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 3i27_1_C DATA FIRST_RESID 16 DATA SEQUENCE TPVTPYYGPG HITFDWCGFG DSRSDcTNPQ SPMSLDIPQQ LcPKFSSKSS DATA SEQUENCE SSMFLSLHWN NHSSFVSYDY FNcGVEKVFY EGVNFSPRKQ YScWDEGVDG DATA SEQUENCE WIELKTRFYT KLYQMATTSR cIKLIQLQAP SSLPTLQAGV cRTNKQLPDN DATA SEQUENCE PRLALLSDTV PTSVQFVLPG SSGTTIcTKH LVPFcYLNHG cFTTGGScLP DATA SEQUENCE FGVSYVSDSF YYGYYDATPX XXXXESHDYV cDYLFMEPGT YNASTVGKFL DATA SEQUENCE VYPTKSYcMD TMNITVPVQA VQSIWSEQYA SDDAIGQAcK APYcIFYNKT DATA SEQUENCE TPYTVTNGSD ANHGDDEVRM MMQGLLRNSS cISPQGSTPL ALYSTEMIYE DATA SEQUENCE PNYGScPQFY KLF 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 16 T HA 0.000 nan 4.350 nan 0.000 0.228 16 T C 0.000 174.743 174.700 0.072 0.000 1.109 16 T CA 0.000 62.132 62.100 0.053 0.000 1.349 16 T CB 0.000 68.882 68.868 0.023 0.000 0.612 17 P HA 0.347 nan 4.420 nan 0.000 0.265 17 P C -0.004 177.331 177.300 0.057 0.000 1.187 17 P CA -0.392 62.768 63.100 0.100 0.000 0.766 17 P CB 0.552 32.234 31.700 -0.029 0.000 0.820 18 V N -0.256 119.711 119.914 0.088 0.000 2.994 18 V HA 0.739 4.858 4.120 -0.000 0.000 0.318 18 V C -0.351 175.789 176.094 0.076 0.000 1.085 18 V CA -0.490 61.846 62.300 0.060 0.000 0.998 18 V CB 2.009 33.858 31.823 0.043 0.000 1.063 18 V HN 0.461 nan 8.190 nan 0.000 0.447 19 T N 3.494 118.085 114.554 0.062 0.000 2.786 19 T HA 0.551 4.901 4.350 -0.000 0.000 0.283 19 T C -2.674 172.071 174.700 0.075 0.000 0.992 19 T CA -0.865 61.277 62.100 0.069 0.000 0.954 19 T CB 1.235 70.136 68.868 0.055 0.000 0.934 19 T HN 0.768 nan 8.240 nan 0.000 0.440 20 P HA 0.015 nan 4.420 nan 0.000 0.264 20 P C -1.117 176.244 177.300 0.102 0.000 1.183 20 P CA -0.189 62.960 63.100 0.082 0.000 0.763 20 P CB 0.202 31.950 31.700 0.081 0.000 0.807 21 Y N 3.792 124.083 120.300 -0.014 0.000 2.425 21 Y HA 0.241 4.791 4.550 -0.000 0.000 0.347 21 Y C -0.230 175.648 175.900 -0.038 0.000 0.976 21 Y CA -0.844 57.240 58.100 -0.027 0.000 1.190 21 Y CB 0.024 38.439 38.460 -0.075 0.000 1.136 21 Y HN 0.339 nan 8.280 nan 0.000 0.517 22 Y N 6.443 126.424 120.300 -0.532 0.000 2.605 22 Y HA 0.408 4.958 4.550 -0.000 0.000 0.336 22 Y C 0.535 176.165 175.900 -0.450 0.000 1.111 22 Y CA 1.190 59.058 58.100 -0.386 0.000 1.422 22 Y CB -0.253 38.015 38.460 -0.320 0.000 1.193 22 Y HN 0.895 nan 8.280 nan 0.000 0.526 23 G N 5.913 114.044 108.800 -1.115 0.000 2.361 23 G HA2 0.000 3.960 3.960 -0.000 0.000 0.331 23 G HA3 0.000 3.960 3.960 -0.000 0.000 0.331 23 G C -3.299 170.821 174.900 -1.300 0.000 1.324 23 G CA -1.036 43.264 45.100 -1.333 0.000 0.984 23 G HN 0.472 nan 8.290 nan 0.000 0.586 24 P HA 0.552 nan 4.420 nan 0.000 0.275 24 P C 0.499 177.585 177.300 -0.357 0.000 1.270 24 P CA 0.808 63.534 63.100 -0.623 0.000 0.791 24 P CB 1.382 32.910 31.700 -0.286 0.000 1.089 25 G N -0.984 107.667 108.800 -0.249 0.000 2.495 25 G HA2 0.606 4.566 3.960 -0.000 0.000 0.294 25 G HA3 0.606 4.566 3.960 -0.000 0.000 0.294 25 G C -2.001 172.731 174.900 -0.280 0.000 1.397 25 G CA -0.698 44.215 45.100 -0.312 0.000 0.790 25 G HN 0.932 nan 8.290 nan 0.000 0.486 26 H N -2.419 116.415 119.070 -0.392 0.000 3.016 26 H HA 0.686 5.242 4.556 -0.000 0.000 0.362 26 H C -0.133 175.105 175.328 -0.149 0.000 1.233 26 H CA -1.042 54.826 56.048 -0.301 0.000 1.124 26 H CB 1.528 30.894 29.762 -0.660 0.000 1.850 26 H HN 0.335 nan 8.280 nan 0.000 0.549 27 I N 0.194 120.798 120.570 0.056 0.000 3.339 27 I HA 0.078 4.248 4.170 -0.000 0.000 0.285 27 I C 0.521 176.726 176.117 0.146 0.000 1.201 27 I CA 0.865 62.192 61.300 0.044 0.000 1.434 27 I CB 0.546 38.607 38.000 0.101 0.000 1.152 27 I HN 0.844 nan 8.210 nan 0.000 0.443 28 T N -2.403 112.291 114.554 0.233 0.000 2.858 28 T HA 0.279 4.629 4.350 -0.000 0.000 0.285 28 T C 0.683 175.570 174.700 0.312 0.000 1.052 28 T CA -0.662 61.573 62.100 0.225 0.000 1.009 28 T CB 1.180 70.076 68.868 0.047 0.000 1.241 28 T HN 0.160 nan 8.240 nan 0.000 0.542 29 F N -0.124 119.963 119.950 0.228 0.000 2.333 29 F HA 0.206 4.733 4.527 -0.000 0.000 0.300 29 F C 0.941 176.806 175.800 0.109 0.000 1.083 29 F CA 0.499 58.601 58.000 0.170 0.000 1.395 29 F CB -0.583 38.461 39.000 0.074 0.000 1.056 29 F HN 0.435 nan 8.300 nan 0.000 0.529 30 D N 2.729 122.565 120.400 -0.939 0.000 2.713 30 D HA 0.033 4.673 4.640 -0.000 0.000 0.229 30 D C -0.587 175.589 176.300 -0.206 0.000 1.136 30 D CA -0.208 53.327 54.000 -0.775 0.000 1.010 30 D CB -0.520 39.713 40.800 -0.946 0.000 1.084 30 D HN 0.528 nan 8.370 nan 0.000 0.495 31 W N 1.752 122.877 121.300 -0.292 0.000 2.902 31 W HA 0.611 5.271 4.660 -0.000 0.000 0.346 31 W C -1.132 175.220 176.519 -0.279 0.000 1.139 31 W CA -1.295 55.913 57.345 -0.228 0.000 1.139 31 W CB 0.282 29.634 29.460 -0.179 0.000 1.439 31 W HN 0.182 nan 8.180 nan 0.000 0.558 32 C N 0.287 119.421 119.300 -0.277 0.000 3.239 32 C HA 0.957 5.417 4.460 -0.000 0.000 0.317 32 C C -0.002 174.599 174.990 -0.649 0.000 1.310 32 C CA -0.157 58.433 59.018 -0.713 0.000 1.371 32 C CB 1.452 28.800 27.740 -0.653 0.000 1.714 32 C HN 1.160 nan 8.230 nan 0.000 0.473 33 G N 0.389 108.496 108.800 -1.155 0.000 2.453 33 G HA2 0.799 4.759 3.960 -0.000 0.000 0.323 33 G HA3 0.799 4.759 3.960 -0.000 0.000 0.323 33 G C -1.727 172.515 174.900 -1.097 0.000 1.198 33 G CA -0.505 43.719 45.100 -1.461 0.000 0.959 33 G HN 0.660 nan 8.290 nan 0.000 0.482 34 F N 0.368 120.146 119.950 -0.287 0.000 2.518 34 F HA 0.723 5.250 4.527 -0.000 0.000 0.323 34 F C 0.704 176.789 175.800 0.476 0.000 1.129 34 F CA -0.161 57.926 58.000 0.145 0.000 0.920 34 F CB 2.670 41.669 39.000 -0.001 0.000 1.160 34 F HN 0.813 nan 8.300 nan 0.000 0.440 35 G N 1.641 110.901 108.800 0.767 0.000 2.846 35 G HA2 0.592 4.551 3.960 -0.000 0.000 0.299 35 G HA3 0.592 4.551 3.960 -0.000 0.000 0.299 35 G C -1.746 173.429 174.900 0.458 0.000 1.242 35 G CA -0.565 44.886 45.100 0.584 0.000 0.800 35 G HN 0.486 nan 8.290 nan 0.000 0.538 36 D N -2.338 118.198 120.400 0.227 0.000 3.035 36 D HA 0.359 4.999 4.640 -0.000 0.000 0.248 36 D C 1.878 178.216 176.300 0.064 0.000 1.260 36 D CA 0.756 54.836 54.000 0.133 0.000 1.058 36 D CB -0.148 40.697 40.800 0.075 0.000 1.262 36 D HN 0.535 nan 8.370 nan 0.000 0.633 37 S N -0.517 115.225 115.700 0.069 0.000 2.383 37 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 37 S C 1.646 176.322 174.600 0.126 0.000 1.030 37 S CA 0.921 59.178 58.200 0.095 0.000 1.002 37 S CB -0.682 62.633 63.200 0.192 0.000 0.829 37 S HN 0.427 nan 8.310 nan 0.000 0.467 38 R N 1.781 122.374 120.500 0.155 0.000 2.357 38 R HA 0.098 4.438 4.340 -0.000 0.000 0.202 38 R C 1.101 177.469 176.300 0.112 0.000 1.047 38 R CA 0.998 57.217 56.100 0.198 0.000 1.034 38 R CB -0.245 30.194 30.300 0.232 0.000 0.875 38 R HN 0.688 nan 8.270 nan 0.000 0.473 39 S N -1.280 114.432 115.700 0.019 0.000 3.021 39 S HA 0.103 4.573 4.470 -0.000 0.000 0.252 39 S C -0.639 173.903 174.600 -0.098 0.000 0.996 39 S CA -0.808 57.291 58.200 -0.167 0.000 1.084 39 S CB 0.512 63.421 63.200 -0.485 0.000 1.021 39 S HN -0.024 nan 8.310 nan 0.000 0.566 40 D N 0.816 121.201 120.400 -0.026 0.000 2.441 40 D HA 0.404 5.043 4.640 -0.000 0.000 0.231 40 D C 0.458 176.744 176.300 -0.024 0.000 1.073 40 D CA -0.578 53.408 54.000 -0.023 0.000 0.850 40 D CB 1.017 41.796 40.800 -0.035 0.000 1.062 40 D HN 0.162 nan 8.370 nan 0.000 0.524 41 c N 2.007 120.595 118.600 -0.019 0.000 2.500 41 c HA -0.028 4.542 4.570 -0.000 0.000 0.273 41 c C 2.256 176.338 174.090 -0.014 0.000 1.428 41 c CA 1.116 57.437 56.329 -0.014 0.000 1.766 41 c CB -1.163 41.344 42.510 -0.006 0.000 1.817 41 c HN 0.784 nan 8.230 nan 0.000 0.543 42 T N -1.840 112.704 114.554 -0.018 0.000 3.148 42 T HA -0.031 4.319 4.350 -0.000 0.000 0.253 42 T C 0.536 175.218 174.700 -0.029 0.000 1.134 42 T CA 0.135 62.224 62.100 -0.018 0.000 1.051 42 T CB -0.528 68.330 68.868 -0.016 0.000 0.959 42 T HN 0.488 nan 8.240 nan 0.000 0.525 43 N N 2.660 121.337 118.700 -0.037 0.000 2.483 43 N HA 0.087 4.827 4.740 -0.000 0.000 0.264 43 N C -1.718 173.766 175.510 -0.044 0.000 1.197 43 N CA -1.366 51.654 53.050 -0.050 0.000 0.927 43 N CB 1.611 40.057 38.487 -0.068 0.000 1.065 43 N HN 0.015 nan 8.380 nan 0.000 0.461 44 P HA -0.143 nan 4.420 nan 0.000 0.217 44 P C 0.524 177.801 177.300 -0.038 0.000 1.148 44 P CA 1.387 64.465 63.100 -0.037 0.000 0.834 44 P CB 0.307 31.985 31.700 -0.038 0.000 0.783 45 Q N -1.046 118.720 119.800 -0.057 0.000 2.320 45 Q HA 0.120 4.460 4.340 -0.000 0.000 0.201 45 Q C 0.725 176.703 176.000 -0.037 0.000 0.910 45 Q CA 0.129 55.901 55.803 -0.051 0.000 0.946 45 Q CB -0.315 28.375 28.738 -0.080 0.000 1.062 45 Q HN 0.168 nan 8.270 nan 0.000 0.503 46 S N 3.095 118.776 115.700 -0.032 0.000 2.562 46 S HA 0.167 4.637 4.470 -0.000 0.000 0.281 46 S C -1.456 173.139 174.600 -0.007 0.000 1.333 46 S CA -0.948 57.242 58.200 -0.016 0.000 1.052 46 S CB 0.772 63.962 63.200 -0.016 0.000 0.884 46 S HN 0.060 nan 8.310 nan 0.000 0.506 47 P HA 0.154 nan 4.420 nan 0.000 0.262 47 P C 1.160 178.471 177.300 0.020 0.000 1.304 47 P CA 0.093 63.197 63.100 0.008 0.000 0.859 47 P CB 0.122 31.826 31.700 0.008 0.000 1.310 48 M N 0.413 120.024 119.600 0.018 0.000 2.279 48 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 48 M C 1.652 177.990 176.300 0.063 0.000 1.062 48 M CA 1.730 57.051 55.300 0.035 0.000 1.099 48 M CB -0.995 31.620 32.600 0.026 0.000 1.394 48 M HN 0.075 nan 8.290 nan 0.000 0.426 49 S N -0.448 115.278 115.700 0.043 0.000 2.593 49 S HA 0.260 4.730 4.470 -0.000 0.000 0.217 49 S C 0.663 175.356 174.600 0.154 0.000 0.966 49 S CA -0.290 57.956 58.200 0.076 0.000 0.914 49 S CB -0.404 62.730 63.200 -0.109 0.000 0.776 49 S HN 0.313 nan 8.310 nan 0.000 0.523 50 L N 1.762 123.046 121.223 0.101 0.000 2.334 50 L HA 0.418 4.758 4.340 -0.000 0.000 0.277 50 L C 0.389 177.324 176.870 0.108 0.000 1.075 50 L CA -0.532 54.362 54.840 0.090 0.000 0.804 50 L CB 0.945 43.020 42.059 0.027 0.000 1.174 50 L HN 0.025 nan 8.230 nan 0.000 0.438 51 D N 1.641 122.120 120.400 0.131 0.000 2.360 51 D HA 0.181 4.821 4.640 -0.000 0.000 0.210 51 D C 0.285 176.582 176.300 -0.006 0.000 1.047 51 D CA 0.347 54.406 54.000 0.099 0.000 0.854 51 D CB 0.373 41.322 40.800 0.248 0.000 0.936 51 D HN 0.408 nan 8.370 nan 0.000 0.514 52 I N -2.566 117.985 120.570 -0.032 0.000 2.707 52 I HA 0.566 4.736 4.170 -0.000 0.000 0.309 52 I C -2.567 173.529 176.117 -0.035 0.000 1.001 52 I CA -2.689 58.566 61.300 -0.075 0.000 1.129 52 I CB 1.396 39.275 38.000 -0.201 0.000 1.308 52 I HN -0.399 nan 8.210 nan 0.000 0.466 53 P HA 0.031 nan 4.420 nan 0.000 0.268 53 P C 0.028 177.335 177.300 0.012 0.000 1.205 53 P CA -0.078 63.029 63.100 0.010 0.000 0.771 53 P CB 0.714 32.432 31.700 0.030 0.000 0.858 54 Q N 2.732 122.538 119.800 0.010 0.000 2.124 54 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 54 Q C 1.681 177.695 176.000 0.023 0.000 0.977 54 Q CA 1.342 57.150 55.803 0.008 0.000 0.850 54 Q CB -0.063 28.680 28.738 0.008 0.000 0.901 54 Q HN 0.461 nan 8.270 nan 0.000 0.429 55 Q N -0.051 119.771 119.800 0.037 0.000 2.437 55 Q HA -0.120 4.220 4.340 -0.000 0.000 0.210 55 Q C 1.473 177.520 176.000 0.079 0.000 0.972 55 Q CA 0.897 56.730 55.803 0.049 0.000 0.903 55 Q CB -0.112 28.655 28.738 0.049 0.000 0.967 55 Q HN 0.489 nan 8.270 nan 0.000 0.486 56 L N -0.125 121.165 121.223 0.112 0.000 2.592 56 L HA 0.065 4.405 4.340 -0.000 0.000 0.227 56 L C 2.114 179.101 176.870 0.195 0.000 1.127 56 L CA -0.375 54.588 54.840 0.205 0.000 0.884 56 L CB -0.198 42.063 42.059 0.337 0.000 1.065 56 L HN 0.238 nan 8.230 nan 0.000 0.457 57 c N 1.425 120.073 118.600 0.081 0.000 2.401 57 c HA -0.108 4.462 4.570 -0.000 0.000 0.276 57 c C 0.225 174.377 174.090 0.104 0.000 1.233 57 c CA 1.012 57.376 56.329 0.058 0.000 1.753 57 c CB -1.170 41.347 42.510 0.012 0.000 2.029 57 c HN 0.389 nan 8.230 nan 0.000 0.478 58 P HA -0.066 nan 4.420 nan 0.000 0.226 58 P C 1.319 178.564 177.300 -0.092 0.000 1.153 58 P CA 1.174 64.268 63.100 -0.010 0.000 0.777 58 P CB -0.230 31.454 31.700 -0.027 0.000 0.794 59 K N -1.275 119.052 120.400 -0.122 0.000 2.365 59 K HA 0.039 4.359 4.320 -0.000 0.000 0.199 59 K C 0.361 176.677 176.600 -0.474 0.000 1.045 59 K CA 0.555 56.565 56.287 -0.462 0.000 0.962 59 K CB -0.276 31.701 32.500 -0.872 0.000 0.759 59 K HN 0.248 nan 8.250 nan 0.000 0.469 60 F N 0.282 120.076 119.950 -0.260 0.000 2.421 60 F HA 0.143 4.670 4.527 -0.000 0.000 0.337 60 F C 0.724 176.448 175.800 -0.127 0.000 1.105 60 F CA -0.817 57.075 58.000 -0.181 0.000 1.049 60 F CB 1.652 40.636 39.000 -0.026 0.000 1.139 60 F HN -0.325 nan 8.300 nan 0.000 0.479 61 S N 2.786 118.486 115.700 0.001 0.000 2.434 61 S HA 0.660 5.130 4.470 -0.000 0.000 0.318 61 S C -0.781 174.083 174.600 0.441 0.000 1.062 61 S CA -0.194 58.127 58.200 0.202 0.000 1.116 61 S CB -0.193 63.098 63.200 0.151 0.000 0.977 61 S HN 0.570 nan 8.310 nan 0.000 0.480 62 S N 3.229 119.097 115.700 0.281 0.000 2.569 62 S HA 0.764 5.234 4.470 -0.000 0.000 0.280 62 S C -1.283 173.124 174.600 -0.322 0.000 1.111 62 S CA -0.926 57.363 58.200 0.149 0.000 0.887 62 S CB 1.903 65.230 63.200 0.211 0.000 1.095 62 S HN 0.694 nan 8.310 nan 0.000 0.476 63 K N 1.034 121.197 120.400 -0.395 0.000 2.550 63 K HA 0.469 4.789 4.320 -0.000 0.000 0.252 63 K C -1.040 175.442 176.600 -0.197 0.000 0.943 63 K CA -0.234 55.719 56.287 -0.556 0.000 0.806 63 K CB 1.418 33.156 32.500 -1.270 0.000 1.289 63 K HN 0.540 nan 8.250 nan 0.000 0.435 64 S N 2.278 117.905 115.700 -0.122 0.000 2.552 64 S HA 0.109 4.578 4.470 -0.000 0.000 0.289 64 S C 0.107 174.713 174.600 0.009 0.000 1.304 64 S CA 0.773 58.960 58.200 -0.022 0.000 1.063 64 S CB 0.218 63.403 63.200 -0.026 0.000 0.848 64 S HN 0.789 nan 8.310 nan 0.000 0.499 65 S N 0.221 115.960 115.700 0.066 0.000 2.981 65 S HA -0.177 4.293 4.470 -0.000 0.000 0.274 65 S C 0.355 175.018 174.600 0.105 0.000 1.297 65 S CA 1.271 59.521 58.200 0.083 0.000 1.266 65 S CB -1.343 61.885 63.200 0.047 0.000 1.542 65 S HN 0.781 nan 8.310 nan 0.000 0.674 66 S N 0.457 116.236 115.700 0.132 0.000 2.722 66 S HA 0.830 5.300 4.470 -0.000 0.000 0.292 66 S C -0.179 174.640 174.600 0.365 0.000 1.135 66 S CA 0.339 58.685 58.200 0.244 0.000 1.003 66 S CB 1.817 65.151 63.200 0.224 0.000 1.067 66 S HN 0.999 nan 8.310 nan 0.000 0.546 67 S N 1.997 117.993 115.700 0.493 0.000 2.607 67 S HA 0.409 4.879 4.470 -0.000 0.000 0.273 67 S C 0.756 175.669 174.600 0.521 0.000 1.148 67 S CA -0.798 57.719 58.200 0.529 0.000 0.833 67 S CB 0.840 64.318 63.200 0.462 0.000 1.130 67 S HN 0.672 nan 8.310 nan 0.000 0.470 68 M N 0.548 120.283 119.600 0.225 0.000 2.159 68 M HA 0.048 4.528 4.480 -0.000 0.000 0.263 68 M C 1.641 177.998 176.300 0.096 0.000 1.063 68 M CA 1.662 56.995 55.300 0.055 0.000 1.110 68 M CB -0.535 32.020 32.600 -0.075 0.000 1.374 68 M HN 0.778 nan 8.290 nan 0.000 0.411 69 F N 1.311 121.164 119.950 -0.161 0.000 2.060 69 F HA -0.172 4.354 4.527 -0.000 0.000 0.295 69 F C 2.084 177.781 175.800 -0.173 0.000 1.120 69 F CA 1.446 59.029 58.000 -0.696 0.000 1.205 69 F CB -0.653 38.146 39.000 -0.335 0.000 0.986 69 F HN -0.037 nan 8.300 nan 0.000 0.470 70 L N -0.475 120.813 121.223 0.109 0.000 2.013 70 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 70 L C 2.371 179.412 176.870 0.285 0.000 1.073 70 L CA 2.182 57.194 54.840 0.287 0.000 0.753 70 L CB -0.674 41.642 42.059 0.427 0.000 0.890 70 L HN 0.160 nan 8.230 nan 0.000 0.432 71 S N -0.277 115.578 115.700 0.259 0.000 2.402 71 S HA -0.150 4.320 4.470 -0.000 0.000 0.229 71 S C 1.661 176.281 174.600 0.034 0.000 1.021 71 S CA 1.241 59.594 58.200 0.256 0.000 0.974 71 S CB -0.293 63.183 63.200 0.459 0.000 0.800 71 S HN 0.405 nan 8.310 nan 0.000 0.484 72 L N 1.610 122.742 121.223 -0.151 0.000 2.017 72 L HA -0.095 4.244 4.340 -0.000 0.000 0.208 72 L C 2.112 178.721 176.870 -0.434 0.000 1.073 72 L CA 1.967 56.585 54.840 -0.370 0.000 0.745 72 L CB -0.621 41.116 42.059 -0.537 0.000 0.894 72 L HN 0.308 nan 8.230 nan 0.000 0.432 73 H N -2.121 116.681 119.070 -0.447 0.000 2.436 73 H HA 0.023 4.579 4.556 -0.000 0.000 0.294 73 H C -0.179 174.708 175.328 -0.735 0.000 1.048 73 H CA 0.749 56.371 56.048 -0.710 0.000 1.353 73 H CB 0.115 29.140 29.762 -1.227 0.000 1.414 73 H HN 0.290 nan 8.280 nan 0.000 0.536 74 W N 1.608 122.844 121.300 -0.107 0.000 2.785 74 W HA 0.231 4.891 4.660 -0.000 0.000 0.333 74 W C -0.010 176.487 176.519 -0.037 0.000 1.062 74 W CA -0.845 56.433 57.345 -0.112 0.000 1.233 74 W CB 1.120 30.442 29.460 -0.230 0.000 1.413 74 W HN -0.053 nan 8.180 nan 0.000 0.489 75 N N 1.416 120.218 118.700 0.170 0.000 2.374 75 N HA 0.119 4.859 4.740 -0.000 0.000 0.284 75 N C 0.011 175.506 175.510 -0.026 0.000 1.280 75 N CA -0.255 52.820 53.050 0.041 0.000 0.963 75 N CB 0.180 38.637 38.487 -0.049 0.000 1.141 75 N HN 0.249 nan 8.380 nan 0.000 0.565 76 N N 1.224 119.850 118.700 -0.124 0.000 2.468 76 N HA 0.062 4.802 4.740 -0.000 0.000 0.265 76 N C -0.348 174.918 175.510 -0.406 0.000 1.199 76 N CA 0.583 53.565 53.050 -0.114 0.000 0.928 76 N CB 0.238 38.693 38.487 -0.053 0.000 1.059 76 N HN 0.391 nan 8.380 nan 0.000 0.467 77 H N -0.974 118.182 119.070 0.144 0.000 2.931 77 H HA 0.152 4.707 4.556 -0.000 0.000 0.331 77 H C 0.860 176.271 175.328 0.139 0.000 1.273 77 H CA -0.534 55.592 56.048 0.130 0.000 1.171 77 H CB 0.957 30.789 29.762 0.117 0.000 1.898 77 H HN 0.502 nan 8.280 nan 0.000 0.562 78 S N -0.273 115.569 115.700 0.237 0.000 2.500 78 S HA -0.090 4.380 4.470 -0.000 0.000 0.239 78 S C 0.779 175.408 174.600 0.049 0.000 0.989 78 S CA 1.338 59.603 58.200 0.109 0.000 0.951 78 S CB -0.197 63.045 63.200 0.071 0.000 0.759 78 S HN 0.468 nan 8.310 nan 0.000 0.523 79 S N -0.236 115.494 115.700 0.051 0.000 2.819 79 S HA 0.456 4.926 4.470 -0.000 0.000 0.249 79 S C -0.691 173.641 174.600 -0.447 0.000 1.030 79 S CA -0.704 57.374 58.200 -0.204 0.000 1.052 79 S CB -0.056 62.943 63.200 -0.335 0.000 1.017 79 S HN 0.422 nan 8.310 nan 0.000 0.576 80 F N 1.762 121.670 119.950 -0.069 0.000 2.513 80 F HA 0.439 4.965 4.527 -0.000 0.000 0.358 80 F C -0.311 175.497 175.800 0.013 0.000 1.118 80 F CA -0.916 57.043 58.000 -0.069 0.000 1.037 80 F CB 1.496 40.439 39.000 -0.095 0.000 1.276 80 F HN -0.166 nan 8.300 nan 0.000 0.446 81 V N 2.946 122.943 119.914 0.139 0.000 2.339 81 V HA 0.242 4.362 4.120 -0.000 0.000 0.261 81 V C 0.250 176.462 176.094 0.198 0.000 1.058 81 V CA -0.171 62.208 62.300 0.131 0.000 0.897 81 V CB 0.872 32.740 31.823 0.074 0.000 1.052 81 V HN 0.733 nan 8.190 nan 0.000 0.480 82 S N 4.927 120.752 115.700 0.207 0.000 2.578 82 S HA 0.700 5.170 4.470 -0.000 0.000 0.283 82 S C -1.090 173.662 174.600 0.254 0.000 1.195 82 S CA -0.372 57.975 58.200 0.245 0.000 1.050 82 S CB 0.931 64.249 63.200 0.198 0.000 1.012 82 S HN 0.640 nan 8.310 nan 0.000 0.511 83 Y N 1.603 121.956 120.300 0.089 0.000 2.504 83 Y HA 0.329 4.879 4.550 -0.000 0.000 0.344 83 Y C -0.947 174.968 175.900 0.025 0.000 1.023 83 Y CA -0.931 57.154 58.100 -0.025 0.000 1.020 83 Y CB 1.457 39.772 38.460 -0.242 0.000 1.282 83 Y HN 0.546 nan 8.280 nan 0.000 0.454 84 D N 5.521 125.585 120.400 -0.560 0.000 2.608 84 D HA 0.059 4.699 4.640 -0.000 0.000 0.224 84 D C -0.745 175.234 176.300 -0.535 0.000 1.123 84 D CA 0.471 54.228 54.000 -0.404 0.000 1.030 84 D CB -0.605 40.028 40.800 -0.279 0.000 1.093 84 D HN 0.381 nan 8.370 nan 0.000 0.497 85 Y N 0.848 121.028 120.300 -0.199 0.000 2.903 85 Y HA 0.027 4.577 4.550 -0.000 0.000 0.338 85 Y C 0.330 176.456 175.900 0.376 0.000 1.265 85 Y CA 0.469 58.698 58.100 0.215 0.000 1.532 85 Y CB 0.220 39.017 38.460 0.562 0.000 1.293 85 Y HN 0.165 nan 8.280 nan 0.000 0.609 86 F N 4.324 124.516 119.950 0.403 0.000 2.767 86 F HA 0.415 4.942 4.527 -0.000 0.000 0.341 86 F C -1.857 174.069 175.800 0.210 0.000 1.192 86 F CA -1.100 57.077 58.000 0.295 0.000 1.127 86 F CB 0.693 39.758 39.000 0.108 0.000 1.388 86 F HN 0.531 nan 8.300 nan 0.000 0.574 87 N N 3.693 122.299 118.700 -0.156 0.000 2.710 87 N HA 0.679 5.419 4.740 -0.000 0.000 0.257 87 N C -1.936 173.402 175.510 -0.288 0.000 1.327 87 N CA -0.160 52.549 53.050 -0.568 0.000 0.861 87 N CB 2.492 40.470 38.487 -0.848 0.000 1.532 87 N HN 0.655 nan 8.380 nan 0.000 0.499 88 c N 0.414 118.802 118.600 -0.354 0.000 2.441 88 c HA 1.000 5.570 4.570 -0.000 0.000 0.318 88 c C 0.345 174.325 174.090 -0.183 0.000 1.222 88 c CA -0.741 55.495 56.329 -0.155 0.000 1.474 88 c CB 0.544 42.990 42.510 -0.106 0.000 2.125 88 c HN 0.731 nan 8.230 nan 0.000 0.479 89 G N 1.698 110.438 108.800 -0.100 0.000 2.716 89 G HA2 0.458 4.418 3.960 -0.000 0.000 0.299 89 G HA3 0.458 4.418 3.960 -0.000 0.000 0.299 89 G C -0.008 174.868 174.900 -0.040 0.000 1.450 89 G CA -0.325 44.706 45.100 -0.114 0.000 0.968 89 G HN 0.478 nan 8.290 nan 0.000 0.566 90 V N 0.690 120.565 119.914 -0.064 0.000 2.295 90 V HA -0.055 4.065 4.120 -0.000 0.000 0.246 90 V C 1.329 177.413 176.094 -0.016 0.000 1.049 90 V CA 1.801 64.074 62.300 -0.045 0.000 1.024 90 V CB -0.525 31.251 31.823 -0.078 0.000 0.648 90 V HN 0.680 nan 8.190 nan 0.000 0.447 91 E N 0.012 120.236 120.200 0.040 0.000 2.231 91 E HA 0.546 4.896 4.350 -0.000 0.000 0.277 91 E C -0.722 175.976 176.600 0.164 0.000 0.999 91 E CA -0.436 56.039 56.400 0.125 0.000 0.827 91 E CB 1.317 31.159 29.700 0.237 0.000 1.101 91 E HN 0.364 nan 8.360 nan 0.000 0.393 92 K N 1.322 121.828 120.400 0.177 0.000 2.482 92 K HA 0.423 4.743 4.320 -0.000 0.000 0.251 92 K C -1.420 175.259 176.600 0.133 0.000 0.936 92 K CA -0.657 55.698 56.287 0.114 0.000 0.791 92 K CB 2.368 34.965 32.500 0.161 0.000 1.213 92 K HN 0.169 nan 8.250 nan 0.000 0.428 93 V N 3.875 123.802 119.914 0.022 0.000 2.409 93 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 93 V C -0.996 175.131 176.094 0.055 0.000 1.020 93 V CA -0.752 61.625 62.300 0.128 0.000 0.848 93 V CB 0.589 32.520 31.823 0.180 0.000 0.990 93 V HN 0.570 nan 8.190 nan 0.000 0.430 94 F N 4.683 124.840 119.950 0.345 0.000 2.411 94 F HA 0.499 5.026 4.527 -0.000 0.000 0.352 94 F C -0.295 175.796 175.800 0.484 0.000 1.123 94 F CA -0.472 57.782 58.000 0.425 0.000 1.044 94 F CB 1.436 40.655 39.000 0.364 0.000 1.135 94 F HN 0.518 nan 8.300 nan 0.000 0.461 95 Y N 3.977 124.585 120.300 0.513 0.000 2.490 95 Y HA 0.411 4.960 4.550 -0.000 0.000 0.346 95 Y C -1.130 174.974 175.900 0.342 0.000 1.023 95 Y CA -1.130 57.200 58.100 0.383 0.000 1.142 95 Y CB -0.115 38.555 38.460 0.350 0.000 1.126 95 Y HN 0.695 nan 8.280 nan 0.000 0.647 96 E N -0.649 119.677 120.200 0.210 0.000 2.454 96 E HA 0.844 5.194 4.350 -0.000 0.000 0.279 96 E C 0.261 176.895 176.600 0.057 0.000 1.029 96 E CA -0.688 55.758 56.400 0.076 0.000 0.831 96 E CB 1.190 31.052 29.700 0.271 0.000 1.405 96 E HN 0.320 nan 8.360 nan 0.000 0.463 97 G N -0.777 108.058 108.800 0.058 0.000 2.813 97 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.194 97 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.194 97 G C 0.790 175.703 174.900 0.022 0.000 1.010 97 G CA 0.025 45.169 45.100 0.073 0.000 0.771 97 G HN 0.801 nan 8.290 nan 0.000 0.485 98 V N 1.700 121.493 119.914 -0.203 0.000 2.626 98 V HA -0.023 4.097 4.120 -0.000 0.000 0.252 98 V C 2.139 178.063 176.094 -0.284 0.000 1.067 98 V CA 2.472 64.483 62.300 -0.482 0.000 1.081 98 V CB -0.356 30.809 31.823 -1.096 0.000 0.686 98 V HN 0.445 nan 8.190 nan 0.000 0.468 99 N N -0.535 118.126 118.700 -0.066 0.000 2.550 99 N HA -0.042 4.698 4.740 -0.000 0.000 0.186 99 N C 0.020 175.670 175.510 0.232 0.000 1.110 99 N CA 0.651 53.787 53.050 0.143 0.000 0.912 99 N CB 0.012 38.586 38.487 0.145 0.000 0.968 99 N HN 0.580 nan 8.380 nan 0.000 0.448 100 F N 1.076 121.134 119.950 0.179 0.000 2.443 100 F HA 0.300 4.826 4.527 -0.000 0.000 0.369 100 F C -0.385 175.547 175.800 0.221 0.000 1.090 100 F CA -0.418 57.720 58.000 0.230 0.000 1.129 100 F CB 0.643 39.904 39.000 0.435 0.000 1.367 100 F HN -0.288 nan 8.300 nan 0.000 0.465 101 S N 4.629 120.403 115.700 0.125 0.000 2.720 101 S HA 0.413 4.883 4.470 -0.000 0.000 0.287 101 S C -2.172 172.480 174.600 0.087 0.000 1.168 101 S CA -1.264 57.054 58.200 0.196 0.000 0.832 101 S CB 1.872 65.211 63.200 0.232 0.000 1.166 101 S HN 0.212 nan 8.310 nan 0.000 0.493 102 P HA -0.132 nan 4.420 nan 0.000 0.217 102 P C 1.518 178.844 177.300 0.043 0.000 1.148 102 P CA 1.095 64.253 63.100 0.096 0.000 0.834 102 P CB 0.052 31.827 31.700 0.125 0.000 0.783 103 R N 0.400 120.953 120.500 0.089 0.000 2.140 103 R HA -0.242 4.098 4.340 -0.000 0.000 0.250 103 R C 2.140 178.379 176.300 -0.102 0.000 1.150 103 R CA 2.025 58.118 56.100 -0.012 0.000 0.966 103 R CB -0.405 29.824 30.300 -0.119 0.000 0.869 103 R HN 0.103 nan 8.270 nan 0.000 0.445 104 K N -0.125 120.188 120.400 -0.145 0.000 2.211 104 K HA -0.127 4.193 4.320 -0.000 0.000 0.203 104 K C 0.180 176.654 176.600 -0.210 0.000 1.050 104 K CA 1.010 57.140 56.287 -0.261 0.000 0.945 104 K CB 0.303 32.509 32.500 -0.490 0.000 0.732 104 K HN 0.137 nan 8.250 nan 0.000 0.451 105 Q N -1.247 118.469 119.800 -0.141 0.000 2.457 105 Q HA -0.280 4.060 4.340 -0.000 0.000 0.283 105 Q C -1.143 174.799 176.000 -0.096 0.000 1.234 105 Q CA 1.000 56.749 55.803 -0.089 0.000 0.877 105 Q CB -2.426 26.261 28.738 -0.085 0.000 1.250 105 Q HN 0.493 nan 8.270 nan 0.000 0.481 106 Y N 0.504 120.655 120.300 -0.249 0.000 2.304 106 Y HA 0.414 4.964 4.550 -0.000 0.000 0.328 106 Y C 0.554 176.388 175.900 -0.111 0.000 1.123 106 Y CA 0.541 58.500 58.100 -0.235 0.000 1.218 106 Y CB 0.870 39.112 38.460 -0.363 0.000 1.207 106 Y HN 0.207 nan 8.280 nan 0.000 0.495 107 S N 3.671 118.928 115.700 -0.739 0.000 2.625 107 S HA 0.419 4.889 4.470 -0.000 0.000 0.271 107 S C -0.616 173.536 174.600 -0.747 0.000 1.161 107 S CA -0.456 57.484 58.200 -0.434 0.000 0.820 107 S CB 1.358 64.568 63.200 0.017 0.000 1.137 107 S HN 0.918 nan 8.310 nan 0.000 0.470 108 c N -0.561 117.937 118.600 -0.169 0.000 2.508 108 c HA 0.601 5.170 4.570 -0.000 0.000 0.407 108 c C 0.288 174.322 174.090 -0.094 0.000 1.494 108 c CA -0.090 56.171 56.329 -0.113 0.000 2.531 108 c CB -0.818 41.779 42.510 0.146 0.000 2.480 108 c HN 0.874 nan 8.230 nan 0.000 0.614 109 W N 1.246 122.657 121.300 0.185 0.000 2.127 109 W HA 0.398 5.058 4.660 -0.000 0.000 0.639 109 W C 1.237 177.845 176.519 0.149 0.000 1.437 109 W CA 0.247 57.699 57.345 0.178 0.000 0.964 109 W CB -0.255 29.343 29.460 0.231 0.000 3.456 109 W HN -0.051 nan 8.180 nan 0.000 0.747 110 D N 0.873 121.536 120.400 0.437 0.000 2.328 110 D HA -0.080 4.560 4.640 -0.000 0.000 0.221 110 D C 1.688 178.124 176.300 0.226 0.000 1.072 110 D CA 0.371 54.529 54.000 0.264 0.000 0.850 110 D CB -0.154 40.794 40.800 0.247 0.000 0.922 110 D HN 0.396 nan 8.370 nan 0.000 0.516 111 E N 1.243 121.601 120.200 0.263 0.000 2.268 111 E HA -0.032 4.317 4.350 -0.000 0.000 0.195 111 E C 1.120 177.852 176.600 0.220 0.000 0.995 111 E CA 0.791 57.319 56.400 0.213 0.000 0.836 111 E CB -0.314 29.497 29.700 0.185 0.000 0.763 111 E HN 0.090 nan 8.360 nan 0.000 0.491 112 G N 0.210 109.155 108.800 0.242 0.000 2.814 112 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.677 112 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.677 112 G C 0.646 175.730 174.900 0.307 0.000 1.429 112 G CA -0.080 45.146 45.100 0.210 0.000 0.868 112 G HN 0.105 nan 8.290 nan 0.000 0.553 113 V N 0.397 120.456 119.914 0.242 0.000 2.392 113 V HA -0.180 3.940 4.120 -0.000 0.000 0.249 113 V C 2.625 178.926 176.094 0.345 0.000 1.059 113 V CA 2.943 65.422 62.300 0.299 0.000 1.051 113 V CB -0.648 31.279 31.823 0.173 0.000 0.658 113 V HN 0.763 nan 8.190 nan 0.000 0.455 114 D N 0.691 121.237 120.400 0.243 0.000 2.097 114 D HA -0.103 4.536 4.640 -0.000 0.000 0.195 114 D C 2.267 178.693 176.300 0.209 0.000 0.989 114 D CA 1.571 55.693 54.000 0.203 0.000 0.827 114 D CB -0.760 40.123 40.800 0.139 0.000 0.966 114 D HN 0.435 nan 8.370 nan 0.000 0.456 115 G N -0.413 108.508 108.800 0.202 0.000 2.503 115 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.221 115 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.221 115 G C 1.375 176.309 174.900 0.056 0.000 1.131 115 G CA 0.660 45.824 45.100 0.107 0.000 0.756 115 G HN 0.297 nan 8.290 nan 0.000 0.572 116 W N 0.193 121.652 121.300 0.265 0.000 2.476 116 W HA 0.172 4.832 4.660 -0.000 0.000 0.281 116 W C 2.382 179.073 176.519 0.287 0.000 1.230 116 W CA -0.216 57.343 57.345 0.356 0.000 1.287 116 W CB 0.024 29.862 29.460 0.630 0.000 1.108 116 W HN 0.037 nan 8.180 nan 0.000 0.567 117 I N 0.424 121.260 120.570 0.443 0.000 2.226 117 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 117 I C 2.235 178.414 176.117 0.102 0.000 1.100 117 I CA 1.719 63.179 61.300 0.266 0.000 1.374 117 I CB -1.739 36.394 38.000 0.222 0.000 1.057 117 I HN 0.059 nan 8.210 nan 0.000 0.413 118 E N 1.675 121.924 120.200 0.081 0.000 2.058 118 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 118 E C 2.262 178.849 176.600 -0.022 0.000 0.997 118 E CA 1.506 57.919 56.400 0.020 0.000 0.801 118 E CB -0.455 29.253 29.700 0.014 0.000 0.746 118 E HN 0.479 nan 8.360 nan 0.000 0.450 119 L N 0.301 121.484 121.223 -0.066 0.000 2.046 119 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 119 L C 2.781 179.543 176.870 -0.181 0.000 1.077 119 L CA 1.736 56.558 54.840 -0.030 0.000 0.747 119 L CB -0.654 41.296 42.059 -0.182 0.000 0.896 119 L HN 0.215 nan 8.230 nan 0.000 0.432 120 K N 0.087 120.176 120.400 -0.518 0.000 2.020 120 K HA -0.218 4.102 4.320 -0.000 0.000 0.212 120 K C 2.006 178.409 176.600 -0.328 0.000 1.050 120 K CA 2.301 57.977 56.287 -1.019 0.000 0.929 120 K CB -0.149 31.992 32.500 -0.598 0.000 0.714 120 K HN 0.224 nan 8.250 nan 0.000 0.443 121 T N 0.871 115.347 114.554 -0.130 0.000 2.665 121 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 121 T C 1.878 176.526 174.700 -0.087 0.000 1.035 121 T CA 1.675 63.744 62.100 -0.052 0.000 1.151 121 T CB -0.235 68.619 68.868 -0.023 0.000 0.862 121 T HN 0.354 nan 8.240 nan 0.000 0.438 122 R N -0.033 120.425 120.500 -0.071 0.000 2.081 122 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 122 R C 2.245 178.422 176.300 -0.205 0.000 1.131 122 R CA 1.432 57.518 56.100 -0.024 0.000 0.960 122 R CB -0.547 29.860 30.300 0.178 0.000 0.856 122 R HN 0.422 nan 8.270 nan 0.000 0.436 123 F N 0.429 119.960 119.950 -0.697 0.000 2.102 123 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 123 F C 1.649 176.977 175.800 -0.787 0.000 1.105 123 F CA 1.351 58.695 58.000 -1.094 0.000 1.239 123 F CB -0.409 37.885 39.000 -1.176 0.000 0.991 123 F HN -0.087 nan 8.300 nan 0.000 0.474 124 Y N 0.862 120.659 120.300 -0.838 0.000 2.242 124 Y HA -0.150 4.400 4.550 -0.000 0.000 0.291 124 Y C 2.678 177.886 175.900 -1.154 0.000 1.137 124 Y CA 1.820 59.195 58.100 -1.209 0.000 1.181 124 Y CB -1.229 36.728 38.460 -0.837 0.000 0.989 124 Y HN 0.053 nan 8.280 nan 0.000 0.527 125 T N -0.241 114.044 114.554 -0.449 0.000 2.652 125 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 125 T C 1.927 176.369 174.700 -0.431 0.000 1.039 125 T CA 1.872 63.816 62.100 -0.260 0.000 1.153 125 T CB -0.248 68.552 68.868 -0.114 0.000 0.863 125 T HN 0.028 nan 8.240 nan 0.000 0.428 126 K N 1.060 121.207 120.400 -0.422 0.000 2.057 126 K HA 0.017 4.337 4.320 -0.000 0.000 0.207 126 K C 2.096 178.436 176.600 -0.434 0.000 1.049 126 K CA 0.951 57.035 56.287 -0.339 0.000 0.931 126 K CB -0.840 31.564 32.500 -0.160 0.000 0.714 126 K HN 0.247 nan 8.250 nan 0.000 0.440 127 L N -0.123 120.649 121.223 -0.751 0.000 2.017 127 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 127 L C 1.805 178.382 176.870 -0.487 0.000 1.073 127 L CA 1.700 56.073 54.840 -0.780 0.000 0.745 127 L CB -0.631 40.609 42.059 -1.365 0.000 0.894 127 L HN 0.210 nan 8.230 nan 0.000 0.432 128 Y N 0.249 120.274 120.300 -0.458 0.000 2.145 128 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 128 Y C 2.739 178.540 175.900 -0.166 0.000 1.145 128 Y CA 1.493 59.436 58.100 -0.262 0.000 1.148 128 Y CB -1.273 37.167 38.460 -0.033 0.000 0.981 128 Y HN 0.359 nan 8.280 nan 0.000 0.507 129 Q N -0.613 119.041 119.800 -0.243 0.000 2.045 129 Q HA -0.244 4.095 4.340 -0.000 0.000 0.206 129 Q C 2.370 178.312 176.000 -0.097 0.000 0.991 129 Q CA 2.131 57.735 55.803 -0.331 0.000 0.851 129 Q CB -0.362 28.065 28.738 -0.518 0.000 0.911 129 Q HN 0.486 nan 8.270 nan 0.000 0.418 130 M N -0.267 119.286 119.600 -0.079 0.000 2.117 130 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 130 M C 2.344 178.668 176.300 0.040 0.000 1.065 130 M CA 1.326 56.642 55.300 0.026 0.000 1.114 130 M CB -0.310 32.306 32.600 0.027 0.000 1.361 130 M HN 0.263 nan 8.290 nan 0.000 0.408 131 A N 0.507 123.341 122.820 0.023 0.000 2.032 131 A HA -0.192 4.128 4.320 -0.000 0.000 0.221 131 A C 2.172 179.825 177.584 0.114 0.000 1.165 131 A CA 2.229 54.324 52.037 0.095 0.000 0.645 131 A CB -1.352 17.759 19.000 0.185 0.000 0.807 131 A HN 0.644 nan 8.150 nan 0.000 0.453 132 T N -2.511 112.104 114.554 0.101 0.000 2.881 132 T HA -0.114 4.236 4.350 -0.000 0.000 0.270 132 T C 1.379 176.112 174.700 0.054 0.000 1.068 132 T CA 1.894 64.045 62.100 0.084 0.000 1.131 132 T CB -0.939 67.986 68.868 0.096 0.000 0.871 132 T HN 0.661 nan 8.240 nan 0.000 0.479 133 T N -0.925 113.667 114.554 0.063 0.000 3.214 133 T HA 0.513 4.863 4.350 -0.000 0.000 0.264 133 T C 0.164 174.902 174.700 0.064 0.000 1.012 133 T CA -0.704 61.431 62.100 0.058 0.000 0.901 133 T CB 0.010 68.919 68.868 0.069 0.000 1.070 133 T HN 0.262 nan 8.240 nan 0.000 0.561 134 S N 0.122 115.862 115.700 0.066 0.000 2.599 134 S HA 0.602 5.072 4.470 -0.000 0.000 0.294 134 S C 0.513 175.152 174.600 0.066 0.000 1.094 134 S CA -1.086 57.153 58.200 0.066 0.000 0.931 134 S CB 3.078 66.320 63.200 0.071 0.000 1.093 134 S HN 0.235 nan 8.310 nan 0.000 0.488 135 R N -0.365 120.172 120.500 0.061 0.000 2.102 135 R HA 0.290 4.630 4.340 -0.000 0.000 0.208 135 R C -0.211 176.137 176.300 0.081 0.000 1.131 135 R CA 0.594 56.725 56.100 0.052 0.000 1.054 135 R CB 0.004 30.322 30.300 0.029 0.000 0.954 135 R HN 0.659 nan 8.270 nan 0.000 0.465 136 c N 1.553 120.216 118.600 0.105 0.000 2.350 136 c HA 0.544 5.113 4.570 -0.000 0.000 0.348 136 c C -0.130 174.088 174.090 0.212 0.000 1.260 136 c CA -0.706 55.724 56.329 0.169 0.000 1.966 136 c CB 0.389 43.027 42.510 0.212 0.000 2.380 136 c HN 0.359 nan 8.230 nan 0.000 0.535 137 I N 3.264 124.023 120.570 0.316 0.000 2.439 137 I HA 0.416 4.586 4.170 -0.000 0.000 0.285 137 I C -0.196 176.230 176.117 0.516 0.000 1.021 137 I CA -0.198 61.292 61.300 0.318 0.000 1.091 137 I CB 0.989 39.086 38.000 0.162 0.000 1.242 137 I HN 0.542 nan 8.210 nan 0.000 0.439 138 K N 6.337 127.003 120.400 0.443 0.000 2.463 138 K HA 0.440 4.760 4.320 -0.000 0.000 0.255 138 K C -1.337 175.398 176.600 0.226 0.000 0.942 138 K CA -0.891 55.634 56.287 0.396 0.000 0.814 138 K CB 1.880 34.456 32.500 0.125 0.000 1.122 138 K HN 0.423 nan 8.250 nan 0.000 0.425 139 L N 7.203 128.535 121.223 0.182 0.000 2.433 139 L HA 0.309 4.649 4.340 -0.000 0.000 0.275 139 L C -0.606 176.186 176.870 -0.130 0.000 1.128 139 L CA 0.229 54.955 54.840 -0.190 0.000 0.875 139 L CB 0.046 41.991 42.059 -0.190 0.000 1.171 139 L HN 0.540 nan 8.230 nan 0.000 0.463 140 I N 1.710 122.191 120.570 -0.149 0.000 2.693 140 I HA 0.553 4.723 4.170 -0.000 0.000 0.303 140 I C -0.527 175.528 176.117 -0.104 0.000 1.025 140 I CA -0.945 60.296 61.300 -0.098 0.000 1.086 140 I CB 1.647 39.620 38.000 -0.044 0.000 1.268 140 I HN 0.390 nan 8.210 nan 0.000 0.440 141 Q N 3.839 123.589 119.800 -0.082 0.000 2.230 141 Q HA 0.580 4.919 4.340 -0.000 0.000 0.248 141 Q C -1.048 174.920 176.000 -0.053 0.000 0.915 141 Q CA -0.527 55.233 55.803 -0.071 0.000 0.900 141 Q CB 2.456 31.159 28.738 -0.058 0.000 1.229 141 Q HN 0.631 nan 8.270 nan 0.000 0.439 142 L N 2.176 123.370 121.223 -0.048 0.000 2.317 142 L HA 0.236 4.576 4.340 -0.000 0.000 0.281 142 L C 0.346 177.214 176.870 -0.003 0.000 1.024 142 L CA -0.917 53.906 54.840 -0.029 0.000 0.810 142 L CB 1.402 43.439 42.059 -0.037 0.000 1.240 142 L HN 0.322 nan 8.230 nan 0.000 0.427 143 Q N 2.333 122.134 119.800 0.002 0.000 2.269 143 Q HA 0.092 4.432 4.340 -0.000 0.000 0.300 143 Q C 0.144 176.161 176.000 0.029 0.000 1.070 143 Q CA 0.044 55.852 55.803 0.008 0.000 0.957 143 Q CB 0.803 29.542 28.738 0.001 0.000 1.131 143 Q HN 0.672 nan 8.270 nan 0.000 0.377 144 A N 5.856 128.696 122.820 0.033 0.000 2.466 144 A HA 0.311 4.631 4.320 -0.000 0.000 0.238 144 A C -1.895 175.678 177.584 -0.018 0.000 1.074 144 A CA -1.005 51.062 52.037 0.050 0.000 0.774 144 A CB -0.420 18.619 19.000 0.064 0.000 1.015 144 A HN 0.453 nan 8.150 nan 0.000 0.498 145 P HA 0.130 nan 4.420 nan 0.000 0.267 145 P C 0.735 177.987 177.300 -0.081 0.000 1.209 145 P CA 0.185 63.207 63.100 -0.129 0.000 0.763 145 P CB 0.810 32.339 31.700 -0.286 0.000 0.816 146 S N 0.869 116.537 115.700 -0.052 0.000 2.387 146 S HA -0.106 4.363 4.470 -0.000 0.000 0.230 146 S C 1.056 175.633 174.600 -0.038 0.000 1.035 146 S CA 1.313 59.491 58.200 -0.037 0.000 1.014 146 S CB -0.120 63.061 63.200 -0.031 0.000 0.836 146 S HN 0.497 nan 8.310 nan 0.000 0.466 147 S N -0.005 115.666 115.700 -0.048 0.000 2.475 147 S HA 0.715 5.185 4.470 -0.000 0.000 0.298 147 S C -0.967 173.597 174.600 -0.060 0.000 1.119 147 S CA -0.606 57.568 58.200 -0.043 0.000 1.085 147 S CB 0.744 63.922 63.200 -0.037 0.000 1.028 147 S HN 0.259 nan 8.310 nan 0.000 0.489 148 L N 5.659 126.857 121.223 -0.042 0.000 2.596 148 L HA 0.432 4.772 4.340 -0.000 0.000 0.265 148 L C -2.060 174.801 176.870 -0.014 0.000 0.962 148 L CA -1.183 53.633 54.840 -0.039 0.000 0.891 148 L CB 2.205 44.249 42.059 -0.025 0.000 1.248 148 L HN 0.545 nan 8.230 nan 0.000 0.410 149 P HA 0.282 nan 4.420 nan 0.000 0.277 149 P C -0.428 176.876 177.300 0.008 0.000 1.271 149 P CA -0.411 62.687 63.100 -0.004 0.000 0.795 149 P CB 0.448 32.143 31.700 -0.008 0.000 1.101 150 T N 0.673 115.230 114.554 0.006 0.000 2.933 150 T HA 0.213 4.563 4.350 -0.000 0.000 0.306 150 T C 0.242 174.952 174.700 0.016 0.000 1.045 150 T CA 0.410 62.517 62.100 0.012 0.000 1.143 150 T CB -0.342 68.530 68.868 0.006 0.000 1.003 150 T HN 0.200 nan 8.240 nan 0.000 0.540 151 L N 2.561 123.800 121.223 0.028 0.000 2.431 151 L HA 0.451 4.791 4.340 -0.000 0.000 0.266 151 L C -0.175 176.716 176.870 0.034 0.000 0.978 151 L CA -0.833 54.028 54.840 0.035 0.000 0.822 151 L CB 2.402 44.500 42.059 0.065 0.000 1.310 151 L HN 0.568 nan 8.230 nan 0.000 0.409 152 Q N 2.207 122.026 119.800 0.032 0.000 2.271 152 Q HA 0.685 5.025 4.340 -0.000 0.000 0.258 152 Q C -0.418 175.612 176.000 0.050 0.000 0.936 152 Q CA -0.661 55.166 55.803 0.041 0.000 0.909 152 Q CB 2.015 30.778 28.738 0.042 0.000 1.253 152 Q HN 0.747 nan 8.270 nan 0.000 0.440 153 A N 3.094 125.945 122.820 0.052 0.000 2.540 153 A HA 0.424 4.744 4.320 -0.000 0.000 0.239 153 A C 0.569 178.202 177.584 0.083 0.000 1.061 153 A CA 0.506 52.576 52.037 0.055 0.000 0.758 153 A CB 0.074 19.104 19.000 0.050 0.000 0.991 153 A HN 0.884 nan 8.150 nan 0.000 0.502 154 G N -0.156 108.701 108.800 0.094 0.000 2.634 154 G HA2 0.532 4.492 3.960 -0.000 0.000 0.255 154 G HA3 0.532 4.492 3.960 -0.000 0.000 0.255 154 G C 0.020 175.023 174.900 0.172 0.000 1.205 154 G CA 0.359 45.551 45.100 0.152 0.000 0.884 154 G HN 2.004 nan 8.290 nan 0.000 0.549 155 V N -3.149 116.918 119.914 0.255 0.000 3.007 155 V HA 0.590 4.709 4.120 -0.000 0.000 0.311 155 V C -0.029 176.210 176.094 0.241 0.000 1.120 155 V CA -1.455 60.959 62.300 0.189 0.000 0.980 155 V CB 1.014 32.911 31.823 0.122 0.000 1.033 155 V HN 0.870 nan 8.190 nan 0.000 0.429 156 c N 2.941 121.562 118.600 0.036 0.000 2.601 156 c HA 0.362 4.931 4.570 -0.000 0.000 0.409 156 c C 2.098 175.830 174.090 -0.596 0.000 1.293 156 c CA -0.043 56.135 56.329 -0.252 0.000 2.101 156 c CB 0.335 42.724 42.510 -0.200 0.000 2.639 156 c HN 1.095 nan 8.230 nan 0.000 0.592 157 R N 0.973 120.671 120.500 -1.336 0.000 2.120 157 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 157 R C 1.992 178.001 176.300 -0.485 0.000 1.123 157 R CA 2.030 57.528 56.100 -1.003 0.000 0.975 157 R CB -0.358 29.236 30.300 -1.176 0.000 0.866 157 R HN 0.974 nan 8.270 nan 0.000 0.446 158 T N -1.859 112.440 114.554 -0.425 0.000 3.160 158 T HA 0.014 4.364 4.350 -0.000 0.000 0.257 158 T C 0.376 174.945 174.700 -0.220 0.000 1.147 158 T CA 0.588 62.521 62.100 -0.278 0.000 1.064 158 T CB -0.183 68.509 68.868 -0.293 0.000 0.949 158 T HN 0.298 nan 8.240 nan 0.000 0.526 159 N N 0.204 118.779 118.700 -0.208 0.000 2.741 159 N HA -0.139 4.601 4.740 -0.000 0.000 0.251 159 N C -0.315 175.125 175.510 -0.118 0.000 1.112 159 N CA 1.049 54.019 53.050 -0.133 0.000 0.750 159 N CB -1.438 36.989 38.487 -0.100 0.000 1.119 159 N HN 0.629 nan 8.380 nan 0.000 0.561 160 K N -0.200 120.102 120.400 -0.163 0.000 2.209 160 K HA 0.384 4.704 4.320 -0.000 0.000 0.238 160 K C 0.510 177.100 176.600 -0.016 0.000 1.028 160 K CA -0.687 55.529 56.287 -0.118 0.000 0.935 160 K CB 0.416 32.730 32.500 -0.311 0.000 1.162 160 K HN -0.053 nan 8.250 nan 0.000 0.485 161 Q N 1.798 121.674 119.800 0.126 0.000 2.293 161 Q HA 0.145 4.485 4.340 -0.000 0.000 0.263 161 Q C -1.182 174.930 176.000 0.186 0.000 1.002 161 Q CA -0.227 55.577 55.803 0.002 0.000 0.910 161 Q CB 0.438 28.970 28.738 -0.344 0.000 1.185 161 Q HN 0.365 nan 8.270 nan 0.000 0.401 162 L N 7.506 128.773 121.223 0.074 0.000 2.499 162 L HA 0.294 4.633 4.340 -0.000 0.000 0.273 162 L C -2.212 174.651 176.870 -0.011 0.000 1.195 162 L CA -1.112 53.780 54.840 0.085 0.000 0.882 162 L CB 0.281 42.380 42.059 0.067 0.000 1.133 162 L HN 0.630 nan 8.230 nan 0.000 0.483 163 P HA 0.018 nan 4.420 nan 0.000 0.264 163 P C -0.462 176.579 177.300 -0.431 0.000 1.183 163 P CA 0.196 62.764 63.100 -0.888 0.000 0.763 163 P CB 0.443 31.628 31.700 -0.858 0.000 0.807 164 D N 0.910 121.060 120.400 -0.417 0.000 2.323 164 D HA -0.032 4.608 4.640 -0.000 0.000 0.209 164 D C 0.325 176.487 176.300 -0.230 0.000 0.973 164 D CA 1.386 55.272 54.000 -0.190 0.000 0.874 164 D CB -0.001 40.766 40.800 -0.054 0.000 0.930 164 D HN 0.329 nan 8.370 nan 0.000 0.521 165 N N 0.547 119.078 118.700 -0.282 0.000 2.454 165 N HA 0.190 4.930 4.740 -0.000 0.000 0.291 165 N C -2.855 172.579 175.510 -0.126 0.000 1.079 165 N CA -1.698 51.211 53.050 -0.236 0.000 0.893 165 N CB 2.533 40.866 38.487 -0.257 0.000 1.512 165 N HN -0.275 nan 8.380 nan 0.000 0.497 166 P HA 0.146 nan 4.420 nan 0.000 0.274 166 P C -0.646 176.523 177.300 -0.219 0.000 1.237 166 P CA -0.338 62.657 63.100 -0.174 0.000 0.793 166 P CB 0.922 32.561 31.700 -0.102 0.000 0.977 167 R N 1.704 121.973 120.500 -0.386 0.000 2.370 167 R HA 0.212 4.552 4.340 -0.000 0.000 0.309 167 R C -0.539 175.591 176.300 -0.283 0.000 1.059 167 R CA -0.496 55.358 56.100 -0.410 0.000 0.981 167 R CB -0.232 29.614 30.300 -0.757 0.000 0.972 167 R HN 0.364 nan 8.270 nan 0.000 0.437 168 L N 4.461 125.608 121.223 -0.127 0.000 2.287 168 L HA 0.627 4.967 4.340 -0.000 0.000 0.287 168 L C -1.239 175.624 176.870 -0.012 0.000 1.022 168 L CA -0.057 54.756 54.840 -0.046 0.000 0.814 168 L CB 1.355 43.432 42.059 0.029 0.000 1.217 168 L HN 0.765 nan 8.230 nan 0.000 0.420 169 A N 4.591 127.414 122.820 0.004 0.000 2.587 169 A HA 0.793 5.112 4.320 -0.000 0.000 0.293 169 A C -2.012 175.591 177.584 0.032 0.000 1.087 169 A CA -0.580 51.475 52.037 0.030 0.000 0.692 169 A CB 1.302 20.322 19.000 0.033 0.000 1.291 169 A HN 0.518 nan 8.150 nan 0.000 0.407 170 L N 1.353 122.591 121.223 0.026 0.000 2.296 170 L HA 0.535 4.875 4.340 -0.000 0.000 0.286 170 L C 0.001 176.844 176.870 -0.045 0.000 1.023 170 L CA 0.043 54.869 54.840 -0.023 0.000 0.812 170 L CB 1.104 43.167 42.059 0.006 0.000 1.223 170 L HN 0.693 nan 8.230 nan 0.000 0.421 171 L N 1.363 122.525 121.223 -0.103 0.000 2.475 171 L HA 0.277 4.616 4.340 -0.000 0.000 0.253 171 L C 1.437 178.259 176.870 -0.080 0.000 1.198 171 L CA -0.101 54.691 54.840 -0.081 0.000 0.814 171 L CB 0.635 42.633 42.059 -0.101 0.000 1.134 171 L HN 0.679 nan 8.230 nan 0.000 0.478 172 S N -0.846 114.823 115.700 -0.052 0.000 2.414 172 S HA -0.064 4.406 4.470 -0.000 0.000 0.227 172 S C 0.086 174.654 174.600 -0.054 0.000 1.022 172 S CA 0.694 58.870 58.200 -0.040 0.000 0.958 172 S CB -0.326 62.860 63.200 -0.023 0.000 0.797 172 S HN 0.831 nan 8.310 nan 0.000 0.493 173 D N -0.113 120.247 120.400 -0.067 0.000 2.621 173 D HA 0.369 5.009 4.640 -0.000 0.000 0.255 173 D C 0.309 176.545 176.300 -0.108 0.000 1.122 173 D CA -0.486 53.473 54.000 -0.068 0.000 1.096 173 D CB 0.295 41.068 40.800 -0.046 0.000 1.282 173 D HN 0.062 nan 8.370 nan 0.000 0.619 174 T N -3.150 111.348 114.554 -0.093 0.000 3.182 174 T HA 0.321 4.671 4.350 -0.000 0.000 0.277 174 T C 0.083 174.738 174.700 -0.074 0.000 1.013 174 T CA -0.460 61.569 62.100 -0.118 0.000 0.900 174 T CB -0.576 68.232 68.868 -0.101 0.000 1.098 174 T HN 0.198 nan 8.240 nan 0.000 0.543 175 V N 3.589 123.470 119.914 -0.055 0.000 2.546 175 V HA 0.383 4.502 4.120 -0.000 0.000 0.284 175 V C -2.094 173.985 176.094 -0.024 0.000 1.050 175 V CA -2.065 60.218 62.300 -0.029 0.000 0.981 175 V CB 1.313 33.124 31.823 -0.020 0.000 0.990 175 V HN 0.311 nan 8.190 nan 0.000 0.474 176 P HA 0.148 nan 4.420 nan 0.000 0.265 176 P C -0.350 176.957 177.300 0.011 0.000 1.187 176 P CA 0.603 63.711 63.100 0.013 0.000 0.766 176 P CB 0.416 32.133 31.700 0.028 0.000 0.820 177 T N 0.984 115.550 114.554 0.020 0.000 2.739 177 T HA 0.574 4.924 4.350 -0.000 0.000 0.303 177 T C -1.449 173.278 174.700 0.044 0.000 1.389 177 T CA -0.373 61.740 62.100 0.021 0.000 1.001 177 T CB 0.892 69.762 68.868 0.003 0.000 1.436 177 T HN 0.153 nan 8.240 nan 0.000 0.500 178 S N 0.569 116.293 115.700 0.040 0.000 2.546 178 S HA 0.712 5.182 4.470 -0.000 0.000 0.272 178 S C -0.858 173.760 174.600 0.031 0.000 1.140 178 S CA -0.648 57.588 58.200 0.060 0.000 0.920 178 S CB 1.501 64.742 63.200 0.069 0.000 1.083 178 S HN 0.889 nan 8.310 nan 0.000 0.476 179 V N 1.450 121.384 119.914 0.033 0.000 2.815 179 V HA 0.733 4.852 4.120 -0.000 0.000 0.314 179 V C -0.720 175.395 176.094 0.034 0.000 1.064 179 V CA -0.858 61.428 62.300 -0.024 0.000 0.952 179 V CB 1.704 33.435 31.823 -0.153 0.000 1.020 179 V HN 0.826 nan 8.190 nan 0.000 0.439 180 Q N 2.288 122.087 119.800 -0.001 0.000 2.290 180 Q HA 0.685 5.025 4.340 -0.000 0.000 0.259 180 Q C -1.101 174.924 176.000 0.041 0.000 0.941 180 Q CA -0.545 55.262 55.803 0.006 0.000 0.912 180 Q CB 1.601 30.315 28.738 -0.041 0.000 1.244 180 Q HN 0.853 nan 8.270 nan 0.000 0.441 181 F N 1.133 121.042 119.950 -0.069 0.000 2.579 181 F HA 0.853 5.380 4.527 -0.000 0.000 0.324 181 F C -1.473 174.303 175.800 -0.040 0.000 1.058 181 F CA -1.230 56.718 58.000 -0.086 0.000 0.944 181 F CB 1.027 39.958 39.000 -0.115 0.000 1.245 181 F HN 0.162 nan 8.300 nan 0.000 0.477 182 V N 3.711 123.651 119.914 0.044 0.000 2.448 182 V HA 0.398 4.517 4.120 -0.000 0.000 0.295 182 V C -0.371 175.699 176.094 -0.040 0.000 1.025 182 V CA -0.798 61.467 62.300 -0.058 0.000 0.859 182 V CB 1.658 33.452 31.823 -0.048 0.000 0.988 182 V HN 0.745 nan 8.190 nan 0.000 0.431 183 L N 7.710 128.854 121.223 -0.133 0.000 2.262 183 L HA 0.443 4.783 4.340 -0.000 0.000 0.288 183 L C -2.190 174.558 176.870 -0.204 0.000 1.035 183 L CA -1.640 52.984 54.840 -0.360 0.000 0.820 183 L CB 1.810 43.514 42.059 -0.592 0.000 1.204 183 L HN 0.409 nan 8.230 nan 0.000 0.424 184 P HA 0.053 nan 4.420 nan 0.000 0.272 184 P C 0.710 178.091 177.300 0.135 0.000 1.223 184 P CA -0.204 62.915 63.100 0.032 0.000 0.784 184 P CB 1.223 32.946 31.700 0.038 0.000 0.923 185 G N 0.965 109.809 108.800 0.072 0.000 2.443 185 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.219 185 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.219 185 G C 0.468 175.400 174.900 0.053 0.000 1.131 185 G CA 0.781 45.921 45.100 0.067 0.000 0.775 185 G HN 0.782 nan 8.290 nan 0.000 0.547 186 S N -2.317 113.409 115.700 0.043 0.000 2.656 186 S HA 0.646 5.116 4.470 -0.000 0.000 0.273 186 S C -0.983 173.622 174.600 0.007 0.000 1.168 186 S CA -0.008 58.203 58.200 0.019 0.000 0.817 186 S CB 1.899 65.105 63.200 0.009 0.000 1.146 186 S HN 0.566 nan 8.310 nan 0.000 0.475 187 S N 0.191 115.879 115.700 -0.021 0.000 2.387 187 S HA 0.588 5.058 4.470 -0.000 0.000 0.211 187 S C 0.568 175.113 174.600 -0.092 0.000 1.055 187 S CA 0.684 58.851 58.200 -0.054 0.000 1.133 187 S CB -0.171 62.990 63.200 -0.065 0.000 1.235 187 S HN 2.654 nan 8.310 nan 0.000 0.425 188 G N 3.930 112.688 108.800 -0.071 0.000 2.556 188 G HA2 -0.381 3.578 3.960 -0.000 0.000 0.283 188 G HA3 -0.381 3.578 3.960 -0.000 0.000 0.283 188 G C 1.048 175.926 174.900 -0.038 0.000 1.177 188 G CA 1.148 46.207 45.100 -0.068 0.000 0.978 188 G HN 1.807 nan 8.290 nan 0.000 0.554 189 T N -1.662 112.876 114.554 -0.026 0.000 3.035 189 T HA 0.258 4.608 4.350 -0.000 0.000 0.268 189 T C 1.257 175.976 174.700 0.032 0.000 1.109 189 T CA 1.991 64.102 62.100 0.018 0.000 1.119 189 T CB -0.313 68.588 68.868 0.055 0.000 0.900 189 T HN 0.856 nan 8.240 nan 0.000 0.503 190 T N 4.188 118.747 114.554 0.009 0.000 2.832 190 T HA 0.438 4.787 4.350 -0.000 0.000 0.296 190 T C 0.129 174.840 174.700 0.017 0.000 0.968 190 T CA -0.659 61.465 62.100 0.040 0.000 1.107 190 T CB 0.466 69.350 68.868 0.028 0.000 0.916 190 T HN 0.134 nan 8.240 nan 0.000 0.517 191 I N 2.578 123.166 120.570 0.030 0.000 2.441 191 I HA 0.163 4.332 4.170 -0.000 0.000 0.287 191 I C 0.371 176.479 176.117 -0.014 0.000 1.049 191 I CA -0.904 60.404 61.300 0.013 0.000 1.381 191 I CB 0.309 38.322 38.000 0.022 0.000 1.409 191 I HN 0.697 nan 8.210 nan 0.000 0.523 192 c N 5.093 123.671 118.600 -0.037 0.000 2.176 192 c HA 0.247 4.817 4.570 -0.000 0.000 0.329 192 c C 1.835 175.866 174.090 -0.098 0.000 1.113 192 c CA -0.540 55.703 56.329 -0.144 0.000 1.562 192 c CB -0.680 41.695 42.510 -0.225 0.000 2.040 192 c HN 0.912 nan 8.230 nan 0.000 0.460 193 T N -1.171 113.332 114.554 -0.086 0.000 3.043 193 T HA 0.019 4.369 4.350 -0.000 0.000 0.263 193 T C 0.593 175.244 174.700 -0.081 0.000 1.094 193 T CA 0.747 62.828 62.100 -0.032 0.000 1.127 193 T CB 0.217 69.092 68.868 0.012 0.000 0.905 193 T HN 0.753 nan 8.240 nan 0.000 0.490 194 K N -0.112 120.149 120.400 -0.231 0.000 2.522 194 K HA 0.393 4.713 4.320 -0.000 0.000 0.275 194 K C -1.843 174.428 176.600 -0.548 0.000 1.006 194 K CA -0.870 55.169 56.287 -0.414 0.000 0.890 194 K CB 1.410 33.480 32.500 -0.716 0.000 1.475 194 K HN 0.223 nan 8.250 nan 0.000 0.441 195 H N 0.478 119.312 119.070 -0.394 0.000 2.679 195 H HA 0.349 4.905 4.556 -0.000 0.000 0.360 195 H C -1.092 174.101 175.328 -0.225 0.000 1.105 195 H CA -0.832 55.078 56.048 -0.231 0.000 1.196 195 H CB 2.565 32.212 29.762 -0.190 0.000 1.636 195 H HN 0.474 nan 8.280 nan 0.000 0.531 196 L N 4.030 125.274 121.223 0.035 0.000 2.260 196 L HA 0.394 4.734 4.340 -0.000 0.000 0.289 196 L C -1.089 175.862 176.870 0.134 0.000 1.057 196 L CA -0.595 54.305 54.840 0.099 0.000 0.811 196 L CB 0.216 42.372 42.059 0.162 0.000 1.184 196 L HN 0.262 nan 8.230 nan 0.000 0.429 197 V N 6.319 126.289 119.914 0.095 0.000 2.638 197 V HA 0.495 4.615 4.120 -0.000 0.000 0.306 197 V C -2.281 173.861 176.094 0.079 0.000 1.052 197 V CA -1.444 60.880 62.300 0.039 0.000 0.885 197 V CB 1.871 33.653 31.823 -0.068 0.000 0.999 197 V HN 0.671 nan 8.190 nan 0.000 0.424 198 P HA 0.350 nan 4.420 nan 0.000 0.279 198 P C -1.224 176.129 177.300 0.087 0.000 1.239 198 P CA -0.222 62.821 63.100 -0.095 0.000 0.789 198 P CB 1.040 32.653 31.700 -0.146 0.000 0.933 199 F N 4.167 123.995 119.950 -0.203 0.000 2.499 199 F HA 0.492 5.018 4.527 -0.000 0.000 0.333 199 F C -1.270 174.378 175.800 -0.252 0.000 1.138 199 F CA -0.309 57.557 58.000 -0.224 0.000 0.945 199 F CB 0.802 39.577 39.000 -0.375 0.000 1.181 199 F HN 0.327 nan 8.300 nan 0.000 0.435 200 c N 4.810 122.962 118.600 -0.746 0.000 2.889 200 c HA 0.881 5.451 4.570 -0.000 0.000 0.307 200 c C -1.113 172.453 174.090 -0.874 0.000 1.251 200 c CA -0.955 54.897 56.329 -0.795 0.000 1.593 200 c CB 1.239 43.351 42.510 -0.664 0.000 2.104 200 c HN 0.863 nan 8.230 nan 0.000 0.476 201 Y N -1.546 118.140 120.300 -1.024 0.000 2.677 201 Y HA 0.734 5.284 4.550 -0.000 0.000 0.334 201 Y C -1.676 173.453 175.900 -1.285 0.000 1.196 201 Y CA -1.528 55.918 58.100 -1.089 0.000 1.059 201 Y CB 0.416 38.259 38.460 -1.027 0.000 1.315 201 Y HN 0.496 nan 8.280 nan 0.000 0.455 202 L N 4.125 124.427 121.223 -1.534 0.000 2.257 202 L HA 0.397 4.737 4.340 -0.000 0.000 0.290 202 L C -0.379 175.907 176.870 -0.973 0.000 1.044 202 L CA -0.638 53.447 54.840 -1.258 0.000 0.810 202 L CB 0.769 42.004 42.059 -1.374 0.000 1.193 202 L HN 0.837 nan 8.230 nan 0.000 0.425 203 N N 1.680 120.025 118.700 -0.591 0.000 2.566 203 N HA 0.221 4.960 4.740 -0.000 0.000 0.299 203 N C -0.381 175.083 175.510 -0.076 0.000 1.277 203 N CA -0.707 52.141 53.050 -0.336 0.000 0.965 203 N CB 0.189 38.428 38.487 -0.414 0.000 1.142 203 N HN 0.620 nan 8.380 nan 0.000 0.596 204 H N -1.755 117.421 119.070 0.176 0.000 2.929 204 H HA 0.079 4.634 4.556 -0.000 0.000 0.341 204 H C 0.726 176.155 175.328 0.167 0.000 1.258 204 H CA 0.725 56.848 56.048 0.124 0.000 1.185 204 H CB -1.695 28.077 29.762 0.017 0.000 1.553 204 H HN 1.188 nan 8.280 nan 0.000 0.438 205 G N -1.346 107.620 108.800 0.276 0.000 2.685 205 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.387 205 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.387 205 G C 0.504 175.544 174.900 0.234 0.000 1.324 205 G CA -0.445 44.777 45.100 0.204 0.000 0.878 205 G HN 1.232 nan 8.290 nan 0.000 0.527 206 c N -1.463 117.243 118.600 0.177 0.000 2.727 206 c HA 0.659 5.229 4.570 -0.000 0.000 0.401 206 c C 0.566 174.830 174.090 0.290 0.000 1.294 206 c CA -0.384 56.060 56.329 0.193 0.000 2.134 206 c CB -0.099 42.497 42.510 0.143 0.000 2.724 206 c HN 1.323 nan 8.230 nan 0.000 0.677 207 F N 1.422 121.435 119.950 0.105 0.000 2.427 207 F HA 0.413 4.940 4.527 -0.000 0.000 0.348 207 F C 0.499 176.420 175.800 0.202 0.000 1.125 207 F CA -0.193 57.822 58.000 0.025 0.000 0.989 207 F CB 1.185 39.970 39.000 -0.359 0.000 1.165 207 F HN 0.826 nan 8.300 nan 0.000 0.442 208 T N 4.190 118.711 114.554 -0.056 0.000 2.853 208 T HA 0.306 4.656 4.350 -0.000 0.000 0.298 208 T C -0.134 174.685 174.700 0.199 0.000 0.978 208 T CA 0.284 62.419 62.100 0.058 0.000 1.152 208 T CB 0.626 69.478 68.868 -0.026 0.000 0.914 208 T HN 0.683 nan 8.240 nan 0.000 0.539 209 T N 1.547 116.271 114.554 0.284 0.000 3.097 209 T HA 0.504 4.854 4.350 -0.000 0.000 0.332 209 T C 0.621 175.412 174.700 0.151 0.000 1.269 209 T CA 0.332 62.602 62.100 0.283 0.000 1.076 209 T CB 0.738 69.862 68.868 0.427 0.000 1.209 209 T HN 1.072 nan 8.240 nan 0.000 0.474 210 G N 2.239 111.109 108.800 0.116 0.000 2.305 210 G HA2 0.103 4.063 3.960 -0.000 0.000 0.287 210 G HA3 0.103 4.063 3.960 -0.000 0.000 0.287 210 G C 1.288 176.226 174.900 0.063 0.000 1.036 210 G CA 1.093 46.236 45.100 0.072 0.000 0.887 210 G HN 2.291 nan 8.290 nan 0.000 0.505 211 G N -2.042 106.800 108.800 0.071 0.000 2.179 211 G HA2 0.170 4.130 3.960 -0.000 0.000 0.257 211 G HA3 0.170 4.130 3.960 -0.000 0.000 0.257 211 G C 0.408 175.342 174.900 0.056 0.000 1.010 211 G CA 1.249 46.383 45.100 0.057 0.000 0.736 211 G HN 2.534 nan 8.290 nan 0.000 0.513 212 S N -1.994 113.749 115.700 0.072 0.000 2.572 212 S HA 0.502 4.972 4.470 -0.000 0.000 0.274 212 S C -0.269 174.394 174.600 0.105 0.000 1.150 212 S CA -0.334 57.910 58.200 0.072 0.000 0.944 212 S CB 1.680 64.915 63.200 0.058 0.000 1.071 212 S HN 1.113 nan 8.310 nan 0.000 0.479 213 c N 5.034 123.693 118.600 0.099 0.000 2.492 213 c HA 0.451 5.021 4.570 -0.000 0.000 0.362 213 c C 0.107 174.288 174.090 0.153 0.000 1.207 213 c CA -0.379 56.028 56.329 0.129 0.000 1.626 213 c CB -2.273 40.296 42.510 0.098 0.000 2.239 213 c HN 0.773 nan 8.230 nan 0.000 0.547 214 L N 8.251 129.614 121.223 0.234 0.000 2.343 214 L HA 0.435 4.774 4.340 -0.000 0.000 0.275 214 L C -1.953 175.072 176.870 0.258 0.000 1.056 214 L CA -1.836 53.137 54.840 0.221 0.000 0.804 214 L CB 1.133 43.313 42.059 0.203 0.000 1.203 214 L HN 0.358 nan 8.230 nan 0.000 0.440 215 P HA -0.025 nan 4.420 nan 0.000 0.268 215 P C -1.053 176.318 177.300 0.118 0.000 1.204 215 P CA 0.251 63.350 63.100 -0.001 0.000 0.768 215 P CB 0.213 31.835 31.700 -0.129 0.000 0.842 216 F N 3.297 123.166 119.950 -0.134 0.000 2.334 216 F HA 0.583 5.110 4.527 -0.000 0.000 0.367 216 F C 0.354 176.047 175.800 -0.179 0.000 1.115 216 F CA 0.056 57.981 58.000 -0.125 0.000 1.116 216 F CB 0.694 39.507 39.000 -0.312 0.000 1.230 216 F HN 0.318 nan 8.300 nan 0.000 0.484 217 G N 5.709 114.526 108.800 0.029 0.000 2.753 217 G HA2 0.544 4.504 3.960 -0.000 0.000 0.282 217 G HA3 0.544 4.504 3.960 -0.000 0.000 0.282 217 G C -1.886 173.112 174.900 0.163 0.000 1.512 217 G CA -0.656 44.525 45.100 0.136 0.000 1.076 217 G HN 0.753 nan 8.290 nan 0.000 0.545 218 V N -0.090 119.976 119.914 0.254 0.000 3.007 218 V HA 0.984 5.104 4.120 -0.000 0.000 0.311 218 V C -0.281 176.009 176.094 0.326 0.000 1.120 218 V CA -0.926 61.506 62.300 0.219 0.000 0.980 218 V CB 1.606 33.505 31.823 0.126 0.000 1.033 218 V HN 1.292 nan 8.190 nan 0.000 0.429 219 S N 1.917 117.789 115.700 0.288 0.000 2.550 219 S HA 0.801 5.271 4.470 -0.000 0.000 0.270 219 S C -1.755 173.042 174.600 0.328 0.000 1.145 219 S CA -0.720 57.578 58.200 0.164 0.000 0.852 219 S CB 1.585 64.742 63.200 -0.071 0.000 1.119 219 S HN 0.814 nan 8.310 nan 0.000 0.465 220 Y N 0.566 120.993 120.300 0.212 0.000 2.328 220 Y HA 0.742 5.292 4.550 -0.000 0.000 0.337 220 Y C -0.118 175.978 175.900 0.326 0.000 1.008 220 Y CA -1.593 56.714 58.100 0.344 0.000 1.129 220 Y CB 1.343 40.033 38.460 0.383 0.000 1.185 220 Y HN 0.622 nan 8.280 nan 0.000 0.476 221 V N 2.628 122.866 119.914 0.540 0.000 2.808 221 V HA 0.728 4.848 4.120 -0.000 0.000 0.308 221 V C -0.415 175.902 176.094 0.372 0.000 1.099 221 V CA -0.876 61.696 62.300 0.455 0.000 0.920 221 V CB 1.846 33.873 31.823 0.341 0.000 1.014 221 V HN 0.830 nan 8.190 nan 0.000 0.425 222 S N 1.133 117.031 115.700 0.330 0.000 2.911 222 S HA 0.481 4.951 4.470 -0.000 0.000 0.319 222 S C 0.256 174.914 174.600 0.097 0.000 1.154 222 S CA -0.509 57.730 58.200 0.064 0.000 0.857 222 S CB 1.953 65.009 63.200 -0.241 0.000 1.279 222 S HN 0.581 nan 8.310 nan 0.000 0.593 223 D N 1.156 121.565 120.400 0.014 0.000 2.183 223 D HA -0.019 4.621 4.640 -0.000 0.000 0.203 223 D C 1.782 178.122 176.300 0.068 0.000 0.969 223 D CA 1.720 55.738 54.000 0.031 0.000 0.842 223 D CB -0.025 40.770 40.800 -0.008 0.000 0.957 223 D HN 0.610 nan 8.370 nan 0.000 0.484 224 S N -0.979 114.776 115.700 0.092 0.000 2.548 224 S HA 0.067 4.536 4.470 -0.000 0.000 0.215 224 S C 0.229 174.997 174.600 0.281 0.000 0.976 224 S CA -0.551 57.737 58.200 0.147 0.000 0.908 224 S CB 0.143 63.422 63.200 0.132 0.000 0.781 224 S HN 0.083 nan 8.310 nan 0.000 0.519 225 F N 0.935 120.975 119.950 0.150 0.000 2.578 225 F HA 0.676 5.203 4.527 -0.000 0.000 0.311 225 F C -1.461 174.514 175.800 0.292 0.000 1.094 225 F CA -1.396 56.750 58.000 0.244 0.000 0.923 225 F CB 1.825 41.048 39.000 0.373 0.000 1.230 225 F HN 0.134 nan 8.300 nan 0.000 0.450 226 Y N 5.879 125.892 120.300 -0.477 0.000 2.401 226 Y HA 0.506 5.056 4.550 -0.000 0.000 0.330 226 Y C -2.263 173.351 175.900 -0.478 0.000 1.071 226 Y CA -1.008 56.932 58.100 -0.267 0.000 1.049 226 Y CB 1.311 39.680 38.460 -0.151 0.000 1.239 226 Y HN 0.612 nan 8.280 nan 0.000 0.437 227 Y N 4.496 124.246 120.300 -0.916 0.000 2.361 227 Y HA 0.720 5.270 4.550 -0.000 0.000 0.328 227 Y C -0.486 174.706 175.900 -1.181 0.000 1.044 227 Y CA -0.510 57.073 58.100 -0.862 0.000 1.085 227 Y CB 2.008 40.101 38.460 -0.613 0.000 1.194 227 Y HN 0.820 nan 8.280 nan 0.000 0.438 228 G N 2.989 111.197 108.800 -0.986 0.000 2.695 228 G HA2 0.468 4.428 3.960 -0.000 0.000 0.290 228 G HA3 0.468 4.428 3.960 -0.000 0.000 0.290 228 G C -2.756 172.114 174.900 -0.050 0.000 1.410 228 G CA -0.789 44.062 45.100 -0.416 0.000 0.844 228 G HN 0.513 nan 8.290 nan 0.000 0.478 229 Y N 0.032 120.360 120.300 0.046 0.000 2.504 229 Y HA 0.729 5.278 4.550 -0.000 0.000 0.344 229 Y C -2.074 173.859 175.900 0.054 0.000 1.023 229 Y CA -1.464 56.561 58.100 -0.124 0.000 1.020 229 Y CB 2.354 40.452 38.460 -0.602 0.000 1.282 229 Y HN 0.728 nan 8.280 nan 0.000 0.454 230 Y N 5.073 124.847 120.300 -0.877 0.000 2.441 230 Y HA 0.536 5.086 4.550 -0.000 0.000 0.334 230 Y C -2.010 173.430 175.900 -0.767 0.000 1.061 230 Y CA -0.695 57.052 58.100 -0.588 0.000 1.032 230 Y CB 1.537 39.857 38.460 -0.234 0.000 1.266 230 Y HN 0.732 nan 8.280 nan 0.000 0.441 231 D N 4.052 123.925 120.400 -0.878 0.000 2.764 231 D HA 0.508 5.148 4.640 -0.000 0.000 0.227 231 D C -1.011 175.049 176.300 -0.400 0.000 1.347 231 D CA 0.055 53.784 54.000 -0.451 0.000 0.953 231 D CB 1.926 42.584 40.800 -0.236 0.000 1.476 231 D HN 0.680 nan 8.370 nan 0.000 0.585 232 A N 2.605 125.298 122.820 -0.212 0.000 2.538 232 A HA 0.273 4.593 4.320 -0.000 0.000 0.269 232 A C 0.612 178.218 177.584 0.036 0.000 1.231 232 A CA -0.113 51.879 52.037 -0.075 0.000 0.948 232 A CB 0.063 19.102 19.000 0.063 0.000 1.110 232 A HN 0.410 nan 8.150 nan 0.000 0.529 233 T N 4.013 118.593 114.554 0.044 0.000 2.928 233 T HA 0.312 4.662 4.350 -0.000 0.000 0.305 233 T C -2.087 172.652 174.700 0.065 0.000 1.035 233 T CA -0.307 61.828 62.100 0.059 0.000 1.145 233 T CB 0.710 69.615 68.868 0.063 0.000 0.963 233 T HN 0.328 nan 8.240 nan 0.000 0.545 241 S N 3.144 118.658 115.700 -0.310 0.000 2.526 241 S HA 0.643 5.113 4.470 -0.000 0.000 0.293 241 S C -1.546 172.828 174.600 -0.378 0.000 1.092 241 S CA -0.551 57.536 58.200 -0.188 0.000 0.980 241 S CB 0.934 64.112 63.200 -0.037 0.000 1.048 241 S HN 0.503 nan 8.310 nan 0.000 0.483 242 H N 2.204 121.398 119.070 0.207 0.000 2.877 242 H HA 0.340 4.896 4.556 -0.000 0.000 0.347 242 H C -1.532 173.843 175.328 0.077 0.000 1.042 242 H CA -0.684 55.401 56.048 0.062 0.000 1.276 242 H CB 1.552 31.227 29.762 -0.145 0.000 1.681 242 H HN 0.539 nan 8.280 nan 0.000 0.521 243 D N 1.519 121.919 120.400 0.001 0.000 2.175 243 D HA 0.074 4.714 4.640 -0.000 0.000 0.248 243 D C -0.187 176.013 176.300 -0.168 0.000 1.047 243 D CA -0.305 53.691 54.000 -0.007 0.000 0.883 243 D CB 1.399 42.143 40.800 -0.093 0.000 1.180 243 D HN 0.409 nan 8.370 nan 0.000 0.438 244 Y N 1.806 122.044 120.300 -0.104 0.000 2.480 244 Y HA 0.300 4.850 4.550 -0.000 0.000 0.341 244 Y C -0.560 175.067 175.900 -0.456 0.000 1.031 244 Y CA 0.170 58.134 58.100 -0.227 0.000 1.295 244 Y CB 0.365 38.913 38.460 0.147 0.000 1.162 244 Y HN 0.029 nan 8.280 nan 0.000 0.523 245 V N 5.534 124.979 119.914 -0.781 0.000 2.735 245 V HA 0.458 4.578 4.120 -0.000 0.000 0.310 245 V C -0.806 174.754 176.094 -0.890 0.000 1.061 245 V CA -0.950 60.860 62.300 -0.817 0.000 0.913 245 V CB 1.720 32.937 31.823 -1.010 0.000 1.005 245 V HN 0.846 nan 8.190 nan 0.000 0.428 246 c N 2.358 120.626 118.600 -0.554 0.000 2.712 246 c HA 0.655 5.225 4.570 -0.000 0.000 0.308 246 c C -0.812 173.066 174.090 -0.353 0.000 1.201 246 c CA -0.933 55.107 56.329 -0.481 0.000 1.554 246 c CB 1.742 43.979 42.510 -0.454 0.000 2.117 246 c HN 0.861 nan 8.230 nan 0.000 0.480 247 D N 0.218 120.446 120.400 -0.288 0.000 2.340 247 D HA 0.384 5.024 4.640 -0.000 0.000 0.240 247 D C -1.435 174.557 176.300 -0.513 0.000 1.001 247 D CA -0.189 53.679 54.000 -0.220 0.000 0.888 247 D CB 1.614 42.403 40.800 -0.019 0.000 1.310 247 D HN 0.511 nan 8.370 nan 0.000 0.474 248 Y N 0.747 121.065 120.300 0.030 0.000 2.369 248 Y HA 0.337 4.887 4.550 -0.000 0.000 0.337 248 Y C 0.179 176.082 175.900 0.005 0.000 0.961 248 Y CA -0.637 57.492 58.100 0.048 0.000 1.186 248 Y CB 1.017 39.531 38.460 0.091 0.000 1.139 248 Y HN 0.016 nan 8.280 nan 0.000 0.494 249 L N 4.134 125.393 121.223 0.061 0.000 2.307 249 L HA 0.361 4.701 4.340 -0.000 0.000 0.282 249 L C -0.307 176.649 176.870 0.144 0.000 1.051 249 L CA -0.828 54.042 54.840 0.050 0.000 0.804 249 L CB 1.211 43.259 42.059 -0.018 0.000 1.197 249 L HN 0.545 nan 8.230 nan 0.000 0.431 250 F N 4.557 124.537 119.950 0.051 0.000 2.506 250 F HA 0.356 4.883 4.527 -0.000 0.000 0.371 250 F C -0.127 175.706 175.800 0.054 0.000 1.078 250 F CA 0.045 58.080 58.000 0.058 0.000 1.195 250 F CB 0.351 39.390 39.000 0.065 0.000 1.099 250 F HN 0.377 nan 8.300 nan 0.000 0.548 251 M N 5.885 125.348 119.600 -0.228 0.000 2.263 251 M HA 0.257 4.737 4.480 -0.000 0.000 0.295 251 M C -0.657 175.520 176.300 -0.206 0.000 1.028 251 M CA -0.647 54.508 55.300 -0.241 0.000 0.921 251 M CB 2.339 34.634 32.600 -0.509 0.000 1.601 251 M HN 0.534 nan 8.290 nan 0.000 0.440 252 E N 4.306 124.520 120.200 0.023 0.000 2.398 252 E HA 0.192 4.542 4.350 -0.000 0.000 0.263 252 E C -2.196 174.496 176.600 0.154 0.000 1.046 252 E CA -1.501 54.960 56.400 0.101 0.000 0.908 252 E CB 0.290 30.105 29.700 0.191 0.000 0.963 252 E HN 0.284 nan 8.360 nan 0.000 0.431 253 P HA 0.121 nan 4.420 nan 0.000 0.271 253 P C -0.065 177.286 177.300 0.086 0.000 1.218 253 P CA 0.095 63.285 63.100 0.151 0.000 0.780 253 P CB 1.120 32.928 31.700 0.179 0.000 0.901 254 G N 0.629 109.453 108.800 0.039 0.000 2.345 254 G HA2 0.229 4.189 3.960 -0.000 0.000 0.285 254 G HA3 0.229 4.189 3.960 -0.000 0.000 0.285 254 G C -1.549 173.239 174.900 -0.186 0.000 1.297 254 G CA -0.558 44.473 45.100 -0.115 0.000 0.875 254 G HN 0.496 nan 8.290 nan 0.000 0.506 255 T N 0.450 114.774 114.554 -0.383 0.000 2.824 255 T HA 0.725 5.075 4.350 -0.000 0.000 0.280 255 T C -1.330 172.968 174.700 -0.670 0.000 0.995 255 T CA 0.091 61.962 62.100 -0.382 0.000 1.009 255 T CB 1.031 69.747 68.868 -0.253 0.000 0.955 255 T HN 0.409 nan 8.240 nan 0.000 0.452 256 Y N 1.136 121.036 120.300 -0.666 0.000 2.553 256 Y HA 0.444 4.994 4.550 -0.000 0.000 0.347 256 Y C 0.096 175.728 175.900 -0.447 0.000 1.019 256 Y CA -1.374 56.334 58.100 -0.654 0.000 1.032 256 Y CB 1.656 39.452 38.460 -1.107 0.000 1.284 256 Y HN 0.447 nan 8.280 nan 0.000 0.466 257 N N 1.354 120.085 118.700 0.052 0.000 2.422 257 N HA 0.502 5.242 4.740 -0.000 0.000 0.266 257 N C -0.859 174.892 175.510 0.401 0.000 1.007 257 N CA -0.492 52.663 53.050 0.175 0.000 0.941 257 N CB 1.540 40.110 38.487 0.138 0.000 1.115 257 N HN 0.705 nan 8.380 nan 0.000 0.492 258 A N 1.768 124.873 122.820 0.474 0.000 2.415 258 A HA 0.441 4.761 4.320 -0.000 0.000 0.309 258 A C 0.102 177.876 177.584 0.317 0.000 1.356 258 A CA -0.254 52.080 52.037 0.495 0.000 0.998 258 A CB -0.082 19.148 19.000 0.384 0.000 1.145 258 A HN 0.480 nan 8.150 nan 0.000 0.545 259 S N 0.784 116.671 115.700 0.312 0.000 2.593 259 S HA 0.797 5.266 4.470 -0.000 0.000 0.297 259 S C 0.075 174.780 174.600 0.175 0.000 1.112 259 S CA -0.398 57.929 58.200 0.212 0.000 1.043 259 S CB 1.641 64.967 63.200 0.210 0.000 1.054 259 S HN 0.882 nan 8.310 nan 0.000 0.516 260 T N -0.156 114.470 114.554 0.120 0.000 2.923 260 T HA 0.337 4.687 4.350 -0.000 0.000 0.311 260 T C 0.665 175.408 174.700 0.073 0.000 1.183 260 T CA -0.578 61.569 62.100 0.078 0.000 1.020 260 T CB 1.113 69.991 68.868 0.016 0.000 1.165 260 T HN 0.498 nan 8.240 nan 0.000 0.482 261 V N 1.030 120.996 119.914 0.088 0.000 3.510 261 V HA 0.633 4.753 4.120 -0.000 0.000 0.270 261 V C 0.963 177.072 176.094 0.026 0.000 1.201 261 V CA 0.943 63.302 62.300 0.100 0.000 1.166 261 V CB -1.190 30.762 31.823 0.215 0.000 0.825 261 V HN 1.458 nan 8.190 nan 0.000 0.484 262 G N -0.498 108.277 108.800 -0.042 0.000 2.335 262 G HA2 0.355 4.314 3.960 -0.000 0.000 0.592 262 G HA3 0.355 4.314 3.960 -0.000 0.000 0.592 262 G C -0.261 174.461 174.900 -0.296 0.000 1.442 262 G CA 0.287 45.315 45.100 -0.120 0.000 0.976 262 G HN 0.709 nan 8.290 nan 0.000 0.652 263 K N -1.199 118.987 120.400 -0.357 0.000 10.392 263 K HA -0.264 4.056 4.320 -0.000 0.000 0.519 263 K C 0.375 176.599 176.600 -0.625 0.000 0.376 263 K CA 2.822 58.736 56.287 -0.621 0.000 1.951 263 K CB -1.969 29.871 32.500 -1.100 0.000 0.744 263 K HN 1.134 nan 8.250 nan 0.000 1.160 264 F N 1.325 121.085 119.950 -0.317 0.000 2.410 264 F HA 0.503 5.030 4.527 -0.000 0.000 0.348 264 F C 0.406 176.020 175.800 -0.311 0.000 1.106 264 F CA -0.891 56.843 58.000 -0.444 0.000 1.163 264 F CB 0.945 39.343 39.000 -1.005 0.000 1.129 264 F HN 0.128 nan 8.300 nan 0.000 0.516 265 L N 4.255 125.463 121.223 -0.023 0.000 2.362 265 L HA 0.728 5.068 4.340 -0.000 0.000 0.275 265 L C -1.145 175.753 176.870 0.047 0.000 0.998 265 L CA -0.606 54.258 54.840 0.041 0.000 0.820 265 L CB 1.878 44.002 42.059 0.107 0.000 1.270 265 L HN 0.395 nan 8.230 nan 0.000 0.415 266 V N 5.855 125.818 119.914 0.081 0.000 2.443 266 V HA 0.535 4.655 4.120 -0.000 0.000 0.293 266 V C -1.232 174.984 176.094 0.203 0.000 1.021 266 V CA -0.541 61.782 62.300 0.038 0.000 0.848 266 V CB 1.313 33.099 31.823 -0.063 0.000 0.998 266 V HN 0.695 nan 8.190 nan 0.000 0.424 267 Y N 4.755 125.040 120.300 -0.025 0.000 2.534 267 Y HA 0.881 5.431 4.550 -0.000 0.000 0.345 267 Y C -3.100 172.594 175.900 -0.345 0.000 1.031 267 Y CA -3.207 54.764 58.100 -0.215 0.000 1.022 267 Y CB 2.114 40.424 38.460 -0.251 0.000 1.292 267 Y HN 0.415 nan 8.280 nan 0.000 0.459 268 P HA 0.184 nan 4.420 nan 0.000 0.278 268 P C 0.146 177.266 177.300 -0.301 0.000 1.238 268 P CA -0.173 62.660 63.100 -0.446 0.000 0.794 268 P CB 1.877 33.218 31.700 -0.599 0.000 0.955 269 T N -1.671 112.739 114.554 -0.240 0.000 3.004 269 T HA 0.293 4.642 4.350 -0.000 0.000 0.266 269 T C 0.367 174.983 174.700 -0.140 0.000 0.986 269 T CA -0.042 61.970 62.100 -0.147 0.000 0.902 269 T CB 0.176 68.951 68.868 -0.156 0.000 1.118 269 T HN 0.340 nan 8.240 nan 0.000 0.522 270 K N 1.106 121.400 120.400 -0.177 0.000 2.533 270 K HA 0.724 5.044 4.320 -0.000 0.000 0.272 270 K C -1.345 175.145 176.600 -0.183 0.000 0.985 270 K CA -0.822 55.358 56.287 -0.178 0.000 0.876 270 K CB 2.412 34.787 32.500 -0.209 0.000 1.452 270 K HN 0.234 nan 8.250 nan 0.000 0.439 271 S N -0.163 115.433 115.700 -0.174 0.000 2.567 271 S HA 0.381 4.851 4.470 -0.000 0.000 0.270 271 S C -1.733 172.775 174.600 -0.154 0.000 1.152 271 S CA -0.924 57.218 58.200 -0.096 0.000 0.835 271 S CB 0.409 63.643 63.200 0.057 0.000 1.115 271 S HN 0.516 nan 8.310 nan 0.000 0.459 272 Y N 1.211 121.545 120.300 0.056 0.000 2.556 272 Y HA 0.391 4.941 4.550 -0.000 0.000 0.352 272 Y C 1.142 177.015 175.900 -0.044 0.000 1.006 272 Y CA -0.417 57.701 58.100 0.030 0.000 1.277 272 Y CB 0.551 39.025 38.460 0.023 0.000 1.136 272 Y HN 0.924 nan 8.280 nan 0.000 0.523 273 c N 7.052 125.673 118.600 0.035 0.000 2.632 273 c HA 0.591 5.161 4.570 -0.000 0.000 0.415 273 c C -0.234 173.802 174.090 -0.089 0.000 1.332 273 c CA -0.611 55.585 56.329 -0.221 0.000 1.874 273 c CB -1.512 40.928 42.510 -0.117 0.000 2.596 273 c HN 0.862 nan 8.230 nan 0.000 0.590 274 M N 5.426 124.913 119.600 -0.188 0.000 2.550 274 M HA 0.409 4.889 4.480 -0.000 0.000 0.292 274 M C -0.763 175.495 176.300 -0.070 0.000 1.221 274 M CA -0.503 54.764 55.300 -0.056 0.000 0.873 274 M CB 2.168 34.749 32.600 -0.031 0.000 1.727 274 M HN 0.813 nan 8.290 nan 0.000 0.459 275 D N 0.201 120.603 120.400 0.004 0.000 2.539 275 D HA 0.566 5.206 4.640 -0.000 0.000 0.280 275 D C -0.804 175.515 176.300 0.032 0.000 1.208 275 D CA -0.393 53.615 54.000 0.014 0.000 1.088 275 D CB 0.645 41.467 40.800 0.038 0.000 1.149 275 D HN 0.450 nan 8.370 nan 0.000 0.596 276 T N -0.268 114.310 114.554 0.041 0.000 2.848 276 T HA 0.524 4.874 4.350 -0.000 0.000 0.285 276 T C -0.220 174.506 174.700 0.045 0.000 0.995 276 T CA -0.772 61.359 62.100 0.052 0.000 0.970 276 T CB 0.933 69.837 68.868 0.060 0.000 0.976 276 T HN 0.493 nan 8.240 nan 0.000 0.441 277 M N 1.706 121.331 119.600 0.042 0.000 2.598 277 M HA 0.645 5.124 4.480 -0.000 0.000 0.317 277 M C 0.200 176.518 176.300 0.030 0.000 1.201 277 M CA -0.785 54.534 55.300 0.031 0.000 0.971 277 M CB 1.093 33.706 32.600 0.020 0.000 1.657 277 M HN 0.081 nan 8.290 nan 0.000 0.470 278 N N 1.267 119.982 118.700 0.025 0.000 2.521 278 N HA 0.233 4.972 4.740 -0.000 0.000 0.188 278 N C -0.225 175.296 175.510 0.018 0.000 1.146 278 N CA 0.483 53.548 53.050 0.024 0.000 0.893 278 N CB -0.565 37.937 38.487 0.024 0.000 0.975 278 N HN 0.706 nan 8.380 nan 0.000 0.451 279 I N -4.194 116.382 120.570 0.010 0.000 3.002 279 I HA 0.501 4.671 4.170 -0.000 0.000 0.310 279 I C -0.589 175.524 176.117 -0.006 0.000 1.087 279 I CA -0.911 60.389 61.300 0.001 0.000 1.017 279 I CB 2.177 40.170 38.000 -0.011 0.000 1.226 279 I HN -0.390 nan 8.210 nan 0.000 0.443 280 T N 3.062 117.609 114.554 -0.011 0.000 2.772 280 T HA 0.586 4.935 4.350 -0.000 0.000 0.288 280 T C -0.561 174.106 174.700 -0.055 0.000 0.994 280 T CA -0.395 61.699 62.100 -0.010 0.000 0.951 280 T CB 1.285 70.162 68.868 0.015 0.000 0.933 280 T HN 0.400 nan 8.240 nan 0.000 0.447 281 V N 6.697 126.557 119.914 -0.091 0.000 2.483 281 V HA 0.390 4.510 4.120 -0.000 0.000 0.297 281 V C -2.347 173.666 176.094 -0.134 0.000 1.027 281 V CA -2.366 59.787 62.300 -0.244 0.000 0.855 281 V CB 1.733 33.331 31.823 -0.376 0.000 0.995 281 V HN 0.632 nan 8.190 nan 0.000 0.424 282 P HA 0.112 nan 4.420 nan 0.000 0.266 282 P C -0.132 177.228 177.300 0.101 0.000 1.195 282 P CA 0.180 63.319 63.100 0.064 0.000 0.768 282 P CB 0.520 32.298 31.700 0.130 0.000 0.838 283 V N 0.958 120.956 119.914 0.141 0.000 3.214 283 V HA 0.347 4.467 4.120 -0.000 0.000 0.306 283 V C -0.088 176.098 176.094 0.155 0.000 1.078 283 V CA -0.410 62.017 62.300 0.213 0.000 1.077 283 V CB 0.256 32.279 31.823 0.333 0.000 1.121 283 V HN 0.411 nan 8.190 nan 0.000 0.468 284 Q N 1.091 121.040 119.800 0.248 0.000 2.337 284 Q HA 0.789 5.129 4.340 -0.000 0.000 0.266 284 Q C -0.679 175.478 176.000 0.263 0.000 1.023 284 Q CA -0.561 55.367 55.803 0.209 0.000 0.829 284 Q CB 2.135 31.075 28.738 0.336 0.000 1.306 284 Q HN 1.182 nan 8.270 nan 0.000 0.449 285 A N 1.884 124.792 122.820 0.147 0.000 2.393 285 A HA 0.696 5.016 4.320 -0.000 0.000 0.306 285 A C -1.060 176.710 177.584 0.310 0.000 1.050 285 A CA -0.568 51.617 52.037 0.247 0.000 0.724 285 A CB 1.446 20.450 19.000 0.006 0.000 1.248 285 A HN 0.465 nan 8.150 nan 0.000 0.424 286 V N 2.601 122.731 119.914 0.360 0.000 2.398 286 V HA 0.324 4.444 4.120 -0.000 0.000 0.286 286 V C 0.339 176.647 176.094 0.355 0.000 1.026 286 V CA -0.678 61.764 62.300 0.237 0.000 0.868 286 V CB 1.424 33.291 31.823 0.074 0.000 0.982 286 V HN 1.036 nan 8.190 nan 0.000 0.443 287 Q N 3.226 123.144 119.800 0.196 0.000 2.368 287 Q HA -0.036 4.304 4.340 -0.000 0.000 0.331 287 Q C 0.009 176.226 176.000 0.361 0.000 1.086 287 Q CA 0.969 56.974 55.803 0.336 0.000 1.031 287 Q CB 0.505 29.367 28.738 0.208 0.000 1.125 287 Q HN 0.885 nan 8.270 nan 0.000 0.389 288 S N 5.860 121.704 115.700 0.239 0.000 2.718 288 S HA 0.689 5.159 4.470 -0.000 0.000 0.294 288 S C -0.729 173.818 174.600 -0.089 0.000 1.157 288 S CA -0.757 57.478 58.200 0.058 0.000 1.121 288 S CB -0.507 62.652 63.200 -0.068 0.000 1.015 288 S HN 0.589 nan 8.310 nan 0.000 0.479 289 I N 0.652 121.155 120.570 -0.113 0.000 3.191 289 I HA 0.754 4.924 4.170 -0.000 0.000 0.313 289 I C -1.189 174.715 176.117 -0.355 0.000 1.193 289 I CA -1.623 59.566 61.300 -0.184 0.000 0.968 289 I CB 1.343 39.379 38.000 0.061 0.000 1.262 289 I HN 0.538 nan 8.210 nan 0.000 0.456 290 W N 1.650 122.904 121.300 -0.075 0.000 2.253 290 W HA 0.541 5.201 4.660 -0.000 0.000 0.348 290 W C 0.885 177.400 176.519 -0.007 0.000 1.229 290 W CA -0.464 56.792 57.345 -0.148 0.000 1.335 290 W CB 1.054 30.495 29.460 -0.032 0.000 1.165 290 W HN 0.650 nan 8.180 nan 0.000 0.631 291 S N -0.095 115.804 115.700 0.332 0.000 2.572 291 S HA -0.067 4.403 4.470 -0.000 0.000 0.267 291 S C 0.731 175.507 174.600 0.294 0.000 1.361 291 S CA -0.214 58.185 58.200 0.331 0.000 1.009 291 S CB 0.590 63.982 63.200 0.319 0.000 0.888 291 S HN 0.653 nan 8.310 nan 0.000 0.553 292 E N 0.991 121.303 120.200 0.187 0.000 2.267 292 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 292 E C 2.250 178.863 176.600 0.023 0.000 0.998 292 E CA 1.236 57.703 56.400 0.111 0.000 0.830 292 E CB -0.171 29.575 29.700 0.076 0.000 0.751 292 E HN 0.780 nan 8.360 nan 0.000 0.491 293 Q N 0.007 119.757 119.800 -0.084 0.000 2.369 293 Q HA -0.107 4.233 4.340 -0.000 0.000 0.206 293 Q C 0.012 175.705 176.000 -0.512 0.000 0.963 293 Q CA 0.871 56.465 55.803 -0.348 0.000 0.894 293 Q CB -0.101 28.313 28.738 -0.540 0.000 0.965 293 Q HN 0.316 nan 8.270 nan 0.000 0.475 294 Y N 0.476 120.761 120.300 -0.026 0.000 2.528 294 Y HA 0.609 5.159 4.550 -0.000 0.000 0.335 294 Y C 0.143 176.073 175.900 0.049 0.000 1.093 294 Y CA -1.225 56.823 58.100 -0.088 0.000 1.134 294 Y CB 1.239 39.490 38.460 -0.348 0.000 1.253 294 Y HN 0.020 nan 8.280 nan 0.000 0.478 295 A N 1.703 124.641 122.820 0.197 0.000 2.354 295 A HA 0.584 4.903 4.320 -0.000 0.000 0.281 295 A C -0.161 177.606 177.584 0.306 0.000 1.174 295 A CA -0.221 51.929 52.037 0.189 0.000 0.828 295 A CB -0.040 19.030 19.000 0.117 0.000 1.099 295 A HN 0.691 nan 8.150 nan 0.000 0.516 296 S N 0.549 116.405 115.700 0.259 0.000 2.768 296 S HA 0.691 5.161 4.470 -0.000 0.000 0.300 296 S C -0.500 174.195 174.600 0.158 0.000 1.122 296 S CA -0.311 58.026 58.200 0.228 0.000 0.995 296 S CB 1.250 64.558 63.200 0.179 0.000 1.195 296 S HN 0.922 nan 8.310 nan 0.000 0.547 297 D N -1.354 119.119 120.400 0.122 0.000 2.559 297 D HA 0.429 5.069 4.640 -0.000 0.000 0.250 297 D C -1.251 175.095 176.300 0.076 0.000 1.135 297 D CA -0.556 53.507 54.000 0.105 0.000 0.955 297 D CB 0.662 41.537 40.800 0.125 0.000 1.442 297 D HN 0.253 nan 8.370 nan 0.000 0.471 298 D N -1.012 119.422 120.400 0.056 0.000 2.738 298 D HA 0.381 5.021 4.640 -0.000 0.000 0.246 298 D C 1.108 177.387 176.300 -0.036 0.000 1.270 298 D CA -0.201 53.812 54.000 0.022 0.000 0.833 298 D CB 0.179 40.993 40.800 0.024 0.000 1.040 298 D HN 0.469 nan 8.370 nan 0.000 0.487 299 A N 0.260 123.067 122.820 -0.023 0.000 1.930 299 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 299 A C 1.940 179.451 177.584 -0.120 0.000 1.175 299 A CA 0.754 52.763 52.037 -0.048 0.000 0.627 299 A CB -0.259 18.734 19.000 -0.011 0.000 0.815 299 A HN 0.356 nan 8.150 nan 0.000 0.443 300 I N -0.103 120.368 120.570 -0.165 0.000 2.233 300 I HA -0.125 4.045 4.170 -0.000 0.000 0.243 300 I C 2.707 178.578 176.117 -0.410 0.000 1.093 300 I CA 1.418 62.606 61.300 -0.187 0.000 1.380 300 I CB -2.022 35.940 38.000 -0.063 0.000 1.067 300 I HN 0.328 nan 8.210 nan 0.000 0.413 301 G N 0.545 108.937 108.800 -0.680 0.000 2.440 301 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 301 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 301 G C 1.516 176.033 174.900 -0.638 0.000 1.154 301 G CA 0.379 44.682 45.100 -1.328 0.000 0.767 301 G HN 0.338 nan 8.290 nan 0.000 0.552 302 Q N 0.261 119.876 119.800 -0.309 0.000 2.172 302 Q HA 0.134 4.474 4.340 -0.000 0.000 0.200 302 Q C 2.836 178.781 176.000 -0.091 0.000 0.964 302 Q CA 1.180 56.888 55.803 -0.158 0.000 0.855 302 Q CB -0.402 28.289 28.738 -0.079 0.000 0.918 302 Q HN 0.477 nan 8.270 nan 0.000 0.444 303 A N -0.073 122.712 122.820 -0.059 0.000 1.930 303 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 303 A C 1.344 179.072 177.584 0.239 0.000 1.176 303 A CA 0.436 52.532 52.037 0.099 0.000 0.632 303 A CB -0.303 18.742 19.000 0.075 0.000 0.819 303 A HN 0.391 nan 8.150 nan 0.000 0.445 304 c N 2.297 120.905 118.600 0.013 0.000 2.218 304 c HA 0.536 5.106 4.570 -0.000 0.000 0.353 304 c C 0.135 174.053 174.090 -0.285 0.000 1.070 304 c CA -0.738 55.505 56.329 -0.145 0.000 1.497 304 c CB -2.328 40.026 42.510 -0.259 0.000 1.951 304 c HN 0.401 nan 8.230 nan 0.000 0.493 305 K N 3.583 123.698 120.400 -0.475 0.000 2.395 305 K HA 0.705 5.025 4.320 -0.000 0.000 0.247 305 K C -0.168 176.004 176.600 -0.712 0.000 0.973 305 K CA -0.530 55.468 56.287 -0.482 0.000 0.828 305 K CB 1.794 34.114 32.500 -0.300 0.000 1.272 305 K HN 0.589 nan 8.250 nan 0.000 0.439 306 A N 2.163 124.762 122.820 -0.368 0.000 2.520 306 A HA 0.145 4.465 4.320 -0.000 0.000 0.235 306 A C -1.573 175.863 177.584 -0.245 0.000 1.065 306 A CA -0.523 51.358 52.037 -0.259 0.000 0.764 306 A CB -0.335 18.599 19.000 -0.110 0.000 1.002 306 A HN 0.587 nan 8.150 nan 0.000 0.502 307 P HA 0.085 nan 4.420 nan 0.000 0.267 307 P C 0.198 177.503 177.300 0.007 0.000 1.289 307 P CA 0.626 63.711 63.100 -0.026 0.000 0.866 307 P CB -0.061 31.674 31.700 0.059 0.000 1.309 308 Y N -2.179 118.132 120.300 0.019 0.000 2.478 308 Y HA 0.482 5.032 4.550 -0.000 0.000 0.261 308 Y C 0.652 176.555 175.900 0.004 0.000 1.127 308 Y CA -1.074 57.038 58.100 0.020 0.000 1.288 308 Y CB -0.654 37.822 38.460 0.028 0.000 1.084 308 Y HN -0.104 nan 8.280 nan 0.000 0.530 309 c N 1.635 120.080 118.600 -0.258 0.000 2.782 309 c HA 0.637 5.207 4.570 -0.000 0.000 0.328 309 c C -0.790 173.169 174.090 -0.218 0.000 1.145 309 c CA -1.293 54.905 56.329 -0.217 0.000 1.358 309 c CB 0.434 42.750 42.510 -0.324 0.000 1.841 309 c HN 0.343 nan 8.230 nan 0.000 0.477 310 I N 5.348 125.819 120.570 -0.166 0.000 2.312 310 I HA 0.316 4.486 4.170 -0.000 0.000 0.290 310 I C -0.592 175.302 176.117 -0.372 0.000 1.008 310 I CA -0.216 60.930 61.300 -0.257 0.000 1.226 310 I CB 0.850 38.691 38.000 -0.264 0.000 1.371 310 I HN 0.511 nan 8.210 nan 0.000 0.468 311 F N 8.087 127.751 119.950 -0.476 0.000 2.405 311 F HA 0.416 4.943 4.527 -0.000 0.000 0.355 311 F C -0.957 174.610 175.800 -0.388 0.000 1.121 311 F CA -0.902 56.883 58.000 -0.358 0.000 1.112 311 F CB 0.452 39.337 39.000 -0.193 0.000 1.126 311 F HN 0.218 nan 8.300 nan 0.000 0.481 312 Y N 5.183 125.155 120.300 -0.548 0.000 2.504 312 Y HA 0.273 4.823 4.550 -0.000 0.000 0.339 312 Y C 0.512 175.898 175.900 -0.857 0.000 0.974 312 Y CA -0.872 56.902 58.100 -0.544 0.000 1.232 312 Y CB 0.044 38.218 38.460 -0.476 0.000 1.108 312 Y HN 0.517 nan 8.280 nan 0.000 0.509 313 N N 2.627 120.890 118.700 -0.728 0.000 2.424 313 N HA 0.177 4.917 4.740 -0.000 0.000 0.257 313 N C -0.597 174.874 175.510 -0.065 0.000 1.250 313 N CA -0.378 52.365 53.050 -0.512 0.000 0.946 313 N CB 0.747 39.118 38.487 -0.194 0.000 1.175 313 N HN 0.488 nan 8.380 nan 0.000 0.477 314 K N -0.198 120.207 120.400 0.007 0.000 2.172 314 K HA 0.171 4.490 4.320 -0.000 0.000 0.276 314 K C 0.674 177.295 176.600 0.034 0.000 1.013 314 K CA -0.257 56.060 56.287 0.050 0.000 0.913 314 K CB 0.870 33.417 32.500 0.079 0.000 1.055 314 K HN 0.662 nan 8.250 nan 0.000 0.461 315 T N -2.534 112.022 114.554 0.003 0.000 3.040 315 T HA -0.005 4.345 4.350 -0.000 0.000 0.250 315 T C 0.770 175.467 174.700 -0.004 0.000 1.058 315 T CA -0.135 61.953 62.100 -0.021 0.000 0.988 315 T CB -0.026 68.795 68.868 -0.080 0.000 0.993 315 T HN 0.625 nan 8.240 nan 0.000 0.519 316 T N -0.125 114.435 114.554 0.009 0.000 2.924 316 T HA 0.711 5.061 4.350 -0.000 0.000 0.291 316 T C -3.218 171.512 174.700 0.051 0.000 1.045 316 T CA -2.219 59.891 62.100 0.017 0.000 1.015 316 T CB 1.792 70.658 68.868 -0.004 0.000 1.103 316 T HN -0.157 nan 8.240 nan 0.000 0.496 317 P HA 0.141 nan 4.420 nan 0.000 0.271 317 P C -1.026 176.360 177.300 0.143 0.000 1.244 317 P CA -0.505 62.666 63.100 0.118 0.000 0.793 317 P CB 0.076 31.842 31.700 0.111 0.000 0.984 318 Y N 0.850 121.205 120.300 0.091 0.000 2.674 318 Y HA 0.117 4.667 4.550 -0.000 0.000 0.354 318 Y C -0.208 175.746 175.900 0.090 0.000 1.089 318 Y CA 0.732 58.889 58.100 0.095 0.000 1.444 318 Y CB -0.480 38.049 38.460 0.116 0.000 1.187 318 Y HN 0.144 nan 8.280 nan 0.000 0.523 319 T N 5.747 120.294 114.554 -0.012 0.000 2.786 319 T HA 0.459 4.809 4.350 -0.000 0.000 0.283 319 T C -0.868 173.826 174.700 -0.011 0.000 0.992 319 T CA -0.686 61.437 62.100 0.039 0.000 0.954 319 T CB 1.134 70.011 68.868 0.015 0.000 0.934 319 T HN 0.269 nan 8.240 nan 0.000 0.440 320 V N 3.926 123.891 119.914 0.085 0.000 2.378 320 V HA 0.413 4.533 4.120 -0.000 0.000 0.288 320 V C 1.213 177.349 176.094 0.071 0.000 1.016 320 V CA -0.502 61.850 62.300 0.087 0.000 0.840 320 V CB 1.378 33.315 31.823 0.189 0.000 0.994 320 V HN 1.146 nan 8.190 nan 0.000 0.431 321 T N 0.491 115.071 114.554 0.044 0.000 3.026 321 T HA 0.149 4.499 4.350 -0.000 0.000 0.245 321 T C 0.722 175.445 174.700 0.038 0.000 1.004 321 T CA 0.148 62.270 62.100 0.037 0.000 1.069 321 T CB 0.072 68.953 68.868 0.021 0.000 1.005 321 T HN 0.401 nan 8.240 nan 0.000 0.472 322 N N 1.539 120.261 118.700 0.037 0.000 2.904 322 N HA 0.578 5.318 4.740 -0.000 0.000 0.257 322 N C -0.381 175.161 175.510 0.054 0.000 1.363 322 N CA -0.268 52.806 53.050 0.039 0.000 0.856 322 N CB 0.896 39.399 38.487 0.026 0.000 1.166 322 N HN 0.632 nan 8.380 nan 0.000 0.499 323 G N -0.937 107.907 108.800 0.074 0.000 2.921 323 G HA2 0.308 4.268 3.960 -0.000 0.000 0.291 323 G HA3 0.308 4.268 3.960 -0.000 0.000 0.291 323 G C 0.424 175.381 174.900 0.096 0.000 1.370 323 G CA -0.275 44.886 45.100 0.103 0.000 0.847 323 G HN 0.245 nan 8.290 nan 0.000 0.532 324 S N -1.383 114.386 115.700 0.114 0.000 2.458 324 S HA 0.220 4.690 4.470 -0.000 0.000 0.223 324 S C 0.565 175.222 174.600 0.094 0.000 1.019 324 S CA 1.470 59.712 58.200 0.069 0.000 0.937 324 S CB -0.191 63.010 63.200 0.002 0.000 0.788 324 S HN 0.874 nan 8.310 nan 0.000 0.511 325 D N -0.698 119.805 120.400 0.172 0.000 2.946 325 D HA 0.590 5.230 4.640 -0.000 0.000 0.337 325 D C 0.676 177.100 176.300 0.208 0.000 1.332 325 D CA -0.178 53.924 54.000 0.170 0.000 0.935 325 D CB 0.479 41.378 40.800 0.166 0.000 1.440 325 D HN 0.025 nan 8.370 nan 0.000 0.540 326 A N -0.858 122.075 122.820 0.188 0.000 2.121 326 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 326 A C 1.017 178.746 177.584 0.242 0.000 1.154 326 A CA 1.000 53.164 52.037 0.212 0.000 0.679 326 A CB -0.704 18.418 19.000 0.203 0.000 0.795 326 A HN 0.458 nan 8.150 nan 0.000 0.458 327 N N -0.540 118.252 118.700 0.153 0.000 2.238 327 N HA 0.144 4.884 4.740 -0.000 0.000 0.235 327 N C -1.217 174.070 175.510 -0.373 0.000 1.209 327 N CA 0.095 53.049 53.050 -0.160 0.000 0.879 327 N CB 0.371 38.778 38.487 -0.133 0.000 1.136 327 N HN 0.573 nan 8.380 nan 0.000 0.517 328 H N -0.968 118.271 119.070 0.282 0.000 2.934 328 H HA 0.483 5.039 4.556 -0.000 0.000 0.340 328 H C 0.331 175.843 175.328 0.306 0.000 1.008 328 H CA -0.209 56.018 56.048 0.298 0.000 1.317 328 H CB 1.662 31.515 29.762 0.152 0.000 1.670 328 H HN 0.130 nan 8.280 nan 0.000 0.516 329 G N 2.935 111.965 108.800 0.384 0.000 2.427 329 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.193 329 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.193 329 G C -0.648 174.250 174.900 -0.004 0.000 1.086 329 G CA -0.438 44.763 45.100 0.169 0.000 0.818 329 G HN 0.719 nan 8.290 nan 0.000 0.490 330 D N 0.102 120.340 120.400 -0.271 0.000 2.383 330 D HA 0.367 5.007 4.640 -0.000 0.000 0.252 330 D C 1.408 177.549 176.300 -0.265 0.000 1.166 330 D CA -0.053 53.593 54.000 -0.589 0.000 0.879 330 D CB 0.651 40.676 40.800 -1.291 0.000 1.164 330 D HN 0.094 nan 8.370 nan 0.000 0.462 331 D N 3.010 123.303 120.400 -0.178 0.000 2.104 331 D HA -0.212 4.428 4.640 -0.000 0.000 0.194 331 D C 1.453 177.691 176.300 -0.104 0.000 0.994 331 D CA 1.020 54.959 54.000 -0.101 0.000 0.830 331 D CB -0.019 40.742 40.800 -0.064 0.000 0.959 331 D HN 0.764 nan 8.370 nan 0.000 0.452 332 E N 0.578 120.705 120.200 -0.121 0.000 2.077 332 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 332 E C 2.092 178.624 176.600 -0.113 0.000 0.989 332 E CA 0.857 57.201 56.400 -0.093 0.000 0.800 332 E CB 0.171 29.828 29.700 -0.072 0.000 0.746 332 E HN 0.023 nan 8.360 nan 0.000 0.452 333 V N 0.887 120.705 119.914 -0.160 0.000 2.488 333 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 333 V C 2.438 178.425 176.094 -0.179 0.000 1.046 333 V CA 1.605 63.784 62.300 -0.202 0.000 1.053 333 V CB -0.488 31.192 31.823 -0.239 0.000 0.679 333 V HN 0.229 nan 8.190 nan 0.000 0.458 334 R N -0.707 119.717 120.500 -0.126 0.000 2.103 334 R HA -0.244 4.096 4.340 -0.000 0.000 0.242 334 R C 2.255 178.524 176.300 -0.051 0.000 1.142 334 R CA 2.159 58.213 56.100 -0.077 0.000 0.960 334 R CB -0.390 29.881 30.300 -0.048 0.000 0.858 334 R HN 0.416 nan 8.270 nan 0.000 0.439 335 M N 0.166 119.739 119.600 -0.046 0.000 2.099 335 M HA -0.105 4.375 4.480 -0.000 0.000 0.262 335 M C 1.981 178.294 176.300 0.021 0.000 1.067 335 M CA 1.736 57.041 55.300 0.008 0.000 1.124 335 M CB -0.054 32.534 32.600 -0.021 0.000 1.353 335 M HN 0.047 nan 8.290 nan 0.000 0.410 336 M N -0.699 118.838 119.600 -0.105 0.000 2.082 336 M HA -0.265 4.215 4.480 -0.000 0.000 0.258 336 M C 1.889 178.103 176.300 -0.143 0.000 1.069 336 M CA 1.553 56.726 55.300 -0.212 0.000 1.102 336 M CB -0.500 31.887 32.600 -0.355 0.000 1.336 336 M HN 0.277 nan 8.290 nan 0.000 0.404 337 M N -0.107 119.407 119.600 -0.143 0.000 2.446 337 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 337 M C 1.948 178.218 176.300 -0.050 0.000 1.066 337 M CA 1.279 56.513 55.300 -0.109 0.000 1.087 337 M CB -1.184 31.354 32.600 -0.104 0.000 1.406 337 M HN 0.305 nan 8.290 nan 0.000 0.459 338 Q N -0.222 119.573 119.800 -0.007 0.000 2.234 338 Q HA -0.093 4.247 4.340 -0.000 0.000 0.206 338 Q C 2.168 178.067 176.000 -0.169 0.000 0.980 338 Q CA 1.660 57.433 55.803 -0.051 0.000 0.869 338 Q CB -0.903 27.824 28.738 -0.017 0.000 0.912 338 Q HN 0.641 nan 8.270 nan 0.000 0.436 339 G N 1.101 109.845 108.800 -0.093 0.000 2.503 339 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.221 339 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.221 339 G C 1.419 176.174 174.900 -0.242 0.000 1.131 339 G CA 0.602 45.589 45.100 -0.189 0.000 0.756 339 G HN 0.327 nan 8.290 nan 0.000 0.572 340 L N -0.014 121.097 121.223 -0.187 0.000 2.551 340 L HA 0.174 4.514 4.340 -0.000 0.000 0.228 340 L C 2.285 179.139 176.870 -0.026 0.000 1.153 340 L CA -0.009 54.721 54.840 -0.184 0.000 0.851 340 L CB -0.048 41.900 42.059 -0.184 0.000 0.959 340 L HN 0.196 nan 8.230 nan 0.000 0.451 341 L N -0.635 120.554 121.223 -0.056 0.000 2.554 341 L HA 0.018 4.358 4.340 -0.000 0.000 0.226 341 L C 0.664 177.512 176.870 -0.036 0.000 1.137 341 L CA 0.224 55.068 54.840 0.007 0.000 0.863 341 L CB -0.166 41.872 42.059 -0.034 0.000 0.985 341 L HN 0.199 nan 8.230 nan 0.000 0.451 342 R N 0.206 120.601 120.500 -0.175 0.000 2.532 342 R HA 0.261 4.601 4.340 -0.000 0.000 0.295 342 R C -0.271 175.800 176.300 -0.381 0.000 0.968 342 R CA -0.580 55.380 56.100 -0.232 0.000 0.916 342 R CB 0.735 30.868 30.300 -0.278 0.000 1.124 342 R HN -0.036 nan 8.270 nan 0.000 0.463 343 N N 1.656 120.219 118.700 -0.229 0.000 2.508 343 N HA 0.083 4.823 4.740 -0.000 0.000 0.253 343 N C -0.726 174.654 175.510 -0.217 0.000 1.145 343 N CA 0.203 53.117 53.050 -0.226 0.000 0.973 343 N CB 1.038 39.506 38.487 -0.031 0.000 1.305 343 N HN 0.468 nan 8.380 nan 0.000 0.506 344 S N 0.185 115.701 115.700 -0.307 0.000 2.669 344 S HA 0.284 4.754 4.470 -0.000 0.000 0.270 344 S C 1.172 175.691 174.600 -0.136 0.000 1.225 344 S CA -0.583 57.490 58.200 -0.211 0.000 0.991 344 S CB 1.501 64.551 63.200 -0.251 0.000 0.987 344 S HN 0.421 nan 8.310 nan 0.000 0.552 345 S N -0.442 115.196 115.700 -0.105 0.000 2.520 345 S HA 0.200 4.670 4.470 -0.000 0.000 0.219 345 S C 0.154 174.703 174.600 -0.086 0.000 1.028 345 S CA -0.281 57.879 58.200 -0.068 0.000 0.921 345 S CB 0.315 63.488 63.200 -0.045 0.000 0.844 345 S HN 0.755 nan 8.310 nan 0.000 0.495 346 c N 2.854 121.379 118.600 -0.126 0.000 2.481 346 c HA 0.706 5.276 4.570 -0.000 0.000 0.324 346 c C -1.681 172.272 174.090 -0.229 0.000 1.170 346 c CA -0.905 55.328 56.329 -0.159 0.000 1.361 346 c CB -0.201 42.256 42.510 -0.090 0.000 1.977 346 c HN 0.271 nan 8.230 nan 0.000 0.459 347 I N 5.873 126.200 120.570 -0.406 0.000 2.433 347 I HA 0.715 4.885 4.170 -0.000 0.000 0.292 347 I C 0.355 176.310 176.117 -0.269 0.000 1.001 347 I CA 0.287 61.339 61.300 -0.414 0.000 1.119 347 I CB 1.474 38.998 38.000 -0.793 0.000 1.289 347 I HN 0.958 nan 8.210 nan 0.000 0.438 348 S N 5.814 121.476 115.700 -0.063 0.000 2.615 348 S HA 0.581 5.051 4.470 -0.000 0.000 0.269 348 S C -2.695 171.963 174.600 0.097 0.000 1.161 348 S CA -0.991 57.214 58.200 0.008 0.000 0.817 348 S CB 1.971 65.184 63.200 0.022 0.000 1.131 348 S HN 0.272 nan 8.310 nan 0.000 0.467 349 P HA -0.011 nan 4.420 nan 0.000 0.221 349 P C 0.808 178.269 177.300 0.269 0.000 1.145 349 P CA 1.185 64.297 63.100 0.020 0.000 0.795 349 P CB -0.021 31.679 31.700 0.001 0.000 0.775 350 Q N -1.057 118.889 119.800 0.243 0.000 2.451 350 Q HA 0.301 4.641 4.340 -0.000 0.000 0.206 350 Q C 1.212 177.384 176.000 0.286 0.000 0.947 350 Q CA 0.751 56.712 55.803 0.263 0.000 0.937 350 Q CB -0.347 28.488 28.738 0.161 0.000 1.025 350 Q HN 0.218 nan 8.270 nan 0.000 0.511 351 G N -0.398 108.551 108.800 0.248 0.000 2.447 351 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.220 351 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.220 351 G C -0.655 174.261 174.900 0.028 0.000 1.261 351 G CA -0.480 44.660 45.100 0.066 0.000 1.000 351 G HN 0.431 nan 8.290 nan 0.000 0.515 352 S N -1.152 114.539 115.700 -0.014 0.000 2.651 352 S HA 0.904 5.374 4.470 -0.000 0.000 0.291 352 S C 0.154 174.738 174.600 -0.025 0.000 1.141 352 S CA 0.749 58.913 58.200 -0.060 0.000 1.027 352 S CB 1.935 65.058 63.200 -0.128 0.000 1.043 352 S HN 2.351 nan 8.310 nan 0.000 0.530 353 T N -1.482 113.038 114.554 -0.057 0.000 2.896 353 T HA 0.765 5.115 4.350 -0.000 0.000 0.297 353 T C -3.204 171.456 174.700 -0.066 0.000 1.108 353 T CA -1.968 60.109 62.100 -0.038 0.000 1.004 353 T CB 1.556 70.415 68.868 -0.014 0.000 1.159 353 T HN 0.493 nan 8.240 nan 0.000 0.499 354 P HA 0.351 nan 4.420 nan 0.000 0.289 354 P C -0.433 176.839 177.300 -0.047 0.000 1.299 354 P CA -0.819 62.246 63.100 -0.059 0.000 0.766 354 P CB 0.391 32.060 31.700 -0.051 0.000 1.226 355 L N -0.052 121.144 121.223 -0.045 0.000 2.477 355 L HA 0.442 4.782 4.340 -0.000 0.000 0.272 355 L C -0.246 176.595 176.870 -0.049 0.000 1.157 355 L CA 0.432 55.245 54.840 -0.044 0.000 0.889 355 L CB -1.291 40.745 42.059 -0.039 0.000 1.158 355 L HN 0.577 nan 8.230 nan 0.000 0.473 356 A N 4.731 127.516 122.820 -0.059 0.000 2.605 356 A HA 0.443 4.763 4.320 -0.000 0.000 0.294 356 A C 0.273 177.775 177.584 -0.137 0.000 1.062 356 A CA -0.645 51.348 52.037 -0.074 0.000 0.682 356 A CB 0.692 19.674 19.000 -0.030 0.000 1.278 356 A HN 0.689 nan 8.150 nan 0.000 0.410 357 L N -0.237 120.839 121.223 -0.246 0.000 2.027 357 L HA 0.013 4.353 4.340 -0.000 0.000 0.206 357 L C 0.050 176.574 176.870 -0.577 0.000 1.074 357 L CA 1.405 55.917 54.840 -0.547 0.000 0.745 357 L CB -0.301 41.212 42.059 -0.909 0.000 0.898 357 L HN 0.717 nan 8.230 nan 0.000 0.433 358 Y N -1.903 118.386 120.300 -0.018 0.000 2.499 358 Y HA 0.388 4.938 4.550 -0.000 0.000 0.347 358 Y C 0.085 176.050 175.900 0.107 0.000 0.987 358 Y CA -0.791 57.345 58.100 0.060 0.000 1.044 358 Y CB 1.924 40.429 38.460 0.075 0.000 1.245 358 Y HN -0.288 nan 8.280 nan 0.000 0.461 359 S N -0.018 115.907 115.700 0.374 0.000 2.509 359 S HA 0.205 4.675 4.470 -0.000 0.000 0.297 359 S C 0.894 175.764 174.600 0.450 0.000 1.118 359 S CA -0.270 58.115 58.200 0.310 0.000 1.074 359 S CB 0.876 64.222 63.200 0.243 0.000 1.038 359 S HN 0.838 nan 8.310 nan 0.000 0.498 360 T N 0.897 115.640 114.554 0.315 0.000 3.007 360 T HA 0.054 4.404 4.350 -0.000 0.000 0.270 360 T C 0.412 175.415 174.700 0.505 0.000 1.107 360 T CA 0.756 63.069 62.100 0.355 0.000 1.118 360 T CB -0.506 68.450 68.868 0.147 0.000 0.889 360 T HN 0.797 nan 8.240 nan 0.000 0.506 361 E N -0.026 120.348 120.200 0.289 0.000 2.393 361 E HA 0.555 4.905 4.350 -0.000 0.000 0.273 361 E C -0.932 175.446 176.600 -0.369 0.000 0.918 361 E CA -1.445 54.901 56.400 -0.090 0.000 0.773 361 E CB 1.105 30.778 29.700 -0.045 0.000 1.275 361 E HN -0.001 nan 8.360 nan 0.000 0.451 362 M N 2.123 121.157 119.600 -0.944 0.000 2.290 362 M HA 0.133 4.613 4.480 -0.000 0.000 0.356 362 M C -1.131 174.879 176.300 -0.484 0.000 1.448 362 M CA 0.593 55.424 55.300 -0.781 0.000 0.993 362 M CB -0.038 32.014 32.600 -0.914 0.000 1.934 362 M HN 0.545 nan 8.290 nan 0.000 0.461 363 I N 6.324 126.682 120.570 -0.354 0.000 2.315 363 I HA 0.219 4.388 4.170 -0.000 0.000 0.291 363 I C -0.837 175.108 176.117 -0.286 0.000 1.006 363 I CA -0.545 60.640 61.300 -0.191 0.000 1.265 363 I CB 0.517 38.483 38.000 -0.058 0.000 1.387 363 I HN 0.606 nan 8.210 nan 0.000 0.475 364 Y N 4.526 124.812 120.300 -0.024 0.000 2.480 364 Y HA 0.335 4.885 4.550 -0.000 0.000 0.323 364 Y C 0.703 176.594 175.900 -0.013 0.000 1.267 364 Y CA -0.656 57.430 58.100 -0.023 0.000 1.336 364 Y CB 0.783 39.223 38.460 -0.033 0.000 1.361 364 Y HN 0.410 nan 8.280 nan 0.000 0.518 365 E N 1.960 122.269 120.200 0.181 0.000 2.277 365 E HA 0.292 4.642 4.350 -0.000 0.000 0.274 365 E C -2.491 174.143 176.600 0.057 0.000 1.022 365 E CA -1.919 54.536 56.400 0.093 0.000 0.853 365 E CB 0.654 30.398 29.700 0.075 0.000 1.086 365 E HN 0.290 nan 8.360 nan 0.000 0.397 366 P HA 0.237 nan 4.420 nan 0.000 0.282 366 P C -0.942 176.398 177.300 0.067 0.000 1.249 366 P CA -0.541 62.588 63.100 0.048 0.000 0.806 366 P CB 0.605 32.326 31.700 0.035 0.000 0.984 367 N N 0.516 119.272 118.700 0.093 0.000 2.525 367 N HA 0.667 5.407 4.740 -0.000 0.000 0.270 367 N C -1.536 174.068 175.510 0.156 0.000 1.321 367 N CA -0.866 52.220 53.050 0.060 0.000 0.797 367 N CB 1.430 39.923 38.487 0.010 0.000 1.529 367 N HN 0.498 nan 8.380 nan 0.000 0.491 368 Y N -2.764 117.553 120.300 0.027 0.000 2.656 368 Y HA 0.833 5.383 4.550 -0.000 0.000 0.334 368 Y C 0.320 176.232 175.900 0.019 0.000 1.179 368 Y CA -0.460 57.655 58.100 0.025 0.000 1.050 368 Y CB 0.864 39.342 38.460 0.030 0.000 1.308 368 Y HN 1.183 nan 8.280 nan 0.000 0.456 369 G N 0.509 109.443 108.800 0.223 0.000 2.451 369 G HA2 0.089 4.048 3.960 -0.000 0.000 0.208 369 G HA3 0.089 4.048 3.960 -0.000 0.000 0.208 369 G C -1.147 173.783 174.900 0.050 0.000 1.248 369 G CA -0.488 44.677 45.100 0.109 0.000 0.989 369 G HN 1.320 nan 8.290 nan 0.000 0.559 370 S N -0.598 115.111 115.700 0.015 0.000 2.461 370 S HA 0.565 5.034 4.470 -0.000 0.000 0.322 370 S C 0.054 174.645 174.600 -0.016 0.000 1.063 370 S CA -0.066 58.136 58.200 0.003 0.000 1.120 370 S CB -0.404 62.795 63.200 -0.001 0.000 0.968 370 S HN 1.046 nan 8.310 nan 0.000 0.467 371 c N 6.938 125.533 118.600 -0.008 0.000 2.355 371 c HA 0.622 5.192 4.570 -0.000 0.000 0.332 371 c C -2.070 172.021 174.090 0.000 0.000 1.255 371 c CA -1.337 54.986 56.329 -0.010 0.000 1.792 371 c CB 0.712 43.219 42.510 -0.005 0.000 2.300 371 c HN 0.672 nan 8.230 nan 0.000 0.515 372 P HA 0.205 nan 4.420 nan 0.000 0.272 372 P C -0.853 176.502 177.300 0.091 0.000 1.223 372 P CA 0.008 63.121 63.100 0.021 0.000 0.784 372 P CB 0.407 32.134 31.700 0.046 0.000 0.923 373 Q N 0.674 120.558 119.800 0.139 0.000 2.222 373 Q HA 0.350 4.690 4.340 -0.000 0.000 0.252 373 Q C -0.352 175.907 176.000 0.431 0.000 0.926 373 Q CA -0.785 55.186 55.803 0.279 0.000 0.899 373 Q CB 1.197 30.174 28.738 0.398 0.000 1.250 373 Q HN 0.457 nan 8.270 nan 0.000 0.441 374 F N 2.802 122.870 119.950 0.197 0.000 2.578 374 F HA -0.127 4.400 4.527 -0.000 0.000 0.381 374 F C 0.954 176.889 175.800 0.225 0.000 1.069 374 F CA -0.467 57.626 58.000 0.155 0.000 1.231 374 F CB 0.468 39.468 39.000 0.000 0.000 1.086 374 F HN 0.749 nan 8.300 nan 0.000 0.564 375 Y N 4.024 124.323 120.300 -0.003 0.000 2.274 375 Y HA -0.133 4.417 4.550 -0.000 0.000 0.290 375 Y C 1.799 177.481 175.900 -0.363 0.000 1.145 375 Y CA 1.319 59.327 58.100 -0.153 0.000 1.203 375 Y CB -0.621 37.701 38.460 -0.229 0.000 0.984 375 Y HN 0.532 nan 8.280 nan 0.000 0.533 376 K N 0.759 120.112 120.400 -1.745 0.000 2.147 376 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 376 K C 1.916 178.109 176.600 -0.679 0.000 1.049 376 K CA 1.443 56.907 56.287 -1.371 0.000 0.936 376 K CB -0.297 31.256 32.500 -1.580 0.000 0.722 376 K HN 0.437 nan 8.250 nan 0.000 0.446 377 L N 0.024 120.913 121.223 -0.556 0.000 2.187 377 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 377 L C 0.748 177.304 176.870 -0.523 0.000 1.100 377 L CA 0.937 55.510 54.840 -0.445 0.000 0.765 377 L CB -0.221 41.576 42.059 -0.436 0.000 0.904 377 L HN 0.008 nan 8.230 nan 0.000 0.437 378 F N 0.000 119.859 119.950 -0.152 0.000 2.286 378 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 378 F CA 0.000 57.958 58.000 -0.071 0.000 1.383 378 F CB 0.000 39.042 39.000 0.071 0.000 1.145 378 F HN 0.000 nan 8.300 nan 0.000 0.574