 F HN 0.270 nan 8.300 nan 0.000 0.518 18 P HA 0.268 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 0.544 32.268 31.700 0.041 0.000 1.206 19 K N 0.211 120.615 120.400 0.007 0.000 2.615 19 K HA 0.313 4.633 4.320 -0.000 0.000 0.249 19 K C -0.844 175.744 176.600 -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 3.479 123.915 120.500 -0.106 0.000 2.442 20 R HA 0.195 4.535 4.340 -0.000 0.000 0.291 20 R C 0.371 176.688 176.300 0.028 0.000 1.069 20 R CA -0.094 55.947 56.100 -0.097 0.000 1.022 20 R CB 0.547 30.591 30.300 -0.426 0.000 0.976 20 R HN 0.462 nan 8.270 nan 0.000 0.443 21 L N 2.951 124.258 121.223 0.141 0.000 2.379 21 L HA 0.264 4.604 4.340 -0.000 0.000 0.190 21 L C 0.319 177.308 176.870 0.199 0.000 1.111 21 L CA 0.849 55.774 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 -1.549 118.523 119.914 0.264 0.000 3.258 22 V HA 0.430 4.550 4.120 -0.000 0.000 0.299 22 V C -1.884 174.252 176.094 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 3.252 122.819 119.800 -0.388 0.000 2.340 23 Q HA 0.721 5.061 4.340 -0.000 0.000 0.268 23 Q C -1.250 174.410 176.000 -0.566 0.000 1.031 23 Q CA -0.711 54.579 55.803 -0.854 0.000 0.804 23 Q CB 1.921 29.501 28.738 -1.930 0.000 1.286 23 Q HN 0.840 nan 8.270 nan 0.000 0.448 24 I N 0.036 120.279 120.570 -0.545 0.000 2.603 24 I HA 0.695 4.865 4.170 -0.000 0.000 0.300 24 I C -1.328 174.445 176.117 -0.572 0.000 1.017 24 I CA -0.917 60.112 61.300 -0.453 0.000 1.098 24 I CB 2.030 39.818 38.000 -0.354 0.000 1.279 24 I HN 0.530 nan 8.210 nan 0.000 0.437 25 K N 3.584 123.774 120.400 -0.350 0.000 2.482 25 K HA 0.438 4.758 4.320 -0.000 0.000 0.251 25 K C -1.269 175.325 176.600 -0.010 0.000 0.936 25 K CA -0.458 55.698 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 1.589 117.409 115.700 0.200 0.000 2.508 26 S HA 0.140 4.610 4.470 -0.000 0.000 0.284 26 S C 0.687 175.354 174.600 0.112 0.000 1.192 26 S CA -0.639 57.666 58.200 0.176 0.000 1.070 26 S CB 0.472 63.813 63.200 0.236 0.000 1.004 26 S HN 0.827 nan 8.310 nan 0.000 0.493 27 N N 2.903 121.643 118.700 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 0.013 38.514 38.487 0.024 0.000 0.974 27 N HN 0.413 nan 8.380 nan 0.000 0.477 28 K N 1.144 121.586 120.400 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 0.383 56.714 56.287 0.073 0.000 1.157 28 K CB 0.032 32.569 32.500 0.061 0.000 0.899 28 K HN 0.448 nan 8.250 nan 0.000 0.501 29 D N -1.529 118.927 120.400 0.092 0.000 2.339 29 D HA -0.092 4.548 4.640 -0.000 0.000 0.217 29 D C 1.550 177.904 176.300 0.090 0.000 1.050 29 D CA -0.074 53.983 54.000 0.094 0.000 0.856 29 D CB 0.184 41.033 40.800 0.081 0.000 0.922 29 D HN 0.034 nan 8.370 nan 0.000 0.518 30 R N -0.581 119.977 120.500 0.097 0.000 2.127 30 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 30 R C 1.354 177.717 176.300 0.106 0.000 1.134 30 R CA 1.109 57.260 56.100 0.084 0.000 0.975 30 R CB -0.323 30.029 30.300 0.087 0.000 0.865 30 R HN 0.341 nan 8.270 nan 0.000 0.447 31 F N 0.068 120.026 119.950 0.013 0.000 2.147 31 F HA 0.142 4.669 4.527 -0.000 0.000 0.291 31 F C 0.868 176.676 175.800 0.014 0.000 1.093 31 F CA 0.915 58.922 58.000 0.012 0.000 1.263 31 F CB 0.069 39.076 39.000 0.011 0.000 1.036 31 F HN 0.025 nan 8.300 nan 0.000 0.481 32 N N -0.551 118.206 118.700 0.095 0.000 3.343 32 N HA 0.223 4.963 4.740 -0.000 0.000 0.330 32 N C -1.753 173.777 175.510 0.033 0.000 1.560 32 N CA -0.794 52.223 53.050 -0.054 0.000 0.752 32 N CB 1.186 39.776 38.487 0.171 0.000 1.863 32 N HN -0.040 nan 8.380 nan 0.000 0.636 33 K N 0.481 120.904 120.400 0.039 0.000 2.205 33 K HA 0.459 4.779 4.320 -0.000 0.000 0.279 33 K C -1.120 175.525 176.600 0.074 0.000 1.027 33 K CA -0.506 55.821 56.287 0.065 0.000 0.932 33 K CB 0.651 33.211 32.500 0.100 0.000 1.032 33 K HN 0.294 nan 8.250 nan 0.000 0.466 34 V N 4.681 124.604 119.914 0.015 0.000 2.483 34 V HA 0.192 4.312 4.120 -0.000 0.000 0.295 34 V C -0.964 175.028 176.094 -0.170 0.000 1.035 34 V CA -0.765 61.468 62.300 -0.111 0.000 0.896 34 V CB 1.090 32.753 31.823 -0.268 0.000 0.986 34 V HN 0.677 nan 8.190 nan 0.000 0.447 35 Y N 4.801 124.963 120.300 -0.229 0.000 2.369 35 Y HA 0.511 5.061 4.550 0.000 0.000 0.337 35 Y C -0.573 175.237 175.900 -0.150 0.000 0.961 35 Y CA -0.702 57.355 58.100 -0.071 0.000 1.186 35 Y CB 0.710 39.190 38.460 0.035 0.000 1.139 35 Y HN 0.595 nan 8.280 nan 0.000 0.494 36 Y N 4.536 124.803 120.300 -0.055 0.000 2.336 36 Y HA 0.376 4.926 4.550 0.000 0.000 0.335 36 Y C 0.711 176.595 175.900 -0.027 0.000 1.046 36 Y CA -0.047 58.047 58.100 -0.011 0.000 1.198 36 Y CB 0.941 39.377 38.460 -0.041 0.000 1.182 36 Y HN 0.642 nan 8.280 nan 0.000 0.502 37 S N 4.062 119.931 115.700 0.282 0.000 2.811 37 S HA 0.848 5.318 4.470 -0.000 0.000 0.311 37 S C -1.121 173.636 174.600 0.262 0.000 1.152 37 S CA -0.886 57.481 58.200 0.279 0.000 0.864 37 S CB 2.435 65.847 63.200 0.354 0.000 1.226 37 S HN 0.693 nan 8.310 nan 0.000 0.541 38 I N 0.666 121.388 120.570 0.254 0.000 2.800 38 I HA 0.547 4.717 4.170 -0.000 0.000 0.294 38 I C -1.726 174.510 176.117 0.198 0.000 1.538 38 I CA -0.224 61.184 61.300 0.179 0.000 1.010 38 I CB 2.000 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 2.429 117.089 114.554 0.175 0.000 2.906 39 T HA 1.003 5.353 4.350 -0.000 0.000 0.295 39 T C -0.263 174.499 174.700 0.104 0.000 1.075 39 T CA -0.129 62.071 62.100 0.167 0.000 1.005 39 T CB 2.019 71.032 68.868 0.241 0.000 1.136 39 T HN 1.646 nan 8.240 nan 0.000 0.498 40 G N 0.541 109.397 108.800 0.092 0.000 2.346 40 G HA2 0.215 4.175 3.960 -0.000 0.000 0.294 40 G HA3 0.215 4.175 3.960 -0.000 0.000 0.294 40 G C -1.610 173.331 174.900 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 1.305 177.377 176.000 0.121 0.000 0.989 41 Q CA 1.248 57.063 55.803 0.020 0.000 0.890 41 Q CB 1.087 29.782 28.738 -0.071 0.000 1.200 41 Q HN 2.251 nan 8.270 nan 0.000 0.396 42 G N 1.365 110.256 108.800 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 0.768 123.718 122.820 0.215 0.000 3.152 43 A HA 0.560 4.880 4.320 -0.000 0.000 0.206 43 A C 1.775 179.434 177.584 0.124 0.000 2.224 43 A CA 1.500 53.645 52.037 0.181 0.000 1.378 43 A CB -0.301 18.784 19.000 0.141 0.000 1.222 43 A HN 0.609 nan 8.150 nan 0.000 0.419 44 D N -0.324 120.139 120.400 0.103 0.000 2.346 44 D HA 0.039 4.679 4.640 -0.000 0.000 0.206 44 D C -0.246 176.090 176.300 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 1.440 120.177 118.700 0.062 0.000 2.492 45 N HA 0.289 5.029 4.740 -0.000 0.000 0.289 45 N C -2.642 172.886 175.510 0.031 0.000 1.133 45 N CA -1.649 51.426 53.050 0.042 0.000 0.961 45 N CB 1.039 39.547 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 -0.198 31.515 31.700 0.021 0.000 0.773 47 P HA 0.010 nan 4.420 nan 0.000 0.264 47 P C -0.429 176.886 177.300 0.024 0.000 1.236 47 P CA 0.449 63.535 63.100 -0.023 0.000 0.811 47 P CB 0.069 31.737 31.700 -0.053 0.000 0.840 48 Q N 2.069 121.884 119.800 0.024 0.000 2.332 48 Q HA 0.416 4.756 4.340 -0.000 0.000 0.263 48 Q C 1.249 177.262 176.000 0.021 0.000 0.979 48 Q CA 0.143 55.968 55.803 0.037 0.000 0.885 48 Q CB 0.382 29.140 28.738 0.033 0.000 1.218 48 Q HN 0.677 nan 8.270 nan 0.000 0.405 49 G N 1.162 109.984 108.800 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 0.423 175.269 174.900 -0.089 0.000 1.018 49 G CA 0.162 45.262 45.100 0.000 0.000 0.728 49 G HN 0.481 nan 8.290 nan 0.000 0.508 50 V N -1.357 118.476 119.914 -0.135 0.000 2.649 50 V HA 0.343 4.463 4.120 -0.000 0.000 0.248 50 V C 0.976 176.582 176.094 -0.812 0.000 1.054 50 V CA 1.501 63.496 62.300 -0.508 0.000 1.073 50 V CB -0.380 31.038 31.823 -0.674 0.000 0.699 50 V HN 0.345 nan 8.190 nan 0.000 0.463 51 F N 0.409 120.328 119.950 -0.051 0.000 2.563 51 F HA 0.787 5.314 4.527 -0.000 0.000 0.316 51 F C 0.129 175.937 175.800 0.014 0.000 1.076 51 F CA -1.222 56.761 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 2.456 32.825 30.300 0.115 0.000 1.241 52 R HN 0.796 nan 8.270 nan 0.000 0.463 53 I N 0.687 121.348 120.570 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 2.394 40.464 38.000 0.117 0.000 1.258 53 I HN 0.724 nan 8.210 nan 0.000 0.430 54 E N 8.125 128.397 120.200 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 -0.359 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 4.106 125.337 121.300 -0.114 0.000 2.279 55 W HA -0.325 4.335 4.660 0.000 0.000 0.298 55 W C 0.921 177.366 176.519 -0.125 0.000 1.228 55 W CA 1.515 58.637 57.345 -0.371 0.000 1.230 55 W CB -0.392 28.451 29.460 -1.027 0.000 1.138 55 W HN 0.490 nan 8.180 nan 0.000 0.532 56 E N 0.512 120.277 120.200 -0.726 0.000 2.389 56 E HA -0.082 4.268 4.350 -0.000 0.000 0.199 56 E C 2.323 178.812 176.600 -0.185 0.000 0.978 56 E CA 1.431 57.492 56.400 -0.565 0.000 0.912 56 E CB 0.127 29.129 29.700 -1.163 0.000 0.907 56 E HN 0.261 nan 8.360 nan 0.000 0.494 57 T N -3.793 110.663 114.554 -0.162 0.000 3.021 57 T HA 0.262 4.612 4.350 -0.000 0.000 0.245 57 T C 1.492 176.011 174.700 -0.302 0.000 1.028 57 T CA 0.581 62.606 62.100 -0.125 0.000 1.139 57 T CB 0.620 69.518 68.868 0.050 0.000 0.884 57 T HN 0.189 nan 8.240 nan 0.000 0.457 58 G N 0.462 109.081 108.800 -0.301 0.000 2.135 58 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.183 58 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.183 58 G C -0.311 174.324 174.900 -0.441 0.000 1.004 58 G CA -0.535 44.204 45.100 -0.601 0.000 0.677 58 G HN 0.542 nan 8.290 nan 0.000 0.512 59 W N -0.167 121.037 121.300 -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 -0.900 56.383 57.345 -0.103 0.000 1.218 59 W CB 1.130 30.543 29.460 -0.079 0.000 1.205 59 W HN 0.131 nan 8.180 nan 0.000 0.559 60 M N 4.322 124.102 119.600 0.300 0.000 2.364 60 M HA 0.584 5.064 4.480 -0.000 0.000 0.334 60 M C -1.310 175.118 176.300 0.212 0.000 1.107 60 M CA -0.467 54.952 55.300 0.197 0.000 0.988 60 M CB 0.944 33.617 32.600 0.122 0.000 1.673 60 M HN 0.341 nan 8.290 nan 0.000 0.441 61 L N 3.605 124.943 121.223 0.191 0.000 2.350 61 L HA 0.759 5.099 4.340 -0.000 0.000 0.260 61 L C -0.931 176.038 176.870 0.164 0.000 1.015 61 L CA -1.203 53.729 54.840 0.153 0.000 0.821 61 L CB 1.863 43.977 42.059 0.091 0.000 1.370 61 L HN 0.425 nan 8.230 nan 0.000 0.416 62 V N 0.092 120.067 119.914 0.102 0.000 2.427 62 V HA 0.266 4.386 4.120 -0.000 0.000 0.286 62 V C 0.669 176.732 176.094 -0.052 0.000 1.034 62 V CA 0.346 62.593 62.300 -0.088 0.000 0.893 62 V CB 1.685 33.522 31.823 0.022 0.000 0.982 62 V HN 0.925 nan 8.190 nan 0.000 0.452 63 T N 6.475 120.869 114.554 -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 -0.569 0.000 1.073 63 T CA 0.871 62.843 62.100 -0.213 0.000 1.125 63 T CB -0.154 68.594 68.868 -0.200 0.000 0.908 63 T HN 0.855 nan 8.240 nan 0.000 0.480 64 R N 0.076 120.083 120.500 -0.821 0.000 2.766 64 R HA 0.571 4.911 4.340 -0.000 0.000 0.270 64 R C -3.344 172.430 176.300 -0.876 0.000 1.035 64 R CA -1.919 53.452 56.100 -1.215 0.000 0.911 64 R CB 0.238 30.160 30.300 -0.630 0.000 1.243 64 R HN -0.156 nan 8.270 nan 0.000 0.460 65 P HA 0.151 nan 4.420 nan 0.000 0.270 65 P C -0.967 176.255 177.300 -0.129 0.000 1.223 65 P CA -0.185 62.799 63.100 -0.193 0.000 0.785 65 P CB 0.408 32.066 31.700 -0.070 0.000 0.923 66 L N -0.600 120.608 121.223 -0.024 0.000 2.376 66 L HA 0.743 5.083 4.340 -0.000 0.000 0.258 66 L C -0.635 176.278 176.870 0.072 0.000 1.013 66 L CA -0.893 53.965 54.840 0.030 0.000 0.822 66 L CB 1.978 44.069 42.059 0.053 0.000 1.388 66 L HN 0.118 nan 8.230 nan 0.000 0.413 67 D N -0.355 120.111 120.400 0.110 0.000 2.505 67 D HA 0.301 4.941 4.640 -0.000 0.000 0.250 67 D C 0.827 177.204 176.300 0.128 0.000 1.164 67 D CA -0.754 53.304 54.000 0.097 0.000 0.870 67 D CB 1.555 42.398 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 0.903 177.248 176.300 0.076 0.000 1.134 68 R CA 1.223 57.396 56.100 0.121 0.000 0.975 68 R CB -0.180 30.176 30.300 0.093 0.000 0.865 68 R HN 0.251 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 -0.387 176.060 176.600 -0.254 0.000 0.974 70 E CA 0.519 56.866 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 0.403 120.729 120.300 0.044 0.000 2.346 71 Y HA 0.130 4.680 4.550 -0.000 0.000 0.332 71 Y C -0.358 175.592 175.900 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 1.099 121.599 120.400 0.166 0.000 2.349 72 D HA 0.105 4.745 4.640 -0.000 0.000 0.214 72 D C 0.026 176.440 176.300 0.190 0.000 1.063 72 D CA 0.208 54.305 54.000 0.162 0.000 0.847 72 D CB 0.680 41.531 40.800 0.086 0.000 0.933 72 D HN 0.446 nan 8.370 nan 0.000 0.513 73 K N -0.920 119.603 120.400 0.205 0.000 2.610 73 K HA 0.347 4.667 4.320 -0.000 0.000 0.278 73 K C -2.147 174.538 176.600 0.141 0.000 0.964 73 K CA -0.665 55.755 56.287 0.222 0.000 0.859 73 K CB 1.216 33.780 32.500 0.106 0.000 1.434 73 K HN -0.154 nan 8.250 nan 0.000 0.410 74 Y N -0.066 120.234 120.300 0.001 0.000 2.553 74 Y HA 0.573 5.123 4.550 0.000 0.000 0.347 74 Y C -0.815 175.027 175.900 -0.096 0.000 1.019 74 Y CA -0.816 57.247 58.100 -0.062 0.000 1.032 74 Y CB 2.452 40.818 38.460 -0.157 0.000 1.284 74 Y HN 0.178 nan 8.280 nan 0.000 0.466 75 V N 4.234 124.180 119.914 0.052 0.000 2.638 75 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 75 V C -0.791 175.292 176.094 -0.017 0.000 1.052 75 V CA -0.819 61.481 62.300 0.001 0.000 0.885 75 V CB 1.957 33.781 31.823 0.002 0.000 0.999 75 V HN 0.578 nan 8.190 nan 0.000 0.424 76 L N 2.485 123.678 121.223 -0.050 0.000 2.350 76 L HA 0.722 5.061 4.340 -0.000 0.000 0.260 76 L C -0.319 176.518 176.870 -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 44.383 42.059 -0.107 0.000 1.370 76 L HN 0.578 nan 8.230 nan 0.000 0.416 77 S N 0.483 116.152 115.700 -0.052 0.000 2.478 77 S HA 0.616 5.086 4.470 -0.000 0.000 0.312 77 S C -0.570 173.841 174.600 -0.314 0.000 1.094 77 S CA -0.548 57.574 58.200 -0.129 0.000 1.081 77 S CB 1.150 64.328 63.200 -0.038 0.000 1.007 77 S HN 0.638 nan 8.310 nan 0.000 0.475 78 S N 4.699 120.168 115.700 -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 0.231 119.381 119.070 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 -1.045 55.085 56.048 0.137 0.000 1.146 79 H CB 2.053 31.884 29.762 0.115 0.000 1.839 79 H HN 0.950 nan 8.280 nan 0.000 0.557 80 A N 1.593 124.564 122.820 0.253 0.000 2.547 80 A HA 0.476 4.796 4.320 -0.000 0.000 0.279 80 A C -0.558 177.062 177.584 0.060 0.000 1.088 80 A CA -0.568 51.521 52.037 0.087 0.000 0.796 80 A CB 0.367 19.421 19.000 0.090 0.000 1.308 80 A HN 0.443 nan 8.150 nan 0.000 0.415 81 V N 0.638 120.588 119.914 0.060 0.000 2.994 81 V HA 0.947 5.067 4.120 -0.000 0.000 0.318 81 V C 0.418 176.539 176.094 0.044 0.000 1.085 81 V CA -0.230 62.100 62.300 0.051 0.000 0.998 81 V CB 1.497 33.346 31.823 0.043 0.000 1.063 81 V HN 1.307 nan 8.190 nan 0.000 0.447 82 S N 0.562 116.290 115.700 0.046 0.000 2.652 82 S HA 0.404 4.874 4.470 -0.000 0.000 0.270 82 S C 0.681 175.318 174.600 0.061 0.000 1.243 82 S CA -0.388 57.857 58.200 0.076 0.000 0.999 82 S CB 1.361 64.625 63.200 0.107 0.000 0.973 82 S HN 0.788 nan 8.310 nan 0.000 0.544 83 E N 2.034 122.281 120.200 0.078 0.000 2.077 83 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 83 E C 2.056 178.671 176.600 0.026 0.000 0.989 83 E CA 1.511 57.937 56.400 0.042 0.000 0.800 83 E CB -0.699 29.032 29.700 0.051 0.000 0.746 83 E HN 0.876 nan 8.360 nan 0.000 0.452 84 N N 0.049 118.789 118.700 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 1.689 54.771 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 -1.067 107.737 108.800 0.006 0.000 2.227 85 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.168 85 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.168 85 G C -0.354 174.537 174.900 -0.014 0.000 1.006 85 G CA 0.011 45.099 45.100 -0.021 0.000 0.684 85 G HN 0.429 nan 8.290 nan 0.000 0.489 86 S N 1.754 117.454 115.700 -0.000 0.000 2.541 86 S HA 0.667 5.137 4.470 -0.000 0.000 0.283 86 S C -2.378 172.226 174.600 0.007 0.000 1.196 86 S CA -0.977 57.220 58.200 -0.005 0.000 1.062 86 S CB 2.148 65.338 63.200 -0.017 0.000 1.009 86 S HN 0.131 nan 8.310 nan 0.000 0.502 87 P HA 0.158 nan 4.420 nan 0.000 0.272 87 P C 0.170 177.487 177.300 0.027 0.000 1.223 87 P CA -0.284 62.834 63.100 0.029 0.000 0.784 87 P CB 0.642 32.359 31.700 0.029 0.000 0.923 88 V N -0.174 119.766 119.914 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 0.872 63.194 62.300 0.036 0.000 1.181 88 V CB -0.341 31.507 31.823 0.042 0.000 0.941 88 V HN 0.376 nan 8.190 nan 0.000 0.471 89 E N 0.868 121.109 120.200 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 55.657 56.400 0.070 0.000 0.779 89 E CB 2.332 32.081 29.700 0.081 0.000 1.172 89 E HN 0.217 nan 8.360 nan 0.000 0.409 90 E N 2.742 122.980 120.200 0.063 0.000 2.465 90 E HA 0.099 4.449 4.350 -0.000 0.000 0.260 90 E C -2.194 174.449 176.600 0.073 0.000 0.980 90 E CA -1.091 55.348 56.400 0.066 0.000 0.927 90 E CB 0.138 29.866 29.700 0.046 0.000 0.934 90 E HN 0.121 nan 8.360 nan 0.000 0.459 91 P HA -0.061 nan 4.420 nan 0.000 0.274 91 P C -0.633 176.660 177.300 -0.013 0.000 1.248 91 P CA 0.540 63.668 63.100 0.047 0.000 0.827 91 P CB 0.389 32.151 31.700 0.104 0.000 0.972 92 M N 0.377 119.927 119.600 -0.083 0.000 2.224 92 M HA 0.156 4.636 4.480 -0.000 0.000 0.281 92 M C -0.299 175.958 176.300 -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 0.305 56.683 56.400 -0.036 0.000 0.916 93 E CB 0.866 30.557 29.700 -0.015 0.000 0.947 93 E HN 0.571 nan 8.360 nan 0.000 0.440 94 I N 2.958 123.497 120.570 -0.051 0.000 2.569 94 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 94 I C -0.796 175.284 176.117 -0.063 0.000 1.088 94 I CA -0.611 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 -0.431 174.247 174.700 -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 2.967 123.525 120.570 -0.020 0.000 2.499 96 I HA 0.371 4.541 4.170 -0.000 0.000 0.288 96 I C -0.684 175.481 176.117 0.080 0.000 1.048 96 I CA -0.969 60.328 61.300 -0.005 0.000 1.062 96 I CB 1.882 39.817 38.000 -0.109 0.000 1.238 96 I HN 0.459 nan 8.210 nan 0.000 0.426 97 N N 5.449 124.193 118.700 0.074 0.000 2.400 97 N HA 0.394 5.134 4.740 -0.000 0.000 0.288 97 N C -0.797 174.777 175.510 0.106 0.000 1.024 97 N CA -0.456 52.651 53.050 0.095 0.000 0.894 97 N CB 2.963 41.489 38.487 0.065 0.000 1.173 97 N HN 0.190 nan 8.380 nan 0.000 0.487 98 V N 3.744 123.740 119.914 0.136 0.000 2.334 98 V HA 0.330 4.450 4.120 -0.000 0.000 0.267 98 V C 0.746 176.897 176.094 0.094 0.000 1.040 98 V CA -0.706 61.672 62.300 0.131 0.000 0.866 98 V CB 0.055 31.990 31.823 0.186 0.000 1.019 98 V HN 0.487 nan 8.190 nan 0.000 0.468 99 I N 3.902 124.516 120.570 0.074 0.000 2.533 99 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 99 I C 0.900 177.047 176.117 0.051 0.000 1.109 99 I CA 0.168 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 6.475 126.900 120.400 0.041 0.000 2.400 100 D HA 0.078 4.718 4.640 -0.000 0.000 0.238 100 D C -0.587 175.729 176.300 0.028 0.000 1.157 100 D CA 0.469 54.490 54.000 0.034 0.000 0.889 100 D CB 0.951 41.766 40.800 0.024 0.000 1.199 100 D HN 0.527 nan 8.370 nan 0.000 0.436 101 Q N 1.635 121.451 119.800 0.025 0.000 2.359 101 Q HA 0.142 4.482 4.340 -0.000 0.000 0.274 101 Q C -0.898 175.110 176.000 0.014 0.000 1.074 101 Q CA -0.841 54.974 55.803 0.020 0.000 0.810 101 Q CB 1.554 30.307 28.738 0.025 0.000 1.342 101 Q HN 0.344 nan 8.270 nan 0.000 0.427 102 N N 1.785 120.490 118.700 0.008 0.000 2.814 102 N HA -0.061 4.679 4.740 -0.000 0.000 0.304 102 N C -0.508 175.004 175.510 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 -1.416 118.988 120.400 0.007 0.000 2.407 103 D HA 0.071 4.711 4.640 -0.000 0.000 0.208 103 D C -0.393 175.910 176.300 0.005 0.000 1.083 103 D CA 0.037 54.042 54.000 0.009 0.000 0.844 103 D CB 0.006 40.816 40.800 0.016 0.000 0.967 103 D HN 0.085 nan 8.370 nan 0.000 0.506 104 N N 1.122 119.822 118.700 -0.000 0.000 2.392 104 N HA 0.235 4.975 4.740 -0.000 0.000 0.283 104 N C -0.799 174.704 175.510 -0.012 0.000 1.003 104 N CA -0.523 52.525 53.050 -0.004 0.000 0.892 104 N CB 2.286 40.769 38.487 -0.005 0.000 1.193 104 N HN 0.107 nan 8.380 nan 0.000 0.487 105 R N 2.875 123.370 120.500 -0.008 0.000 2.490 105 R HA 0.372 4.712 4.340 -0.000 0.000 0.278 105 R C -2.050 174.236 176.300 -0.023 0.000 1.069 105 R CA -0.932 55.160 56.100 -0.013 0.000 1.080 105 R CB 0.631 30.932 30.300 0.003 0.000 1.030 105 R HN 0.322 nan 8.270 nan 0.000 0.491 106 P HA 0.165 nan 4.420 nan 0.000 0.286 106 P C -1.520 175.748 177.300 -0.054 0.000 1.293 106 P CA -0.277 62.776 63.100 -0.078 0.000 0.770 106 P CB 0.668 32.279 31.700 -0.149 0.000 1.206 107 K N -0.424 119.932 120.400 -0.073 0.000 2.561 107 K HA 0.384 4.704 4.320 -0.000 0.000 0.254 107 K C -1.149 175.463 176.600 0.021 0.000 0.942 107 K CA -0.571 55.724 56.287 0.014 0.000 0.818 107 K CB 0.982 33.514 32.500 0.054 0.000 1.306 107 K HN 0.122 nan 8.250 nan 0.000 0.435 108 F N 2.172 122.199 119.950 0.127 0.000 2.518 108 F HA 0.035 4.562 4.527 -0.000 0.000 0.359 108 F C 1.961 177.881 175.800 0.200 0.000 1.118 108 F CA 0.484 58.612 58.000 0.214 0.000 1.287 108 F CB 1.174 40.350 39.000 0.293 0.000 1.132 108 F HN 0.692 nan 8.300 nan 0.000 0.587 109 T N 1.221 116.047 114.554 0.453 0.000 2.624 109 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 109 T C 0.684 175.445 174.700 0.101 0.000 1.041 109 T CA 1.546 63.807 62.100 0.268 0.000 1.159 109 T CB -0.160 68.902 68.868 0.323 0.000 0.863 109 T HN 0.542 nan 8.240 nan 0.000 0.434 110 Q N -0.386 119.375 119.800 -0.064 0.000 2.333 110 Q HA 0.388 4.728 4.340 -0.000 0.000 0.266 110 Q C 0.338 176.228 176.000 -0.183 0.000 1.053 110 Q CA -0.675 54.912 55.803 -0.360 0.000 0.890 110 Q CB 1.000 29.172 28.738 -0.942 0.000 1.337 110 Q HN -0.029 nan 8.270 nan 0.000 0.474 111 D N -0.520 119.772 120.400 -0.181 0.000 2.346 111 D HA 0.064 4.704 4.640 -0.000 0.000 0.206 111 D C -0.596 175.641 176.300 -0.105 0.000 1.001 111 D CA 0.345 54.298 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 -1.793 117.995 119.914 -0.211 0.000 2.789 112 V HA 0.467 4.587 4.120 -0.000 0.000 0.300 112 V C -0.994 174.970 176.094 -0.216 0.000 1.184 112 V CA -1.133 61.102 62.300 -0.108 0.000 0.930 112 V CB 0.713 32.492 31.823 -0.072 0.000 1.041 112 V HN -0.143 nan 8.190 nan 0.000 0.430 113 F N 2.350 122.255 119.950 -0.075 0.000 2.458 113 F HA 0.834 5.361 4.527 0.000 0.000 0.330 113 F C 0.745 176.509 175.800 -0.060 0.000 1.082 113 F CA -0.674 57.293 58.000 -0.056 0.000 0.995 113 F CB 2.128 41.095 39.000 -0.056 0.000 1.170 113 F HN 0.422 nan 8.300 nan 0.000 0.478 114 R N 0.565 121.135 120.500 0.116 0.000 2.854 114 R HA 0.838 5.178 4.340 -0.000 0.000 0.271 114 R C -0.456 175.869 176.300 0.042 0.000 0.996 114 R CA -1.115 55.017 56.100 0.052 0.000 0.961 114 R CB 2.250 32.561 30.300 0.019 0.000 1.182 114 R HN 0.894 nan 8.270 nan 0.000 0.479 115 G N -0.385 108.424 108.800 0.016 0.000 2.684 115 G HA2 0.537 4.497 3.960 -0.000 0.000 0.290 115 G HA3 0.537 4.497 3.960 -0.000 0.000 0.290 115 G C -1.480 173.429 174.900 0.015 0.000 1.425 115 G CA -0.535 44.568 45.100 0.005 0.000 0.822 115 G HN 0.570 nan 8.290 nan 0.000 0.482 116 S N -1.616 114.097 115.700 0.022 0.000 2.537 116 S HA 0.807 5.277 4.470 -0.000 0.000 0.271 116 S C -1.114 173.515 174.600 0.049 0.000 1.148 116 S CA -0.534 57.691 58.200 0.042 0.000 0.868 116 S CB 1.647 64.869 63.200 0.037 0.000 1.115 116 S HN 1.671 nan 8.310 nan 0.000 0.461 117 V N 0.410 120.367 119.914 0.072 0.000 3.178 117 V HA 0.665 4.785 4.120 -0.000 0.000 0.302 117 V C -0.311 175.830 176.094 0.078 0.000 1.262 117 V CA -1.178 61.166 62.300 0.074 0.000 1.030 117 V CB 1.871 33.751 31.823 0.096 0.000 1.074 117 V HN 1.152 nan 8.190 nan 0.000 0.438 118 R N 1.128 121.666 120.500 0.064 0.000 2.410 118 R HA 0.314 4.654 4.340 -0.000 0.000 0.288 118 R C 1.534 177.874 176.300 0.066 0.000 1.051 118 R CA 0.134 56.271 56.100 0.062 0.000 1.021 118 R CB 1.199 31.528 30.300 0.048 0.000 1.032 118 R HN 0.999 nan 8.270 nan 0.000 0.481 119 E N 2.810 123.055 120.200 0.074 0.000 2.118 119 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 119 E C 1.011 177.643 176.600 0.053 0.000 0.992 119 E CA 1.509 57.955 56.400 0.076 0.000 0.804 119 E CB -0.178 29.575 29.700 0.088 0.000 0.741 119 E HN 0.832 nan 8.360 nan 0.000 0.458 120 G N 2.051 110.880 108.800 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 0.324 45.446 45.100 0.036 0.000 0.776 120 G HN 0.269 nan 8.290 nan 0.000 0.541 121 V N -2.181 117.747 119.914 0.024 0.000 3.237 121 V HA 0.322 4.442 4.120 -0.000 0.000 0.305 121 V C -0.073 176.022 176.094 0.002 0.000 1.096 121 V CA -0.860 61.449 62.300 0.016 0.000 1.130 121 V CB 0.917 32.752 31.823 0.021 0.000 1.048 121 V HN 0.250 nan 8.190 nan 0.000 0.484 122 Q N 2.835 122.635 119.800 -0.000 0.000 2.259 122 Q HA 0.395 4.735 4.340 -0.000 0.000 0.246 122 Q C -2.352 173.637 176.000 -0.018 0.000 0.920 122 Q CA -1.841 53.956 55.803 -0.009 0.000 0.895 122 Q CB 1.317 30.052 28.738 -0.005 0.000 1.220 122 Q HN 0.705 nan 8.270 nan 0.000 0.439 123 P HA -0.070 nan 4.420 nan 0.000 0.264 123 P C 0.180 177.466 177.300 -0.023 0.000 1.193 123 P CA 0.717 63.793 63.100 -0.040 0.000 0.763 123 P CB 0.418 32.089 31.700 -0.048 0.000 0.810 124 G N 1.473 110.262 108.800 -0.018 0.000 2.145 124 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.176 124 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.176 124 G C -0.127 174.775 174.900 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 0.815 115.375 114.554 0.009 0.000 2.771 125 T HA 0.501 4.851 4.350 -0.000 0.000 0.281 125 T C 0.204 174.922 174.700 0.030 0.000 0.982 125 T CA -0.327 61.783 62.100 0.018 0.000 0.978 125 T CB 1.880 70.759 68.868 0.019 0.000 0.930 125 T HN 0.438 nan 8.240 nan 0.000 0.447 126 Q N 3.502 123.315 119.800 0.021 0.000 2.271 126 Q HA 0.259 4.599 4.340 -0.000 0.000 0.273 126 Q C 0.283 176.295 176.000 0.021 0.000 1.051 126 Q CA -0.156 55.657 55.803 0.018 0.000 0.901 126 Q CB 0.804 29.546 28.738 0.006 0.000 1.174 126 Q HN 0.620 nan 8.270 nan 0.000 0.385 127 V N 4.791 124.717 119.914 0.019 0.000 3.064 127 V HA 0.205 4.325 4.120 -0.000 0.000 0.215 127 V C 0.752 176.836 176.094 -0.018 0.000 1.167 127 V CA 0.401 62.707 62.300 0.011 0.000 1.286 127 V CB 0.318 32.150 31.823 0.017 0.000 1.103 127 V HN 0.917 nan 8.190 nan 0.000 0.510 128 M N 0.205 119.773 119.600 -0.053 0.000 2.356 128 M HA 0.710 5.190 4.480 -0.000 0.000 0.219 128 M C -0.460 175.795 176.300 -0.075 0.000 1.004 128 M CA 0.082 55.346 55.300 -0.060 0.000 1.427 128 M CB 1.417 33.961 32.600 -0.093 0.000 1.197 128 M HN 0.536 nan 8.290 nan 0.000 0.739 129 A N 0.054 122.817 122.820 -0.095 0.000 2.547 129 A HA 0.647 4.967 4.320 -0.000 0.000 0.298 129 A C -1.719 175.735 177.584 -0.217 0.000 1.062 129 A CA -0.626 51.331 52.037 -0.134 0.000 0.748 129 A CB 1.071 20.034 19.000 -0.063 0.000 1.288 129 A HN 0.457 nan 8.150 nan 0.000 0.396 130 V N 1.336 121.012 119.914 -0.396 0.000 2.876 130 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 130 V C 0.106 175.921 176.094 -0.465 0.000 1.085 130 V CA -0.449 61.427 62.300 -0.707 0.000 0.945 130 V CB 2.370 33.678 31.823 -0.858 0.000 1.017 130 V HN 1.036 nan 8.190 nan 0.000 0.428 131 S N 1.497 117.087 115.700 -0.182 0.000 2.634 131 S HA 1.013 5.483 4.470 -0.000 0.000 0.296 131 S C -0.435 174.315 174.600 0.250 0.000 1.104 131 S CA -0.186 58.077 58.200 0.105 0.000 0.920 131 S CB 2.101 65.431 63.200 0.217 0.000 1.111 131 S HN 1.419 nan 8.310 nan 0.000 0.493 132 A N 0.827 123.746 122.820 0.165 0.000 2.549 132 A HA 0.768 5.088 4.320 -0.000 0.000 0.291 132 A C -0.920 176.660 177.584 -0.007 0.000 1.034 132 A CA -0.713 51.328 52.037 0.007 0.000 0.655 132 A CB 0.664 19.426 19.000 -0.397 0.000 1.299 132 A HN 1.065 nan 8.150 nan 0.000 0.427 133 T N -1.199 113.324 114.554 -0.051 0.000 2.843 133 T HA 0.765 5.115 4.350 -0.000 0.000 0.302 133 T C -1.688 172.975 174.700 -0.061 0.000 1.232 133 T CA -0.576 61.499 62.100 -0.043 0.000 1.009 133 T CB 2.169 71.035 68.868 -0.003 0.000 1.254 133 T HN 0.767 nan 8.240 nan 0.000 0.504 134 D N -0.524 119.844 120.400 -0.054 0.000 2.619 134 D HA 0.327 4.967 4.640 -0.000 0.000 0.241 134 D C 0.299 176.581 176.300 -0.029 0.000 1.087 134 D CA -0.504 53.467 54.000 -0.049 0.000 0.851 134 D CB 2.666 43.428 40.800 -0.063 0.000 1.474 134 D HN 0.730 nan 8.370 nan 0.000 0.478 135 E N 1.161 121.349 120.200 -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 56.333 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 1.179 121.573 120.400 -0.011 0.000 2.372 136 D HA -0.056 4.584 4.640 -0.000 0.000 0.243 136 D C 0.071 176.368 176.300 -0.006 0.000 1.297 136 D CA 0.148 54.145 54.000 -0.006 0.000 0.958 136 D CB 0.312 41.108 40.800 -0.007 0.000 1.114 136 D HN -0.019 nan 8.370 nan 0.000 0.496 137 D N -0.956 119.443 120.400 -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 0.256 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 2.014 120.709 118.700 -0.008 0.000 2.423 138 N HA 0.126 4.866 4.740 -0.000 0.000 0.262 138 N C -0.049 175.456 175.510 -0.008 0.000 1.467 138 N CA -0.219 52.823 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 0.161 61.460 61.300 -0.001 0.000 1.244 139 I CB 0.763 38.764 38.000 0.002 0.000 1.417 139 I HN 0.027 nan 8.210 nan 0.000 0.501 140 D N -0.271 120.130 120.400 0.001 0.000 2.412 140 D HA 0.150 4.790 4.640 -0.000 0.000 0.326 140 D C 0.372 176.672 176.300 0.001 0.000 1.209 140 D CA 0.552 54.554 54.000 0.003 0.000 0.876 140 D CB 1.049 41.853 40.800 0.007 0.000 1.344 140 D HN 0.314 nan 8.370 nan 0.000 0.503 141 S N -0.686 115.012 115.700 -0.002 0.000 2.806 141 S HA 0.576 5.046 4.470 -0.000 0.000 0.306 141 S C 0.079 174.672 174.600 -0.012 0.000 1.167 141 S CA -0.627 57.570 58.200 -0.005 0.000 0.847 141 S CB 1.238 64.436 63.200 -0.003 0.000 1.216 141 S HN -0.027 nan 8.310 nan 0.000 0.532 142 L N 0.983 122.197 121.223 -0.017 0.000 2.808 142 L HA 0.329 4.669 4.340 -0.000 0.000 0.246 142 L C 0.768 177.619 176.870 -0.031 0.000 1.153 142 L CA -0.172 54.652 54.840 -0.026 0.000 0.956 142 L CB -0.471 41.572 42.059 -0.027 0.000 1.270 142 L HN 0.537 nan 8.230 nan 0.000 0.528 143 N N 1.324 120.010 118.700 -0.023 0.000 2.513 143 N HA -0.110 4.630 4.740 -0.000 0.000 0.187 143 N C 1.488 176.979 175.510 -0.032 0.000 1.056 143 N CA 1.263 54.299 53.050 -0.023 0.000 0.907 143 N CB -0.071 38.409 38.487 -0.012 0.000 0.954 143 N HN 0.351 nan 8.380 nan 0.000 0.445 144 G N -0.821 107.958 108.800 -0.036 0.000 3.979 144 G HA2 0.267 4.227 3.960 -0.000 0.000 0.287 144 G HA3 0.267 4.227 3.960 -0.000 0.000 0.287 144 G C -0.353 174.510 174.900 -0.061 0.000 1.011 144 G CA -0.103 44.970 45.100 -0.045 0.000 0.818 144 G HN 0.189 nan 8.290 nan 0.000 0.470 145 V N -0.452 119.419 119.914 -0.071 0.000 2.435 145 V HA 0.793 4.913 4.120 -0.000 0.000 0.290 145 V C -0.525 175.483 176.094 -0.142 0.000 1.030 145 V CA -1.180 61.066 62.300 -0.091 0.000 0.881 145 V CB 1.627 33.410 31.823 -0.066 0.000 0.983 145 V HN -0.091 nan 8.190 nan 0.000 0.445 146 L N 3.821 124.911 121.223 -0.221 0.000 2.365 146 L HA 0.736 5.076 4.340 -0.000 0.000 0.267 146 L C 0.381 177.001 176.870 -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 43.099 42.059 -0.537 0.000 1.267 146 L HN 0.938 nan 8.230 nan 0.000 0.457 147 S N -0.235 115.205 115.700 -0.432 0.000 2.672 147 S HA 0.627 5.097 4.470 -0.000 0.000 0.291 147 S C -1.072 173.335 174.600 -0.321 0.000 1.145 147 S CA -0.434 57.582 58.200 -0.307 0.000 1.013 147 S CB 0.403 63.520 63.200 -0.138 0.000 1.017 147 S HN 0.311 nan 8.310 nan 0.000 0.487 148 Y N 2.553 122.833 120.300 -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 -0.084 58.003 58.100 -0.021 0.000 1.280 148 Y CB 1.503 39.946 38.460 -0.029 0.000 1.248 148 Y HN 0.793 nan 8.280 nan 0.000 0.508 149 S N 0.841 116.656 115.700 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 1.271 64.516 63.200 0.076 0.000 1.130 149 S HN 0.514 nan 8.310 nan 0.000 0.471 150 I N 0.899 121.510 120.570 0.067 0.000 2.730 150 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 150 I C -0.793 175.354 176.117 0.048 0.000 1.089 150 I CA -1.081 60.250 61.300 0.051 0.000 1.041 150 I CB 2.078 40.102 38.000 0.041 0.000 1.235 150 I HN 0.671 nan 8.210 nan 0.000 0.423 151 L N 2.015 123.264 121.223 0.043 0.000 3.521 151 L HA 0.537 4.877 4.340 -0.000 0.000 0.323 151 L C -0.104 176.789 176.870 0.038 0.000 1.268 151 L CA -0.341 54.523 54.840 0.040 0.000 1.064 151 L CB -0.274 41.809 42.059 0.039 0.000 1.455 151 L HN 0.603 nan 8.230 nan 0.000 0.622 152 K N 1.756 122.181 120.400 0.042 0.000 2.372 152 K HA 0.239 4.559 4.320 -0.000 0.000 0.354 152 K C -1.514 175.124 176.600 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 2.521 122.378 119.800 0.096 0.000 2.257 153 Q HA 0.315 4.655 4.340 -0.000 0.000 0.255 153 Q C -0.462 175.636 176.000 0.163 0.000 0.920 153 Q CA -0.786 55.109 55.803 0.154 0.000 0.927 153 Q CB 1.859 30.736 28.738 0.230 0.000 1.229 153 Q HN 0.342 nan 8.270 nan 0.000 0.433 154 D N 2.789 123.285 120.400 0.160 0.000 2.376 154 D HA 0.202 4.842 4.640 -0.000 0.000 0.268 154 D C -2.056 174.318 176.300 0.124 0.000 1.252 154 D CA -1.434 52.631 54.000 0.108 0.000 1.041 154 D CB 0.059 40.892 40.800 0.055 0.000 1.109 154 D HN 0.510 nan 8.370 nan 0.000 0.552 155 P HA -0.182 nan 4.420 nan 0.000 0.014 155 P C -0.798 176.548 177.300 0.077 0.000 0.540 155 P CA 0.691 63.804 63.100 0.022 0.000 1.035 155 P CB -0.611 30.998 31.700 -0.152 0.000 1.908 156 E N -0.026 120.211 120.200 0.061 0.000 2.401 156 E HA -0.084 4.266 4.350 -0.000 0.000 0.203 156 E C 0.349 176.942 176.600 -0.012 0.000 1.229 156 E CA 0.578 57.004 56.400 0.044 0.000 1.000 156 E CB -0.075 29.646 29.700 0.034 0.000 1.052 156 E HN 0.302 nan 8.360 nan 0.000 0.497 157 E N -1.879 118.275 120.200 -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 -0.590 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 -0.086 177.124 177.300 -0.150 0.000 1.153 158 P CA 1.380 64.305 63.100 -0.291 0.000 0.853 158 P CB 0.072 31.641 31.700 -0.219 0.000 0.788 159 I N -7.349 113.133 120.570 -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 -2.698 58.542 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 0.315 nan 4.420 nan 0.000 0.288 160 P C -1.146 176.127 177.300 -0.045 0.000 1.682 160 P CA -0.097 62.984 63.100 -0.033 0.000 1.270 160 P CB -0.415 31.283 31.700 -0.003 0.000 1.596 161 N N 0.080 118.718 118.700 -0.104 0.000 2.646 161 N HA 0.230 4.970 4.740 -0.000 0.000 0.303 161 N C 1.003 176.369 175.510 -0.239 0.000 1.921 161 N CA -0.348 52.637 53.050 -0.108 0.000 0.872 161 N CB 0.241 38.683 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 55.538 54.840 -0.924 0.000 0.775 162 L CB -0.316 40.820 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 1.405 40.345 39.000 -0.099 0.000 1.385 163 F HN -0.491 nan 8.300 nan 0.000 0.489 164 T N 0.427 115.088 114.554 0.179 0.000 2.816 164 T HA 0.742 5.092 4.350 -0.000 0.000 0.299 164 T C -1.944 172.793 174.700 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 70.603 68.868 0.046 0.000 1.289 164 T HN 0.708 nan 8.240 nan 0.000 0.508 165 I N 2.507 123.099 120.570 0.036 0.000 2.647 165 I HA 0.484 4.654 4.170 -0.000 0.000 0.295 165 I C -0.667 175.464 176.117 0.024 0.000 1.078 165 I CA -0.961 60.344 61.300 0.009 0.000 1.048 165 I CB 1.951 39.950 38.000 -0.002 0.000 1.239 165 I HN 0.563 nan 8.210 nan 0.000 0.421 166 N N 6.470 125.174 118.700 0.007 0.000 2.405 166 N HA 0.089 4.829 4.740 -0.000 0.000 0.260 166 N C 0.944 176.509 175.510 0.090 0.000 1.152 166 N CA 0.349 53.418 53.050 0.031 0.000 0.948 166 N CB 0.914 39.406 38.487 0.010 0.000 1.111 166 N HN 0.715 nan 8.380 nan 0.000 0.485 167 R N 3.194 123.756 120.500 0.104 0.000 2.117 167 R HA -0.196 4.144 4.340 -0.000 0.000 0.243 167 R C 1.498 177.927 176.300 0.215 0.000 1.143 167 R CA 1.775 57.965 56.100 0.149 0.000 0.968 167 R CB 0.101 30.441 30.300 0.067 0.000 0.863 167 R HN 0.725 nan 8.270 nan 0.000 0.444 168 E N -0.883 119.408 120.200 0.153 0.000 2.060 168 E HA -0.110 4.240 4.350 -0.000 0.000 0.189 168 E C 1.569 178.318 176.600 0.248 0.000 0.974 168 E CA 1.583 58.070 56.400 0.145 0.000 0.808 168 E CB 0.124 29.866 29.700 0.070 0.000 0.768 168 E HN 0.512 nan 8.360 nan 0.000 0.453 169 T N -3.496 111.148 114.554 0.150 0.000 3.051 169 T HA 0.219 4.569 4.350 -0.000 0.000 0.255 169 T C 1.501 176.093 174.700 -0.181 0.000 1.085 169 T CA 0.666 62.797 62.100 0.052 0.000 1.109 169 T CB 0.452 69.318 68.868 -0.004 0.000 0.921 169 T HN 0.339 nan 8.240 nan 0.000 0.488 170 G N 1.018 109.653 108.800 -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 1.094 120.884 119.914 -0.206 0.000 2.649 171 V HA 0.613 4.733 4.120 -0.000 0.000 0.292 171 V C 1.025 177.059 176.094 -0.099 0.000 1.055 171 V CA -0.414 61.803 62.300 -0.139 0.000 1.023 171 V CB 1.624 33.400 31.823 -0.078 0.000 0.992 171 V HN 0.305 nan 8.190 nan 0.000 0.480 172 I N 2.426 122.940 120.570 -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 3.941 119.678 115.700 0.062 0.000 2.595 173 S HA 0.513 4.983 4.470 -0.000 0.000 0.281 173 S C -1.055 173.646 174.600 0.168 0.000 1.117 173 S CA -0.551 57.702 58.200 0.089 0.000 0.873 173 S CB 2.166 65.390 63.200 0.041 0.000 1.108 173 S HN 0.413 nan 8.310 nan 0.000 0.477 174 L N 2.745 124.041 121.223 0.121 0.000 2.360 174 L HA 0.484 4.824 4.340 -0.000 0.000 0.276 174 L C 0.330 177.166 176.870 -0.057 0.000 1.121 174 L CA 0.618 55.468 54.840 0.016 0.000 0.845 174 L CB 0.058 42.104 42.059 -0.022 0.000 1.143 174 L HN 0.855 nan 8.230 nan 0.000 0.452 175 I N 2.692 123.180 120.570 -0.137 0.000 3.300 175 I HA 0.307 4.477 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 0.488 61.725 61.300 -0.105 0.000 1.431 175 I CB 0.356 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 0.053 108.722 108.800 -0.218 0.000 2.543 176 G HA2 0.468 4.428 3.960 -0.000 0.000 0.267 176 G HA3 0.468 4.428 3.960 -0.000 0.000 0.267 176 G C -0.711 174.085 174.900 -0.174 0.000 1.406 176 G CA 0.373 45.357 45.100 -0.193 0.000 1.048 176 G HN 0.257 nan 8.290 nan 0.000 0.548 177 T N -4.915 109.550 114.554 -0.149 0.000 3.032 177 T HA 0.581 4.931 4.350 -0.000 0.000 0.312 177 T C 0.078 174.722 174.700 -0.093 0.000 1.078 177 T CA 0.323 62.358 62.100 -0.107 0.000 1.028 177 T CB 1.636 70.465 68.868 -0.066 0.000 1.091 177 T HN 2.100 nan 8.240 nan 0.000 0.457 178 G N 2.079 110.838 108.800 -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 -0.218 174.689 174.900 0.011 0.000 0.989 178 G CA -0.774 44.308 45.100 -0.030 0.000 0.871 178 G HN 0.892 nan 8.290 nan 0.000 0.591 179 L N 1.606 122.834 121.223 0.008 0.000 2.462 179 L HA 0.484 4.824 4.340 -0.000 0.000 0.272 179 L C -0.285 176.665 176.870 0.133 0.000 1.166 179 L CA 0.160 55.047 54.840 0.078 0.000 0.880 179 L CB 0.913 43.001 42.059 0.049 0.000 1.142 179 L HN 0.164 nan 8.230 nan 0.000 0.473 180 D N 2.504 123.036 120.400 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 1.522 42.439 40.800 0.195 0.000 1.462 180 D HN 0.366 nan 8.370 nan 0.000 0.559 181 R N 2.469 123.045 120.500 0.126 0.000 2.075 181 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 181 R C 0.768 177.097 176.300 0.047 0.000 1.126 181 R CA 1.456 57.613 56.100 0.096 0.000 0.963 181 R CB 0.244 30.586 30.300 0.070 0.000 0.858 181 R HN 0.408 nan 8.270 nan 0.000 0.435 182 E N 0.169 120.390 120.200 0.035 0.000 2.209 182 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 182 E C 1.662 178.211 176.600 -0.085 0.000 0.993 182 E CA 1.436 57.830 56.400 -0.010 0.000 0.819 182 E CB 0.124 29.828 29.700 0.006 0.000 0.745 182 E HN 0.336 nan 8.360 nan 0.000 0.477 183 K N -1.143 119.182 120.400 -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 56.243 56.287 -0.467 0.000 0.935 183 K CB 0.684 32.828 32.500 -0.593 0.000 1.089 183 K HN -0.003 nan 8.250 nan 0.000 0.496 184 F N 1.534 121.479 119.950 -0.008 0.000 2.771 184 F HA 0.263 4.790 4.527 -0.000 0.000 0.365 184 F C -2.093 173.677 175.800 -0.051 0.000 1.169 184 F CA -1.722 56.229 58.000 -0.081 0.000 1.093 184 F CB 1.830 40.771 39.000 -0.098 0.000 1.363 184 F HN -0.094 nan 8.300 nan 0.000 0.496 185 P HA -0.018 nan 4.420 nan 0.000 0.239 185 P C -0.174 177.173 177.300 0.078 0.000 1.188 185 P CA 0.725 63.873 63.100 0.081 0.000 0.794 185 P CB 1.237 32.957 31.700 0.032 0.000 0.937 186 E N -0.255 119.925 120.200 -0.033 0.000 2.317 186 E HA 0.269 4.619 4.350 -0.000 0.000 0.270 186 E C -1.376 175.166 176.600 -0.097 0.000 0.899 186 E CA -0.674 55.729 56.400 0.006 0.000 0.814 186 E CB 1.041 30.745 29.700 0.007 0.000 1.296 186 E HN -0.119 nan 8.360 nan 0.000 0.404 187 Y N 1.270 121.620 120.300 0.084 0.000 2.320 187 Y HA 0.367 4.917 4.550 -0.000 0.000 0.324 187 Y C 0.414 176.320 175.900 0.010 0.000 1.190 187 Y CA -0.319 57.824 58.100 0.073 0.000 1.215 187 Y CB 2.007 40.551 38.460 0.140 0.000 1.221 187 Y HN 0.243 nan 8.280 nan 0.000 0.486 188 T N 4.828 119.472 114.554 0.150 0.000 2.892 188 T HA 0.558 4.908 4.350 -0.000 0.000 0.311 188 T C -0.819 173.916 174.700 0.058 0.000 1.033 188 T CA -0.762 61.376 62.100 0.063 0.000 0.991 188 T CB -0.195 68.692 68.868 0.031 0.000 0.981 188 T HN 0.491 nan 8.240 nan 0.000 0.457 189 L N 0.495 121.722 121.223 0.008 0.000 2.334 189 L HA 0.861 5.201 4.340 -0.000 0.000 0.273 189 L C -0.241 176.609 176.870 -0.033 0.000 1.013 189 L CA -1.011 53.827 54.840 -0.004 0.000 0.816 189 L CB 1.417 43.450 42.059 -0.043 0.000 1.278 189 L HN 0.267 nan 8.230 nan 0.000 0.431 190 T N 2.351 116.896 114.554 -0.015 0.000 2.767 190 T HA 0.533 4.883 4.350 -0.000 0.000 0.288 190 T C 0.106 174.797 174.700 -0.014 0.000 0.963 190 T CA -0.531 61.552 62.100 -0.027 0.000 1.019 190 T CB 1.591 70.456 68.868 -0.005 0.000 0.923 190 T HN 0.607 nan 8.240 nan 0.000 0.468 191 V N 1.536 121.427 119.914 -0.037 0.000 2.994 191 V HA 0.786 4.906 4.120 -0.000 0.000 0.318 191 V C -0.686 175.522 176.094 0.191 0.000 1.085 191 V CA -0.972 61.361 62.300 0.055 0.000 0.998 191 V CB 1.963 33.813 31.823 0.045 0.000 1.063 191 V HN 0.869 nan 8.190 nan 0.000 0.447 192 Q N 1.168 121.147 119.800 0.297 0.000 2.379 192 Q HA 0.778 5.118 4.340 -0.000 0.000 0.278 192 Q C -1.417 174.725 176.000 0.237 0.000 1.068 192 Q CA -0.667 55.331 55.803 0.324 0.000 0.816 192 Q CB 2.483 31.316 28.738 0.159 0.000 1.387 192 Q HN 1.374 nan 8.270 nan 0.000 0.413 193 A N 1.775 124.639 122.820 0.072 0.000 2.386 193 A HA 0.866 5.186 4.320 -0.000 0.000 0.311 193 A C -1.067 176.418 177.584 -0.165 0.000 1.068 193 A CA -0.382 51.550 52.037 -0.176 0.000 0.743 193 A CB 2.147 20.877 19.000 -0.450 0.000 1.258 193 A HN 0.634 nan 8.150 nan 0.000 0.429 194 T N 0.933 115.367 114.554 -0.200 0.000 2.906 194 T HA 0.419 4.769 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 1.416 121.757 120.400 -0.099 0.000 2.400 195 D HA 0.189 4.829 4.640 -0.000 0.000 0.238 195 D C 0.964 177.221 176.300 -0.071 0.000 1.157 195 D CA 0.079 54.030 54.000 -0.082 0.000 0.889 195 D CB 0.222 40.989 40.800 -0.054 0.000 1.199 195 D HN 0.652 nan 8.370 nan 0.000 0.436 196 L N 1.669 122.854 121.223 -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 0.296 55.105 54.840 -0.051 0.000 0.837 196 L CB -2.048 39.990 42.059 -0.036 0.000 1.689 196 L HN 0.661 nan 8.230 nan 0.000 0.890 197 E N -1.558 118.596 120.200 -0.077 0.000 2.302 197 E HA -0.197 4.153 4.350 -0.000 0.000 0.186 197 E C 1.322 177.883 176.600 -0.065 0.000 1.444 197 E CA 0.651 57.005 56.400 -0.076 0.000 0.671 197 E CB -1.530 28.140 29.700 -0.050 0.000 1.122 197 E HN 1.017 nan 8.360 nan 0.000 0.366 198 G N -0.414 108.336 108.800 -0.082 0.000 2.189 198 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.267 198 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.267 198 G C 0.942 175.818 174.900 -0.040 0.000 0.975 198 G CA 0.889 45.954 45.100 -0.059 0.000 0.644 198 G HN 0.948 nan 8.290 nan 0.000 0.537 199 A N -0.243 122.553 122.820 -0.040 0.000 1.924 199 A HA 0.598 4.918 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 53.751 52.037 -0.027 0.000 0.657 199 A CB -0.638 18.348 19.000 -0.024 0.000 0.852 199 A HN 1.519 nan 8.150 nan 0.000 0.454 200 G N 0.009 108.790 108.800 -0.032 0.000 2.830 200 G HA2 0.354 4.314 3.960 -0.000 0.000 0.172 200 G HA3 0.354 4.314 3.960 -0.000 0.000 0.172 200 G C 0.368 175.254 174.900 -0.023 0.000 1.782 200 G CA 0.116 45.200 45.100 -0.027 0.000 0.900 200 G HN 0.354 nan 8.290 nan 0.000 0.389 201 L N 0.206 121.413 121.223 -0.027 0.000 2.352 201 L HA 0.589 4.929 4.340 -0.000 0.000 0.269 201 L C -0.035 176.820 176.870 -0.025 0.000 1.034 201 L CA -0.696 54.133 54.840 -0.018 0.000 0.806 201 L CB 2.112 44.163 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 0.914 5.384 4.470 -0.000 0.000 0.289 202 S C -0.593 174.034 174.600 0.044 0.000 1.115 202 S CA -0.757 57.447 58.200 0.006 0.000 0.889 202 S CB 2.214 65.425 63.200 0.018 0.000 1.116 202 S HN 0.600 nan 8.310 nan 0.000 0.486 203 V N -2.073 117.896 119.914 0.092 0.000 3.202 203 V HA 0.901 5.021 4.120 -0.000 0.000 0.306 203 V C -1.921 174.385 176.094 0.354 0.000 1.283 203 V CA -1.179 61.234 62.300 0.188 0.000 1.065 203 V CB 1.442 33.383 31.823 0.197 0.000 1.079 203 V HN 0.920 nan 8.190 nan 0.000 0.448 204 E N 0.028 120.437 120.200 0.348 0.000 2.299 204 E HA 0.888 5.238 4.350 -0.000 0.000 0.265 204 E C 0.032 176.532 176.600 -0.166 0.000 0.911 204 E CA 0.014 56.536 56.400 0.203 0.000 0.789 204 E CB 2.027 31.762 29.700 0.059 0.000 1.246 204 E HN 1.214 nan 8.360 nan 0.000 0.427 205 G N 0.249 108.685 108.800 -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 -1.233 173.445 174.900 -0.371 0.000 1.302 205 G CA -0.760 43.799 45.100 -0.902 0.000 0.880 205 G HN 0.244 nan 8.290 nan 0.000 0.574 206 K N -0.939 119.309 120.400 -0.254 0.000 2.575 206 K HA 0.585 4.905 4.320 -0.000 0.000 0.255 206 K C -1.410 175.174 176.600 -0.026 0.000 0.953 206 K CA -0.509 55.713 56.287 -0.109 0.000 0.840 206 K CB 2.298 34.757 32.500 -0.068 0.000 1.303 206 K HN 0.824 nan 8.250 nan 0.000 0.438 207 A N 4.031 126.825 122.820 -0.045 0.000 2.371 207 A HA 0.796 5.116 4.320 -0.000 0.000 0.311 207 A C -1.040 176.522 177.584 -0.035 0.000 1.068 207 A CA -0.666 51.360 52.037 -0.018 0.000 0.744 207 A CB 0.724 19.662 19.000 -0.104 0.000 1.239 207 A HN 0.640 nan 8.150 nan 0.000 0.435 208 I N 2.714 123.278 120.570 -0.010 0.000 2.466 208 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 208 I C -1.049 175.067 176.117 -0.001 0.000 1.026 208 I CA -0.372 60.926 61.300 -0.003 0.000 1.078 208 I CB 1.889 39.894 38.000 0.009 0.000 1.249 208 I HN 0.520 nan 8.210 nan 0.000 0.429 209 I N 5.714 126.292 120.570 0.014 0.000 2.378 209 I HA 0.329 4.499 4.170 -0.000 0.000 0.291 209 I C -0.132 176.054 176.117 0.114 0.000 0.992 209 I CA -0.559 60.762 61.300 0.035 0.000 1.154 209 I CB 1.504 39.484 38.000 -0.034 0.000 1.315 209 I HN 0.500 nan 8.210 nan 0.000 0.448 210 Q N 6.062 125.913 119.800 0.086 0.000 2.214 210 Q HA 0.570 4.910 4.340 -0.000 0.000 0.251 210 Q C -1.044 175.026 176.000 0.118 0.000 0.936 210 Q CA -0.711 55.149 55.803 0.094 0.000 0.894 210 Q CB 2.236 31.006 28.738 0.053 0.000 1.252 210 Q HN 0.601 nan 8.270 nan 0.000 0.448 211 I N 2.803 123.452 120.570 0.132 0.000 2.328 211 I HA 0.165 4.335 4.170 -0.000 0.000 0.287 211 I C 0.578 176.750 176.117 0.091 0.000 1.012 211 I CA -0.416 60.966 61.300 0.136 0.000 1.195 211 I CB 1.615 39.731 38.000 0.194 0.000 1.350 211 I HN 0.500 nan 8.210 nan 0.000 0.464 212 T N 4.281 118.879 114.554 0.073 0.000 2.595 212 T HA -0.084 4.266 4.350 -0.000 0.000 0.339 212 T C 0.068 174.801 174.700 0.056 0.000 1.059 212 T CA 0.096 62.228 62.100 0.054 0.000 1.035 212 T CB 0.487 69.383 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 -0.509 53.521 54.000 0.049 0.000 0.931 213 D CB 1.791 42.615 40.800 0.040 0.000 1.195 213 D HN 0.627 nan 8.370 nan 0.000 0.477 214 A N 1.879 124.735 122.820 0.061 0.000 2.515 214 A HA 0.328 4.648 4.320 -0.000 0.000 0.296 214 A C -0.297 177.335 177.584 0.080 0.000 1.094 214 A CA -0.718 51.358 52.037 0.066 0.000 0.718 214 A CB 1.318 20.355 19.000 0.063 0.000 1.307 214 A HN 0.517 nan 8.150 nan 0.000 0.408 215 N N 0.611 119.369 118.700 0.097 0.000 3.111 215 N HA 0.120 4.860 4.740 -0.000 0.000 0.302 215 N C -0.049 175.537 175.510 0.128 0.000 1.317 215 N CA 0.232 53.366 53.050 0.138 0.000 1.151 215 N CB -0.226 38.371 38.487 0.182 0.000 1.456 215 N HN 0.583 nan 8.380 nan 0.000 0.547 216 D N -1.377 119.072 120.400 0.081 0.000 2.178 216 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 216 D C -0.006 176.302 176.300 0.012 0.000 0.980 216 D CA 1.116 55.145 54.000 0.047 0.000 0.842 216 D CB 0.092 40.918 40.800 0.043 0.000 0.948 216 D HN 0.391 nan 8.370 nan 0.000 0.472 217 N N 0.241 118.958 118.700 0.028 0.000 2.430 217 N HA 0.536 5.276 4.740 -0.000 0.000 0.298 217 N C -0.810 174.669 175.510 -0.052 0.000 1.130 217 N CA -0.578 52.462 53.050 -0.016 0.000 0.894 217 N CB 1.961 40.456 38.487 0.014 0.000 1.209 217 N HN 0.005 nan 8.380 nan 0.000 0.503 218 A N 1.469 124.203 122.820 -0.144 0.000 2.281 218 A HA 0.690 5.010 4.320 -0.000 0.000 0.329 218 A C -2.490 175.028 177.584 -0.111 0.000 1.122 218 A CA -1.509 50.408 52.037 -0.201 0.000 0.850 218 A CB 0.486 19.282 19.000 -0.339 0.000 1.207 218 A HN 0.393 nan 8.150 nan 0.000 0.495 219 P HA 0.521 nan 4.420 nan 0.000 0.284 219 P C -1.071 176.109 177.300 -0.199 0.000 1.253 219 P CA 0.045 63.031 63.100 -0.190 0.000 0.800 219 P CB 0.765 32.301 31.700 -0.273 0.000 0.961 220 I N 3.223 123.677 120.570 -0.194 0.000 2.447 220 I HA 0.281 4.451 4.170 -0.000 0.000 0.287 220 I C -0.290 175.755 176.117 -0.120 0.000 1.023 220 I CA -0.909 60.325 61.300 -0.109 0.000 1.083 220 I CB 1.141 39.128 38.000 -0.022 0.000 1.245 220 I HN 0.223 nan 8.210 nan 0.000 0.434 221 F N 5.031 125.008 119.950 0.046 0.000 2.571 221 F HA -0.068 4.459 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 0.189 39.262 39.000 0.121 0.000 1.049 221 F HN 0.508 nan 8.300 nan 0.000 0.552 222 D N 3.530 124.059 120.400 0.216 0.000 2.378 222 D HA 0.061 4.701 4.640 -0.000 0.000 0.227 222 D C -1.851 174.482 176.300 0.055 0.000 1.012 222 D CA 0.177 54.256 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 0.021 177.313 177.300 -0.013 0.000 1.303 223 P CA -0.414 62.558 63.100 -0.213 0.000 0.972 223 P CB 2.219 33.372 31.700 -0.912 0.000 1.377 224 K N -0.765 119.596 120.400 -0.064 0.000 2.399 224 K HA 0.208 4.528 4.320 -0.000 0.000 0.196 224 K C -0.305 176.261 176.600 -0.056 0.000 1.117 224 K CA 0.733 56.994 56.287 -0.044 0.000 0.965 224 K CB 0.383 32.868 32.500 -0.026 0.000 0.983 224 K HN 0.507 nan 8.250 nan 0.000 0.531 225 T N -1.057 113.471 114.554 -0.043 0.000 2.949 225 T HA 0.477 4.827 4.350 -0.000 0.000 0.300 225 T C -0.683 174.032 174.700 0.026 0.000 0.988 225 T CA -0.811 61.298 62.100 0.015 0.000 0.993 225 T CB 0.414 69.269 68.868 -0.022 0.000 0.984 225 T HN 0.008 nan 8.240 nan 0.000 0.442 226 Y N 1.463 121.712 120.300 -0.085 0.000 2.618 226 Y HA 0.811 5.361 4.550 -0.000 0.000 0.326 226 Y C 1.094 176.961 175.900 -0.056 0.000 1.168 226 Y CA -0.967 57.094 58.100 -0.065 0.000 1.269 226 Y CB 2.278 40.693 38.460 -0.075 0.000 1.388 226 Y HN 0.902 nan 8.280 nan 0.000 0.528 227 T N -1.152 113.497 114.554 0.159 0.000 2.932 227 T HA 0.860 5.210 4.350 -0.000 0.000 0.318 227 T C -1.291 173.445 174.700 0.059 0.000 1.265 227 T CA -0.733 61.411 62.100 0.073 0.000 1.036 227 T CB 1.580 70.474 68.868 0.044 0.000 1.209 227 T HN 1.064 nan 8.240 nan 0.000 0.484 228 A N 1.876 124.717 122.820 0.035 0.000 2.612 228 A HA 0.816 5.136 4.320 -0.000 0.000 0.293 228 A C -1.644 175.965 177.584 0.042 0.000 1.075 228 A CA -1.018 51.038 52.037 0.032 0.000 0.680 228 A CB 1.312 20.312 19.000 0.000 0.000 1.279 228 A HN 0.962 nan 8.150 nan 0.000 0.411 229 L N 0.631 121.889 121.223 0.059 0.000 2.334 229 L HA 0.864 5.204 4.340 -0.000 0.000 0.270 229 L C -0.383 176.548 176.870 0.103 0.000 1.018 229 L CA -1.028 53.851 54.840 0.065 0.000 0.811 229 L CB 1.944 44.034 42.059 0.051 0.000 1.271 229 L HN 0.920 nan 8.230 nan 0.000 0.443 230 V N -0.343 119.615 119.914 0.073 0.000 3.120 230 V HA 0.657 4.777 4.120 -0.000 0.000 0.303 230 V C -3.024 173.048 176.094 -0.036 0.000 1.238 230 V CA -2.015 60.336 62.300 0.084 0.000 1.008 230 V CB 2.277 34.166 31.823 0.109 0.000 1.064 230 V HN 0.445 nan 8.190 nan 0.000 0.434 231 P HA 0.497 nan 4.420 nan 0.000 0.296 231 P C 0.456 177.636 177.300 -0.199 0.000 1.301 231 P CA -0.276 62.719 63.100 -0.175 0.000 0.862 231 P CB 1.914 33.465 31.700 -0.247 0.000 1.046 232 E N 1.919 122.001 120.200 -0.197 0.000 2.033 232 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 232 E C 0.077 176.573 176.600 -0.174 0.000 1.011 232 E CA 1.448 57.716 56.400 -0.219 0.000 0.815 232 E CB -0.012 29.590 29.700 -0.163 0.000 0.755 232 E HN 0.369 nan 8.360 nan 0.000 0.451 233 N N -0.502 118.114 118.700 -0.141 0.000 2.675 233 N HA 0.065 4.805 4.740 -0.000 0.000 0.254 233 N C -0.579 174.868 175.510 -0.105 0.000 1.224 233 N CA -0.056 52.928 53.050 -0.111 0.000 0.777 233 N CB 0.906 39.347 38.487 -0.076 0.000 1.256 233 N HN -0.014 nan 8.380 nan 0.000 0.531 234 E N 1.271 121.403 120.200 -0.115 0.000 2.940 234 E HA 0.137 4.487 4.350 -0.000 0.000 0.203 234 E C 0.571 177.129 176.600 -0.070 0.000 0.995 234 E CA -0.192 56.150 56.400 -0.097 0.000 1.396 234 E CB 0.766 30.388 29.700 -0.131 0.000 1.310 234 E HN 0.592 nan 8.360 nan 0.000 0.613 235 I N 0.781 121.302 120.570 -0.082 0.000 3.276 235 I HA -0.089 4.081 4.170 -0.000 0.000 0.341 235 I C -0.025 176.093 176.117 0.001 0.000 1.151 235 I CA 1.345 62.623 61.300 -0.038 0.000 1.496 235 I CB 0.209 38.170 38.000 -0.065 0.000 1.264 235 I HN 0.161 nan 8.210 nan 0.000 0.525 236 G N 6.839 115.677 108.800 0.063 0.000 1.974 236 G HA2 0.469 4.429 3.960 -0.000 0.000 0.303 236 G HA3 0.469 4.429 3.960 -0.000 0.000 0.303 236 G C -1.326 173.679 174.900 0.175 0.000 2.080 236 G CA -0.248 44.894 45.100 0.070 0.000 0.896 236 G HN 1.203 nan 8.290 nan 0.000 0.514 237 F N 1.275 121.202 119.950 -0.037 0.000 2.665 237 F HA 0.699 5.226 4.527 -0.000 0.000 0.308 237 F C -0.467 175.322 175.800 -0.019 0.000 1.112 237 F CA -1.097 56.885 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 3.918 123.655 120.200 -0.772 0.000 2.463 238 E HA 0.096 4.446 4.350 -0.000 0.000 0.248 238 E C 0.238 176.184 176.600 -1.091 0.000 1.106 238 E CA -0.006 55.941 56.400 -0.757 0.000 0.946 238 E CB 1.141 30.581 29.700 -0.434 0.000 0.971 238 E HN 0.731 nan 8.360 nan 0.000 0.478 239 V N 3.972 123.517 119.914 -0.616 0.000 2.256 239 V HA -0.047 4.073 4.120 -0.000 0.000 0.240 239 V C 0.318 176.255 176.094 -0.260 0.000 1.036 239 V CA 1.840 63.900 62.300 -0.400 0.000 1.008 239 V CB 0.216 31.916 31.823 -0.204 0.000 0.648 239 V HN 0.820 nan 8.190 nan 0.000 0.453 240 Q N -0.668 118.991 119.800 -0.234 0.000 2.435 240 Q HA 0.471 4.811 4.340 -0.000 0.000 0.282 240 Q C -0.982 174.891 176.000 -0.212 0.000 1.020 240 Q CA -0.618 55.079 55.803 -0.176 0.000 0.820 240 Q CB 1.746 30.393 28.738 -0.151 0.000 1.436 240 Q HN 0.481 nan 8.270 nan 0.000 0.395 241 R N 1.358 121.772 120.500 -0.143 0.000 2.720 241 R HA 0.745 5.085 4.340 -0.000 0.000 0.272 241 R C -0.940 175.279 176.300 -0.136 0.000 0.991 241 R CA -0.737 55.279 56.100 -0.140 0.000 1.010 241 R CB 1.071 31.334 30.300 -0.062 0.000 1.141 241 R HN 0.547 nan 8.270 nan 0.000 0.494 242 L N 0.025 121.156 121.223 -0.153 0.000 2.354 242 L HA 0.482 4.822 4.340 -0.000 0.000 0.264 242 L C -0.490 176.462 176.870 0.137 0.000 1.008 242 L CA -0.460 54.361 54.840 -0.032 0.000 0.819 242 L CB 2.301 44.210 42.059 -0.250 0.000 1.339 242 L HN 0.532 nan 8.230 nan 0.000 0.420 243 S N 0.666 116.547 115.700 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 -1.061 118.850 119.914 -0.006 0.000 3.258 244 V HA 0.950 5.071 4.120 -0.000 0.000 0.299 244 V C -1.199 174.822 176.094 -0.122 0.000 1.376 244 V CA -0.969 61.253 62.300 -0.130 0.000 1.063 244 V CB 1.696 33.319 31.823 -0.333 0.000 1.103 244 V HN 0.987 nan 8.190 nan 0.000 0.451 245 T N -1.045 113.430 114.554 -0.131 0.000 3.176 245 T HA 0.440 4.790 4.350 -0.000 0.000 0.337 245 T C -0.993 173.664 174.700 -0.072 0.000 0.957 245 T CA -0.300 61.757 62.100 -0.071 0.000 1.092 245 T CB 0.742 69.616 68.868 0.011 0.000 1.018 245 T HN 1.080 nan 8.240 nan 0.000 0.473 246 D N 2.121 122.451 120.400 -0.117 0.000 2.312 246 D HA 0.335 4.975 4.640 -0.000 0.000 0.248 246 D C 0.298 176.674 176.300 0.127 0.000 1.086 246 D CA -0.694 53.280 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 1.987 123.284 121.223 0.123 0.000 2.766 247 L HA 0.174 4.514 4.340 -0.000 0.000 0.242 247 L C 0.837 177.789 176.870 0.138 0.000 1.136 247 L CA -0.121 54.800 54.840 0.134 0.000 0.933 247 L CB 0.017 42.114 42.059 0.063 0.000 1.241 247 L HN 0.275 nan 8.230 nan 0.000 0.522 248 D N -0.417 120.085 120.400 0.171 0.000 2.289 248 D HA 0.040 4.680 4.640 -0.000 0.000 0.266 248 D C 0.394 176.759 176.300 0.109 0.000 1.243 248 D CA -0.268 53.810 54.000 0.130 0.000 1.019 248 D CB 0.379 41.260 40.800 0.134 0.000 1.126 248 D HN -0.054 nan 8.370 nan 0.000 0.541 249 M N 1.123 120.753 119.600 0.049 0.000 2.220 249 M HA 0.076 4.556 4.480 -0.000 0.000 0.343 249 M C -1.901 174.287 176.300 -0.186 0.000 1.470 249 M CA -1.224 54.039 55.300 -0.062 0.000 1.161 249 M CB 1.209 33.784 32.600 -0.041 0.000 1.737 249 M HN -0.037 nan 8.290 nan 0.000 0.464 250 P HA -0.251 nan 4.420 nan 0.000 0.216 250 P C 0.920 177.764 177.300 -0.761 0.000 1.062 250 P CA 2.406 64.728 63.100 -1.296 0.000 0.995 250 P CB -0.168 30.927 31.700 -1.008 0.000 0.762 251 G N -2.432 106.135 108.800 -0.388 0.000 2.708 251 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.210 251 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.210 251 G C 0.170 175.067 174.900 -0.006 0.000 1.141 251 G CA 0.489 45.496 45.100 -0.154 0.000 0.788 251 G HN 0.302 nan 8.290 nan 0.000 0.531 252 T N 0.796 115.364 114.554 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 2.153 71.056 68.868 0.059 0.000 0.992 252 T HN -0.239 nan 8.240 nan 0.000 0.483 253 P HA 0.065 nan 4.420 nan 0.000 0.234 253 P C 0.501 177.845 177.300 0.073 0.000 1.162 253 P CA 0.327 63.472 63.100 0.075 0.000 0.759 253 P CB 0.029 31.749 31.700 0.032 0.000 0.813 254 A N -3.617 119.278 122.820 0.125 0.000 2.465 254 A HA 0.195 4.515 4.320 -0.000 0.000 0.255 254 A C 1.108 178.823 177.584 0.217 0.000 1.274 254 A CA -0.272 51.846 52.037 0.134 0.000 0.920 254 A CB -0.803 18.274 19.000 0.127 0.000 1.033 254 A HN 0.291 nan 8.150 nan 0.000 0.516 255 W N -0.871 120.425 121.300 -0.006 0.000 2.121 255 W HA 0.290 4.950 4.660 -0.000 0.000 0.275 255 W C 0.170 176.673 176.519 -0.027 0.000 0.903 255 W CA 0.122 57.460 57.345 -0.013 0.000 1.253 255 W CB 0.676 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 2.362 122.191 119.800 0.049 0.000 2.274 256 Q HA 0.514 4.854 4.340 -0.000 0.000 0.256 256 Q C -0.266 175.616 176.000 -0.197 0.000 0.927 256 Q CA 0.027 55.782 55.803 -0.081 0.000 0.939 256 Q CB 1.580 30.337 28.738 0.032 0.000 1.201 256 Q HN 0.118 nan 8.270 nan 0.000 0.426 257 A N 3.499 126.139 122.820 -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 2.467 122.088 119.914 -0.488 0.000 2.638 258 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 258 V C -0.984 174.858 176.094 -0.420 0.000 1.052 258 V CA -0.277 61.843 62.300 -0.300 0.000 0.885 258 V CB 1.111 32.837 31.823 -0.161 0.000 0.999 258 V HN 0.911 nan 8.190 nan 0.000 0.424 259 Y N 3.052 123.348 120.300 -0.007 0.000 2.782 259 Y HA 0.854 5.404 4.550 -0.000 0.000 0.329 259 Y C 0.251 176.164 175.900 0.021 0.000 1.192 259 Y CA -1.005 57.107 58.100 0.019 0.000 1.216 259 Y CB 1.300 39.773 38.460 0.021 0.000 1.447 259 Y HN 0.587 nan 8.280 nan 0.000 0.616 260 K N 0.352 120.903 120.400 0.253 0.000 2.976 260 K HA 0.187 4.507 4.320 -0.000 0.000 0.326 260 K C -1.863 174.803 176.600 0.111 0.000 1.180 260 K CA -0.707 55.662 56.287 0.136 0.000 0.936 260 K CB 0.007 32.564 32.500 0.095 0.000 1.355 260 K HN 0.652 nan 8.250 nan 0.000 0.388 261 I N -0.237 120.377 120.570 0.074 0.000 2.834 261 I HA 0.335 4.505 4.170 -0.000 0.000 0.305 261 I C 0.883 177.033 176.117 0.056 0.000 1.008 261 I CA -0.671 60.657 61.300 0.048 0.000 1.273 261 I CB 1.060 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 2.834 123.361 120.500 0.046 0.000 2.057 262 R HA 0.247 4.587 4.340 -0.000 0.000 0.224 262 R C -0.077 176.254 176.300 0.052 0.000 1.136 262 R CA 0.935 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 -0.542 175.625 176.094 0.123 0.000 1.027 263 V CA -0.898 61.448 62.300 0.077 0.000 0.855 263 V CB 1.912 33.778 31.823 0.073 0.000 0.995 263 V HN 0.170 nan 8.190 nan 0.000 0.424 264 N N 3.063 121.837 118.700 0.122 0.000 2.801 264 N HA 0.142 4.882 4.740 -0.000 0.000 0.235 264 N C 0.983 176.573 175.510 0.133 0.000 1.069 264 N CA -0.116 53.045 53.050 0.185 0.000 0.946 264 N CB 1.274 39.837 38.487 0.127 0.000 1.212 264 N HN 0.861 nan 8.380 nan 0.000 0.509 265 E N 2.614 122.984 120.200 0.284 0.000 2.160 265 E HA -0.219 4.131 4.350 -0.000 0.000 0.237 265 E C 1.176 177.687 176.600 -0.150 0.000 1.069 265 E CA 2.467 59.018 56.400 0.251 0.000 0.950 265 E CB -0.445 29.689 29.700 0.723 0.000 0.832 265 E HN 0.598 nan 8.360 nan 0.000 0.496 266 G N -2.386 105.811 108.800 -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 0.214 44.456 45.100 -1.428 0.000 0.793 266 G HN 0.802 nan 8.290 nan 0.000 0.532 267 G N 0.800 109.195 108.800 -0.676 0.000 2.295 267 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.287 267 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.287 267 G C 0.318 175.092 174.900 -0.210 0.000 1.055 267 G CA 0.347 45.291 45.100 -0.259 0.000 0.922 267 G HN 0.943 nan 8.290 nan 0.000 0.503 268 F N -1.764 118.096 119.950 -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 -0.865 0.000 1.234 268 F CA -1.450 56.287 58.000 -0.437 0.000 1.296 268 F CB 0.176 38.874 39.000 -0.503 0.000 0.981 268 F HN -0.036 nan 8.300 nan 0.000 0.507 269 F N 0.758 120.814 119.950 0.176 0.000 2.615 269 F HA 0.404 4.931 4.527 0.000 0.000 0.312 269 F C -0.775 175.044 175.800 0.031 0.000 1.119 269 F CA -1.220 56.821 58.000 0.068 0.000 0.979 269 F CB 1.915 40.942 39.000 0.046 0.000 1.266 269 F HN -0.047 nan 8.300 nan 0.000 0.444 270 N N 2.339 121.165 118.700 0.210 0.000 2.229 270 N HA 0.701 5.441 4.740 -0.000 0.000 0.298 270 N C -1.924 173.625 175.510 0.065 0.000 1.114 270 N CA -0.537 52.578 53.050 0.109 0.000 0.776 270 N CB 2.364 40.887 38.487 0.061 0.000 1.501 270 N HN 0.726 nan 8.380 nan 0.000 0.474 271 I N 1.271 121.861 120.570 0.034 0.000 2.571 271 I HA 0.465 4.635 4.170 -0.000 0.000 0.289 271 I C -0.947 175.173 176.117 0.004 0.000 1.115 271 I CA -0.203 61.085 61.300 -0.020 0.000 1.045 271 I CB 1.788 39.748 38.000 -0.067 0.000 1.238 271 I HN 0.460 nan 8.210 nan 0.000 0.424 272 T N 3.991 118.535 114.554 -0.017 0.000 2.919 272 T HA 0.600 4.950 4.350 -0.000 0.000 0.282 272 T C -0.471 174.249 174.700 0.033 0.000 1.020 272 T CA -0.515 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 1.152 115.752 114.554 0.078 0.000 2.932 273 T HA 0.683 5.033 4.350 -0.000 0.000 0.289 273 T C -1.247 173.486 174.700 0.055 0.000 1.039 273 T CA -0.794 61.375 62.100 0.115 0.000 1.024 273 T CB 1.677 70.637 68.868 0.153 0.000 1.090 273 T HN 0.632 nan 8.240 nan 0.000 0.496 274 D N 0.708 121.136 120.400 0.047 0.000 2.936 274 D HA 0.380 5.020 4.640 -0.000 0.000 0.238 274 D C -2.763 173.569 176.300 0.053 0.000 1.248 274 D CA -2.279 51.744 54.000 0.039 0.000 0.903 274 D CB 2.059 42.873 40.800 0.024 0.000 1.544 274 D HN 0.035 nan 8.370 nan 0.000 0.543 275 P HA 0.085 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 0.440 63.620 63.100 0.134 0.000 0.960 275 P CB -0.046 31.726 31.700 0.121 0.000 1.911 276 E N -1.839 118.437 120.200 0.128 0.000 2.357 276 E HA 0.148 4.498 4.350 -0.000 0.000 0.190 276 E C 0.584 177.296 176.600 0.187 0.000 1.022 276 E CA -0.096 56.378 56.400 0.123 0.000 1.068 276 E CB -0.303 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 0.704 116.476 115.700 0.120 0.000 2.901 277 S HA 0.139 4.609 4.470 -0.000 0.000 0.248 277 S C -0.622 173.936 174.600 -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 1.345 120.001 118.700 -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 -0.920 37.391 38.487 -0.292 0.000 0.919 278 N HN 0.586 nan 8.380 nan 0.000 0.566 279 Q N -0.034 119.763 119.800 -0.005 0.000 2.443 279 Q HA 0.235 4.575 4.340 -0.000 0.000 0.232 279 Q C 0.784 176.769 176.000 -0.025 0.000 1.026 279 Q CA 0.165 55.970 55.803 0.003 0.000 0.924 279 Q CB 0.800 29.535 28.738 -0.005 0.000 1.256 279 Q HN 0.538 nan 8.270 nan 0.000 0.519 280 G N 1.334 110.025 108.800 -0.182 0.000 2.350 280 G HA2 0.425 4.385 3.960 -0.000 0.000 0.306 280 G HA3 0.425 4.385 3.960 -0.000 0.000 0.306 280 G C -0.882 173.798 174.900 -0.365 0.000 1.094 280 G CA -0.419 44.338 45.100 -0.572 0.000 0.953 280 G HN 0.546 nan 8.290 nan 0.000 0.420 281 I N 3.915 124.327 120.570 -0.262 0.000 2.330 281 I HA 0.407 4.577 4.170 -0.000 0.000 0.286 281 I C -0.326 175.673 176.117 -0.196 0.000 1.025 281 I CA -0.832 60.352 61.300 -0.194 0.000 1.197 281 I CB 0.690 38.622 38.000 -0.114 0.000 1.358 281 I HN 0.250 nan 8.210 nan 0.000 0.467 282 L N 7.976 129.063 121.223 -0.227 0.000 2.343 282 L HA 0.651 4.991 4.340 -0.000 0.000 0.275 282 L C -0.191 176.590 176.870 -0.147 0.000 1.056 282 L CA -0.061 54.666 54.840 -0.188 0.000 0.804 282 L CB 1.635 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 -1.405 113.120 114.554 -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 -0.706 61.378 62.100 -0.026 0.000 1.009 283 T CB 1.533 70.371 68.868 -0.049 0.000 1.368 283 T HN 0.551 nan 8.240 nan 0.000 0.509 284 T N -0.065 114.534 114.554 0.075 0.000 2.771 284 T HA 0.653 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 70.140 68.868 -0.015 0.000 0.917 284 T HN 0.934 nan 8.240 nan 0.000 0.484 285 A N 3.337 126.075 122.820 -0.136 0.000 1.843 285 A HA 0.093 4.413 4.320 -0.000 0.000 0.213 285 A C 1.233 178.790 177.584 -0.045 0.000 1.202 285 A CA 0.515 52.518 52.037 -0.057 0.000 0.607 285 A CB -0.178 18.800 19.000 -0.037 0.000 0.847 285 A HN 0.879 nan 8.150 nan 0.000 0.445 286 K N -0.919 119.448 120.400 -0.056 0.000 3.029 286 K HA 0.488 4.808 4.320 -0.000 0.000 0.169 286 K C 0.358 176.939 176.600 -0.030 0.000 1.090 286 K CA -0.197 56.081 56.287 -0.015 0.000 0.883 286 K CB 0.026 32.542 32.500 0.027 0.000 1.080 286 K HN 0.813 nan 8.250 nan 0.000 0.613 287 G N 1.500 110.258 108.800 -0.070 0.000 2.909 287 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.385 287 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.385 287 G C -0.367 174.441 174.900 -0.153 0.000 1.436 287 G CA 0.107 45.150 45.100 -0.095 0.000 0.949 287 G HN 0.384 nan 8.290 nan 0.000 0.556 288 L N -1.979 119.123 121.223 -0.203 0.000 2.563 288 L HA 0.890 5.230 4.340 -0.000 0.000 0.255 288 L C 0.586 177.353 176.870 -0.172 0.000 1.444 288 L CA 0.059 54.714 54.840 -0.308 0.000 1.526 288 L CB 1.451 43.120 42.059 -0.651 0.000 1.929 288 L HN 0.697 nan 8.230 nan 0.000 0.563 289 D N -1.373 118.852 120.400 -0.291 0.000 3.244 289 D HA 0.194 4.834 4.640 -0.000 0.000 0.292 289 D C -1.084 175.328 176.300 0.187 0.000 1.652 289 D CA -0.134 53.922 54.000 0.093 0.000 0.803 289 D CB 0.264 41.283 40.800 0.366 0.000 1.390 289 D HN 0.335 nan 8.370 nan 0.000 0.528 290 F N -1.911 118.043 119.950 0.005 0.000 2.877 290 F HA 0.677 5.204 4.527 -0.000 0.000 0.319 290 F C 0.171 175.984 175.800 0.022 0.000 1.174 290 F CA -1.008 57.003 58.000 0.019 0.000 0.903 290 F CB 0.842 39.861 39.000 0.032 0.000 1.357 290 F HN -0.283 nan 8.300 nan 0.000 0.472 291 E N 0.111 120.551 120.200 0.401 0.000 2.630 291 E HA 0.397 4.747 4.350 -0.000 0.000 0.218 291 E C 0.918 177.623 176.600 0.175 0.000 0.977 291 E CA 0.114 56.645 56.400 0.218 0.000 1.038 291 E CB 0.618 30.401 29.700 0.138 0.000 1.051 291 E HN 0.645 nan 8.360 nan 0.000 0.487 292 L N -0.090 121.244 121.223 0.185 0.000 2.286 292 L HA 0.296 4.636 4.340 -0.000 0.000 0.203 292 L C 0.488 177.193 176.870 -0.274 0.000 1.068 292 L CA 0.490 55.177 54.840 -0.255 0.000 0.811 292 L CB 0.344 41.983 42.059 -0.701 0.000 0.989 292 L HN -0.082 nan 8.230 nan 0.000 0.467 293 R N -0.568 119.908 120.500 -0.039 0.000 2.668 293 R HA 0.281 4.621 4.340 -0.000 0.000 0.272 293 R C -0.300 176.276 176.300 0.459 0.000 1.019 293 R CA -0.432 55.762 56.100 0.157 0.000 0.894 293 R CB 2.256 32.525 30.300 -0.053 0.000 1.228 293 R HN -0.180 nan 8.270 nan 0.000 0.460 294 K N 0.358 120.853 120.400 0.158 0.000 2.436 294 K HA 0.198 4.518 4.320 -0.000 0.000 0.198 294 K C -0.131 176.514 176.600 0.076 0.000 1.174 294 K CA 0.416 56.785 56.287 0.137 0.000 0.951 294 K CB 0.970 33.519 32.500 0.081 0.000 1.040 294 K HN 0.422 nan 8.250 nan 0.000 0.536 295 Q N 0.122 119.871 119.800 -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 55.097 55.803 -0.135 0.000 0.896 295 Q CB 1.642 30.323 28.738 -0.095 0.000 1.272 295 Q HN 0.118 nan 8.270 nan 0.000 0.442 296 Y N 0.479 120.807 120.300 0.048 0.000 2.317 296 Y HA 0.258 4.808 4.550 0.000 0.000 0.329 296 Y C -0.827 175.063 175.900 -0.018 0.000 1.101 296 Y CA -0.651 57.468 58.100 0.032 0.000 1.228 296 Y CB 1.553 40.026 38.460 0.020 0.000 1.123 296 Y HN 0.288 nan 8.280 nan 0.000 0.457 297 V N 6.442 126.410 119.914 0.091 0.000 2.313 297 V HA 0.524 4.644 4.120 -0.000 0.000 0.278 297 V C -0.404 175.714 176.094 0.041 0.000 1.017 297 V CA -0.481 61.843 62.300 0.040 0.000 0.823 297 V CB 0.638 32.470 31.823 0.015 0.000 1.010 297 V HN 0.567 nan 8.190 nan 0.000 0.443 298 L N 3.216 124.438 121.223 -0.002 0.000 2.350 298 L HA 0.813 5.153 4.340 -0.000 0.000 0.260 298 L C -0.910 175.925 176.870 -0.057 0.000 1.015 298 L CA -0.942 53.885 54.840 -0.022 0.000 0.821 298 L CB 2.332 44.353 42.059 -0.063 0.000 1.370 298 L HN 0.371 nan 8.230 nan 0.000 0.416 299 Q N 1.406 121.181 119.800 -0.042 0.000 2.375 299 Q HA 0.710 5.050 4.340 -0.000 0.000 0.271 299 Q C -1.624 174.357 176.000 -0.031 0.000 1.074 299 Q CA -0.705 55.065 55.803 -0.055 0.000 0.808 299 Q CB 3.312 32.031 28.738 -0.031 0.000 1.327 299 Q HN 0.484 nan 8.270 nan 0.000 0.441 300 I N 1.422 121.968 120.570 -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 61.053 61.300 0.071 0.000 1.078 300 I CB 2.074 40.117 38.000 0.071 0.000 1.249 300 I HN 0.611 nan 8.210 nan 0.000 0.429 301 T N 3.026 117.714 114.554 0.223 0.000 2.934 301 T HA 0.779 5.129 4.350 -0.000 0.000 0.283 301 T C -0.449 174.409 174.700 0.263 0.000 1.005 301 T CA -0.829 61.424 62.100 0.255 0.000 1.041 301 T CB 1.943 70.898 68.868 0.145 0.000 1.042 301 T HN 0.397 nan 8.240 nan 0.000 0.505 302 V N 1.536 121.547 119.914 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 1.548 33.107 31.823 -0.440 0.000 0.996 302 V HN 1.116 nan 8.190 nan 0.000 0.425 303 E N 4.408 124.500 120.200 -0.180 0.000 2.447 303 E HA 0.531 4.881 4.350 -0.000 0.000 0.251 303 E C -0.997 175.523 176.600 -0.133 0.000 0.910 303 E CA -1.063 55.311 56.400 -0.044 0.000 0.841 303 E CB 1.859 31.518 29.700 -0.069 0.000 1.403 303 E HN 0.762 nan 8.360 nan 0.000 0.400 304 N N -1.202 117.430 118.700 -0.114 0.000 2.525 304 N HA 0.375 5.115 4.740 -0.000 0.000 0.288 304 N C 0.300 175.711 175.510 -0.164 0.000 1.242 304 N CA -0.216 52.762 53.050 -0.121 0.000 0.905 304 N CB 1.443 39.903 38.487 -0.046 0.000 1.258 304 N HN 0.480 nan 8.380 nan 0.000 0.551 305 A N 0.231 122.983 122.820 -0.114 0.000 1.897 305 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 305 A C 0.505 178.014 177.584 -0.126 0.000 1.181 305 A CA 1.197 53.174 52.037 -0.099 0.000 0.620 305 A CB -0.519 18.451 19.000 -0.051 0.000 0.821 305 A HN 0.808 nan 8.150 nan 0.000 0.443 306 E N 0.611 120.734 120.200 -0.128 0.000 2.231 306 E HA 0.499 4.849 4.350 -0.000 0.000 0.277 306 E C -2.747 173.689 176.600 -0.273 0.000 0.999 306 E CA -2.380 53.935 56.400 -0.142 0.000 0.827 306 E CB 0.484 30.141 29.700 -0.073 0.000 1.101 306 E HN 0.071 nan 8.360 nan 0.000 0.393 307 P HA -0.062 nan 4.420 nan 0.000 0.272 307 P C -1.053 176.011 177.300 -0.394 0.000 1.243 307 P CA 0.148 63.001 63.100 -0.412 0.000 0.803 307 P CB 0.234 31.820 31.700 -0.191 0.000 0.974 308 F N -1.352 118.595 119.950 -0.005 0.000 2.422 308 F HA 0.233 4.760 4.527 0.000 0.000 0.333 308 F C 1.370 177.173 175.800 0.003 0.000 1.095 308 F CA -0.314 57.685 58.000 -0.001 0.000 1.038 308 F CB 0.366 39.364 39.000 -0.004 0.000 1.156 308 F HN 0.100 nan 8.300 nan 0.000 0.483 309 S N 0.555 116.389 115.700 0.224 0.000 2.786 309 S HA 0.339 4.809 4.470 -0.000 0.000 0.223 309 S C 0.025 174.688 174.600 0.105 0.000 0.956 309 S CA -0.073 58.202 58.200 0.124 0.000 0.961 309 S CB -0.481 62.778 63.200 0.098 0.000 0.784 309 S HN 0.393 nan 8.310 nan 0.000 0.519 310 V N 0.838 120.830 119.914 0.131 0.000 3.155 310 V HA 0.243 4.363 4.120 -0.000 0.000 0.272 310 V C -2.880 173.245 176.094 0.052 0.000 1.639 310 V CA -1.890 60.450 62.300 0.066 0.000 1.006 310 V CB 2.110 33.949 31.823 0.026 0.000 1.244 310 V HN -0.031 nan 8.190 nan 0.000 0.458 311 P HA 0.572 nan 4.420 nan 0.000 0.271 311 P C -1.145 176.110 177.300 -0.074 0.000 1.216 311 P CA 0.163 63.267 63.100 0.006 0.000 0.776 311 P CB 0.482 32.187 31.700 0.008 0.000 0.881 312 L N 3.145 124.282 121.223 -0.143 0.000 2.491 312 L HA 0.562 4.902 4.340 -0.000 0.000 0.254 312 L C -2.282 174.477 176.870 -0.185 0.000 1.048 312 L CA -1.842 52.854 54.840 -0.239 0.000 0.855 312 L CB 2.308 44.054 42.059 -0.522 0.000 1.466 312 L HN 0.301 nan 8.230 nan 0.000 0.409 313 P HA 0.253 nan 4.420 nan 0.000 0.293 313 P C -1.098 176.152 177.300 -0.083 0.000 1.300 313 P CA -0.333 62.716 63.100 -0.086 0.000 0.792 313 P CB 1.122 32.789 31.700 -0.055 0.000 0.925 314 T N 1.672 116.214 114.554 -0.021 0.000 2.779 314 T HA 0.212 4.562 4.350 -0.000 0.000 0.296 314 T C 0.358 175.100 174.700 0.070 0.000 0.938 314 T CA 0.220 62.340 62.100 0.033 0.000 1.119 314 T CB 0.154 69.067 68.868 0.074 0.000 0.891 314 T HN 0.262 nan 8.240 nan 0.000 0.526 315 S N 2.789 118.559 115.700 0.117 0.000 2.530 315 S HA 0.462 4.932 4.470 -0.000 0.000 0.322 315 S C 0.406 175.248 174.600 0.404 0.000 1.085 315 S CA -0.857 57.466 58.200 0.206 0.000 1.096 315 S CB 0.737 64.057 63.200 0.201 0.000 0.988 315 S HN 0.778 nan 8.310 nan 0.000 0.466 316 T N 2.533 117.203 114.554 0.195 0.000 2.882 316 T HA 0.671 5.021 4.350 -0.000 0.000 0.287 316 T C -0.016 174.476 174.700 -0.346 0.000 1.014 316 T CA -0.770 61.346 62.100 0.026 0.000 1.049 316 T CB 1.152 70.018 68.868 -0.003 0.000 1.001 316 T HN 0.627 nan 8.240 nan 0.000 0.525 317 A N 1.719 124.189 122.820 -0.584 0.000 2.330 317 A HA 0.640 4.960 4.320 -0.000 0.000 0.313 317 A C 0.122 177.523 177.584 -0.304 0.000 1.124 317 A CA -0.925 50.686 52.037 -0.709 0.000 0.774 317 A CB 0.756 18.997 19.000 -1.265 0.000 1.198 317 A HN 0.774 nan 8.150 nan 0.000 0.465 318 T N 1.336 115.784 114.554 -0.176 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 61.580 62.100 -0.096 0.000 1.002 318 T CB 1.109 69.941 68.868 -0.059 0.000 0.919 318 T HN 0.456 nan 8.240 nan 0.000 0.468 319 V N 2.839 122.711 119.914 -0.070 0.000 2.789 319 V HA 0.539 4.659 4.120 -0.000 0.000 0.311 319 V C -0.042 176.032 176.094 -0.034 0.000 1.073 319 V CA -0.752 61.517 62.300 -0.050 0.000 0.921 319 V CB 2.587 34.335 31.823 -0.125 0.000 1.009 319 V HN 0.995 nan 8.190 nan 0.000 0.426 320 T N 3.943 118.497 114.554 -0.000 0.000 2.770 320 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 320 T C -0.496 174.226 174.700 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 70.204 68.868 0.027 0.000 0.930 320 T HN 0.393 nan 8.240 nan 0.000 0.443 321 V N 3.211 123.176 119.914 0.086 0.000 2.715 321 V HA 0.703 4.823 4.120 -0.000 0.000 0.310 321 V C 0.118 176.311 176.094 0.165 0.000 1.054 321 V CA -0.812 61.552 62.300 0.107 0.000 0.928 321 V CB 2.174 34.048 31.823 0.085 0.000 1.007 321 V HN 0.896 nan 8.190 nan 0.000 0.437 322 T N 2.398 117.022 114.554 0.117 0.000 2.879 322 T HA 0.472 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 0.691 176.769 176.094 -0.027 0.000 1.045 323 V CA -0.706 61.582 62.300 -0.020 0.000 0.899 323 V CB 0.377 32.125 31.823 -0.124 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 0.194 4.544 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 -0.325 56.054 56.400 -0.034 0.000 0.916 324 E CB 0.738 30.414 29.700 -0.039 0.000 0.989 324 E HN 0.685 nan 8.360 nan 0.000 0.432 325 D N 0.773 121.152 120.400 -0.036 0.000 2.185 325 D HA 0.333 4.973 4.640 -0.000 0.000 0.247 325 D C -1.676 174.600 176.300 -0.041 0.000 1.027 325 D CA -0.546 53.433 54.000 -0.034 0.000 0.861 325 D CB 1.647 42.441 40.800 -0.010 0.000 1.202 325 D HN 0.112 nan 8.370 nan 0.000 0.453 326 V N 3.640 123.527 119.914 -0.045 0.000 2.769 326 V HA 0.530 4.650 4.120 -0.000 0.000 0.312 326 V C -1.182 174.895 176.094 -0.029 0.000 1.061 326 V CA -0.796 61.476 62.300 -0.046 0.000 0.931 326 V CB 1.981 33.767 31.823 -0.062 0.000 1.010 326 V HN 0.640 nan 8.190 nan 0.000 0.433 327 N N 3.942 122.626 118.700 -0.027 0.000 2.424 327 N HA 0.426 5.166 4.740 -0.000 0.000 0.271 327 N C -0.631 174.868 175.510 -0.018 0.000 0.985 327 N CA -0.283 52.756 53.050 -0.017 0.000 0.921 327 N CB 1.718 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 0.889 121.086 120.200 -0.004 0.000 2.250 328 E HA 0.639 4.989 4.350 -0.000 0.000 0.265 328 E C -0.158 176.442 176.600 0.000 0.000 1.033 328 E CA -0.871 55.528 56.400 -0.002 0.000 0.888 328 E CB 0.794 30.502 29.700 0.014 0.000 1.151 328 E HN 0.626 nan 8.360 nan 0.000 0.412 329 A N 2.007 124.823 122.820 -0.006 0.000 2.507 329 A HA 0.311 4.631 4.320 -0.000 0.000 0.235 329 A C -2.132 175.465 177.584 0.022 0.000 1.070 329 A CA -0.727 51.298 52.037 -0.021 0.000 0.768 329 A CB -0.502 18.477 19.000 -0.036 0.000 1.011 329 A HN 0.360 nan 8.150 nan 0.000 0.502 330 P HA 0.662 nan 4.420 nan 0.000 0.284 330 P C -0.904 176.360 177.300 -0.060 0.000 1.292 330 P CA -0.269 62.761 63.100 -0.117 0.000 0.800 330 P CB 0.497 32.062 31.700 -0.226 0.000 1.188 331 F N -2.924 116.927 119.950 -0.166 0.000 2.615 331 F HA 0.602 5.129 4.527 -0.000 0.000 0.312 331 F C -1.077 174.657 175.800 -0.110 0.000 1.119 331 F CA -1.452 56.418 58.000 -0.217 0.000 0.979 331 F CB 0.260 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 1.566 121.623 119.950 0.179 0.000 2.490 332 F HA 0.388 4.915 4.527 -0.000 0.000 0.336 332 F C 1.536 177.483 175.800 0.244 0.000 1.178 332 F CA -0.555 57.528 58.000 0.138 0.000 1.301 332 F CB 0.144 39.227 39.000 0.139 0.000 1.175 332 F HN 0.491 nan 8.300 nan 0.000 0.593 333 V N -0.737 119.405 119.914 0.380 0.000 2.251 333 V HA -0.033 4.087 4.120 -0.000 0.000 0.230 333 V C -1.321 174.953 176.094 0.301 0.000 1.032 333 V CA 0.460 62.975 62.300 0.358 0.000 0.997 333 V CB -2.178 29.782 31.823 0.228 0.000 0.643 333 V HN 0.596 nan 8.190 nan 0.000 0.462 334 P HA 0.558 nan 4.420 nan 0.000 0.323 334 P C -1.058 176.343 177.300 0.168 0.000 1.309 334 P CA -0.126 63.068 63.100 0.156 0.000 0.739 334 P CB 0.309 32.069 31.700 0.100 0.000 1.454 335 A N -0.173 122.712 122.820 0.109 0.000 2.702 335 A HA 0.491 4.811 4.320 -0.000 0.000 0.305 335 A C -0.800 176.814 177.584 0.049 0.000 1.213 335 A CA -0.571 51.519 52.037 0.089 0.000 0.745 335 A CB 0.004 19.054 19.000 0.084 0.000 1.161 335 A HN 0.211 nan 8.150 nan 0.000 0.445 336 V N 1.336 121.267 119.914 0.027 0.000 2.439 336 V HA 0.305 4.425 4.120 -0.000 0.000 0.271 336 V C 0.938 177.042 176.094 0.016 0.000 1.040 336 V CA 0.001 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 0.824 175.452 174.600 0.047 0.000 1.359 337 S CA -0.493 57.730 58.200 0.038 0.000 0.974 337 S CB -0.180 63.042 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 0.030 176.361 176.300 0.051 0.000 1.356 338 R CA 0.650 56.775 56.100 0.041 0.000 1.088 338 R CB -0.144 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 2.527 122.474 119.914 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 -0.377 61.954 62.300 0.052 0.000 1.069 339 V CB 0.320 32.168 31.823 0.042 0.000 1.177 339 V HN 0.173 nan 8.190 nan 0.000 0.492 340 D N 3.703 124.127 120.400 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 -0.053 0.000 1.250 340 D CA 0.513 54.493 54.000 -0.034 0.000 0.967 340 D CB 1.284 41.988 40.800 -0.159 0.000 1.059 340 D HN 0.500 nan 8.370 nan 0.000 0.512 341 V N 1.811 121.720 119.914 -0.008 0.000 2.628 341 V HA 0.536 4.656 4.120 -0.000 0.000 0.306 341 V C 0.041 176.118 176.094 -0.027 0.000 1.045 341 V CA -0.679 61.609 62.300 -0.019 0.000 0.905 341 V CB 2.014 33.836 31.823 -0.002 0.000 0.997 341 V HN 0.523 nan 8.190 nan 0.000 0.436 342 S N 3.348 119.020 115.700 -0.045 0.000 2.632 342 S HA 0.290 4.760 4.470 -0.000 0.000 0.267 342 S C 0.950 175.510 174.600 -0.068 0.000 1.276 342 S CA 0.387 58.557 58.200 -0.049 0.000 0.998 342 S CB 1.197 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 0.920 177.450 176.600 -0.117 0.000 0.990 343 E CA 1.267 57.600 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 0.870 nan 8.360 nan 0.000 0.477 344 D N -0.079 120.270 120.400 -0.085 0.000 2.371 344 D HA -0.028 4.612 4.640 -0.000 0.000 0.234 344 D C 0.298 176.550 176.300 -0.080 0.000 1.049 344 D CA -0.022 53.932 54.000 -0.077 0.000 0.907 344 D CB -0.051 40.715 40.800 -0.057 0.000 0.891 344 D HN 0.120 nan 8.370 nan 0.000 0.531 345 L N 1.241 122.408 121.223 -0.093 0.000 2.525 345 L HA 0.012 4.352 4.340 -0.000 0.000 0.278 345 L C 0.223 177.042 176.870 -0.085 0.000 1.218 345 L CA -0.215 54.575 54.840 -0.084 0.000 0.878 345 L CB 0.486 42.494 42.059 -0.086 0.000 1.127 345 L HN 0.163 nan 8.230 nan 0.000 0.492 346 S N 4.559 120.221 115.700 -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 -0.781 57.386 58.200 -0.055 0.000 1.060 346 S CB 0.455 63.630 63.200 -0.041 0.000 0.966 346 S HN 0.635 nan 8.310 nan 0.000 0.501 347 R N 2.878 123.344 120.500 -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 -1.332 28.942 30.300 -0.043 0.000 0.929 347 R HN 1.182 nan 8.270 nan 0.000 0.372 348 G N 2.846 111.631 108.800 -0.025 0.000 2.441 348 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.139 348 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.139 348 G C -0.925 173.963 174.900 -0.021 0.000 1.067 348 G CA -0.704 44.385 45.100 -0.018 0.000 0.766 348 G HN 0.511 nan 8.290 nan 0.000 0.484 349 E N 0.364 120.550 120.200 -0.023 0.000 2.293 349 E HA 0.311 4.661 4.350 -0.000 0.000 0.270 349 E C 0.064 176.651 176.600 -0.022 0.000 0.879 349 E CA -0.839 55.546 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 2.898 123.284 120.400 -0.023 0.000 2.430 350 K HA 0.065 4.385 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 56.670 56.287 -0.024 0.000 1.071 350 K CB 0.513 32.998 32.500 -0.025 0.000 0.899 350 K HN 0.409 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 0.840 176.949 176.117 -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 -0.349 120.207 120.570 -0.023 0.000 2.493 352 I HA 0.344 4.514 4.170 -0.000 0.000 0.279 352 I C -0.637 175.445 176.117 -0.058 0.000 1.045 352 I CA -0.675 60.604 61.300 -0.035 0.000 1.106 352 I CB 1.431 39.410 38.000 -0.036 0.000 1.216 352 I HN -0.051 nan 8.210 nan 0.000 0.459 353 S N 7.291 122.959 115.700 -0.054 0.000 2.405 353 S HA 0.609 5.079 4.470 -0.000 0.000 0.291 353 S C -0.130 174.425 174.600 -0.074 0.000 1.137 353 S CA -0.719 57.438 58.200 -0.072 0.000 1.061 353 S CB 0.407 63.575 63.200 -0.053 0.000 1.001 353 S HN 0.574 nan 8.310 nan 0.000 0.507 354 L N 1.345 122.501 121.223 -0.112 0.000 2.286 354 L HA 0.987 5.327 4.340 -0.000 0.000 0.265 354 L C -0.315 176.502 176.870 -0.089 0.000 1.012 354 L CA -1.400 53.388 54.840 -0.087 0.000 0.818 354 L CB 0.546 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 -3.116 116.810 119.914 0.018 0.000 3.049 355 V HA 1.061 5.181 4.120 -0.000 0.000 0.309 355 V C -0.406 175.815 176.094 0.212 0.000 1.148 355 V CA -0.366 61.994 62.300 0.100 0.000 0.990 355 V CB 1.020 32.881 31.823 0.063 0.000 1.039 355 V HN 1.418 nan 8.190 nan 0.000 0.430 356 A N 1.988 124.966 122.820 0.263 0.000 2.423 356 A HA 0.924 5.244 4.320 -0.000 0.000 0.304 356 A C -0.878 176.608 177.584 -0.163 0.000 1.104 356 A CA -0.798 51.308 52.037 0.115 0.000 0.757 356 A CB 2.175 21.298 19.000 0.204 0.000 1.313 356 A HN 0.866 nan 8.150 nan 0.000 0.423 357 Q N 0.577 120.015 119.800 -0.603 0.000 2.387 357 Q HA 0.399 4.739 4.340 -0.000 0.000 0.273 357 Q C -1.742 173.709 176.000 -0.914 0.000 1.089 357 Q CA -0.566 54.806 55.803 -0.718 0.000 0.824 357 Q CB 2.772 31.092 28.738 -0.696 0.000 1.367 357 Q HN 0.834 nan 8.270 nan 0.000 0.443 358 D N 1.984 122.142 120.400 -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 42.953 40.800 -0.125 0.000 1.399 358 D HN 0.193 nan 8.370 nan 0.000 0.503 359 P HA -0.170 nan 4.420 nan 0.000 0.205 359 P C -0.501 176.842 177.300 0.071 0.000 1.164 359 P CA 0.935 64.115 63.100 0.133 0.000 0.938 359 P CB -0.364 31.422 31.700 0.143 0.000 0.777 360 D N 1.584 122.014 120.400 0.049 0.000 2.899 360 D HA -0.057 4.583 4.640 -0.000 0.000 0.254 360 D C 0.669 176.985 176.300 0.027 0.000 1.320 360 D CA 0.543 54.564 54.000 0.035 0.000 0.929 360 D CB -0.493 40.318 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 0.151 176.763 176.600 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 2.683 122.491 119.800 0.014 0.000 1.752 362 Q HA -0.033 4.307 4.340 -0.000 0.000 0.169 362 Q C -0.569 175.434 176.000 0.004 0.000 0.747 362 Q CA -0.180 55.629 55.803 0.009 0.000 0.814 362 Q CB 0.471 29.214 28.738 0.008 0.000 1.218 362 Q HN 0.569 nan 8.270 nan 0.000 0.384 363 Q N 1.730 121.532 119.800 0.004 0.000 2.851 363 Q HA -0.066 4.274 4.340 -0.000 0.000 0.319 363 Q C -0.297 175.701 176.000 -0.002 0.000 1.225 363 Q CA 1.047 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 -1.647 174.465 176.117 -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 0.330 nan 8.210 nan 0.000 0.561 365 Q N 2.061 121.853 119.800 -0.013 0.000 2.418 365 Q HA 0.546 4.886 4.340 -0.000 0.000 0.240 365 Q C -1.424 174.559 176.000 -0.029 0.000 0.859 365 Q CA -0.886 54.905 55.803 -0.021 0.000 0.916 365 Q CB 1.439 30.161 28.738 -0.026 0.000 1.448 365 Q HN 0.469 nan 8.270 nan 0.000 0.439 366 K N 2.083 122.469 120.400 -0.025 0.000 2.288 366 K HA 0.786 5.106 4.320 -0.000 0.000 0.234 366 K C -0.878 175.687 176.600 -0.058 0.000 1.037 366 K CA -0.800 55.466 56.287 -0.036 0.000 0.914 366 K CB 1.037 33.531 32.500 -0.010 0.000 1.197 366 K HN 0.644 nan 8.250 nan 0.000 0.471 367 L N -1.890 119.273 121.223 -0.101 0.000 2.230 367 L HA 0.708 5.048 4.340 -0.000 0.000 0.255 367 L C -1.013 175.770 176.870 -0.146 0.000 1.039 367 L CA -0.768 53.983 54.840 -0.148 0.000 0.846 367 L CB 1.804 43.708 42.059 -0.258 0.000 1.419 367 L HN 0.577 nan 8.230 nan 0.000 0.435 368 S N -1.525 114.129 115.700 -0.077 0.000 2.532 368 S HA 0.693 5.163 4.470 -0.000 0.000 0.299 368 S C -1.291 173.424 174.600 0.192 0.000 1.105 368 S CA -0.547 57.717 58.200 0.106 0.000 1.018 368 S CB 0.616 64.054 63.200 0.395 0.000 1.021 368 S HN 0.455 nan 8.310 nan 0.000 0.483 369 Y N 2.044 122.491 120.300 0.244 0.000 2.365 369 Y HA 0.582 5.132 4.550 -0.000 0.000 0.340 369 Y C -0.428 175.599 175.900 0.211 0.000 1.016 369 Y CA -0.738 57.529 58.100 0.279 0.000 1.196 369 Y CB 0.279 38.833 38.460 0.156 0.000 1.167 369 Y HN 0.586 nan 8.280 nan 0.000 0.509 370 F N 2.890 122.970 119.950 0.216 0.000 2.546 370 F HA 0.526 5.053 4.527 -0.000 0.000 0.320 370 F C -0.212 175.674 175.800 0.144 0.000 1.076 370 F CA -1.307 56.776 58.000 0.140 0.000 0.928 370 F CB 0.982 40.035 39.000 0.089 0.000 1.189 370 F HN 0.218 nan 8.300 nan 0.000 0.465 371 I N 0.352 121.072 120.570 0.250 0.000 3.514 371 I HA 0.703 4.873 4.170 -0.000 0.000 0.300 371 I C 1.078 177.288 176.117 0.156 0.000 1.194 371 I CA -0.304 61.093 61.300 0.160 0.000 0.968 371 I CB 1.239 39.285 38.000 0.077 0.000 1.418 371 I HN 0.691 nan 8.210 nan 0.000 0.614 372 G N 0.504 109.359 108.800 0.091 0.000 4.120 372 G HA2 0.014 3.974 3.960 -0.000 0.000 0.195 372 G HA3 0.014 3.974 3.960 -0.000 0.000 0.195 372 G C 0.415 175.327 174.900 0.019 0.000 1.420 372 G CA -0.201 44.940 45.100 0.069 0.000 0.981 372 G HN 0.530 nan 8.290 nan 0.000 0.496 373 N N 0.974 119.673 118.700 -0.003 0.000 2.229 373 N HA 0.233 4.973 4.740 -0.000 0.000 0.242 373 N C -0.045 175.418 175.510 -0.079 0.000 1.327 373 N CA 1.022 54.046 53.050 -0.044 0.000 0.896 373 N CB 0.413 38.858 38.487 -0.069 0.000 1.129 373 N HN 0.403 nan 8.380 nan 0.000 0.490 374 D N -2.133 118.198 120.400 -0.115 0.000 2.738 374 D HA 0.147 4.787 4.640 -0.000 0.000 0.345 374 D C -2.367 173.820 176.300 -0.189 0.000 1.465 374 D CA -0.376 53.541 54.000 -0.138 0.000 0.935 374 D CB -1.179 39.567 40.800 -0.089 0.000 1.543 374 D HN 0.287 nan 8.370 nan 0.000 0.399 375 P HA 0.170 nan 4.420 nan 0.000 0.271 375 P C 0.124 177.099 177.300 -0.541 0.000 1.212 375 P CA 0.324 63.207 63.100 -0.360 0.000 0.788 375 P CB 0.496 31.880 31.700 -0.527 0.000 0.865 376 A N 2.324 124.777 122.820 -0.611 0.000 2.587 376 A HA -0.070 4.250 4.320 -0.000 0.000 0.235 376 A C 0.663 177.813 177.584 -0.723 0.000 1.044 376 A CA 0.020 51.759 52.037 -0.497 0.000 0.754 376 A CB -0.465 18.415 19.000 -0.199 0.000 0.968 376 A HN 0.627 nan 8.150 nan 0.000 0.509 377 R N 1.739 122.039 120.500 -0.334 0.000 4.237 377 R HA -0.168 4.172 4.340 -0.000 0.000 0.171 377 R C -0.301 176.049 176.300 0.084 0.000 0.417 377 R CA 1.031 57.048 56.100 -0.138 0.000 0.895 377 R CB -0.221 30.071 30.300 -0.013 0.000 1.009 377 R HN 0.834 nan 8.270 nan 0.000 0.271 378 W N 4.067 125.343 121.300 -0.040 0.000 4.409 378 W HA 0.118 4.778 4.660 -0.000 0.000 0.188 378 W C 0.507 177.009 176.519 -0.029 0.000 2.080 378 W CA -0.154 57.162 57.345 -0.049 0.000 2.369 378 W CB -1.220 28.191 29.460 -0.082 0.000 1.412 378 W HN 0.360 nan 8.180 nan 0.000 0.720 379 L N 1.898 123.307 121.223 0.309 0.000 2.516 379 L HA 0.469 4.809 4.340 -0.000 0.000 0.288 379 L C -0.033 176.887 176.870 0.084 0.000 1.246 379 L CA 0.841 55.779 54.840 0.164 0.000 0.844 379 L CB -0.462 41.692 42.059 0.158 0.000 1.106 379 L HN -0.151 nan 8.230 nan 0.000 0.509 380 T N 0.611 115.194 114.554 0.049 0.000 3.012 380 T HA 0.506 4.856 4.350 -0.000 0.000 0.330 380 T C -0.641 174.055 174.700 -0.006 0.000 1.321 380 T CA -0.647 61.464 62.100 0.019 0.000 1.067 380 T CB 1.909 70.785 68.868 0.014 0.000 1.235 380 T HN 0.716 nan 8.240 nan 0.000 0.479 381 V N 1.085 120.988 119.914 -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 -0.937 61.342 62.300 -0.036 0.000 0.913 381 V CB 1.752 33.566 31.823 -0.016 0.000 0.992 381 V HN 0.874 nan 8.190 nan 0.000 0.449 382 N N 3.396 122.059 118.700 -0.062 0.000 2.414 382 N HA 0.276 5.016 4.740 -0.000 0.000 0.256 382 N C 0.544 176.037 175.510 -0.028 0.000 1.029 382 N CA -0.369 52.649 53.050 -0.053 0.000 0.948 382 N CB 1.613 40.064 38.487 -0.060 0.000 1.102 382 N HN 0.818 nan 8.380 nan 0.000 0.496 383 K N 1.746 122.135 120.400 -0.018 0.000 2.217 383 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 383 K C -0.057 176.701 176.600 0.263 0.000 1.051 383 K CA 0.954 57.275 56.287 0.056 0.000 0.952 383 K CB 0.360 32.748 32.500 -0.187 0.000 0.736 383 K HN 0.588 nan 8.250 nan 0.000 0.453 384 D N -0.140 120.352 120.400 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 0.182 41.032 40.800 0.085 0.000 0.946 384 D HN 0.261 nan 8.370 nan 0.000 0.505 385 N N -0.130 118.630 118.700 0.101 0.000 1.958 385 N HA 0.050 4.790 4.740 -0.000 0.000 0.223 385 N C 0.286 175.546 175.510 -0.416 0.000 1.395 385 N CA 0.001 53.008 53.050 -0.072 0.000 0.737 385 N CB 0.818 39.275 38.487 -0.049 0.000 1.155 385 N HN 0.013 nan 8.380 nan 0.000 0.529 386 G N 2.459 110.742 108.800 -0.861 0.000 2.247 386 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.265 386 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.265 386 G C -0.434 174.187 174.900 -0.465 0.000 0.861 386 G CA 0.617 45.059 45.100 -1.096 0.000 1.289 386 G HN 0.383 nan 8.290 nan 0.000 0.403 387 I N 0.681 121.095 120.570 -0.261 0.000 2.439 387 I HA 0.297 4.467 4.170 -0.000 0.000 0.285 387 I C 0.147 176.200 176.117 -0.107 0.000 1.021 387 I CA -1.158 60.048 61.300 -0.157 0.000 1.091 387 I CB 2.129 40.063 38.000 -0.111 0.000 1.242 387 I HN -0.030 nan 8.210 nan 0.000 0.439 388 V N 5.083 124.943 119.914 -0.090 0.000 2.348 388 V HA 0.336 4.456 4.120 -0.000 0.000 0.270 388 V C 0.665 176.741 176.094 -0.029 0.000 1.037 388 V CA -0.339 61.930 62.300 -0.053 0.000 0.872 388 V CB 0.974 32.767 31.823 -0.051 0.000 1.002 388 V HN 0.889 nan 8.190 nan 0.000 0.464 389 T N 1.647 116.192 114.554 -0.016 0.000 2.937 389 T HA 0.758 5.108 4.350 -0.000 0.000 0.283 389 T C 0.213 174.921 174.700 0.014 0.000 1.012 389 T CA -0.413 61.682 62.100 -0.008 0.000 0.997 389 T CB 2.005 70.865 68.868 -0.013 0.000 1.136 389 T HN 0.811 nan 8.240 nan 0.000 0.551 390 G N 0.869 109.674 108.800 0.008 0.000 2.744 390 G HA2 0.492 4.452 3.960 -0.000 0.000 0.309 390 G HA3 0.492 4.452 3.960 -0.000 0.000 0.309 390 G C -0.743 174.157 174.900 0.001 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 0.575 176.087 175.510 0.003 0.000 1.182 391 N CA 0.210 53.270 53.050 0.017 0.000 0.969 391 N CB 1.749 40.260 38.487 0.040 0.000 1.201 391 N HN 0.861 nan 8.380 nan 0.000 0.523 392 G N 0.538 109.321 108.800 -0.029 0.000 2.757 392 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.638 392 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.638 392 G C -1.026 173.750 174.900 -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 -0.780 117.777 118.700 -0.237 0.000 2.419 393 N HA 0.688 5.428 4.740 -0.000 0.000 0.277 393 N C 0.011 175.221 175.510 -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 1.684 122.577 121.223 -0.550 0.000 2.260 394 L HA 0.644 4.984 4.340 -0.000 0.000 0.265 394 L C -0.680 175.971 176.870 -0.365 0.000 1.015 394 L CA -0.583 53.799 54.840 -0.764 0.000 0.826 394 L CB 1.514 43.054 42.059 -0.865 0.000 1.373 394 L HN 0.550 nan 8.230 nan 0.000 0.450 395 D N -1.541 118.694 120.400 -0.275 0.000 2.266 395 D HA 0.184 4.824 4.640 -0.000 0.000 0.218 395 D C 0.410 176.681 176.300 -0.048 0.000 1.311 395 D CA -0.320 53.611 54.000 -0.115 0.000 0.918 395 D CB 0.832 41.598 40.800 -0.057 0.000 1.530 395 D HN 0.452 nan 8.370 nan 0.000 0.514 396 R N 1.467 121.944 120.500 -0.037 0.000 2.133 396 R HA -0.214 4.126 4.340 -0.000 0.000 0.247 396 R C 0.935 177.262 176.300 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 30.543 30.300 0.027 0.000 0.866 396 R HN 0.280 nan 8.270 nan 0.000 0.447 397 E N -0.678 119.539 120.200 0.029 0.000 2.333 397 E HA -0.133 4.217 4.350 -0.000 0.000 0.200 397 E C 1.266 177.897 176.600 0.051 0.000 1.010 397 E CA 1.354 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 -2.500 113.243 115.700 0.073 0.000 2.597 398 S HA 0.087 4.557 4.470 -0.000 0.000 0.275 398 S C 1.278 175.922 174.600 0.073 0.000 1.040 398 S CA 0.258 58.501 58.200 0.071 0.000 1.187 398 S CB 0.112 63.340 63.200 0.047 0.000 0.988 398 S HN 0.216 nan 8.310 nan 0.000 0.490 399 E N -0.824 119.447 120.200 0.118 0.000 2.357 399 E HA 0.212 4.562 4.350 -0.000 0.000 0.202 399 E C 1.078 177.662 176.600 -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 1.070 121.440 120.300 0.116 0.000 2.231 400 Y HA 0.115 4.665 4.550 0.000 0.000 0.294 400 Y C 0.802 176.801 175.900 0.165 0.000 1.120 400 Y CA 0.389 58.576 58.100 0.144 0.000 1.141 400 Y CB 0.094 38.680 38.460 0.211 0.000 1.022 400 Y HN -0.163 nan 8.280 nan 0.000 0.523 401 V N 2.935 123.075 119.914 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 0.546 63.011 62.300 0.275 0.000 1.194 401 V CB 0.081 32.035 31.823 0.219 0.000 0.879 401 V HN 0.369 nan 8.190 nan 0.000 0.482 402 K N 3.435 123.918 120.400 0.138 0.000 2.786 402 K HA 0.178 4.498 4.320 -0.000 0.000 0.224 402 K C 0.880 177.515 176.600 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 1.310 120.035 118.700 0.041 0.000 2.328 403 N HA -0.065 4.675 4.740 -0.000 0.000 0.277 403 N C 0.322 175.846 175.510 0.023 0.000 1.286 403 N CA 0.281 53.344 53.050 0.021 0.000 0.949 403 N CB 0.137 38.625 38.487 0.001 0.000 1.136 403 N HN 0.130 nan 8.380 nan 0.000 0.550 404 N N -1.279 117.416 118.700 -0.009 0.000 2.760 404 N HA -0.120 4.620 4.740 -0.000 0.000 0.200 404 N C 0.048 175.544 175.510 -0.024 0.000 1.306 404 N CA 0.412 53.449 53.050 -0.022 0.000 0.957 404 N CB -0.063 38.359 38.487 -0.110 0.000 1.041 404 N HN 0.531 nan 8.380 nan 0.000 0.448 405 T N -1.825 112.741 114.554 0.020 0.000 2.810 405 T HA 0.220 4.570 4.350 -0.000 0.000 0.277 405 T C -0.971 173.867 174.700 0.230 0.000 0.973 405 T CA -0.322 61.821 62.100 0.071 0.000 0.949 405 T CB 0.815 69.700 68.868 0.028 0.000 1.075 405 T HN 0.141 nan 8.240 nan 0.000 0.537 406 Y N 0.714 121.048 120.300 0.057 0.000 2.237 406 Y HA 0.322 4.872 4.550 -0.000 0.000 0.316 406 Y C -0.866 175.053 175.900 0.031 0.000 1.236 406 Y CA -0.749 57.394 58.100 0.071 0.000 1.257 406 Y CB 0.656 39.212 38.460 0.161 0.000 1.272 406 Y HN 1.009 nan 8.280 nan 0.000 0.394 407 T N 3.119 117.368 114.554 -0.508 0.000 2.823 407 T HA 0.881 5.231 4.350 -0.000 0.000 0.279 407 T C -0.863 173.531 174.700 -0.510 0.000 0.998 407 T CA -0.846 61.042 62.100 -0.353 0.000 0.994 407 T CB 2.132 70.875 68.868 -0.208 0.000 0.960 407 T HN 0.343 nan 8.240 nan 0.000 0.448 408 V N 2.985 122.716 119.914 -0.305 0.000 2.888 408 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 408 V C -0.635 175.386 176.094 -0.120 0.000 1.114 408 V CA -1.019 61.135 62.300 -0.244 0.000 0.940 408 V CB 2.001 33.711 31.823 -0.189 0.000 1.021 408 V HN 0.909 nan 8.190 nan 0.000 0.426 409 I N 4.036 124.558 120.570 -0.080 0.000 2.693 409 I HA 0.689 4.859 4.170 -0.000 0.000 0.303 409 I C -0.269 175.861 176.117 0.022 0.000 1.025 409 I CA -0.559 60.733 61.300 -0.014 0.000 1.086 409 I CB 1.999 40.007 38.000 0.014 0.000 1.268 409 I HN 0.465 nan 8.210 nan 0.000 0.440 410 M N 4.440 124.088 119.600 0.081 0.000 2.704 410 M HA 0.641 5.121 4.480 -0.000 0.000 0.284 410 M C -1.243 175.325 176.300 0.448 0.000 1.275 410 M CA -0.781 54.611 55.300 0.154 0.000 0.811 410 M CB 2.638 35.238 32.600 0.000 0.000 1.741 410 M HN 0.369 nan 8.290 nan 0.000 0.458 411 L N 0.400 121.918 121.223 0.491 0.000 2.257 411 L HA 0.952 5.292 4.340 -0.000 0.000 0.257 411 L C -1.204 175.958 176.870 0.487 0.000 1.033 411 L CA -1.131 53.985 54.840 0.461 0.000 0.835 411 L CB 2.556 44.717 42.059 0.170 0.000 1.398 411 L HN 0.539 nan 8.230 nan 0.000 0.429 412 V N -0.406 119.565 119.914 0.094 0.000 3.000 412 V HA 0.522 4.642 4.120 -0.000 0.000 0.300 412 V C -1.317 174.677 176.094 -0.167 0.000 1.251 412 V CA -0.080 62.212 62.300 -0.014 0.000 0.972 412 V CB 2.388 34.118 31.823 -0.155 0.000 1.065 412 V HN 0.785 nan 8.190 nan 0.000 0.431 413 T N 3.153 117.607 114.554 -0.168 0.000 2.824 413 T HA 0.438 4.788 4.350 -0.000 0.000 0.282 413 T C -1.095 173.512 174.700 -0.155 0.000 0.993 413 T CA -0.314 61.674 62.100 -0.187 0.000 0.967 413 T CB 1.228 69.945 68.868 -0.251 0.000 0.960 413 T HN 0.981 nan 8.240 nan 0.000 0.441 414 D N 4.107 124.425 120.400 -0.137 0.000 2.374 414 D HA 0.249 4.889 4.640 -0.000 0.000 0.240 414 D C 0.025 176.277 176.300 -0.081 0.000 1.229 414 D CA 0.096 54.032 54.000 -0.106 0.000 0.895 414 D CB 0.367 41.113 40.800 -0.090 0.000 1.046 414 D HN 0.528 nan 8.370 nan 0.000 0.498 415 D N 1.807 122.168 120.400 -0.066 0.000 2.723 415 D HA 0.534 5.174 4.640 -0.000 0.000 0.247 415 D C 1.067 177.347 176.300 -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 -1.003 107.784 108.800 -0.021 0.000 2.527 416 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 416 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 416 G C 0.869 175.760 174.900 -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 -4.475 115.427 119.914 -0.021 0.000 3.309 417 V HA 0.729 4.849 4.120 -0.000 0.000 0.268 417 V C 0.935 177.015 176.094 -0.024 0.000 1.631 417 V CA 1.535 63.823 62.300 -0.020 0.000 1.018 417 V CB 0.420 32.233 31.823 -0.017 0.000 0.841 417 V HN 1.223 nan 8.190 nan 0.000 0.418 418 S N -1.160 114.522 115.700 -0.031 0.000 5.830 418 S HA 0.642 5.112 4.470 -0.000 0.000 0.119 418 S C -0.490 174.084 174.600 -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 64.441 63.200 -0.034 0.000 2.079 418 S HN 0.405 nan 8.310 nan 0.000 0.649 419 V N 0.027 119.910 119.914 -0.051 0.000 3.242 419 V HA 0.765 4.885 4.120 -0.000 0.000 0.298 419 V C -0.669 175.382 176.094 -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 -0.059 0.000 1.101 419 V HN 1.008 nan 8.190 nan 0.000 0.446 420 G N 0.629 109.374 108.800 -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 44.896 45.100 -0.099 0.000 0.847 420 G HN 0.695 nan 8.290 nan 0.000 0.598 421 T N -0.444 114.039 114.554 -0.118 0.000 2.916 421 T HA 0.767 5.117 4.350 -0.000 0.000 0.305 421 T C -0.104 174.505 174.700 -0.153 0.000 1.119 421 T CA -0.014 62.005 62.100 -0.134 0.000 1.008 421 T CB 2.155 70.961 68.868 -0.104 0.000 1.129 421 T HN 1.530 nan 8.240 nan 0.000 0.480 422 G N 1.696 110.368 108.800 -0.214 0.000 2.845 422 G HA2 0.506 4.466 3.960 -0.000 0.000 0.282 422 G HA3 0.506 4.466 3.960 -0.000 0.000 0.282 422 G C -0.506 174.217 174.900 -0.294 0.000 1.546 422 G CA -0.626 44.269 45.100 -0.341 0.000 1.089 422 G HN 0.647 nan 8.290 nan 0.000 0.558 423 T N 1.074 115.580 114.554 -0.080 0.000 2.727 423 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 423 T C 0.491 175.326 174.700 0.225 0.000 0.942 423 T CA -0.326 61.831 62.100 0.095 0.000 0.997 423 T CB 1.767 70.673 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 -0.750 44.676 45.100 0.544 0.000 0.958 424 G HN 0.604 nan 8.290 nan 0.000 0.499 425 T N 2.211 116.836 114.554 0.119 0.000 2.882 425 T HA 0.571 4.921 4.350 -0.000 0.000 0.287 425 T C -0.243 174.451 174.700 -0.010 0.000 1.014 425 T CA -0.500 61.618 62.100 0.031 0.000 1.049 425 T CB 1.626 70.507 68.868 0.021 0.000 1.001 425 T HN 0.453 nan 8.240 nan 0.000 0.525 426 L N 3.260 124.457 121.223 -0.043 0.000 2.541 426 L HA 0.555 4.895 4.340 -0.000 0.000 0.266 426 L C -1.294 175.550 176.870 -0.042 0.000 0.966 426 L CA -0.708 54.103 54.840 -0.048 0.000 0.871 426 L CB 1.111 43.124 42.059 -0.077 0.000 1.232 426 L HN 0.830 nan 8.230 nan 0.000 0.408 427 I N 6.992 127.553 120.570 -0.015 0.000 2.359 427 I HA 0.455 4.625 4.170 -0.000 0.000 0.294 427 I C -1.133 175.012 176.117 0.047 0.000 0.987 427 I CA -0.783 60.516 61.300 -0.002 0.000 1.225 427 I CB 1.478 39.474 38.000 -0.005 0.000 1.366 427 I HN 0.715 nan 8.210 nan 0.000 0.466 428 L N 6.006 127.287 121.223 0.097 0.000 2.376 428 L HA 0.505 4.845 4.340 -0.000 0.000 0.275 428 L C -0.847 176.139 176.870 0.194 0.000 0.987 428 L CA -0.759 54.168 54.840 0.145 0.000 0.828 428 L CB 1.448 43.609 42.059 0.169 0.000 1.249 428 L HN 0.609 nan 8.230 nan 0.000 0.409 429 H N 4.149 123.264 119.070 0.075 0.000 3.145 429 H HA 0.275 4.831 4.556 -0.000 0.000 0.263 429 H C -0.555 174.812 175.328 0.065 0.000 1.057 429 H CA 0.215 56.304 56.048 0.068 0.000 1.477 429 H CB 0.845 30.633 29.762 0.044 0.000 1.529 429 H HN 0.581 nan 8.280 nan 0.000 0.508 430 V N 6.609 126.750 119.914 0.378 0.000 3.083 430 V HA 0.207 4.327 4.120 -0.000 0.000 0.306 430 V C 0.847 177.088 176.094 0.244 0.000 1.077 430 V CA -0.555 61.882 62.300 0.228 0.000 1.073 430 V CB 1.495 33.411 31.823 0.156 0.000 1.081 430 V HN 0.597 nan 8.190 nan 0.000 0.474 431 L N 0.854 122.129 121.223 0.086 0.000 2.283 431 L HA 0.584 4.924 4.340 -0.000 0.000 0.259 431 L C -0.981 175.903 176.870 0.023 0.000 1.027 431 L CA -0.683 54.180 54.840 0.038 0.000 0.828 431 L CB 2.372 44.406 42.059 -0.041 0.000 1.380 431 L HN 0.622 nan 8.230 nan 0.000 0.425 432 D N 0.129 120.539 120.400 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 53.890 54.000 0.011 0.000 0.872 432 D CB 1.791 42.607 40.800 0.025 0.000 1.183 432 D HN 0.157 nan 8.370 nan 0.000 0.445 433 V N 2.089 121.999 119.914 -0.008 0.000 2.914 433 V HA 0.481 4.601 4.120 -0.000 0.000 0.314 433 V C -0.161 175.929 176.094 -0.007 0.000 1.084 433 V CA -1.246 61.045 62.300 -0.015 0.000 0.963 433 V CB 1.754 33.562 31.823 -0.025 0.000 1.025 433 V HN 0.538 nan 8.190 nan 0.000 0.432 434 N N 1.297 119.992 118.700 -0.008 0.000 2.645 434 N HA 0.261 5.001 4.740 -0.000 0.000 0.233 434 N C 0.092 175.600 175.510 -0.003 0.000 1.058 434 N CA -0.120 52.929 53.050 -0.002 0.000 0.942 434 N CB 0.562 39.046 38.487 -0.005 0.000 1.210 434 N HN 0.764 nan 8.380 nan 0.000 0.512 435 D N 1.228 121.628 120.400 -0.000 0.000 2.119 435 D HA -0.012 4.628 4.640 -0.000 0.000 0.231 435 D C 0.178 176.482 176.300 0.006 0.000 0.999 435 D CA 0.834 54.833 54.000 -0.002 0.000 0.915 435 D CB -0.129 40.669 40.800 -0.003 0.000 1.017 435 D HN 0.538 nan 8.370 nan 0.000 0.437 436 N N -0.206 118.502 118.700 0.013 0.000 2.207 436 N HA 0.373 5.113 4.740 -0.000 0.000 0.223 436 N C 0.184 175.712 175.510 0.030 0.000 1.339 436 N CA 0.373 53.436 53.050 0.021 0.000 0.889 436 N CB 0.213 38.715 38.487 0.025 0.000 1.128 436 N HN 0.305 nan 8.380 nan 0.000 0.456 437 G N -1.942 106.882 108.800 0.041 0.000 2.642 437 G HA2 0.531 4.491 3.960 -0.000 0.000 0.293 437 G HA3 0.531 4.491 3.960 -0.000 0.000 0.293 437 G C -2.928 172.026 174.900 0.090 0.000 1.341 437 G CA -1.369 43.767 45.100 0.061 0.000 0.916 437 G HN 0.421 nan 8.290 nan 0.000 0.474 438 P HA 0.159 nan 4.420 nan 0.000 0.266 438 P C -0.597 176.749 177.300 0.077 0.000 1.180 438 P CA 0.162 63.373 63.100 0.186 0.000 0.765 438 P CB 0.987 32.920 31.700 0.389 0.000 0.806 439 V N 3.469 123.398 119.914 0.025 0.000 2.891 439 V HA 0.287 4.407 4.120 -0.000 0.000 0.304 439 V C -2.537 173.536 176.094 -0.035 0.000 1.171 439 V CA -1.919 60.380 62.300 -0.002 0.000 0.943 439 V CB 2.311 34.137 31.823 0.004 0.000 1.037 439 V HN 0.395 nan 8.190 nan 0.000 0.427 440 P HA 0.200 nan 4.420 nan 0.000 0.271 440 P C 0.693 177.978 177.300 -0.025 0.000 1.216 440 P CA 0.081 63.160 63.100 -0.036 0.000 0.771 440 P CB 0.876 32.564 31.700 -0.020 0.000 0.864 441 S N 4.543 120.228 115.700 -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 0.660 58.850 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 62.645 63.100 0.058 0.000 0.800 442 P CB 1.043 32.800 31.700 0.095 0.000 0.961 443 R N 0.566 121.061 120.500 -0.009 0.000 2.365 443 R HA 0.288 4.628 4.340 -0.000 0.000 0.223 443 R C -0.315 175.832 176.300 -0.254 0.000 0.899 443 R CA 0.106 56.139 56.100 -0.113 0.000 1.059 443 R CB 0.626 30.862 30.300 -0.107 0.000 1.086 443 R HN 0.280 nan 8.270 nan 0.000 0.522 444 V N 1.242 121.056 119.914 -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 -0.911 61.234 62.300 -0.259 0.000 0.894 444 V CB 1.836 33.565 31.823 -0.157 0.000 1.008 444 V HN 0.012 nan 8.190 nan 0.000 0.425 445 F N 1.255 121.134 119.950 -0.118 0.000 2.452 445 F HA 0.722 5.249 4.527 -0.000 0.000 0.353 445 F C 0.636 176.393 175.800 -0.073 0.000 1.089 445 F CA -0.939 57.004 58.000 -0.094 0.000 1.080 445 F CB 1.676 40.611 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 0.231 4.581 4.350 -0.000 0.000 0.324 446 T C -0.392 174.367 174.700 0.098 0.000 0.992 446 T CA -0.536 61.626 62.100 0.102 0.000 1.414 446 T CB 0.312 69.217 68.868 0.061 0.000 0.935 446 T HN 0.308 nan 8.240 nan 0.000 0.544 447 M N 1.137 120.812 119.600 0.125 0.000 2.197 447 M HA 0.454 4.934 4.480 -0.000 0.000 0.305 447 M C 0.389 176.742 176.300 0.089 0.000 1.162 447 M CA -0.283 55.086 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 0.251 118.895 118.600 0.075 0.000 2.451 448 c HA 0.285 4.855 4.570 -0.000 0.000 0.391 448 c C 1.450 175.579 174.090 0.065 0.000 1.286 448 c CA -0.322 56.043 56.329 0.059 0.000 1.935 448 c CB 1.551 44.084 42.510 0.038 0.000 2.188 448 c HN 0.907 nan 8.230 nan 0.000 0.523 449 D N -0.501 119.928 120.400 0.049 0.000 2.306 449 D HA -0.043 4.597 4.640 -0.000 0.000 0.239 449 D C 1.855 178.172 176.300 0.028 0.000 1.105 449 D CA 1.229 55.254 54.000 0.043 0.000 0.950 449 D CB -0.224 40.597 40.800 0.035 0.000 1.036 449 D HN 0.523 nan 8.370 nan 0.000 0.428 450 Q N -0.023 119.788 119.800 0.019 0.000 2.047 450 Q HA -0.164 4.176 4.340 -0.000 0.000 0.211 450 Q C 0.223 176.228 176.000 0.009 0.000 1.005 450 Q CA 1.472 57.281 55.803 0.011 0.000 0.866 450 Q CB -0.479 28.265 28.738 0.009 0.000 0.938 450 Q HN 0.337 nan 8.270 nan 0.000 0.414 451 N N -0.422 118.286 118.700 0.013 0.000 2.751 451 N HA 0.224 4.964 4.740 -0.000 0.000 0.234 451 N C -2.853 172.666 175.510 0.016 0.000 1.403 451 N CA -0.827 52.230 53.050 0.011 0.000 0.747 451 N CB 1.611 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 -0.237 177.076 177.300 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 4.278 124.481 120.200 0.005 0.000 2.318 453 E HA 0.435 4.785 4.350 -0.000 0.000 0.265 453 E C -2.319 174.268 176.600 -0.022 0.000 1.069 453 E CA -2.572 53.823 56.400 -0.007 0.000 0.893 453 E CB -0.477 29.214 29.700 -0.015 0.000 1.076 453 E HN 0.245 nan 8.360 nan 0.000 0.414 454 P HA -0.138 nan 4.420 nan 0.000 0.261 454 P C -1.082 176.149 177.300 -0.114 0.000 1.158 454 P CA 0.457 63.528 63.100 -0.048 0.000 0.758 454 P CB 0.295 31.972 31.700 -0.039 0.000 0.763 455 Q N 3.616 123.299 119.800 -0.195 0.000 2.377 455 Q HA 0.240 4.580 4.340 -0.000 0.000 0.249 455 Q C -0.867 174.927 176.000 -0.342 0.000 1.005 455 Q CA -0.381 55.187 55.803 -0.392 0.000 0.912 455 Q CB 0.057 28.297 28.738 -0.831 0.000 1.223 455 Q HN 0.179 nan 8.270 nan 0.000 0.459 456 V N 5.319 125.091 119.914 -0.236 0.000 2.655 456 V HA 0.214 4.334 4.120 -0.000 0.000 0.300 456 V C 0.074 176.064 176.094 -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 0.749 nan 8.190 nan 0.000 0.485 457 L N 4.440 125.587 121.223 -0.127 0.000 2.465 457 L HA 0.852 5.192 4.340 -0.000 0.000 0.257 457 L C -0.052 176.769 176.870 -0.082 0.000 0.988 457 L CA 0.112 54.901 54.840 -0.084 0.000 0.827 457 L CB 2.720 44.742 42.059 -0.062 0.000 1.397 457 L HN 0.919 nan 8.230 nan 0.000 0.410 458 T N 0.004 114.512 114.554 -0.077 0.000 2.742 458 T HA 0.809 5.159 4.350 -0.000 0.000 0.282 458 T C -0.888 173.731 174.700 -0.136 0.000 1.025 458 T CA -0.675 61.361 62.100 -0.107 0.000 1.020 458 T CB 1.419 70.234 68.868 -0.089 0.000 1.317 458 T HN 0.324 nan 8.240 nan 0.000 0.538 459 I N 1.464 121.917 120.570 -0.194 0.000 2.689 459 I HA 0.670 4.840 4.170 -0.000 0.000 0.299 459 I C -0.407 175.619 176.117 -0.152 0.000 1.059 459 I CA -0.524 60.630 61.300 -0.244 0.000 1.055 459 I CB 2.538 40.189 38.000 -0.582 0.000 1.243 459 I HN 0.996 nan 8.210 nan 0.000 0.425 460 S N 2.541 118.200 115.700 -0.069 0.000 2.548 460 S HA 0.666 5.136 4.470 -0.000 0.000 0.276 460 S C -1.550 173.084 174.600 0.058 0.000 1.129 460 S CA -0.872 57.329 58.200 0.003 0.000 0.931 460 S CB 2.117 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 1.037 121.490 120.400 0.089 0.000 2.481 461 D HA 0.611 5.251 4.640 -0.000 0.000 0.244 461 D C 0.619 176.956 176.300 0.062 0.000 1.057 461 D CA -0.593 53.465 54.000 0.095 0.000 0.848 461 D CB 2.249 43.129 40.800 0.133 0.000 1.388 461 D HN 0.659 nan 8.370 nan 0.000 0.475 462 A N 2.945 125.794 122.820 0.049 0.000 2.208 462 A HA 0.032 4.352 4.320 -0.000 0.000 0.209 462 A C 0.701 178.308 177.584 0.038 0.000 1.161 462 A CA 0.447 52.507 52.037 0.038 0.000 0.782 462 A CB 0.156 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 -0.679 119.745 120.400 0.042 0.000 2.383 463 D HA 0.360 5.000 4.640 -0.000 0.000 0.248 463 D C -0.411 175.915 176.300 0.042 0.000 1.170 463 D CA -0.121 53.901 54.000 0.037 0.000 0.977 463 D CB 1.003 41.822 40.800 0.031 0.000 1.120 463 D HN 0.169 nan 8.370 nan 0.000 0.481 464 I N 0.442 121.036 120.570 0.039 0.000 2.498 464 I HA 0.319 4.489 4.170 -0.000 0.000 0.301 464 I C -2.568 173.574 176.117 0.042 0.000 0.984 464 I CA -2.702 58.624 61.300 0.043 0.000 1.204 464 I CB 1.328 39.354 38.000 0.044 0.000 1.362 464 I HN 0.013 nan 8.210 nan 0.000 0.471 465 P HA 0.134 nan 4.420 nan 0.000 0.267 465 P C -2.156 175.166 177.300 0.037 0.000 1.200 465 P CA -0.336 62.797 63.100 0.055 0.000 0.772 465 P CB -0.011 31.728 31.700 0.065 0.000 0.855 466 P HA -0.048 nan 4.420 nan 0.000 0.220 466 P C 0.629 177.966 177.300 0.060 0.000 1.152 466 P CA 1.157 64.282 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 -0.828 117.890 118.700 0.029 0.000 2.653 467 N HA -0.183 4.557 4.740 -0.000 0.000 0.207 467 N C 0.664 176.181 175.510 0.012 0.000 1.074 467 N CA 1.535 54.595 53.050 0.016 0.000 0.951 467 N CB -0.369 38.127 38.487 0.014 0.000 0.956 467 N HN 0.342 nan 8.380 nan 0.000 0.457 468 T N -4.858 109.717 114.554 0.034 0.000 3.209 468 T HA 0.051 4.401 4.350 -0.000 0.000 0.295 468 T C 0.104 174.787 174.700 -0.028 0.000 0.977 468 T CA -0.706 61.401 62.100 0.012 0.000 0.922 468 T CB -0.359 68.561 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 0.295 4.845 4.550 0.000 0.000 0.355 469 Y C -2.200 173.549 175.900 -0.252 0.000 1.266 469 Y CA -0.754 57.286 58.100 -0.099 0.000 1.514 469 Y CB -0.118 38.294 38.460 -0.079 0.000 1.363 469 Y HN 0.034 nan 8.280 nan 0.000 0.677 470 P HA -0.172 nan 4.420 nan 0.000 0.270 470 P C -1.358 175.677 177.300 -0.441 0.000 1.181 470 P CA 1.280 64.058 63.100 -0.537 0.000 0.767 470 P CB 0.121 31.422 31.700 -0.666 0.000 0.799 471 Y N 0.758 121.013 120.300 -0.076 0.000 2.518 471 Y HA 0.557 5.107 4.550 0.000 0.000 0.332 471 Y C 0.933 176.836 175.900 0.004 0.000 1.276 471 Y CA -0.075 58.014 58.100 -0.020 0.000 1.418 471 Y CB 1.114 39.557 38.460 -0.028 0.000 1.527 471 Y HN 0.100 nan 8.280 nan 0.000 0.549 472 K N 0.752 121.277 120.400 0.209 0.000 2.690 472 K HA 0.388 4.708 4.320 -0.000 0.000 0.264 472 K C -1.929 174.748 176.600 0.128 0.000 1.040 472 K CA -0.331 56.030 56.287 0.124 0.000 0.946 472 K CB 1.908 34.453 32.500 0.077 0.000 1.268 472 K HN 0.319 nan 8.250 nan 0.000 0.473 473 V N 1.856 121.831 119.914 0.102 0.000 2.649 473 V HA 0.408 4.528 4.120 -0.000 0.000 0.292 473 V C 0.061 176.198 176.094 0.072 0.000 1.055 473 V CA -0.202 62.145 62.300 0.078 0.000 1.023 473 V CB 1.576 33.431 31.823 0.053 0.000 0.992 473 V HN 0.722 nan 8.190 nan 0.000 0.480 474 S N 4.347 120.089 115.700 0.071 0.000 2.546 474 S HA 0.655 5.125 4.470 -0.000 0.000 0.272 474 S C -0.971 173.678 174.600 0.083 0.000 1.140 474 S CA -0.613 57.630 58.200 0.072 0.000 0.920 474 S CB 1.512 64.751 63.200 0.065 0.000 1.083 474 S HN 0.518 nan 8.310 nan 0.000 0.476 475 L N 2.354 123.635 121.223 0.096 0.000 2.318 475 L HA 0.468 4.808 4.340 -0.000 0.000 0.277 475 L C 1.156 178.103 176.870 0.128 0.000 1.008 475 L CA -0.355 54.560 54.840 0.125 0.000 0.846 475 L CB 1.573 43.723 42.059 0.152 0.000 1.220 475 L HN 0.727 nan 8.230 nan 0.000 0.423 476 S N 1.947 117.723 115.700 0.127 0.000 2.459 476 S HA -0.170 4.300 4.470 -0.000 0.000 0.204 476 S C 1.669 176.340 174.600 0.118 0.000 1.102 476 S CA 1.218 59.469 58.200 0.084 0.000 1.258 476 S CB -0.044 63.158 63.200 0.003 0.000 1.033 476 S HN 0.762 nan 8.310 nan 0.000 0.398 477 H N -0.634 118.377 119.070 -0.100 0.000 2.276 477 H HA 0.142 4.698 4.556 -0.000 0.000 0.307 477 H C 1.286 176.662 175.328 0.081 0.000 1.061 477 H CA 0.551 56.563 56.048 -0.060 0.000 1.336 477 H CB -0.537 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 0.647 109.613 108.800 0.277 0.000 3.008 478 G HA2 0.025 3.985 3.960 -0.000 0.000 0.272 478 G HA3 0.025 3.985 3.960 -0.000 0.000 0.272 478 G C 0.739 175.809 174.900 0.283 0.000 0.764 478 G CA 0.263 45.524 45.100 0.268 0.000 2.029 478 G HN 0.424 nan 8.290 nan 0.000 0.587 479 S N -0.306 115.503 115.700 0.181 0.000 2.575 479 S HA 0.155 4.625 4.470 -0.000 0.000 0.215 479 S C 0.229 174.920 174.600 0.151 0.000 0.966 479 S CA -0.236 58.066 58.200 0.171 0.000 0.911 479 S CB 0.566 63.835 63.200 0.115 0.000 0.780 479 S HN 0.233 nan 8.310 nan 0.000 0.514 480 D N 0.006 120.485 120.400 0.132 0.000 2.491 480 D HA 0.342 4.982 4.640 -0.000 0.000 0.232 480 D C -1.022 175.291 176.300 0.021 0.000 1.334 480 D CA -0.112 53.922 54.000 0.057 0.000 0.909 480 D CB 1.041 41.852 40.800 0.018 0.000 1.513 480 D HN 0.192 nan 8.370 nan 0.000 0.514 481 L N 0.981 122.201 121.223 -0.004 0.000 3.635 481 L HA 0.219 4.559 4.340 -0.000 0.000 0.338 481 L C -0.577 176.079 176.870 -0.356 0.000 1.275 481 L CA 0.351 55.150 54.840 -0.069 0.000 1.092 481 L CB 0.412 42.555 42.059 0.140 0.000 1.465 481 L HN 0.349 nan 8.230 nan 0.000 0.625 482 T N -0.345 114.033 114.554 -0.294 0.000 1.377 482 T HA -0.206 4.144 4.350 -0.000 0.000 0.677 482 T C -0.987 173.268 174.700 -0.742 0.000 0.963 482 T CA 1.334 63.190 62.100 -0.406 0.000 3.590 482 T CB -1.171 67.455 68.868 -0.404 0.000 2.055 482 T HN 0.407 nan 8.240 nan 0.000 0.401 483 W N 1.974 123.319 121.300 0.075 0.000 3.624 483 W HA 0.555 5.215 4.660 0.000 0.000 0.312 483 W C -0.278 176.279 176.519 0.064 0.000 1.203 483 W CA -1.052 56.345 57.345 0.087 0.000 1.225 483 W CB 1.660 31.191 29.460 0.117 0.000 1.321 483 W HN 0.551 nan 8.180 nan 0.000 0.506 484 K N 2.315 122.914 120.400 0.333 0.000 2.541 484 K HA 0.778 5.098 4.320 -0.000 0.000 0.250 484 K C -0.352 176.341 176.600 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 34.080 32.500 0.118 0.000 1.166 484 K HN 0.535 nan 8.250 nan 0.000 0.430 485 A N 3.626 126.518 122.820 0.120 0.000 2.407 485 A HA 0.403 4.723 4.320 -0.000 0.000 0.248 485 A C -0.611 177.004 177.584 0.051 0.000 1.082 485 A CA 0.222 52.306 52.037 0.078 0.000 0.785 485 A CB 0.421 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 0.526 120.743 120.200 0.028 0.000 2.388 486 E HA 0.334 4.684 4.350 -0.000 0.000 0.282 486 E C -1.670 174.926 176.600 -0.005 0.000 1.026 486 E CA -0.453 55.956 56.400 0.015 0.000 0.820 486 E CB 1.345 31.053 29.700 0.013 0.000 1.226 486 E HN 0.575 nan 8.360 nan 0.000 0.432 487 L N 1.155 122.376 121.223 -0.004 0.000 2.331 487 L HA 0.416 4.756 4.340 -0.000 0.000 0.275 487 L C 0.597 177.455 176.870 -0.020 0.000 1.022 487 L CA -0.866 53.963 54.840 -0.018 0.000 0.812 487 L CB 1.229 43.286 42.059 -0.004 0.000 1.257 487 L HN 0.440 nan 8.230 nan 0.000 0.435 488 D N 0.526 120.906 120.400 -0.034 0.000 2.362 488 D HA 0.015 4.655 4.640 -0.000 0.000 0.242 488 D C 0.982 177.269 176.300 -0.021 0.000 1.132 488 D CA 0.139 54.120 54.000 -0.030 0.000 0.907 488 D CB 1.669 42.445 40.800 -0.041 0.000 1.195 488 D HN 0.664 nan 8.370 nan 0.000 0.429 489 S N 2.979 118.670 115.700 -0.015 0.000 2.345 489 S HA -0.211 4.259 4.470 -0.000 0.000 0.220 489 S C 1.388 175.981 174.600 -0.012 0.000 1.031 489 S CA 0.842 59.037 58.200 -0.009 0.000 0.996 489 S CB -0.161 63.036 63.200 -0.005 0.000 0.882 489 S HN 0.552 nan 8.310 nan 0.000 0.445 490 K N 1.988 122.379 120.400 -0.015 0.000 3.358 490 K HA 0.266 4.586 4.320 -0.000 0.000 0.297 490 K C 1.304 177.888 176.600 -0.026 0.000 1.064 490 K CA 0.481 56.758 56.287 -0.016 0.000 1.144 490 K CB -1.212 31.280 32.500 -0.014 0.000 1.289 490 K HN 0.568 nan 8.250 nan 0.000 0.372 491 G N 0.083 108.864 108.800 -0.031 0.000 5.260 491 G HA2 -0.530 3.430 3.960 -0.000 0.000 0.276 491 G HA3 -0.530 3.430 3.960 -0.000 0.000 0.276 491 G C 1.065 175.927 174.900 -0.063 0.000 1.357 491 G CA 1.003 46.080 45.100 -0.039 0.000 1.008 491 G HN 0.476 nan 8.290 nan 0.000 0.777 492 T N 1.277 115.787 114.554 -0.073 0.000 2.685 492 T HA -0.010 4.340 4.350 -0.000 0.000 0.268 492 T C 1.702 176.308 174.700 -0.156 0.000 1.034 492 T CA 2.890 64.917 62.100 -0.122 0.000 1.149 492 T CB -0.672 68.147 68.868 -0.082 0.000 0.860 492 T HN 1.869 nan 8.240 nan 0.000 0.449 493 S N 0.749 116.383 115.700 -0.110 0.000 2.713 493 S HA 0.670 5.140 4.470 -0.000 0.000 0.283 493 S C -0.211 174.329 174.600 -0.101 0.000 1.161 493 S CA -1.013 57.122 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 0.583 120.127 119.600 -0.093 0.000 2.457 494 M HA 0.577 5.057 4.480 -0.000 0.000 0.300 494 M C -1.881 174.381 176.300 -0.063 0.000 1.141 494 M CA -0.831 54.427 55.300 -0.070 0.000 0.901 494 M CB 1.468 34.026 32.600 -0.068 0.000 1.687 494 M HN 0.522 nan 8.290 nan 0.000 0.449 495 L N 3.783 124.981 121.223 -0.041 0.000 2.255 495 L HA 0.501 4.841 4.340 -0.000 0.000 0.289 495 L C -1.041 175.820 176.870 -0.015 0.000 1.046 495 L CA -0.717 54.100 54.840 -0.039 0.000 0.816 495 L CB 1.088 43.135 42.059 -0.021 0.000 1.197 495 L HN 0.627 nan 8.230 nan 0.000 0.427 496 L N 3.405 124.602 121.223 -0.043 0.000 2.265 496 L HA 0.507 4.847 4.340 -0.000 0.000 0.289 496 L C -0.344 176.582 176.870 0.093 0.000 1.033 496 L CA 0.511 55.358 54.840 0.012 0.000 0.814 496 L CB 1.317 43.326 42.059 -0.083 0.000 1.203 496 L HN 0.549 nan 8.230 nan 0.000 0.423 497 S N 5.498 121.326 115.700 0.213 0.000 2.548 497 S HA 0.629 5.099 4.470 -0.000 0.000 0.276 497 S C -2.572 172.205 174.600 0.294 0.000 1.129 497 S CA -0.886 57.455 58.200 0.235 0.000 0.931 497 S CB 2.052 65.315 63.200 0.105 0.000 1.068 497 S HN 0.335 nan 8.310 nan 0.000 0.480 498 P HA 0.277 nan 4.420 nan 0.000 0.300 498 P C 0.643 177.876 177.300 -0.112 0.000 1.294 498 P CA 0.163 63.132 63.100 -0.219 0.000 0.757 498 P CB 0.438 31.896 31.700 -0.404 0.000 1.377 499 T N -3.829 110.614 114.554 -0.185 0.000 3.416 499 T HA 0.092 4.442 4.350 -0.000 0.000 0.298 499 T C -0.464 174.161 174.700 -0.126 0.000 0.874 499 T CA -0.038 61.999 62.100 -0.106 0.000 0.901 499 T CB -0.285 68.548 68.868 -0.060 0.000 1.215 499 T HN 0.142 nan 8.240 nan 0.000 0.677 500 Q N 0.910 120.598 119.800 -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 55.128 55.803 -0.164 0.000 0.827 500 Q CB 1.854 30.470 28.738 -0.203 0.000 1.386 500 Q HN 0.354 nan 8.270 nan 0.000 0.443 501 Q N 1.379 121.116 119.800 -0.106 0.000 2.282 501 Q HA 0.164 4.504 4.340 -0.000 0.000 0.205 501 Q C 0.058 176.015 176.000 -0.072 0.000 0.915 501 Q CA -0.128 55.631 55.803 -0.074 0.000 0.949 501 Q CB 0.109 28.817 28.738 -0.050 0.000 1.035 501 Q HN 0.560 nan 8.270 nan 0.000 0.484 502 L N 1.996 123.148 121.223 -0.117 0.000 2.587 502 L HA -0.190 4.150 4.340 -0.000 0.000 0.315 502 L C 0.693 177.536 176.870 -0.044 0.000 1.288 502 L CA 0.931 55.698 54.840 -0.122 0.000 0.849 502 L CB 0.178 42.104 42.059 -0.222 0.000 1.080 502 L HN 0.316 nan 8.230 nan 0.000 0.541 503 K N 1.894 122.253 120.400 -0.069 0.000 2.505 503 K HA -0.087 4.233 4.320 -0.000 0.000 0.272 503 K C 0.036 176.689 176.600 0.089 0.000 0.963 503 K CA 0.040 56.320 56.287 -0.012 0.000 0.932 503 K CB 0.068 32.532 32.500 -0.060 0.000 0.924 503 K HN 0.319 nan 8.250 nan 0.000 0.520 504 K N 2.164 122.607 120.400 0.072 0.000 2.021 504 K HA 0.027 4.347 4.320 -0.000 0.000 0.238 504 K C 0.507 177.183 176.600 0.127 0.000 1.149 504 K CA 0.621 56.963 56.287 0.091 0.000 1.105 504 K CB -1.042 31.490 32.500 0.054 0.000 1.246 504 K HN 0.859 nan 8.250 nan 0.000 0.307 505 G N 3.073 111.989 108.800 0.193 0.000 2.860 505 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.553 505 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.553 505 G C -0.735 174.313 174.900 0.247 0.000 1.439 505 G CA -0.356 44.856 45.100 0.187 0.000 0.879 505 G HN 0.887 nan 8.290 nan 0.000 0.545 506 D N -1.521 118.953 120.400 0.123 0.000 3.478 506 D HA 0.011 4.651 4.640 -0.000 0.000 0.219 506 D C -0.277 176.140 176.300 0.196 0.000 1.143 506 D CA 1.952 56.000 54.000 0.080 0.000 1.047 506 D CB -1.776 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 -0.608 175.255 175.900 -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 4.089 119.769 115.700 -0.033 0.000 2.686 508 S HA 0.771 5.241 4.470 -0.000 0.000 0.270 508 S C -0.553 173.930 174.600 -0.194 0.000 1.194 508 S CA -0.514 57.537 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 0.401 120.734 120.570 -0.396 0.000 2.534 509 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 509 I C -1.969 173.989 176.117 -0.265 0.000 1.094 509 I CA -0.995 60.079 61.300 -0.377 0.000 1.055 509 I CB 1.017 38.556 38.000 -0.768 0.000 1.225 509 I HN 0.705 nan 8.210 nan 0.000 0.435 510 Y N 6.380 126.650 120.300 -0.050 0.000 2.436 510 Y HA 0.349 4.899 4.550 -0.000 0.000 0.336 510 Y C 0.356 176.245 175.900 -0.019 0.000 1.049 510 Y CA 0.023 58.113 58.100 -0.018 0.000 1.294 510 Y CB 1.002 39.486 38.460 0.040 0.000 1.179 510 Y HN 0.273 nan 8.280 nan 0.000 0.520 511 V N 5.016 124.992 119.914 0.103 0.000 2.850 511 V HA 0.580 4.700 4.120 -0.000 0.000 0.315 511 V C -0.721 175.422 176.094 0.081 0.000 1.064 511 V CA -1.013 61.325 62.300 0.063 0.000 0.979 511 V CB 1.871 33.700 31.823 0.009 0.000 1.039 511 V HN 0.493 nan 8.190 nan 0.000 0.452 512 L N 3.891 125.155 121.223 0.069 0.000 2.639 512 L HA 0.646 4.986 4.340 -0.000 0.000 0.264 512 L C -1.383 175.531 176.870 0.073 0.000 0.948 512 L CA 0.155 55.036 54.840 0.068 0.000 0.912 512 L CB 1.051 43.150 42.059 0.067 0.000 1.294 512 L HN 0.579 nan 8.230 nan 0.000 0.412 513 L N 2.608 123.883 121.223 0.085 0.000 2.293 513 L HA 0.938 5.278 4.340 -0.000 0.000 0.264 513 L C -0.135 176.810 176.870 0.124 0.000 1.029 513 L CA -0.879 54.039 54.840 0.130 0.000 0.897 513 L CB 2.075 44.241 42.059 0.178 0.000 1.497 513 L HN 0.744 nan 8.230 nan 0.000 0.495 514 S N -1.347 114.449 115.700 0.161 0.000 2.565 514 S HA 0.266 4.736 4.470 -0.000 0.000 0.274 514 S C -0.975 173.577 174.600 -0.079 0.000 1.144 514 S CA -0.660 57.574 58.200 0.057 0.000 0.849 514 S CB 2.028 65.248 63.200 0.034 0.000 1.103 514 S HN 0.829 nan 8.310 nan 0.000 0.455 515 D N -0.592 119.717 120.400 -0.151 0.000 2.449 515 D HA 0.408 5.048 4.640 -0.000 0.000 0.255 515 D C 0.828 177.034 176.300 -0.157 0.000 1.121 515 D CA 0.415 54.215 54.000 -0.333 0.000 0.830 515 D CB 0.059 40.660 40.800 -0.331 0.000 1.280 515 D HN 0.508 nan 8.370 nan 0.000 0.522 516 A N -1.103 121.672 122.820 -0.076 0.000 2.295 516 A HA 0.512 4.832 4.320 -0.000 0.000 0.193 516 A C 1.304 178.870 177.584 -0.029 0.000 1.512 516 A CA 1.029 53.043 52.037 -0.039 0.000 1.103 516 A CB 0.723 19.704 19.000 -0.031 0.000 1.331 516 A HN 0.055 nan 8.150 nan 0.000 0.501 517 Q N -2.935 116.845 119.800 -0.032 0.000 7.952 517 Q HA -0.107 4.233 4.340 -0.000 0.000 0.369 517 Q C 0.540 176.535 176.000 -0.007 0.000 0.943 517 Q CA 0.932 56.727 55.803 -0.014 0.000 0.540 517 Q CB -0.754 27.980 28.738 -0.006 0.000 0.157 517 Q HN 0.238 nan 8.270 nan 0.000 0.899 518 N N 0.940 119.637 118.700 -0.005 0.000 2.677 518 N HA -0.355 4.385 4.740 -0.000 0.000 0.230 518 N C 0.016 175.535 175.510 0.014 0.000 1.021 518 N CA 2.079 55.131 53.050 0.003 0.000 1.156 518 N CB -0.700 37.789 38.487 0.003 0.000 1.117 518 N HN 0.628 nan 8.380 nan 0.000 0.614 519 N N -3.088 115.625 118.700 0.021 0.000 2.936 519 N HA -0.167 4.573 4.740 -0.000 0.000 0.236 519 N C -2.320 173.215 175.510 0.042 0.000 0.930 519 N CA 0.514 53.583 53.050 0.031 0.000 0.966 519 N CB -0.933 37.566 38.487 0.021 0.000 1.090 519 N HN 0.299 nan 8.380 nan 0.000 0.592 520 P HA -0.081 nan 4.420 nan 0.000 0.263 520 P C -0.544 176.789 177.300 0.055 0.000 1.175 520 P CA 0.941 64.071 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 2.621 122.448 119.800 0.044 0.000 2.286 521 Q HA 0.151 4.491 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 0.292 56.122 55.803 0.045 0.000 0.906 521 Q CB 0.487 29.245 28.738 0.034 0.000 1.227 521 Q HN 0.503 nan 8.270 nan 0.000 0.409 522 L N 1.118 122.375 121.223 0.058 0.000 2.756 522 L HA 0.537 4.877 4.340 -0.000 0.000 0.220 522 L C 0.320 177.226 176.870 0.061 0.000 1.797 522 L CA -0.131 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 -1.538 113.036 114.554 0.033 0.000 2.640 523 T HA 0.244 4.594 4.350 -0.000 0.000 0.268 523 T C -1.628 173.023 174.700 -0.081 0.000 1.406 523 T CA 0.064 62.184 62.100 0.032 0.000 1.078 523 T CB 0.490 69.359 68.868 0.003 0.000 1.923 523 T HN 0.265 nan 8.240 nan 0.000 0.431 524 V N 1.489 121.292 119.914 -0.186 0.000 2.488 524 V HA 0.791 4.911 4.120 -0.000 0.000 0.277 524 V C -0.484 175.445 176.094 -0.275 0.000 1.046 524 V CA -0.418 61.684 62.300 -0.330 0.000 0.986 524 V CB 0.873 32.482 31.823 -0.357 0.000 0.989 524 V HN 0.491 nan 8.190 nan 0.000 0.475 525 V N 4.878 124.576 119.914 -0.360 0.000 2.454 525 V HA 0.342 4.462 4.120 -0.000 0.000 0.267 525 V C 0.021 175.707 176.094 -0.680 0.000 0.993 525 V CA -0.652 61.388 62.300 -0.434 0.000 0.836 525 V CB 0.708 32.344 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 0.520 53.230 53.050 -0.567 0.000 0.880 526 N CB 0.637 38.899 38.487 -0.375 0.000 1.106 526 N HN 0.815 nan 8.380 nan 0.000 0.435 527 A N 0.224 122.639 122.820 -0.675 0.000 2.499 527 A HA 0.401 4.721 4.320 -0.000 0.000 0.280 527 A C -0.628 176.722 177.584 -0.391 0.000 1.135 527 A CA -0.703 50.962 52.037 -0.619 0.000 0.744 527 A CB 0.456 19.064 19.000 -0.654 0.000 1.213 527 A HN 0.424 nan 8.150 nan 0.000 0.434 528 T N 2.709 117.153 114.554 -0.183 0.000 2.727 528 T HA 0.459 4.809 4.350 -0.000 0.000 0.298 528 T C 0.137 174.847 174.700 0.017 0.000 0.942 528 T CA 0.010 62.070 62.100 -0.066 0.000 0.997 528 T CB 0.339 69.182 68.868 -0.042 0.000 0.917 528 T HN 0.438 nan 8.240 nan 0.000 0.487 529 V N 3.650 123.602 119.914 0.063 0.000 2.630 529 V HA 0.710 4.830 4.120 -0.000 0.000 0.305 529 V C 0.344 176.490 176.094 0.087 0.000 1.046 529 V CA -0.952 61.414 62.300 0.110 0.000 0.934 529 V CB 1.312 33.254 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 0.141 174.259 174.090 0.047 0.000 1.164 530 c CA -0.908 55.453 56.329 0.053 0.000 1.347 530 c CB 0.656 43.190 42.510 0.040 0.000 1.764 530 c HN 0.767 nan 8.230 nan 0.000 0.489 531 S N 1.072 116.794 115.700 0.038 0.000 2.817 531 S HA 0.299 4.769 4.470 -0.000 0.000 0.333 531 S C 0.207 174.823 174.600 0.027 0.000 1.227 531 S CA 0.810 59.028 58.200 0.031 0.000 1.027 531 S CB -0.451 62.764 63.200 0.023 0.000 0.732 531 S HN 1.197 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 0.829 43.356 42.510 0.027 0.000 1.713 532 c HN 0.998 nan 8.230 nan 0.000 0.421 533 E N -0.223 119.986 120.200 0.015 0.000 2.694 533 E HA 0.453 4.803 4.350 -0.000 0.000 0.224 533 E C 1.009 177.616 176.600 0.012 0.000 1.068 533 E CA 1.418 57.824 56.400 0.011 0.000 1.043 533 E CB 0.148 29.853 29.700 0.008 0.000 2.367 533 E HN 0.935 nan 8.360 nan 0.000 0.565 534 G N -0.320 108.486 108.800 0.010 0.000 3.531 534 G HA2 0.196 4.156 3.960 -0.000 0.000 0.212 534 G HA3 0.196 4.156 3.960 -0.000 0.000 0.212 534 G C -0.260 174.643 174.900 0.006 0.000 1.146 534 G CA -0.291 44.814 45.100 0.009 0.000 0.916 534 G HN -0.032 nan 8.290 nan 0.000 0.637 535 K N 1.382 121.785 120.400 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 34.636 32.500 -0.002 0.000 1.090 535 K HN 0.116 nan 8.250 nan 0.000 0.450 536 A N 4.717 127.534 122.820 -0.004 0.000 2.532 536 A HA -0.048 4.272 4.320 -0.000 0.000 0.269 536 A C 0.030 177.616 177.584 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 1.652 122.230 120.570 0.014 0.000 2.822 537 I HA 0.412 4.582 4.170 -0.000 0.000 0.312 537 I C 0.533 176.660 176.117 0.016 0.000 1.011 537 I CA -1.122 60.186 61.300 0.013 0.000 1.105 537 I CB 1.316 39.324 38.000 0.015 0.000 1.291 537 I HN 0.683 nan 8.210 nan 0.000 0.474 538 K N 3.509 123.916 120.400 0.012 0.000 2.401 538 K HA 0.134 4.454 4.320 -0.000 0.000 0.278 538 K C -0.296 176.313 176.600 0.015 0.000 1.018 538 K CA -0.346 55.948 56.287 0.012 0.000 0.981 538 K CB 0.780 33.285 32.500 0.008 0.000 0.933 538 K HN 0.706 nan 8.250 nan 0.000 0.477 539 c N 1.913 120.522 118.600 0.015 0.000 2.369 539 c HA 0.313 4.883 4.570 -0.000 0.000 0.089 539 c C 0.112 174.210 174.090 0.014 0.000 2.614 539 c CA -0.297 56.042 56.329 0.017 0.000 1.724 539 c CB 0.705 43.227 42.510 0.020 0.000 2.453 539 c HN 0.960 nan 8.230 nan 0.000 0.263 540 Q N 0.000 119.808 119.800 0.013 0.000 2.315 540 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 540 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 540 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 540 Q HN 0.000 nan 8.270 nan 0.000 0.481