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 2vak_1_H DATA FIRST_RESID 5 DATA SEQUENCE SEFGSTMARA IYDFFSTPFG NRGLATNRTQ LSSLLSSSNS PWQXXXXXXX DATA SEQUENCE XXXXXXIVST PEAPYPGSLM YQESMLHSAT VPGVLGSRDA WRTFNVFGLS DATA SEQUENCE WTDEGLSGLV AAQDPPPAAP YQPASAQWSD LLNYPRWANR RRELQSKYPL DATA SEQUENCE LLRSTLLSAM RAGPVLYVET WPNMISGRLA DWFMSQYGNN FVDMCARLTQ DATA SEQUENCE SCSNMPVEPD GNYDQQMRAL ISLWLLSYIG VVNQTNTISG FYFSSKTRGQ DATA SEQUENCE ALDSWTLFYT TNTNRVQITQ RHFAYVCARS PDWNVDKSWI AAANLTAIVM DATA SEQUENCE ACRQPPVFAN QGVINQAQNR PGFSMNGGTP VHELNLLTTA QECIRQWVMA DATA SEQUENCE GLVSAAKGQA LTQEANDFSN LIQADLGQIK AQDDALYNQQ PGYARRIKPF DATA SEQUENCE VNGDWTPGMT AQALAVLATF TA 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.491 174.600 -0.181 0.000 1.055 5 S CA 0.000 58.140 58.200 -0.100 0.000 1.107 5 S CB 0.000 63.174 63.200 -0.044 0.000 0.593 6 E N 2.746 122.746 120.200 -0.333 0.000 2.347 6 E HA 0.010 4.360 4.350 -0.001 0.000 0.196 6 E C 0.422 176.678 176.600 -0.574 0.000 1.008 6 E CA 0.917 57.009 56.400 -0.513 0.000 0.852 6 E CB -0.282 29.005 29.700 -0.688 0.000 0.783 6 E HN 0.632 nan 8.360 nan 0.000 0.505 7 F N 1.027 120.923 119.950 -0.089 0.000 2.714 7 F HA 0.345 4.872 4.527 -0.000 0.000 0.294 7 F C 1.575 177.295 175.800 -0.132 0.000 1.120 7 F CA 0.485 58.423 58.000 -0.103 0.000 1.398 7 F CB 0.426 39.371 39.000 -0.092 0.000 1.120 7 F HN 0.196 nan 8.300 nan 0.000 0.589 8 G N 0.210 109.005 108.800 -0.009 0.000 2.584 8 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.229 8 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.229 8 G C -0.393 174.461 174.900 -0.078 0.000 1.320 8 G CA -0.414 44.636 45.100 -0.083 0.000 0.891 8 G HN 0.160 nan 8.290 nan 0.000 0.573 9 S N 0.603 116.241 115.700 -0.103 0.000 2.434 9 S HA 0.528 4.997 4.470 -0.001 0.000 0.318 9 S C 1.176 175.729 174.600 -0.079 0.000 1.062 9 S CA 0.431 58.573 58.200 -0.096 0.000 1.116 9 S CB 1.234 64.368 63.200 -0.109 0.000 0.977 9 S HN 1.446 nan 8.310 nan 0.000 0.480 10 T N -0.696 113.813 114.554 -0.074 0.000 3.022 10 T HA 0.278 4.627 4.350 -0.001 0.000 0.250 10 T C 0.580 175.230 174.700 -0.083 0.000 1.060 10 T CA -0.055 61.996 62.100 -0.081 0.000 1.013 10 T CB -0.190 68.628 68.868 -0.084 0.000 0.982 10 T HN 0.432 nan 8.240 nan 0.000 0.508 11 M N 2.435 121.987 119.600 -0.080 0.000 2.162 11 M HA 0.555 5.035 4.480 -0.001 0.000 0.356 11 M C 0.605 176.860 176.300 -0.074 0.000 1.303 11 M CA -0.735 54.519 55.300 -0.077 0.000 1.116 11 M CB 0.860 33.415 32.600 -0.075 0.000 1.632 11 M HN 0.233 nan 8.290 nan 0.000 0.469 12 A N 3.237 126.016 122.820 -0.068 0.000 2.555 12 A HA 0.121 4.441 4.320 -0.001 0.000 0.233 12 A C 0.271 177.806 177.584 -0.083 0.000 1.060 12 A CA -0.050 51.950 52.037 -0.063 0.000 0.759 12 A CB 0.113 19.086 19.000 -0.045 0.000 0.995 12 A HN 0.902 nan 8.150 nan 0.000 0.506 13 R N 1.287 121.722 120.500 -0.109 0.000 2.442 13 R HA 0.418 4.758 4.340 -0.001 0.000 0.291 13 R C 0.450 176.604 176.300 -0.244 0.000 1.069 13 R CA 1.033 57.001 56.100 -0.221 0.000 1.022 13 R CB 0.498 30.617 30.300 -0.300 0.000 0.976 13 R HN 0.781 nan 8.270 nan 0.000 0.443 14 A N 5.310 127.972 122.820 -0.264 0.000 2.340 14 A HA 0.333 4.652 4.320 -0.001 0.000 0.213 14 A C 0.171 177.653 177.584 -0.170 0.000 1.299 14 A CA -0.279 51.683 52.037 -0.124 0.000 0.994 14 A CB 0.230 19.198 19.000 -0.055 0.000 1.132 14 A HN 0.606 nan 8.150 nan 0.000 0.519 15 I N 0.515 120.874 120.570 -0.352 0.000 2.362 15 I HA 0.333 4.502 4.170 -0.001 0.000 0.289 15 I C -1.340 174.495 176.117 -0.471 0.000 0.994 15 I CA -0.619 60.538 61.300 -0.238 0.000 1.158 15 I CB 1.284 39.215 38.000 -0.115 0.000 1.315 15 I HN 0.197 nan 8.210 nan 0.000 0.451 16 Y N 3.949 124.161 120.300 -0.147 0.000 2.919 16 Y HA 0.333 4.883 4.550 -0.001 0.000 0.341 16 Y C -0.370 175.566 175.900 0.060 0.000 1.045 16 Y CA -0.878 57.030 58.100 -0.321 0.000 1.218 16 Y CB 0.405 38.571 38.460 -0.490 0.000 1.137 16 Y HN 0.446 nan 8.280 nan 0.000 0.577 17 D N 1.930 122.537 120.400 0.345 0.000 2.163 17 D HA 0.263 4.902 4.640 -0.001 0.000 0.248 17 D C -1.132 175.571 176.300 0.671 0.000 1.035 17 D CA -0.270 54.005 54.000 0.459 0.000 0.872 17 D CB 1.638 42.593 40.800 0.257 0.000 1.183 17 D HN 0.248 nan 8.370 nan 0.000 0.445 18 F N 2.898 123.148 119.950 0.500 0.000 2.507 18 F HA 0.492 5.018 4.527 -0.001 0.000 0.325 18 F C -1.643 174.260 175.800 0.170 0.000 1.116 18 F CA -1.150 57.041 58.000 0.318 0.000 0.930 18 F CB 0.948 40.098 39.000 0.249 0.000 1.146 18 F HN 0.092 nan 8.300 nan 0.000 0.447 19 F N 5.542 124.755 119.950 -1.229 0.000 2.444 19 F HA 0.528 5.054 4.527 -0.001 0.000 0.342 19 F C -0.165 174.828 175.800 -1.345 0.000 1.121 19 F CA -0.796 56.335 58.000 -1.447 0.000 0.997 19 F CB 1.260 39.213 39.000 -1.745 0.000 1.130 19 F HN 0.524 nan 8.300 nan 0.000 0.454 20 S N 3.149 118.061 115.700 -1.313 0.000 2.601 20 S HA 0.391 4.861 4.470 -0.001 0.000 0.271 20 S C -0.115 174.040 174.600 -0.742 0.000 1.305 20 S CA -0.717 57.070 58.200 -0.689 0.000 1.022 20 S CB 0.765 63.858 63.200 -0.179 0.000 0.940 20 S HN 0.676 nan 8.310 nan 0.000 0.525 21 T N 4.508 118.882 114.554 -0.300 0.000 2.871 21 T HA 0.220 4.570 4.350 -0.001 0.000 0.296 21 T C -2.413 172.178 174.700 -0.182 0.000 0.998 21 T CA -0.302 61.694 62.100 -0.173 0.000 1.162 21 T CB -0.323 68.514 68.868 -0.051 0.000 0.947 21 T HN 0.546 nan 8.240 nan 0.000 0.536 22 P HA 0.373 nan 4.420 nan 0.000 0.276 22 P C -0.708 176.581 177.300 -0.019 0.000 1.230 22 P CA -0.378 62.608 63.100 -0.190 0.000 0.776 22 P CB 0.192 31.843 31.700 -0.082 0.000 0.888 23 F N -0.271 119.675 119.950 -0.007 0.000 2.643 23 F HA 0.841 5.368 4.527 -0.001 0.000 0.314 23 F C 0.432 176.278 175.800 0.076 0.000 1.096 23 F CA -1.068 56.942 58.000 0.017 0.000 0.953 23 F CB 0.723 39.756 39.000 0.055 0.000 1.345 23 F HN 0.366 nan 8.300 nan 0.000 0.468 24 G N 0.399 109.479 108.800 0.466 0.000 2.829 24 G HA2 0.189 4.149 3.960 -0.001 0.000 0.173 24 G HA3 0.189 4.149 3.960 -0.001 0.000 0.173 24 G C -0.051 175.132 174.900 0.472 0.000 1.476 24 G CA -0.213 45.125 45.100 0.396 0.000 1.072 24 G HN 0.854 nan 8.290 nan 0.000 0.577 25 N N -0.649 118.246 118.700 0.324 0.000 2.449 25 N HA 0.026 4.765 4.740 -0.001 0.000 0.191 25 N C 0.916 176.476 175.510 0.084 0.000 1.161 25 N CA 0.116 53.275 53.050 0.182 0.000 0.863 25 N CB 0.285 38.835 38.487 0.105 0.000 0.980 25 N HN 0.296 nan 8.380 nan 0.000 0.458 26 R N 0.223 120.741 120.500 0.031 0.000 2.700 26 R HA 0.398 4.737 4.340 -0.001 0.000 0.399 26 R C 0.449 176.699 176.300 -0.084 0.000 1.115 26 R CA 0.156 56.156 56.100 -0.166 0.000 1.058 26 R CB 0.123 30.113 30.300 -0.517 0.000 1.389 26 R HN 0.252 nan 8.270 nan 0.000 0.582 27 G N 1.441 110.248 108.800 0.012 0.000 2.760 27 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.246 27 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.246 27 G C -0.608 173.815 174.900 -0.796 0.000 1.359 27 G CA -0.704 44.115 45.100 -0.468 0.000 0.861 27 G HN 0.244 nan 8.290 nan 0.000 0.541 28 L N 0.802 121.228 121.223 -1.329 0.000 2.513 28 L HA 0.527 4.867 4.340 -0.001 0.000 0.272 28 L C 1.596 178.403 176.870 -0.105 0.000 1.187 28 L CA 1.169 55.641 54.840 -0.613 0.000 0.895 28 L CB 0.593 42.477 42.059 -0.291 0.000 1.147 28 L HN 1.729 nan 8.230 nan 0.000 0.483 29 A N 4.079 126.900 122.820 0.002 0.000 3.033 29 A HA 0.395 4.714 4.320 -0.001 0.000 0.250 29 A C 0.491 178.022 177.584 -0.089 0.000 1.633 29 A CA 0.279 52.369 52.037 0.088 0.000 1.290 29 A CB -0.807 18.203 19.000 0.018 0.000 1.048 29 A HN 0.778 nan 8.150 nan 0.000 0.648 30 T N -0.288 114.122 114.554 -0.239 0.000 2.804 30 T HA 0.624 4.973 4.350 -0.001 0.000 0.290 30 T C -1.055 173.270 174.700 -0.624 0.000 1.099 30 T CA -0.346 61.490 62.100 -0.440 0.000 1.011 30 T CB 1.132 69.680 68.868 -0.533 0.000 1.291 30 T HN 0.756 nan 8.240 nan 0.000 0.523 31 N N -0.389 117.933 118.700 -0.630 0.000 2.934 31 N HA 0.349 5.089 4.740 -0.001 0.000 0.253 31 N C 0.315 175.595 175.510 -0.383 0.000 1.466 31 N CA -0.973 51.779 53.050 -0.496 0.000 0.858 31 N CB 0.840 39.217 38.487 -0.183 0.000 1.459 31 N HN 0.533 nan 8.380 nan 0.000 0.532 32 R N -0.848 119.576 120.500 -0.126 0.000 2.152 32 R HA -0.057 4.282 4.340 -0.001 0.000 0.232 32 R C 0.497 176.743 176.300 -0.090 0.000 1.117 32 R CA 2.131 58.201 56.100 -0.050 0.000 0.981 32 R CB -0.543 29.777 30.300 0.033 0.000 0.870 32 R HN 0.743 nan 8.270 nan 0.000 0.451 33 T N 0.327 114.822 114.554 -0.098 0.000 2.698 33 T HA -0.185 4.164 4.350 -0.001 0.000 0.260 33 T C 1.669 176.299 174.700 -0.117 0.000 1.044 33 T CA 1.322 63.368 62.100 -0.090 0.000 1.149 33 T CB -0.224 68.600 68.868 -0.073 0.000 0.864 33 T HN 0.364 nan 8.240 nan 0.000 0.419 34 Q N 0.417 120.122 119.800 -0.159 0.000 2.124 34 Q HA -0.042 4.298 4.340 -0.001 0.000 0.202 34 Q C 2.324 178.220 176.000 -0.172 0.000 0.977 34 Q CA 1.033 56.737 55.803 -0.166 0.000 0.850 34 Q CB -0.280 28.337 28.738 -0.203 0.000 0.901 34 Q HN 0.490 nan 8.270 nan 0.000 0.429 35 L N 0.288 121.386 121.223 -0.209 0.000 2.083 35 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 35 L C 2.354 179.137 176.870 -0.145 0.000 1.083 35 L CA 1.218 55.942 54.840 -0.193 0.000 0.752 35 L CB -0.308 41.627 42.059 -0.207 0.000 0.899 35 L HN 0.197 nan 8.230 nan 0.000 0.433 36 S N -0.475 115.154 115.700 -0.119 0.000 2.481 36 S HA -0.095 4.375 4.470 -0.001 0.000 0.231 36 S C 1.961 176.511 174.600 -0.083 0.000 0.996 36 S CA 1.142 59.285 58.200 -0.094 0.000 0.942 36 S CB -0.130 63.026 63.200 -0.072 0.000 0.768 36 S HN 0.583 nan 8.310 nan 0.000 0.520 37 S N 0.942 116.590 115.700 -0.086 0.000 2.593 37 S HA 0.256 4.726 4.470 -0.001 0.000 0.217 37 S C 1.344 175.904 174.600 -0.068 0.000 0.966 37 S CA 0.009 58.168 58.200 -0.069 0.000 0.914 37 S CB -0.375 62.786 63.200 -0.065 0.000 0.776 37 S HN 0.423 nan 8.310 nan 0.000 0.523 38 L N 0.308 121.479 121.223 -0.087 0.000 2.463 38 L HA 0.394 4.733 4.340 -0.001 0.000 0.219 38 L C 0.433 177.251 176.870 -0.087 0.000 1.088 38 L CA 0.059 54.845 54.840 -0.089 0.000 0.849 38 L CB -0.154 41.830 42.059 -0.125 0.000 1.012 38 L HN 0.245 nan 8.230 nan 0.000 0.468 39 L N 0.580 121.748 121.223 -0.091 0.000 2.397 39 L HA 0.153 4.493 4.340 -0.001 0.000 0.271 39 L C 1.022 177.862 176.870 -0.050 0.000 1.148 39 L CA -0.244 54.545 54.840 -0.086 0.000 0.825 39 L CB 1.111 43.113 42.059 -0.096 0.000 1.117 39 L HN 0.158 nan 8.230 nan 0.000 0.456 40 S N 1.369 117.049 115.700 -0.033 0.000 2.606 40 S HA 0.070 4.540 4.470 -0.001 0.000 0.257 40 S C 1.302 175.899 174.600 -0.006 0.000 1.327 40 S CA -0.115 58.080 58.200 -0.009 0.000 0.984 40 S CB 1.126 64.333 63.200 0.012 0.000 0.941 40 S HN 0.660 nan 8.310 nan 0.000 0.576 41 S N 1.730 117.432 115.700 0.003 0.000 2.393 41 S HA -0.201 4.269 4.470 -0.001 0.000 0.234 41 S C 1.964 176.570 174.600 0.010 0.000 1.064 41 S CA 1.914 60.117 58.200 0.005 0.000 1.088 41 S CB -1.254 61.953 63.200 0.011 0.000 0.939 41 S HN 1.067 nan 8.310 nan 0.000 0.448 42 S N 1.058 116.770 115.700 0.020 0.000 2.603 42 S HA 0.184 4.654 4.470 -0.001 0.000 0.220 42 S C 0.343 174.960 174.600 0.029 0.000 0.967 42 S CA 0.277 58.494 58.200 0.029 0.000 0.920 42 S CB -0.683 62.543 63.200 0.043 0.000 0.773 42 S HN 0.646 nan 8.310 nan 0.000 0.529 43 N N -0.209 118.497 118.700 0.009 0.000 2.990 43 N HA -0.146 4.594 4.740 -0.001 0.000 0.247 43 N C -0.606 174.896 175.510 -0.013 0.000 1.096 43 N CA 0.572 53.615 53.050 -0.012 0.000 0.797 43 N CB -1.642 36.845 38.487 0.000 0.000 1.114 43 N HN 0.353 nan 8.380 nan 0.000 0.549 44 S N 0.404 116.104 115.700 -0.000 0.000 2.475 44 S HA 0.418 4.887 4.470 -0.001 0.000 0.281 44 S C -1.577 172.946 174.600 -0.128 0.000 1.198 44 S CA -1.567 56.634 58.200 0.002 0.000 1.063 44 S CB 1.058 64.312 63.200 0.090 0.000 0.972 44 S HN 0.001 nan 8.310 nan 0.000 0.486 45 P HA 0.171 nan 4.420 nan 0.000 0.240 45 P C 0.191 177.261 177.300 -0.384 0.000 1.190 45 P CA 0.451 63.263 63.100 -0.480 0.000 0.781 45 P CB 0.040 31.293 31.700 -0.746 0.000 0.931 46 W N -1.268 120.120 121.300 0.147 0.000 2.704 46 W HA 0.208 4.868 4.660 -0.001 0.000 0.266 46 W C 1.479 178.039 176.519 0.068 0.000 1.266 46 W CA -0.214 57.192 57.345 0.102 0.000 1.377 46 W CB -0.237 29.270 29.460 0.079 0.000 1.082 46 W HN -0.119 nan 8.180 nan 0.000 0.608 62 V N 1.667 121.598 119.914 0.027 0.000 3.366 62 V HA 0.126 4.245 4.120 -0.001 0.000 0.325 62 V C 1.081 177.174 176.094 -0.001 0.000 1.168 62 V CA 0.721 63.029 62.300 0.012 0.000 1.348 62 V CB -0.717 31.115 31.823 0.016 0.000 1.069 62 V HN 0.407 nan 8.190 nan 0.000 0.416 63 S N 0.483 116.174 115.700 -0.015 0.000 2.587 63 S HA 0.228 4.698 4.470 -0.001 0.000 0.260 63 S C 0.304 174.872 174.600 -0.053 0.000 1.353 63 S CA 0.217 58.387 58.200 -0.049 0.000 0.995 63 S CB 1.060 64.196 63.200 -0.107 0.000 0.912 63 S HN 0.665 nan 8.310 nan 0.000 0.568 64 T N 0.723 115.235 114.554 -0.070 0.000 2.883 64 T HA 0.435 4.785 4.350 -0.001 0.000 0.301 64 T C -2.121 172.534 174.700 -0.076 0.000 1.158 64 T CA -1.550 60.516 62.100 -0.057 0.000 1.007 64 T CB 1.440 70.282 68.868 -0.042 0.000 1.186 64 T HN 0.185 nan 8.240 nan 0.000 0.499 65 P HA -0.087 nan 4.420 nan 0.000 0.216 65 P C 1.252 178.521 177.300 -0.052 0.000 1.150 65 P CA 0.844 63.909 63.100 -0.059 0.000 0.837 65 P CB 0.240 31.918 31.700 -0.035 0.000 0.786 66 E N -0.249 119.922 120.200 -0.048 0.000 2.347 66 E HA 0.020 4.370 4.350 -0.001 0.000 0.196 66 E C 0.734 177.305 176.600 -0.049 0.000 1.008 66 E CA 0.700 57.069 56.400 -0.052 0.000 0.852 66 E CB -0.498 29.167 29.700 -0.060 0.000 0.783 66 E HN 0.140 nan 8.360 nan 0.000 0.505 67 A N 2.436 125.226 122.820 -0.049 0.000 3.082 67 A HA 0.362 4.682 4.320 -0.001 0.000 0.328 67 A C -2.106 175.432 177.584 -0.077 0.000 1.089 67 A CA -1.144 50.872 52.037 -0.034 0.000 0.802 67 A CB 0.981 19.972 19.000 -0.016 0.000 1.138 67 A HN -0.093 nan 8.150 nan 0.000 0.474 68 P HA 0.034 nan 4.420 nan 0.000 0.241 68 P C -0.493 176.456 177.300 -0.585 0.000 1.191 68 P CA 0.954 63.822 63.100 -0.386 0.000 0.771 68 P CB -0.110 31.278 31.700 -0.519 0.000 0.929 69 Y N -1.815 118.475 120.300 -0.018 0.000 2.562 69 Y HA 0.321 4.871 4.550 -0.001 0.000 0.345 69 Y C -1.654 174.235 175.900 -0.019 0.000 1.045 69 Y CA -2.594 55.487 58.100 -0.031 0.000 1.028 69 Y CB 1.190 39.593 38.460 -0.096 0.000 1.297 69 Y HN -0.367 nan 8.280 nan 0.000 0.463 70 P HA -0.189 nan 4.420 nan 0.000 0.215 70 P C 1.609 178.992 177.300 0.138 0.000 1.157 70 P CA 2.489 65.675 63.100 0.142 0.000 0.874 70 P CB -0.032 31.765 31.700 0.161 0.000 0.790 71 G N -0.624 108.205 108.800 0.049 0.000 2.562 71 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.223 71 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.223 71 G C 1.620 176.571 174.900 0.085 0.000 1.102 71 G CA 1.291 46.351 45.100 -0.067 0.000 0.742 71 G HN 0.236 nan 8.290 nan 0.000 0.587 72 S N 0.254 116.008 115.700 0.091 0.000 2.356 72 S HA -0.018 4.452 4.470 -0.001 0.000 0.223 72 S C 2.217 176.909 174.600 0.152 0.000 1.032 72 S CA 0.901 59.178 58.200 0.128 0.000 1.005 72 S CB -0.246 63.007 63.200 0.087 0.000 0.867 72 S HN 0.347 nan 8.310 nan 0.000 0.449 73 L N 0.444 121.740 121.223 0.120 0.000 2.201 73 L HA -0.015 4.325 4.340 -0.001 0.000 0.212 73 L C 2.481 179.412 176.870 0.101 0.000 1.105 73 L CA 0.857 55.747 54.840 0.083 0.000 0.775 73 L CB -0.394 41.704 42.059 0.065 0.000 0.913 73 L HN 0.375 nan 8.230 nan 0.000 0.440 74 M N -1.396 118.317 119.600 0.187 0.000 2.099 74 M HA -0.255 4.224 4.480 -0.001 0.000 0.262 74 M C 2.373 178.801 176.300 0.214 0.000 1.067 74 M CA 1.855 57.284 55.300 0.216 0.000 1.124 74 M CB -0.219 32.582 32.600 0.335 0.000 1.353 74 M HN 0.154 nan 8.290 nan 0.000 0.410 75 Y N 1.081 121.478 120.300 0.161 0.000 2.145 75 Y HA -0.272 4.278 4.550 -0.001 0.000 0.286 75 Y C 2.233 178.151 175.900 0.031 0.000 1.145 75 Y CA 1.961 60.133 58.100 0.119 0.000 1.148 75 Y CB -0.458 38.088 38.460 0.144 0.000 0.981 75 Y HN 0.303 nan 8.280 nan 0.000 0.507 76 Q N -0.146 119.637 119.800 -0.028 0.000 2.084 76 Q HA -0.211 4.129 4.340 -0.001 0.000 0.202 76 Q C 2.096 177.950 176.000 -0.245 0.000 0.978 76 Q CA 1.921 57.620 55.803 -0.174 0.000 0.844 76 Q CB -0.225 28.469 28.738 -0.074 0.000 0.898 76 Q HN 0.605 nan 8.270 nan 0.000 0.426 77 E N 0.542 120.619 120.200 -0.205 0.000 2.153 77 E HA -0.169 4.181 4.350 -0.001 0.000 0.194 77 E C 2.201 178.469 176.600 -0.555 0.000 0.988 77 E CA 1.194 57.363 56.400 -0.384 0.000 0.811 77 E CB -0.046 29.482 29.700 -0.286 0.000 0.746 77 E HN 0.320 nan 8.360 nan 0.000 0.466 78 S N 0.810 116.361 115.700 -0.249 0.000 2.383 78 S HA -0.217 4.253 4.470 -0.001 0.000 0.229 78 S C 2.035 176.572 174.600 -0.106 0.000 1.030 78 S CA 1.152 59.300 58.200 -0.087 0.000 1.002 78 S CB -0.237 62.943 63.200 -0.034 0.000 0.829 78 S HN 0.183 nan 8.310 nan 0.000 0.467 79 M N 0.174 119.613 119.600 -0.268 0.000 2.254 79 M HA 0.105 4.584 4.480 -0.001 0.000 0.265 79 M C 2.290 178.527 176.300 -0.105 0.000 1.066 79 M CA 0.957 56.136 55.300 -0.202 0.000 1.123 79 M CB -0.539 31.854 32.600 -0.345 0.000 1.388 79 M HN 0.410 nan 8.290 nan 0.000 0.425 80 L N 0.130 121.235 121.223 -0.196 0.000 2.017 80 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 80 L C 2.153 179.032 176.870 0.017 0.000 1.073 80 L CA 2.103 56.854 54.840 -0.148 0.000 0.745 80 L CB -0.682 41.218 42.059 -0.265 0.000 0.894 80 L HN 0.291 nan 8.230 nan 0.000 0.432 81 H N -1.596 117.509 119.070 0.057 0.000 2.353 81 H HA -0.100 4.455 4.556 -0.001 0.000 0.300 81 H C 2.177 177.571 175.328 0.109 0.000 1.090 81 H CA 1.151 57.244 56.048 0.074 0.000 1.327 81 H CB -0.013 29.848 29.762 0.164 0.000 1.383 81 H HN 0.373 nan 8.280 nan 0.000 0.508 82 S N 0.244 116.184 115.700 0.400 0.000 2.428 82 S HA -0.061 4.408 4.470 -0.001 0.000 0.230 82 S C 2.306 177.157 174.600 0.417 0.000 1.014 82 S CA 0.627 59.100 58.200 0.456 0.000 0.957 82 S CB 0.030 63.438 63.200 0.347 0.000 0.784 82 S HN 0.510 nan 8.310 nan 0.000 0.499 83 A N 1.547 124.590 122.820 0.373 0.000 1.935 83 A HA -0.011 4.309 4.320 -0.001 0.000 0.214 83 A C 2.332 180.279 177.584 0.605 0.000 1.178 83 A CA 1.663 53.995 52.037 0.492 0.000 0.640 83 A CB -0.718 18.563 19.000 0.468 0.000 0.825 83 A HN 0.583 nan 8.150 nan 0.000 0.447 84 T N -4.655 110.157 114.554 0.431 0.000 3.000 84 T HA 0.179 4.529 4.350 -0.001 0.000 0.248 84 T C 1.515 176.419 174.700 0.340 0.000 1.034 84 T CA 0.948 63.327 62.100 0.464 0.000 1.060 84 T CB 0.125 69.153 68.868 0.267 0.000 0.983 84 T HN -0.014 nan 8.240 nan 0.000 0.482 85 V N 2.324 122.346 119.914 0.180 0.000 2.436 85 V HA 0.137 4.257 4.120 -0.001 0.000 0.240 85 V C -0.653 175.322 176.094 -0.198 0.000 1.040 85 V CA 0.620 62.892 62.300 -0.047 0.000 1.052 85 V CB -0.753 31.023 31.823 -0.079 0.000 0.707 85 V HN 0.301 nan 8.190 nan 0.000 0.469 86 P HA -0.077 nan 4.420 nan 0.000 0.220 86 P C 1.521 178.702 177.300 -0.198 0.000 1.148 86 P CA 1.643 64.728 63.100 -0.024 0.000 0.803 86 P CB -0.219 31.606 31.700 0.209 0.000 0.782 87 G N -0.800 107.679 108.800 -0.533 0.000 2.650 87 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.214 87 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.214 87 G C 1.271 175.817 174.900 -0.590 0.000 1.136 87 G CA 0.140 44.670 45.100 -0.951 0.000 0.789 87 G HN 0.271 nan 8.290 nan 0.000 0.536 88 V N 0.473 119.982 119.914 -0.675 0.000 3.621 88 V HA 0.319 4.439 4.120 -0.001 0.000 0.285 88 V C 2.102 178.006 176.094 -0.316 0.000 1.346 88 V CA 0.172 62.127 62.300 -0.574 0.000 1.104 88 V CB 0.045 31.373 31.823 -0.826 0.000 0.913 88 V HN 0.348 nan 8.190 nan 0.000 0.432 89 L N -0.076 121.006 121.223 -0.235 0.000 2.418 89 L HA 0.134 4.474 4.340 -0.001 0.000 0.218 89 L C 2.473 179.404 176.870 0.103 0.000 1.125 89 L CA 1.128 55.933 54.840 -0.059 0.000 0.835 89 L CB -0.658 41.385 42.059 -0.027 0.000 0.953 89 L HN 0.456 nan 8.230 nan 0.000 0.454 90 G N -0.274 108.550 108.800 0.040 0.000 2.501 90 G HA2 0.054 4.013 3.960 -0.001 0.000 0.220 90 G HA3 0.054 4.013 3.960 -0.001 0.000 0.220 90 G C 0.595 175.517 174.900 0.037 0.000 1.114 90 G CA 0.986 46.114 45.100 0.046 0.000 0.757 90 G HN 0.511 nan 8.290 nan 0.000 0.559 91 S N -2.048 113.680 115.700 0.047 0.000 2.645 91 S HA 0.563 5.033 4.470 -0.001 0.000 0.268 91 S C 0.652 175.213 174.600 -0.065 0.000 1.110 91 S CA -0.354 57.834 58.200 -0.020 0.000 0.823 91 S CB 0.247 nan 63.200 nan 0.000 1.091 91 S HN -0.002 nan 8.310 nan 0.000 0.466 92 R N -0.042 120.387 120.500 -0.119 0.000 2.189 92 R HA 0.006 4.346 4.340 -0.001 0.000 0.223 92 R C -0.337 176.038 176.300 0.125 0.000 1.092 92 R CA 1.356 57.386 56.100 -0.117 0.000 0.989 92 R CB 0.050 30.283 30.300 -0.111 0.000 0.876 92 R HN 0.655 nan 8.270 nan 0.000 0.457 93 D N -0.861 119.585 120.400 0.077 0.000 2.501 93 D HA 0.151 4.790 4.640 -0.001 0.000 0.224 93 D C 0.852 177.107 176.300 -0.074 0.000 1.202 93 D CA 0.045 54.041 54.000 -0.006 0.000 0.829 93 D CB 0.969 41.730 40.800 -0.066 0.000 1.023 93 D HN 0.108 nan 8.370 nan 0.000 0.499 94 A N 1.208 124.070 122.820 0.071 0.000 1.930 94 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 94 A C 1.995 179.662 177.584 0.137 0.000 1.175 94 A CA 0.611 52.697 52.037 0.082 0.000 0.627 94 A CB -0.985 18.067 19.000 0.087 0.000 0.815 94 A HN 0.528 nan 8.150 nan 0.000 0.443 95 W N 0.556 121.908 121.300 0.086 0.000 2.468 95 W HA -0.102 4.557 4.660 -0.001 0.000 0.262 95 W C 1.556 178.205 176.519 0.216 0.000 1.241 95 W CA 0.783 58.231 57.345 0.171 0.000 1.232 95 W CB -0.645 28.869 29.460 0.090 0.000 1.124 95 W HN 0.275 nan 8.180 nan 0.000 0.597 96 R N 1.050 121.088 120.500 -0.771 0.000 2.075 96 R HA -0.120 4.220 4.340 -0.001 0.000 0.230 96 R C 2.565 178.692 176.300 -0.288 0.000 1.140 96 R CA 3.006 58.576 56.100 -0.883 0.000 0.928 96 R CB -0.946 28.862 30.300 -0.819 0.000 0.834 96 R HN 0.236 nan 8.270 nan 0.000 0.429 97 T N -1.937 112.533 114.554 -0.140 0.000 3.107 97 T HA 0.061 4.410 4.350 -0.001 0.000 0.249 97 T C 0.359 175.089 174.700 0.050 0.000 1.096 97 T CA -0.394 61.681 62.100 -0.041 0.000 1.012 97 T CB -0.237 68.605 68.868 -0.043 0.000 0.977 97 T HN 0.070 nan 8.240 nan 0.000 0.527 98 F N 4.200 124.164 119.950 0.023 0.000 2.543 98 F HA 0.410 4.936 4.527 -0.001 0.000 0.375 98 F C 0.050 175.898 175.800 0.081 0.000 1.075 98 F CA -0.876 57.174 58.000 0.084 0.000 1.225 98 F CB 0.226 39.329 39.000 0.172 0.000 1.099 98 F HN 0.451 nan 8.300 nan 0.000 0.561 99 N N 4.294 122.484 118.700 -0.851 0.000 2.264 99 N HA 0.626 5.366 4.740 -0.001 0.000 0.288 99 N C -2.203 172.840 175.510 -0.777 0.000 1.094 99 N CA -0.976 51.671 53.050 -0.672 0.000 0.817 99 N CB 2.302 40.616 38.487 -0.288 0.000 1.604 99 N HN 0.533 nan 8.380 nan 0.000 0.473 100 V N 2.409 122.029 119.914 -0.490 0.000 2.817 100 V HA 0.485 4.604 4.120 -0.001 0.000 0.303 100 V C -1.003 175.011 176.094 -0.132 0.000 1.151 100 V CA -0.606 61.497 62.300 -0.327 0.000 0.929 100 V CB 0.547 32.338 31.823 -0.052 0.000 1.030 100 V HN 0.804 nan 8.190 nan 0.000 0.427 101 F N 4.657 124.537 119.950 -0.116 0.000 3.079 101 F HA -0.168 4.359 4.527 -0.001 0.000 0.274 101 F C 1.611 177.349 175.800 -0.104 0.000 0.940 101 F CA 1.817 59.756 58.000 -0.102 0.000 0.932 101 F CB -1.408 37.537 39.000 -0.092 0.000 0.891 101 F HN 1.365 nan 8.300 nan 0.000 0.722 102 G N -0.280 108.499 108.800 -0.034 0.000 2.198 102 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.260 102 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.260 102 G C -0.007 174.866 174.900 -0.046 0.000 1.025 102 G CA 0.331 45.405 45.100 -0.043 0.000 0.769 102 G HN 0.580 nan 8.290 nan 0.000 0.507 103 L N -0.534 120.650 121.223 -0.066 0.000 2.323 103 L HA 0.868 5.207 4.340 -0.001 0.000 0.265 103 L C 0.222 177.024 176.870 -0.113 0.000 1.012 103 L CA -0.941 53.846 54.840 -0.089 0.000 0.820 103 L CB 2.410 44.406 42.059 -0.104 0.000 1.334 103 L HN 0.127 nan 8.230 nan 0.000 0.427 104 S N -0.784 114.860 115.700 -0.094 0.000 2.579 104 S HA 0.509 4.978 4.470 -0.001 0.000 0.272 104 S C -1.714 172.898 174.600 0.021 0.000 1.141 104 S CA -0.690 57.523 58.200 0.021 0.000 0.843 104 S CB 1.423 64.680 63.200 0.096 0.000 1.122 104 S HN 0.377 nan 8.310 nan 0.000 0.468 105 W N 1.521 123.020 121.300 0.332 0.000 2.313 105 W HA 0.278 4.938 4.660 -0.001 0.000 0.328 105 W C 1.791 178.493 176.519 0.305 0.000 1.197 105 W CA -0.332 57.177 57.345 0.273 0.000 1.235 105 W CB 0.532 30.139 29.460 0.246 0.000 1.158 105 W HN 0.873 nan 8.180 nan 0.000 0.578 106 T N -1.845 112.970 114.554 0.435 0.000 2.770 106 T HA -0.101 4.249 4.350 -0.001 0.000 0.263 106 T C 0.115 174.857 174.700 0.070 0.000 1.039 106 T CA 1.400 63.662 62.100 0.271 0.000 1.142 106 T CB -0.287 68.684 68.868 0.172 0.000 0.868 106 T HN 0.491 nan 8.240 nan 0.000 0.435 107 D N -0.708 119.516 120.400 -0.293 0.000 2.744 107 D HA 0.283 4.923 4.640 -0.001 0.000 0.304 107 D C 0.661 176.122 176.300 -1.398 0.000 1.179 107 D CA -0.924 52.422 54.000 -1.091 0.000 1.024 107 D CB 0.756 41.242 40.800 -0.523 0.000 1.453 107 D HN 0.053 nan 8.370 nan 0.000 0.529 108 E N -0.774 118.514 120.200 -1.519 0.000 2.285 108 E HA 0.011 4.360 4.350 -0.001 0.000 0.194 108 E C 1.554 177.846 176.600 -0.513 0.000 0.997 108 E CA 0.632 56.414 56.400 -1.030 0.000 0.845 108 E CB -0.340 28.954 29.700 -0.677 0.000 0.782 108 E HN 0.606 nan 8.360 nan 0.000 0.491 109 G N 0.838 109.382 108.800 -0.426 0.000 3.026 109 G HA2 0.011 3.970 3.960 -0.001 0.000 0.208 109 G HA3 0.011 3.970 3.960 -0.001 0.000 0.208 109 G C 0.689 175.449 174.900 -0.233 0.000 1.169 109 G CA -0.206 44.736 45.100 -0.264 0.000 0.788 109 G HN 0.334 nan 8.290 nan 0.000 0.533 110 L N 0.181 121.187 121.223 -0.362 0.000 3.660 110 L HA -0.247 4.092 4.340 -0.001 0.000 0.440 110 L C 1.743 178.764 176.870 0.252 0.000 1.262 110 L CA 0.052 54.641 54.840 -0.419 0.000 0.837 110 L CB -2.417 39.001 42.059 -1.069 0.000 1.689 110 L HN 0.227 nan 8.230 nan 0.000 0.890 111 S N -0.704 115.154 115.700 0.265 0.000 2.371 111 S HA 0.146 4.616 4.470 -0.001 0.000 0.224 111 S C 1.022 175.878 174.600 0.427 0.000 1.029 111 S CA 1.112 59.511 58.200 0.331 0.000 0.978 111 S CB 0.331 63.622 63.200 0.151 0.000 0.833 111 S HN 0.778 nan 8.310 nan 0.000 0.466 112 G N -0.163 108.888 108.800 0.417 0.000 2.672 112 G HA2 0.652 4.611 3.960 -0.001 0.000 0.292 112 G HA3 0.652 4.611 3.960 -0.001 0.000 0.292 112 G C -1.773 173.257 174.900 0.216 0.000 1.375 112 G CA -0.733 44.530 45.100 0.272 0.000 0.890 112 G HN 0.200 nan 8.290 nan 0.000 0.476 113 L N 0.648 121.833 121.223 -0.064 0.000 2.329 113 L HA 0.779 5.118 4.340 -0.001 0.000 0.279 113 L C 0.190 176.994 176.870 -0.110 0.000 1.014 113 L CA -1.006 53.680 54.840 -0.255 0.000 0.814 113 L CB 1.959 43.723 42.059 -0.493 0.000 1.257 113 L HN 0.578 nan 8.230 nan 0.000 0.424 114 V N -0.051 119.819 119.914 -0.073 0.000 3.167 114 V HA 0.865 4.984 4.120 -0.001 0.000 0.310 114 V C -0.098 175.977 176.094 -0.032 0.000 1.207 114 V CA -1.053 61.233 62.300 -0.025 0.000 1.059 114 V CB 1.621 33.462 31.823 0.029 0.000 1.079 114 V HN 0.780 nan 8.190 nan 0.000 0.446 115 A N 0.790 123.600 122.820 -0.017 0.000 2.498 115 A HA 0.786 5.106 4.320 -0.001 0.000 0.239 115 A C 0.667 178.245 177.584 -0.010 0.000 1.068 115 A CA 0.426 52.451 52.037 -0.020 0.000 0.766 115 A CB -0.101 18.891 19.000 -0.013 0.000 1.003 115 A HN 2.231 nan 8.150 nan 0.000 0.497 116 A N 1.762 124.568 122.820 -0.024 0.000 2.301 116 A HA 0.579 4.899 4.320 -0.001 0.000 0.287 116 A C 0.455 178.027 177.584 -0.020 0.000 1.274 116 A CA -0.459 51.563 52.037 -0.024 0.000 0.865 116 A CB 0.074 19.040 19.000 -0.058 0.000 1.324 116 A HN 0.851 nan 8.150 nan 0.000 0.508 117 Q N 0.141 119.927 119.800 -0.024 0.000 2.316 117 Q HA 0.429 4.769 4.340 -0.001 0.000 0.215 117 Q C -1.435 174.546 176.000 -0.033 0.000 1.020 117 Q CA -0.044 55.745 55.803 -0.024 0.000 0.970 117 Q CB 0.771 29.494 28.738 -0.024 0.000 1.187 117 Q HN 0.710 nan 8.270 nan 0.000 0.546 118 D N -0.501 119.882 120.400 -0.028 0.000 2.419 118 D HA 0.222 4.861 4.640 -0.001 0.000 0.219 118 D C -2.354 173.930 176.300 -0.025 0.000 1.349 118 D CA -1.148 52.833 54.000 -0.031 0.000 0.964 118 D CB -0.029 40.753 40.800 -0.029 0.000 1.463 118 D HN 0.207 nan 8.370 nan 0.000 0.573 119 P HA 0.253 nan 4.420 nan 0.000 0.265 119 P C -2.471 174.806 177.300 -0.039 0.000 1.193 119 P CA -0.784 62.295 63.100 -0.034 0.000 0.765 119 P CB 0.018 31.700 31.700 -0.031 0.000 0.823 120 P HA 0.016 nan 4.420 nan 0.000 0.270 120 P C -1.874 175.395 177.300 -0.050 0.000 1.227 120 P CA -0.936 62.129 63.100 -0.058 0.000 0.788 120 P CB -0.476 31.173 31.700 -0.084 0.000 0.926 121 P HA -0.058 nan 4.420 nan 0.000 0.215 121 P C 0.357 177.631 177.300 -0.043 0.000 1.157 121 P CA 1.804 64.877 63.100 -0.045 0.000 0.863 121 P CB -0.019 31.651 31.700 -0.050 0.000 0.787 122 A N -1.474 121.317 122.820 -0.047 0.000 2.437 122 A HA 0.735 5.055 4.320 -0.001 0.000 0.292 122 A C -0.674 176.879 177.584 -0.051 0.000 1.173 122 A CA -0.448 51.566 52.037 -0.038 0.000 0.785 122 A CB 0.519 19.507 19.000 -0.020 0.000 1.351 122 A HN 0.113 nan 8.150 nan 0.000 0.431 123 A N 0.966 123.763 122.820 -0.038 0.000 2.540 123 A HA 0.507 4.826 4.320 -0.001 0.000 0.239 123 A C -2.263 175.275 177.584 -0.077 0.000 1.061 123 A CA -0.531 51.476 52.037 -0.051 0.000 0.758 123 A CB -1.021 17.961 19.000 -0.029 0.000 0.991 123 A HN 0.496 nan 8.150 nan 0.000 0.502 124 P HA 0.040 nan 4.420 nan 0.000 0.267 124 P C -0.377 176.839 177.300 -0.140 0.000 1.200 124 P CA 0.187 63.173 63.100 -0.190 0.000 0.772 124 P CB 0.170 31.732 31.700 -0.231 0.000 0.855 125 Y N 2.511 122.622 120.300 -0.315 0.000 2.597 125 Y HA 0.036 4.586 4.550 -0.001 0.000 0.336 125 Y C 0.221 176.035 175.900 -0.144 0.000 1.216 125 Y CA 0.405 58.416 58.100 -0.149 0.000 1.463 125 Y CB 0.391 38.843 38.460 -0.013 0.000 1.303 125 Y HN 0.297 nan 8.280 nan 0.000 0.576 126 Q N 8.084 127.459 119.800 -0.708 0.000 2.425 126 Q HA 0.322 4.662 4.340 -0.001 0.000 0.254 126 Q C -2.331 173.124 176.000 -0.908 0.000 1.032 126 Q CA -1.949 53.456 55.803 -0.664 0.000 0.798 126 Q CB 1.180 29.754 28.738 -0.274 0.000 1.210 126 Q HN 0.601 nan 8.270 nan 0.000 0.491 127 P HA 0.068 nan 4.420 nan 0.000 0.269 127 P C -1.073 176.319 177.300 0.152 0.000 1.217 127 P CA 0.048 63.002 63.100 -0.242 0.000 0.783 127 P CB 0.672 32.412 31.700 0.067 0.000 0.898 128 A N 1.078 124.064 122.820 0.276 0.000 2.350 128 A HA 0.553 4.873 4.320 -0.001 0.000 0.324 128 A C -0.121 177.424 177.584 -0.066 0.000 1.118 128 A CA -0.505 51.637 52.037 0.175 0.000 0.783 128 A CB 1.049 20.125 19.000 0.127 0.000 1.236 128 A HN 0.411 nan 8.150 nan 0.000 0.457 129 S N 1.624 116.983 115.700 -0.568 0.000 2.499 129 S HA 0.456 4.926 4.470 -0.001 0.000 0.275 129 S C 0.782 175.065 174.600 -0.528 0.000 1.257 129 S CA 0.500 58.107 58.200 -0.989 0.000 1.050 129 S CB -0.025 62.352 63.200 -1.371 0.000 0.937 129 S HN 2.446 nan 8.310 nan 0.000 0.490 130 A N 3.071 125.530 122.820 -0.602 0.000 2.466 130 A HA -0.187 4.133 4.320 -0.001 0.000 0.295 130 A C 0.124 177.339 177.584 -0.616 0.000 1.465 130 A CA 1.390 52.940 52.037 -0.812 0.000 0.744 130 A CB -2.071 16.737 19.000 -0.321 0.000 1.098 130 A HN 0.939 nan 8.150 nan 0.000 0.402 131 Q N -1.057 118.366 119.800 -0.627 0.000 2.365 131 Q HA 0.635 4.974 4.340 -0.001 0.000 0.269 131 Q C -0.635 175.258 176.000 -0.179 0.000 1.061 131 Q CA -0.667 55.015 55.803 -0.201 0.000 0.816 131 Q CB 0.993 29.708 28.738 -0.038 0.000 1.325 131 Q HN 0.560 nan 8.270 nan 0.000 0.446 132 W N 1.762 123.168 121.300 0.176 0.000 2.315 132 W HA 0.527 5.186 4.660 -0.001 0.000 0.316 132 W C -0.267 176.366 176.519 0.190 0.000 1.211 132 W CA -0.251 57.211 57.345 0.195 0.000 1.201 132 W CB 1.616 31.169 29.460 0.155 0.000 1.184 132 W HN 0.453 nan 8.180 nan 0.000 0.544 133 S N 1.633 117.655 115.700 0.538 0.000 2.526 133 S HA 0.166 4.635 4.470 -0.001 0.000 0.293 133 S C -1.318 173.526 174.600 0.407 0.000 1.092 133 S CA -0.821 57.633 58.200 0.423 0.000 0.980 133 S CB 1.677 65.116 63.200 0.398 0.000 1.048 133 S HN 0.401 nan 8.310 nan 0.000 0.483 134 D N 1.691 122.266 120.400 0.291 0.000 2.317 134 D HA 0.295 4.935 4.640 -0.001 0.000 0.234 134 D C 0.577 177.027 176.300 0.249 0.000 1.112 134 D CA -0.489 53.658 54.000 0.244 0.000 0.840 134 D CB 0.692 41.592 40.800 0.167 0.000 1.078 134 D HN 0.410 nan 8.370 nan 0.000 0.486 135 L N 3.374 124.762 121.223 0.275 0.000 2.418 135 L HA 0.065 4.405 4.340 -0.001 0.000 0.218 135 L C 2.050 179.109 176.870 0.314 0.000 1.125 135 L CA 0.160 55.190 54.840 0.316 0.000 0.835 135 L CB -0.007 42.199 42.059 0.245 0.000 0.953 135 L HN 0.438 nan 8.230 nan 0.000 0.454 136 L N 0.009 121.347 121.223 0.190 0.000 2.551 136 L HA -0.083 4.257 4.340 -0.001 0.000 0.228 136 L C 1.732 178.680 176.870 0.131 0.000 1.153 136 L CA 0.204 55.123 54.840 0.132 0.000 0.851 136 L CB -0.506 41.607 42.059 0.089 0.000 0.959 136 L HN 0.357 nan 8.230 nan 0.000 0.451 137 N N -0.357 118.435 118.700 0.154 0.000 2.364 137 N HA -0.178 4.562 4.740 -0.001 0.000 0.183 137 N C 0.379 175.960 175.510 0.119 0.000 1.022 137 N CA 0.729 53.851 53.050 0.120 0.000 0.883 137 N CB -0.170 38.391 38.487 0.123 0.000 0.965 137 N HN 0.203 nan 8.380 nan 0.000 0.438 138 Y N 1.908 122.201 120.300 -0.012 0.000 2.486 138 Y HA 0.202 4.751 4.550 -0.001 0.000 0.348 138 Y C -1.570 174.247 175.900 -0.139 0.000 1.000 138 Y CA -2.523 55.484 58.100 -0.155 0.000 1.253 138 Y CB 1.167 39.406 38.460 -0.368 0.000 1.140 138 Y HN 0.006 nan 8.280 nan 0.000 0.526 139 P HA -0.212 nan 4.420 nan 0.000 0.216 139 P C 1.476 178.574 177.300 -0.337 0.000 1.150 139 P CA 1.712 64.624 63.100 -0.313 0.000 0.843 139 P CB 0.171 31.681 31.700 -0.316 0.000 0.787 140 R N -1.366 118.774 120.500 -0.600 0.000 2.120 140 R HA -0.137 4.203 4.340 -0.001 0.000 0.234 140 R C 1.767 178.003 176.300 -0.107 0.000 1.123 140 R CA 1.357 57.219 56.100 -0.396 0.000 0.975 140 R CB -0.400 29.583 30.300 -0.528 0.000 0.866 140 R HN 0.209 nan 8.270 nan 0.000 0.446 141 W N -0.063 121.156 121.300 -0.135 0.000 2.523 141 W HA 0.202 4.862 4.660 -0.001 0.000 0.278 141 W C 2.191 178.601 176.519 -0.182 0.000 1.236 141 W CA 0.354 57.616 57.345 -0.139 0.000 1.306 141 W CB -0.835 28.569 29.460 -0.095 0.000 1.101 141 W HN 0.212 nan 8.180 nan 0.000 0.577 142 A N 1.097 123.957 122.820 0.067 0.000 1.883 142 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 142 A C 1.917 179.478 177.584 -0.038 0.000 1.186 142 A CA 1.996 54.026 52.037 -0.011 0.000 0.624 142 A CB -0.932 18.056 19.000 -0.020 0.000 0.822 142 A HN 0.316 nan 8.150 nan 0.000 0.444 143 N N -0.816 117.853 118.700 -0.050 0.000 2.333 143 N HA -0.022 4.718 4.740 -0.001 0.000 0.178 143 N C 0.207 175.687 175.510 -0.051 0.000 1.018 143 N CA 0.502 53.518 53.050 -0.056 0.000 0.882 143 N CB 0.100 38.544 38.487 -0.072 0.000 0.984 143 N HN 0.389 nan 8.380 nan 0.000 0.434 144 R N 1.259 121.737 120.500 -0.036 0.000 2.664 144 R HA 0.258 4.597 4.340 -0.001 0.000 0.281 144 R C 0.694 176.969 176.300 -0.041 0.000 1.383 144 R CA -0.180 55.900 56.100 -0.033 0.000 1.563 144 R CB 0.971 31.257 30.300 -0.023 0.000 1.131 144 R HN 0.089 nan 8.270 nan 0.000 0.599 145 R N 1.133 121.579 120.500 -0.090 0.000 2.120 145 R HA -0.073 4.266 4.340 -0.001 0.000 0.234 145 R C 1.738 177.916 176.300 -0.203 0.000 1.123 145 R CA 1.482 57.477 56.100 -0.175 0.000 0.975 145 R CB 0.166 30.366 30.300 -0.166 0.000 0.866 145 R HN 0.313 nan 8.270 nan 0.000 0.446 146 R N 0.171 120.590 120.500 -0.134 0.000 2.105 146 R HA -0.164 4.175 4.340 -0.001 0.000 0.239 146 R C 2.031 178.233 176.300 -0.163 0.000 1.135 146 R CA 1.888 57.911 56.100 -0.128 0.000 0.967 146 R CB -0.137 30.111 30.300 -0.086 0.000 0.861 146 R HN 0.403 nan 8.270 nan 0.000 0.442 147 E N 0.291 120.405 120.200 -0.144 0.000 2.058 147 E HA -0.232 4.118 4.350 -0.001 0.000 0.194 147 E C 1.899 178.260 176.600 -0.397 0.000 0.997 147 E CA 1.163 57.465 56.400 -0.163 0.000 0.801 147 E CB -0.116 29.591 29.700 0.013 0.000 0.746 147 E HN 0.112 nan 8.360 nan 0.000 0.450 148 L N 1.399 122.261 121.223 -0.602 0.000 2.056 148 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 148 L C 2.035 178.532 176.870 -0.621 0.000 1.078 148 L CA 1.737 55.946 54.840 -1.051 0.000 0.749 148 L CB -0.367 40.983 42.059 -1.183 0.000 0.901 148 L HN 0.068 nan 8.230 nan 0.000 0.433 149 Q N -0.835 118.727 119.800 -0.398 0.000 2.170 149 Q HA -0.162 4.177 4.340 -0.001 0.000 0.203 149 Q C 2.220 178.144 176.000 -0.127 0.000 0.976 149 Q CA 1.743 57.443 55.803 -0.172 0.000 0.858 149 Q CB -0.308 28.364 28.738 -0.110 0.000 0.907 149 Q HN 0.761 nan 8.270 nan 0.000 0.433 150 S N 0.673 116.253 115.700 -0.201 0.000 2.406 150 S HA -0.064 4.406 4.470 -0.001 0.000 0.228 150 S C 1.711 176.186 174.600 -0.208 0.000 1.020 150 S CA 0.689 58.785 58.200 -0.174 0.000 0.965 150 S CB 0.008 63.106 63.200 -0.169 0.000 0.798 150 S HN 0.222 nan 8.310 nan 0.000 0.488 151 K N -0.612 119.563 120.400 -0.375 0.000 2.314 151 K HA 0.136 4.455 4.320 -0.001 0.000 0.198 151 K C 1.748 178.200 176.600 -0.246 0.000 1.045 151 K CA 0.517 56.510 56.287 -0.492 0.000 0.988 151 K CB -0.251 31.582 32.500 -1.111 0.000 0.783 151 K HN 0.372 nan 8.250 nan 0.000 0.484 152 Y N 2.312 122.432 120.300 -0.301 0.000 2.224 152 Y HA -0.104 4.445 4.550 -0.001 0.000 0.289 152 Y C -1.215 174.674 175.900 -0.019 0.000 1.146 152 Y CA 0.717 58.729 58.100 -0.147 0.000 1.182 152 Y CB -0.720 37.719 38.460 -0.035 0.000 0.983 152 Y HN 0.021 nan 8.280 nan 0.000 0.524 153 P HA -0.189 nan 4.420 nan 0.000 0.218 153 P C 1.877 179.137 177.300 -0.068 0.000 1.148 153 P CA 1.584 64.630 63.100 -0.091 0.000 0.822 153 P CB -0.066 31.621 31.700 -0.022 0.000 0.784 154 L N -1.463 119.755 121.223 -0.009 0.000 2.044 154 L HA -0.114 4.226 4.340 -0.001 0.000 0.205 154 L C 2.362 179.246 176.870 0.024 0.000 1.075 154 L CA 1.216 56.109 54.840 0.088 0.000 0.747 154 L CB -0.724 41.456 42.059 0.201 0.000 0.903 154 L HN -0.050 nan 8.230 nan 0.000 0.435 155 L N -0.855 120.294 121.223 -0.123 0.000 2.083 155 L HA -0.259 4.081 4.340 -0.001 0.000 0.209 155 L C 2.500 179.365 176.870 -0.008 0.000 1.083 155 L CA 0.793 55.604 54.840 -0.048 0.000 0.752 155 L CB -0.457 41.571 42.059 -0.052 0.000 0.899 155 L HN 0.280 nan 8.230 nan 0.000 0.433 156 L N 0.193 121.212 121.223 -0.340 0.000 2.044 156 L HA -0.160 4.179 4.340 -0.001 0.000 0.205 156 L C 2.754 179.618 176.870 -0.009 0.000 1.075 156 L CA 1.570 56.251 54.840 -0.265 0.000 0.747 156 L CB -0.644 41.150 42.059 -0.442 0.000 0.903 156 L HN 0.129 nan 8.230 nan 0.000 0.435 157 R N -0.947 119.565 120.500 0.020 0.000 2.113 157 R HA -0.198 4.142 4.340 -0.001 0.000 0.244 157 R C 2.219 178.596 176.300 0.128 0.000 1.142 157 R CA 2.037 58.192 56.100 0.092 0.000 0.953 157 R CB -0.414 29.950 30.300 0.105 0.000 0.860 157 R HN 0.414 nan 8.270 nan 0.000 0.438 158 S N -0.313 115.506 115.700 0.198 0.000 2.359 158 S HA -0.148 4.321 4.470 -0.001 0.000 0.224 158 S C 1.869 176.507 174.600 0.063 0.000 1.035 158 S CA 1.867 60.197 58.200 0.217 0.000 1.018 158 S CB -0.390 63.109 63.200 0.498 0.000 0.876 158 S HN 0.517 nan 8.310 nan 0.000 0.448 159 T N 2.748 117.297 114.554 -0.007 0.000 2.665 159 T HA -0.057 4.293 4.350 -0.001 0.000 0.268 159 T C 1.694 176.397 174.700 0.006 0.000 1.035 159 T CA 1.175 63.197 62.100 -0.130 0.000 1.151 159 T CB -0.425 68.392 68.868 -0.085 0.000 0.862 159 T HN 0.266 nan 8.240 nan 0.000 0.438 160 L N -0.055 121.227 121.223 0.098 0.000 2.156 160 L HA 0.046 4.385 4.340 -0.001 0.000 0.208 160 L C 2.384 179.271 176.870 0.029 0.000 1.095 160 L CA 0.536 55.450 54.840 0.124 0.000 0.770 160 L CB -0.416 41.743 42.059 0.168 0.000 0.914 160 L HN 0.217 nan 8.230 nan 0.000 0.439 161 L N -0.681 120.562 121.223 0.033 0.000 2.072 161 L HA -0.106 4.234 4.340 -0.001 0.000 0.205 161 L C 2.568 179.459 176.870 0.035 0.000 1.079 161 L CA 1.600 56.443 54.840 0.006 0.000 0.752 161 L CB -0.297 41.794 42.059 0.052 0.000 0.906 161 L HN 0.062 nan 8.230 nan 0.000 0.436 162 S N -0.116 115.620 115.700 0.060 0.000 2.382 162 S HA -0.101 4.368 4.470 -0.001 0.000 0.228 162 S C 2.051 176.748 174.600 0.161 0.000 1.027 162 S CA 1.018 59.274 58.200 0.094 0.000 0.991 162 S CB -0.558 62.636 63.200 -0.009 0.000 0.823 162 S HN 0.619 nan 8.310 nan 0.000 0.469 163 A N 1.330 124.199 122.820 0.081 0.000 2.014 163 A HA 0.161 4.481 4.320 -0.001 0.000 0.218 163 A C 1.063 178.578 177.584 -0.115 0.000 1.163 163 A CA 0.744 52.726 52.037 -0.091 0.000 0.652 163 A CB -0.307 18.637 19.000 -0.092 0.000 0.808 163 A HN 0.308 nan 8.150 nan 0.000 0.449 164 M N -0.513 119.019 119.600 -0.113 0.000 2.243 164 M HA 0.161 4.641 4.480 -0.001 0.000 0.341 164 M C 1.319 177.566 176.300 -0.088 0.000 1.130 164 M CA 0.125 55.337 55.300 -0.148 0.000 1.162 164 M CB 0.534 33.035 32.600 -0.164 0.000 1.497 164 M HN 0.407 nan 8.290 nan 0.000 0.456 165 R N 1.056 121.501 120.500 -0.092 0.000 2.100 165 R HA 0.128 4.467 4.340 -0.001 0.000 0.220 165 R C 0.846 177.119 176.300 -0.045 0.000 1.091 165 R CA 1.306 57.375 56.100 -0.051 0.000 0.986 165 R CB 0.384 30.655 30.300 -0.048 0.000 0.888 165 R HN 0.816 nan 8.270 nan 0.000 0.444 166 A N -0.512 122.253 122.820 -0.092 0.000 3.044 166 A HA 0.557 4.877 4.320 -0.001 0.000 0.200 166 A C 0.438 177.867 177.584 -0.260 0.000 1.557 166 A CA 0.055 52.030 52.037 -0.103 0.000 1.647 166 A CB -0.641 18.290 19.000 -0.114 0.000 1.580 166 A HN 0.336 nan 8.150 nan 0.000 0.503 167 G N -0.598 107.906 108.800 -0.494 0.000 2.557 167 G HA2 0.526 4.485 3.960 -0.001 0.000 0.292 167 G HA3 0.526 4.485 3.960 -0.001 0.000 0.292 167 G C -2.825 171.658 174.900 -0.694 0.000 1.237 167 G CA -1.285 43.092 45.100 -1.205 0.000 0.978 167 G HN 0.366 nan 8.290 nan 0.000 0.498 168 P HA 0.175 nan 4.420 nan 0.000 0.269 168 P C -0.123 177.242 177.300 0.109 0.000 1.209 168 P CA -0.361 62.608 63.100 -0.218 0.000 0.776 168 P CB 1.095 32.726 31.700 -0.116 0.000 0.876 169 V N 4.241 124.211 119.914 0.092 0.000 2.644 169 V HA 0.311 4.430 4.120 -0.001 0.000 0.295 169 V C -0.222 175.987 176.094 0.192 0.000 1.053 169 V CA -0.551 61.857 62.300 0.181 0.000 0.987 169 V CB 0.493 32.402 31.823 0.143 0.000 1.006 169 V HN 0.263 nan 8.190 nan 0.000 0.472 170 L N 5.878 127.214 121.223 0.187 0.000 2.325 170 L HA 0.450 4.790 4.340 -0.001 0.000 0.278 170 L C -0.967 176.077 176.870 0.290 0.000 1.023 170 L CA -0.748 54.163 54.840 0.118 0.000 0.811 170 L CB 1.584 43.557 42.059 -0.143 0.000 1.249 170 L HN 0.688 nan 8.230 nan 0.000 0.431 171 Y N 3.183 123.607 120.300 0.206 0.000 2.535 171 Y HA 0.420 4.970 4.550 -0.001 0.000 0.349 171 Y C -0.617 175.360 175.900 0.128 0.000 0.992 171 Y CA -0.574 57.678 58.100 0.254 0.000 1.248 171 Y CB 0.803 39.468 38.460 0.341 0.000 1.124 171 Y HN 0.243 nan 8.280 nan 0.000 0.520 172 V N 6.798 126.606 119.914 -0.176 0.000 2.334 172 V HA 0.338 4.458 4.120 -0.001 0.000 0.281 172 V C -0.483 175.663 176.094 0.087 0.000 1.016 172 V CA -0.766 61.537 62.300 0.004 0.000 0.832 172 V CB 1.261 33.042 31.823 -0.069 0.000 0.999 172 V HN 0.734 nan 8.190 nan 0.000 0.439 173 E N 2.934 123.348 120.200 0.358 0.000 2.272 173 E HA 0.692 5.041 4.350 -0.001 0.000 0.269 173 E C -0.749 176.117 176.600 0.444 0.000 0.877 173 E CA -0.473 56.194 56.400 0.444 0.000 0.755 173 E CB 2.267 32.336 29.700 0.614 0.000 1.192 173 E HN 0.813 nan 8.360 nan 0.000 0.422 174 T N 0.401 115.132 114.554 0.296 0.000 2.907 174 T HA 0.786 5.136 4.350 -0.001 0.000 0.292 174 T C -0.976 173.894 174.700 0.284 0.000 1.043 174 T CA -0.850 61.337 62.100 0.145 0.000 1.003 174 T CB 0.767 69.672 68.868 0.062 0.000 1.084 174 T HN 0.554 nan 8.240 nan 0.000 0.483 175 W N -0.320 121.018 121.300 0.062 0.000 3.118 175 W HA 0.706 5.365 4.660 -0.001 0.000 0.328 175 W C -3.412 173.124 176.519 0.028 0.000 1.239 175 W CA -2.840 54.512 57.345 0.012 0.000 1.176 175 W CB -0.240 29.228 29.460 0.013 0.000 1.433 175 W HN 0.519 nan 8.180 nan 0.000 0.562 176 P HA -0.069 nan 4.420 nan 0.000 0.266 176 P C 0.237 177.588 177.300 0.086 0.000 1.195 176 P CA 0.500 63.652 63.100 0.087 0.000 0.768 176 P CB 0.461 32.209 31.700 0.081 0.000 0.838 177 N N 4.058 122.771 118.700 0.021 0.000 2.724 177 N HA -0.226 4.514 4.740 -0.001 0.000 0.293 177 N C 0.406 175.911 175.510 -0.008 0.000 1.090 177 N CA 0.744 53.803 53.050 0.015 0.000 0.793 177 N CB -0.133 38.387 38.487 0.054 0.000 0.958 177 N HN 0.492 nan 8.380 nan 0.000 0.575 178 M N 1.006 120.479 119.600 -0.212 0.000 2.466 178 M HA 0.210 4.689 4.480 -0.001 0.000 0.265 178 M C 0.560 176.786 176.300 -0.123 0.000 1.122 178 M CA 0.793 55.802 55.300 -0.484 0.000 1.157 178 M CB 0.229 32.038 32.600 -1.318 0.000 1.352 178 M HN 0.165 nan 8.290 nan 0.000 0.464 179 I N 3.378 123.917 120.570 -0.051 0.000 2.313 179 I HA 0.305 4.475 4.170 -0.001 0.000 0.286 179 I C -0.557 175.658 176.117 0.164 0.000 1.091 179 I CA -0.519 60.839 61.300 0.097 0.000 1.216 179 I CB 0.247 38.259 38.000 0.020 0.000 1.434 179 I HN 0.391 nan 8.210 nan 0.000 0.487 180 S N 3.130 118.944 115.700 0.191 0.000 2.625 180 S HA 0.908 5.377 4.470 -0.001 0.000 0.271 180 S C 0.058 174.764 174.600 0.177 0.000 1.161 180 S CA -0.245 58.060 58.200 0.175 0.000 0.820 180 S CB 1.953 65.237 63.200 0.140 0.000 1.137 180 S HN 0.937 nan 8.310 nan 0.000 0.470 181 G N 1.939 110.827 108.800 0.146 0.000 2.550 181 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.277 181 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.277 181 G C 0.558 175.539 174.900 0.134 0.000 1.190 181 G CA 0.425 45.599 45.100 0.123 0.000 0.971 181 G HN 0.898 nan 8.290 nan 0.000 0.559 182 R N -0.437 120.132 120.500 0.115 0.000 2.120 182 R HA 0.003 4.343 4.340 -0.001 0.000 0.234 182 R C 2.724 179.131 176.300 0.180 0.000 1.123 182 R CA 1.578 57.747 56.100 0.116 0.000 0.975 182 R CB -0.405 29.932 30.300 0.062 0.000 0.866 182 R HN 0.370 nan 8.270 nan 0.000 0.446 183 L N 0.904 122.247 121.223 0.201 0.000 2.046 183 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 183 L C 2.265 179.399 176.870 0.440 0.000 1.077 183 L CA 1.911 56.932 54.840 0.302 0.000 0.747 183 L CB -0.788 41.455 42.059 0.307 0.000 0.896 183 L HN 0.129 nan 8.230 nan 0.000 0.432 184 A N -0.924 122.105 122.820 0.348 0.000 1.933 184 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 184 A C 1.930 179.697 177.584 0.306 0.000 1.175 184 A CA 1.879 54.133 52.037 0.362 0.000 0.628 184 A CB -0.706 18.481 19.000 0.312 0.000 0.814 184 A HN 0.548 nan 8.150 nan 0.000 0.444 185 D N -1.790 118.750 120.400 0.233 0.000 2.183 185 D HA -0.123 4.516 4.640 -0.001 0.000 0.203 185 D C 1.545 177.930 176.300 0.142 0.000 0.969 185 D CA 0.935 55.031 54.000 0.160 0.000 0.842 185 D CB -0.401 40.472 40.800 0.122 0.000 0.957 185 D HN 0.758 nan 8.370 nan 0.000 0.484 186 W N 0.949 122.252 121.300 0.004 0.000 2.378 186 W HA -0.163 4.496 4.660 -0.001 0.000 0.313 186 W C 1.918 178.338 176.519 -0.165 0.000 1.197 186 W CA 1.138 58.426 57.345 -0.094 0.000 1.304 186 W CB -0.686 28.680 29.460 -0.156 0.000 1.148 186 W HN -0.191 nan 8.180 nan 0.000 0.494 187 F N 0.330 120.164 119.950 -0.195 0.000 2.091 187 F HA -0.315 4.211 4.527 -0.000 0.000 0.299 187 F C 2.569 178.018 175.800 -0.585 0.000 1.103 187 F CA 2.415 59.999 58.000 -0.692 0.000 1.228 187 F CB -1.366 36.989 39.000 -1.075 0.000 0.984 187 F HN -0.086 nan 8.300 nan 0.000 0.477 188 M N 0.527 120.136 119.600 0.015 0.000 2.149 188 M HA -0.209 4.270 4.480 -0.001 0.000 0.261 188 M C 2.428 178.739 176.300 0.018 0.000 1.064 188 M CA 2.000 57.423 55.300 0.204 0.000 1.102 188 M CB -0.792 31.894 32.600 0.143 0.000 1.369 188 M HN 0.146 nan 8.290 nan 0.000 0.408 189 S N -0.703 114.923 115.700 -0.123 0.000 2.493 189 S HA -0.180 4.289 4.470 -0.001 0.000 0.243 189 S C 1.367 175.844 174.600 -0.205 0.000 0.991 189 S CA 1.403 59.502 58.200 -0.168 0.000 0.957 189 S CB -0.608 62.458 63.200 -0.224 0.000 0.756 189 S HN 0.790 nan 8.310 nan 0.000 0.521 190 Q N -0.708 118.939 119.800 -0.256 0.000 2.118 190 Q HA 0.237 4.576 4.340 -0.001 0.000 0.219 190 Q C -0.795 175.145 176.000 -0.101 0.000 0.794 190 Q CA -0.569 55.088 55.803 -0.243 0.000 1.035 190 Q CB 0.200 28.649 28.738 -0.481 0.000 1.177 190 Q HN 0.696 nan 8.270 nan 0.000 0.478 191 Y N 1.679 121.931 120.300 -0.080 0.000 2.969 191 Y HA -0.048 4.502 4.550 -0.001 0.000 0.339 191 Y C 1.419 177.280 175.900 -0.066 0.000 1.272 191 Y CA 2.240 60.335 58.100 -0.008 0.000 1.577 191 Y CB 0.238 38.742 38.460 0.074 0.000 1.234 191 Y HN 0.511 nan 8.280 nan 0.000 0.590 192 G N 3.156 111.503 108.800 -0.755 0.000 2.162 192 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.260 192 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.260 192 G C -0.037 174.670 174.900 -0.320 0.000 0.976 192 G CA 0.175 44.917 45.100 -0.597 0.000 0.655 192 G HN 0.693 nan 8.290 nan 0.000 0.533 193 N N 0.368 118.924 118.700 -0.240 0.000 2.493 193 N HA 0.328 5.067 4.740 -0.001 0.000 0.275 193 N C 0.001 175.509 175.510 -0.002 0.000 1.186 193 N CA -0.534 52.458 53.050 -0.097 0.000 0.978 193 N CB 0.491 38.932 38.487 -0.075 0.000 1.184 193 N HN 0.347 nan 8.380 nan 0.000 0.487 194 N N 1.188 119.926 118.700 0.063 0.000 2.472 194 N HA 0.005 4.744 4.740 -0.001 0.000 0.277 194 N C 0.820 176.467 175.510 0.229 0.000 1.081 194 N CA -0.189 52.960 53.050 0.165 0.000 0.973 194 N CB 0.525 39.077 38.487 0.108 0.000 1.105 194 N HN 0.385 nan 8.380 nan 0.000 0.470 195 F N 4.581 124.648 119.950 0.195 0.000 2.085 195 F HA -0.269 4.257 4.527 -0.001 0.000 0.299 195 F C 1.866 177.615 175.800 -0.085 0.000 1.096 195 F CA 1.636 59.627 58.000 -0.015 0.000 1.227 195 F CB -0.258 38.517 39.000 -0.374 0.000 0.983 195 F HN 0.370 nan 8.300 nan 0.000 0.482 196 V N 0.313 120.147 119.914 -0.133 0.000 2.427 196 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 196 V C 2.066 178.036 176.094 -0.207 0.000 1.051 196 V CA 2.124 64.282 62.300 -0.235 0.000 1.048 196 V CB -0.702 31.111 31.823 -0.015 0.000 0.666 196 V HN 0.315 nan 8.190 nan 0.000 0.456 197 D N -0.444 119.896 120.400 -0.101 0.000 2.123 197 D HA -0.123 4.516 4.640 -0.001 0.000 0.200 197 D C 2.187 178.432 176.300 -0.092 0.000 0.976 197 D CA 1.215 55.174 54.000 -0.069 0.000 0.831 197 D CB -0.195 40.593 40.800 -0.021 0.000 0.974 197 D HN 0.340 nan 8.370 nan 0.000 0.469 198 M N 0.221 119.755 119.600 -0.111 0.000 2.082 198 M HA -0.197 4.282 4.480 -0.001 0.000 0.258 198 M C 2.483 178.710 176.300 -0.121 0.000 1.069 198 M CA 1.272 56.521 55.300 -0.085 0.000 1.102 198 M CB -0.259 32.330 32.600 -0.019 0.000 1.336 198 M HN 0.106 nan 8.290 nan 0.000 0.404 199 C N -0.135 118.956 119.300 -0.348 0.000 2.432 199 C HA -0.135 4.324 4.460 -0.001 0.000 0.277 199 C C 3.021 177.906 174.990 -0.176 0.000 1.249 199 C CA 0.958 59.774 59.018 -0.337 0.000 1.725 199 C CB -1.480 25.910 27.740 -0.582 0.000 2.028 199 C HN 0.672 nan 8.230 nan 0.000 0.477 200 A N 0.196 122.924 122.820 -0.153 0.000 1.940 200 A HA -0.242 4.078 4.320 -0.001 0.000 0.219 200 A C 2.260 179.818 177.584 -0.044 0.000 1.176 200 A CA 1.818 53.806 52.037 -0.082 0.000 0.631 200 A CB -0.640 18.323 19.000 -0.062 0.000 0.814 200 A HN 0.663 nan 8.150 nan 0.000 0.446 201 R N -0.905 119.580 120.500 -0.026 0.000 2.120 201 R HA 0.008 4.348 4.340 -0.001 0.000 0.234 201 R C 1.944 178.267 176.300 0.038 0.000 1.123 201 R CA 1.223 57.336 56.100 0.020 0.000 0.975 201 R CB -0.276 30.053 30.300 0.049 0.000 0.866 201 R HN 0.558 nan 8.270 nan 0.000 0.446 202 L N -0.782 120.459 121.223 0.029 0.000 2.131 202 L HA -0.092 4.248 4.340 -0.001 0.000 0.206 202 L C 2.171 178.994 176.870 -0.078 0.000 1.087 202 L CA 1.103 55.941 54.840 -0.004 0.000 0.767 202 L CB -0.179 41.874 42.059 -0.010 0.000 0.917 202 L HN 0.201 nan 8.230 nan 0.000 0.441 203 T N -1.069 113.441 114.554 -0.072 0.000 2.746 203 T HA -0.271 4.078 4.350 -0.001 0.000 0.267 203 T C 1.661 176.315 174.700 -0.078 0.000 1.039 203 T CA 1.527 63.581 62.100 -0.077 0.000 1.142 203 T CB -0.092 68.743 68.868 -0.054 0.000 0.866 203 T HN 0.240 nan 8.240 nan 0.000 0.444 204 Q N 2.048 121.815 119.800 -0.055 0.000 1.956 204 Q HA -0.140 4.200 4.340 -0.001 0.000 0.208 204 Q C 2.238 178.190 176.000 -0.079 0.000 0.998 204 Q CA 2.589 58.365 55.803 -0.045 0.000 0.855 204 Q CB -0.630 28.098 28.738 -0.016 0.000 0.928 204 Q HN 0.568 nan 8.270 nan 0.000 0.418 205 S N -1.572 114.075 115.700 -0.089 0.000 2.660 205 S HA -0.013 4.456 4.470 -0.001 0.000 0.228 205 S C 1.460 175.803 174.600 -0.428 0.000 0.966 205 S CA 0.524 58.642 58.200 -0.136 0.000 0.940 205 S CB -0.602 62.612 63.200 0.024 0.000 0.773 205 S HN 0.489 nan 8.310 nan 0.000 0.535 206 C N 1.455 120.518 119.300 -0.395 0.000 2.791 206 C HA 0.326 4.786 4.460 -0.001 0.000 0.270 206 C C 2.626 177.464 174.990 -0.252 0.000 1.257 206 C CA -0.075 58.672 59.018 -0.452 0.000 1.699 206 C CB -1.620 25.917 27.740 -0.338 0.000 1.904 206 C HN 0.656 nan 8.230 nan 0.000 0.603 207 S N 2.244 117.840 115.700 -0.172 0.000 2.354 207 S HA -0.181 4.288 4.470 -0.001 0.000 0.219 207 S C 1.012 175.550 174.600 -0.102 0.000 1.035 207 S CA 1.291 59.429 58.200 -0.102 0.000 1.037 207 S CB -0.541 62.623 63.200 -0.061 0.000 0.956 207 S HN 0.794 nan 8.310 nan 0.000 0.428 208 N N 2.640 121.280 118.700 -0.099 0.000 2.410 208 N HA 0.052 4.791 4.740 -0.001 0.000 0.281 208 N C -0.451 174.982 175.510 -0.128 0.000 1.241 208 N CA 0.059 53.062 53.050 -0.079 0.000 0.998 208 N CB -0.508 37.959 38.487 -0.033 0.000 1.376 208 N HN 0.413 nan 8.380 nan 0.000 0.490 209 M N 2.305 121.837 119.600 -0.113 0.000 2.103 209 M HA 0.510 4.989 4.480 -0.001 0.000 0.350 209 M C -2.486 173.788 176.300 -0.044 0.000 1.100 209 M CA -1.759 53.465 55.300 -0.127 0.000 1.042 209 M CB 1.679 34.187 32.600 -0.154 0.000 1.368 209 M HN 0.121 nan 8.290 nan 0.000 0.404 210 P HA 0.243 nan 4.420 nan 0.000 0.219 210 P C -0.771 176.578 177.300 0.083 0.000 1.847 210 P CA -0.271 62.857 63.100 0.046 0.000 1.059 210 P CB 0.192 31.934 31.700 0.070 0.000 1.900 211 V N 2.067 121.996 119.914 0.025 0.000 2.276 211 V HA 0.123 4.243 4.120 -0.001 0.000 0.249 211 V C 0.795 176.893 176.094 0.007 0.000 1.160 211 V CA -0.212 62.106 62.300 0.030 0.000 1.042 211 V CB -0.672 31.137 31.823 -0.022 0.000 1.224 211 V HN 0.328 nan 8.190 nan 0.000 0.496 212 E N 5.554 125.759 120.200 0.009 0.000 2.266 212 E HA 0.335 4.685 4.350 -0.001 0.000 0.277 212 E C -2.462 174.115 176.600 -0.039 0.000 1.018 212 E CA -2.042 54.346 56.400 -0.020 0.000 0.840 212 E CB 0.991 30.677 29.700 -0.023 0.000 1.082 212 E HN 0.391 nan 8.360 nan 0.000 0.395 213 P HA -0.107 nan 4.420 nan 0.000 0.262 213 P C -0.444 176.800 177.300 -0.092 0.000 1.182 213 P CA 0.633 63.684 63.100 -0.082 0.000 0.761 213 P CB 0.324 31.973 31.700 -0.084 0.000 0.795 214 D N 0.317 120.646 120.400 -0.118 0.000 3.028 214 D HA -0.125 4.515 4.640 -0.001 0.000 0.207 214 D C 0.856 177.093 176.300 -0.104 0.000 1.100 214 D CA 1.533 55.449 54.000 -0.141 0.000 0.995 214 D CB -1.139 39.569 40.800 -0.154 0.000 1.108 214 D HN 0.590 nan 8.370 nan 0.000 0.421 215 G N -0.094 108.657 108.800 -0.082 0.000 2.653 215 G HA2 0.161 4.121 3.960 -0.001 0.000 0.265 215 G HA3 0.161 4.121 3.960 -0.001 0.000 0.265 215 G C 1.177 176.010 174.900 -0.113 0.000 1.237 215 G CA 0.033 45.083 45.100 -0.083 0.000 0.946 215 G HN 0.006 nan 8.290 nan 0.000 0.522 216 N N -0.866 117.721 118.700 -0.187 0.000 2.043 216 N HA -0.149 4.590 4.740 -0.001 0.000 0.193 216 N C 1.979 177.292 175.510 -0.329 0.000 1.037 216 N CA 1.428 54.305 53.050 -0.288 0.000 0.851 216 N CB -0.506 37.736 38.487 -0.407 0.000 1.027 216 N HN 0.585 nan 8.380 nan 0.000 0.422 217 Y N 1.222 121.409 120.300 -0.188 0.000 2.165 217 Y HA -0.176 4.373 4.550 -0.001 0.000 0.286 217 Y C 2.366 178.151 175.900 -0.191 0.000 1.155 217 Y CA 1.286 59.251 58.100 -0.225 0.000 1.164 217 Y CB -0.820 37.543 38.460 -0.162 0.000 0.978 217 Y HN 0.138 nan 8.280 nan 0.000 0.513 218 D N -0.379 120.035 120.400 0.025 0.000 2.117 218 D HA -0.174 4.466 4.640 -0.001 0.000 0.197 218 D C 1.905 178.198 176.300 -0.011 0.000 0.987 218 D CA 1.582 55.569 54.000 -0.021 0.000 0.829 218 D CB -0.118 40.650 40.800 -0.053 0.000 0.961 218 D HN 0.389 nan 8.370 nan 0.000 0.460 219 Q N -0.555 119.235 119.800 -0.016 0.000 2.079 219 Q HA -0.144 4.196 4.340 -0.001 0.000 0.200 219 Q C 2.411 178.518 176.000 0.179 0.000 0.974 219 Q CA 0.995 56.864 55.803 0.110 0.000 0.840 219 Q CB -0.067 28.731 28.738 0.099 0.000 0.898 219 Q HN 0.479 nan 8.270 nan 0.000 0.430 220 Q N 0.150 119.898 119.800 -0.087 0.000 2.061 220 Q HA -0.181 4.158 4.340 -0.001 0.000 0.204 220 Q C 2.076 178.014 176.000 -0.104 0.000 0.984 220 Q CA 1.570 57.165 55.803 -0.346 0.000 0.846 220 Q CB -0.075 28.068 28.738 -0.992 0.000 0.902 220 Q HN 0.382 nan 8.270 nan 0.000 0.421 221 M N -0.296 119.277 119.600 -0.045 0.000 2.067 221 M HA -0.192 4.287 4.480 -0.001 0.000 0.260 221 M C 2.212 178.627 176.300 0.192 0.000 1.069 221 M CA 1.619 56.951 55.300 0.053 0.000 1.117 221 M CB -0.165 32.437 32.600 0.005 0.000 1.334 221 M HN 0.084 nan 8.290 nan 0.000 0.407 222 R N -0.048 120.598 120.500 0.242 0.000 2.083 222 R HA -0.121 4.219 4.340 -0.001 0.000 0.237 222 R C 2.313 178.896 176.300 0.471 0.000 1.137 222 R CA 1.615 57.952 56.100 0.396 0.000 0.951 222 R CB -0.636 29.952 30.300 0.481 0.000 0.851 222 R HN 0.401 nan 8.270 nan 0.000 0.434 223 A N 1.208 124.333 122.820 0.510 0.000 1.902 223 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 223 A C 2.083 179.994 177.584 0.545 0.000 1.181 223 A CA 1.032 53.320 52.037 0.419 0.000 0.623 223 A CB -0.496 18.784 19.000 0.467 0.000 0.818 223 A HN 0.222 nan 8.150 nan 0.000 0.443 224 L N 0.121 121.756 121.223 0.685 0.000 2.013 224 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 224 L C 2.262 179.495 176.870 0.606 0.000 1.073 224 L CA 1.890 57.182 54.840 0.754 0.000 0.753 224 L CB -0.484 41.903 42.059 0.547 0.000 0.890 224 L HN 0.465 nan 8.230 nan 0.000 0.432 225 I N -1.043 119.789 120.570 0.437 0.000 2.179 225 I HA -0.291 3.879 4.170 -0.001 0.000 0.242 225 I C 2.388 178.686 176.117 0.301 0.000 1.088 225 I CA 1.524 63.039 61.300 0.357 0.000 1.357 225 I CB -0.448 37.711 38.000 0.265 0.000 1.051 225 I HN 0.400 nan 8.210 nan 0.000 0.409 226 S N 0.772 116.634 115.700 0.270 0.000 2.414 226 S HA -0.088 4.381 4.470 -0.001 0.000 0.227 226 S C 1.906 176.584 174.600 0.131 0.000 1.022 226 S CA 0.350 58.653 58.200 0.172 0.000 0.958 226 S CB -0.657 62.665 63.200 0.205 0.000 0.797 226 S HN 0.329 nan 8.310 nan 0.000 0.493 227 L N 0.836 122.187 121.223 0.213 0.000 2.046 227 L HA 0.073 4.413 4.340 -0.001 0.000 0.208 227 L C 2.131 179.165 176.870 0.273 0.000 1.077 227 L CA 1.677 56.657 54.840 0.233 0.000 0.747 227 L CB -0.870 41.353 42.059 0.273 0.000 0.896 227 L HN 0.581 nan 8.230 nan 0.000 0.432 228 W N -0.584 120.709 121.300 -0.012 0.000 2.441 228 W HA -0.142 4.518 4.660 -0.000 0.000 0.302 228 W C 2.153 178.367 176.519 -0.508 0.000 1.191 228 W CA 1.236 58.273 57.345 -0.513 0.000 1.327 228 W CB -0.347 28.257 29.460 -1.428 0.000 1.128 228 W HN 0.199 nan 8.180 nan 0.000 0.522 229 L N 1.027 121.894 121.223 -0.593 0.000 2.131 229 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 229 L C 2.212 178.767 176.870 -0.524 0.000 1.092 229 L CA 1.866 56.197 54.840 -0.848 0.000 0.759 229 L CB -0.916 40.892 42.059 -0.419 0.000 0.903 229 L HN 0.152 nan 8.230 nan 0.000 0.435 230 L N -1.751 119.292 121.223 -0.300 0.000 2.109 230 L HA -0.142 4.197 4.340 -0.001 0.000 0.207 230 L C 2.435 179.212 176.870 -0.156 0.000 1.086 230 L CA 1.029 55.760 54.840 -0.181 0.000 0.760 230 L CB -0.574 41.442 42.059 -0.071 0.000 0.910 230 L HN 0.199 nan 8.230 nan 0.000 0.437 231 S N -0.704 114.894 115.700 -0.169 0.000 2.353 231 S HA -0.265 4.205 4.470 -0.001 0.000 0.222 231 S C 1.891 176.323 174.600 -0.279 0.000 1.035 231 S CA 1.416 59.569 58.200 -0.079 0.000 1.025 231 S CB -0.540 62.686 63.200 0.043 0.000 0.902 231 S HN 0.378 nan 8.310 nan 0.000 0.440 232 Y N 2.691 122.372 120.300 -1.032 0.000 2.193 232 Y HA -0.188 4.362 4.550 -0.001 0.000 0.285 232 Y C 1.908 177.546 175.900 -0.437 0.000 1.166 232 Y CA 1.737 59.193 58.100 -1.073 0.000 1.181 232 Y CB -0.378 37.097 38.460 -1.642 0.000 0.976 232 Y HN 0.410 nan 8.280 nan 0.000 0.520 233 I N -3.634 116.756 120.570 -0.300 0.000 3.728 233 I HA 0.378 4.547 4.170 -0.001 0.000 0.307 233 I C 1.701 177.693 176.117 -0.209 0.000 1.276 233 I CA 0.905 62.056 61.300 -0.248 0.000 1.285 233 I CB -0.052 37.842 38.000 -0.177 0.000 1.038 233 I HN 0.241 nan 8.210 nan 0.000 0.445 234 G N 1.699 110.418 108.800 -0.135 0.000 2.259 234 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.217 234 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.217 234 G C 0.922 175.848 174.900 0.044 0.000 1.001 234 G CA 0.520 45.589 45.100 -0.052 0.000 0.627 234 G HN 0.599 nan 8.290 nan 0.000 0.501 235 V N -0.756 119.146 119.914 -0.020 0.000 2.427 235 V HA 0.353 4.473 4.120 -0.001 0.000 0.248 235 V C 1.394 177.498 176.094 0.018 0.000 1.051 235 V CA 1.509 63.800 62.300 -0.014 0.000 1.048 235 V CB -0.323 31.467 31.823 -0.055 0.000 0.666 235 V HN 0.607 nan 8.190 nan 0.000 0.456 236 V N 3.428 123.366 119.914 0.040 0.000 2.394 236 V HA 0.625 4.745 4.120 -0.001 0.000 0.282 236 V C -0.181 176.000 176.094 0.145 0.000 1.031 236 V CA 0.297 62.642 62.300 0.074 0.000 0.881 236 V CB 0.726 32.601 31.823 0.087 0.000 0.982 236 V HN 1.034 nan 8.190 nan 0.000 0.451 237 N N 2.288 121.020 118.700 0.053 0.000 3.378 237 N HA 0.159 4.899 4.740 -0.001 0.000 0.294 237 N C 0.377 175.593 175.510 -0.491 0.000 1.544 237 N CA -0.816 52.201 53.050 -0.055 0.000 0.872 237 N CB 0.820 39.344 38.487 0.062 0.000 1.670 237 N HN 0.257 nan 8.380 nan 0.000 0.551 238 Q N -0.975 118.345 119.800 -0.800 0.000 2.234 238 Q HA -0.138 4.202 4.340 -0.001 0.000 0.206 238 Q C 0.791 176.487 176.000 -0.507 0.000 0.980 238 Q CA 2.339 57.503 55.803 -1.064 0.000 0.869 238 Q CB -0.246 28.066 28.738 -0.710 0.000 0.912 238 Q HN 0.837 nan 8.270 nan 0.000 0.436 239 T N -3.018 111.353 114.554 -0.305 0.000 3.086 239 T HA 0.078 4.428 4.350 -0.001 0.000 0.250 239 T C 0.164 174.784 174.700 -0.133 0.000 1.074 239 T CA -0.010 61.980 62.100 -0.183 0.000 0.988 239 T CB 0.199 68.993 68.868 -0.123 0.000 0.988 239 T HN -0.007 nan 8.240 nan 0.000 0.530 240 N N 1.944 120.563 118.700 -0.133 0.000 2.607 240 N HA 0.338 5.077 4.740 -0.001 0.000 0.271 240 N C -0.834 174.645 175.510 -0.052 0.000 1.142 240 N CA -0.307 52.699 53.050 -0.073 0.000 0.810 240 N CB 1.712 40.175 38.487 -0.040 0.000 1.306 240 N HN 0.435 nan 8.380 nan 0.000 0.536 241 T N -0.150 114.380 114.554 -0.041 0.000 2.949 241 T HA 0.628 4.977 4.350 -0.001 0.000 0.287 241 T C 0.127 174.846 174.700 0.031 0.000 1.034 241 T CA -0.789 61.321 62.100 0.018 0.000 1.018 241 T CB 0.941 69.814 68.868 0.010 0.000 1.135 241 T HN 0.214 nan 8.240 nan 0.000 0.532 242 I N 2.140 122.753 120.570 0.072 0.000 2.337 242 I HA 0.266 4.435 4.170 -0.001 0.000 0.285 242 I C 0.274 176.453 176.117 0.103 0.000 1.041 242 I CA -0.680 60.649 61.300 0.049 0.000 1.199 242 I CB 0.885 38.889 38.000 0.006 0.000 1.370 242 I HN 0.931 nan 8.210 nan 0.000 0.470 243 S N 4.464 120.211 115.700 0.078 0.000 3.587 243 S HA -0.225 4.245 4.470 -0.001 0.000 0.337 243 S C 1.281 175.930 174.600 0.081 0.000 1.119 243 S CA 0.878 59.153 58.200 0.124 0.000 0.976 243 S CB -1.262 62.070 63.200 0.220 0.000 0.922 243 S HN 1.293 nan 8.310 nan 0.000 0.503 244 G N -1.118 107.641 108.800 -0.069 0.000 2.217 244 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.246 244 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.246 244 G C -0.059 174.682 174.900 -0.266 0.000 0.990 244 G CA 0.180 45.054 45.100 -0.376 0.000 0.627 244 G HN 0.627 nan 8.290 nan 0.000 0.522 245 F N 0.877 120.930 119.950 0.171 0.000 2.379 245 F HA 0.746 5.273 4.527 -0.001 0.000 0.332 245 F C 0.506 176.388 175.800 0.135 0.000 1.096 245 F CA -0.401 57.661 58.000 0.103 0.000 1.105 245 F CB 1.133 40.077 39.000 -0.093 0.000 1.189 245 F HN 0.404 nan 8.300 nan 0.000 0.515 246 Y N -0.405 119.962 120.300 0.111 0.000 2.677 246 Y HA 0.642 5.192 4.550 -0.000 0.000 0.334 246 Y C -2.194 173.685 175.900 -0.034 0.000 1.196 246 Y CA -2.587 55.560 58.100 0.078 0.000 1.059 246 Y CB 0.558 39.092 38.460 0.124 0.000 1.315 246 Y HN 0.350 nan 8.280 nan 0.000 0.455 247 F N 1.499 121.630 119.950 0.302 0.000 2.421 247 F HA 0.686 5.212 4.527 -0.001 0.000 0.337 247 F C 0.539 176.736 175.800 0.662 0.000 1.105 247 F CA -0.446 57.769 58.000 0.359 0.000 1.049 247 F CB 2.113 41.376 39.000 0.437 0.000 1.139 247 F HN 0.615 nan 8.300 nan 0.000 0.479 248 S N 1.635 117.776 115.700 0.736 0.000 2.566 248 S HA 0.710 5.179 4.470 -0.001 0.000 0.298 248 S C -0.997 173.799 174.600 0.327 0.000 1.083 248 S CA -0.477 58.085 58.200 0.604 0.000 0.978 248 S CB 1.569 65.108 63.200 0.565 0.000 1.073 248 S HN 0.597 nan 8.310 nan 0.000 0.491 249 S N 2.284 117.944 115.700 -0.067 0.000 2.571 249 S HA 0.397 4.866 4.470 -0.001 0.000 0.284 249 S C 0.696 175.186 174.600 -0.183 0.000 1.128 249 S CA -0.762 57.230 58.200 -0.348 0.000 0.970 249 S CB 0.973 63.477 63.200 -1.161 0.000 1.039 249 S HN 0.743 nan 8.310 nan 0.000 0.485 250 K N 1.707 122.041 120.400 -0.110 0.000 2.044 250 K HA -0.060 4.259 4.320 -0.001 0.000 0.210 250 K C 1.213 177.807 176.600 -0.010 0.000 1.049 250 K CA 1.633 57.880 56.287 -0.067 0.000 0.927 250 K CB -0.891 31.588 32.500 -0.036 0.000 0.713 250 K HN 0.815 nan 8.250 nan 0.000 0.443 251 T N -0.696 113.845 114.554 -0.021 0.000 2.944 251 T HA 0.575 4.925 4.350 -0.001 0.000 0.284 251 T C -0.535 174.187 174.700 0.036 0.000 1.010 251 T CA -1.027 61.084 62.100 0.018 0.000 1.025 251 T CB 2.154 70.994 68.868 -0.046 0.000 1.079 251 T HN -0.057 nan 8.240 nan 0.000 0.516 252 R N -0.314 120.201 120.500 0.025 0.000 2.510 252 R HA 0.569 4.909 4.340 -0.001 0.000 0.294 252 R C 0.404 176.661 176.300 -0.071 0.000 1.056 252 R CA 0.414 56.482 56.100 -0.054 0.000 0.918 252 R CB 0.657 30.816 30.300 -0.236 0.000 1.187 252 R HN 1.448 nan 8.270 nan 0.000 0.437 253 G N 2.214 110.988 108.800 -0.043 0.000 2.165 253 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.226 253 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.226 253 G C -0.389 174.459 174.900 -0.088 0.000 1.035 253 G CA 0.418 45.511 45.100 -0.011 0.000 0.744 253 G HN 0.649 nan 8.290 nan 0.000 0.501 254 Q N -1.664 117.942 119.800 -0.324 0.000 2.565 254 Q HA 0.732 5.071 4.340 -0.001 0.000 0.294 254 Q C 1.288 176.745 176.000 -0.906 0.000 1.005 254 Q CA -0.001 55.369 55.803 -0.721 0.000 0.771 254 Q CB 1.022 29.579 28.738 -0.302 0.000 1.486 254 Q HN 0.780 nan 8.270 nan 0.000 0.422 255 A N 1.020 123.213 122.820 -1.046 0.000 2.015 255 A HA -0.009 4.311 4.320 -0.001 0.000 0.219 255 A C 1.317 178.783 177.584 -0.196 0.000 1.163 255 A CA 1.075 52.796 52.037 -0.528 0.000 0.646 255 A CB -0.348 18.563 19.000 -0.148 0.000 0.806 255 A HN 0.589 nan 8.150 nan 0.000 0.448 256 L N -0.005 121.112 121.223 -0.177 0.000 2.628 256 L HA 0.115 4.455 4.340 -0.001 0.000 0.229 256 L C -0.538 176.287 176.870 -0.075 0.000 1.137 256 L CA -0.507 54.284 54.840 -0.081 0.000 0.909 256 L CB -0.223 41.800 42.059 -0.061 0.000 1.137 256 L HN 0.108 nan 8.230 nan 0.000 0.470 257 D N 0.518 120.864 120.400 -0.090 0.000 2.455 257 D HA 0.177 4.817 4.640 -0.001 0.000 0.241 257 D C 0.091 176.353 176.300 -0.063 0.000 1.138 257 D CA 0.740 54.678 54.000 -0.104 0.000 0.877 257 D CB 1.067 41.863 40.800 -0.006 0.000 1.187 257 D HN -0.129 nan 8.370 nan 0.000 0.451 258 S N 1.755 117.325 115.700 -0.217 0.000 2.626 258 S HA 0.367 4.837 4.470 -0.001 0.000 0.275 258 S C -1.880 172.641 174.600 -0.131 0.000 1.175 258 S CA -0.800 57.369 58.200 -0.052 0.000 0.982 258 S CB 0.174 63.384 63.200 0.018 0.000 1.093 258 S HN 0.351 nan 8.310 nan 0.000 0.472 259 W N 3.081 124.556 121.300 0.291 0.000 2.349 259 W HA 0.516 5.175 4.660 -0.001 0.000 0.309 259 W C 0.247 177.011 176.519 0.408 0.000 1.083 259 W CA -0.439 57.127 57.345 0.368 0.000 1.224 259 W CB 1.598 31.279 29.460 0.369 0.000 1.256 259 W HN 0.402 nan 8.180 nan 0.000 0.461 260 T N 4.258 119.103 114.554 0.484 0.000 2.823 260 T HA 0.353 4.702 4.350 -0.001 0.000 0.279 260 T C -0.876 173.643 174.700 -0.301 0.000 0.998 260 T CA -0.741 61.393 62.100 0.057 0.000 0.994 260 T CB 1.189 69.875 68.868 -0.304 0.000 0.960 260 T HN 0.220 nan 8.240 nan 0.000 0.448 261 L N 4.402 125.314 121.223 -0.519 0.000 2.369 261 L HA 0.508 4.848 4.340 -0.001 0.000 0.279 261 L C -1.345 174.864 176.870 -1.100 0.000 1.108 261 L CA 0.273 54.564 54.840 -0.915 0.000 0.852 261 L CB -0.621 41.060 42.059 -0.631 0.000 1.169 261 L HN 0.453 nan 8.230 nan 0.000 0.452 262 F N 4.598 124.091 119.950 -0.762 0.000 2.613 262 F HA 0.515 5.041 4.527 -0.001 0.000 0.342 262 F C -0.692 174.924 175.800 -0.306 0.000 1.066 262 F CA -0.523 57.016 58.000 -0.769 0.000 1.002 262 F CB 1.270 39.792 39.000 -0.796 0.000 1.319 262 F HN 0.366 nan 8.300 nan 0.000 0.495 263 Y N -0.316 120.137 120.300 0.255 0.000 2.457 263 Y HA 0.564 5.113 4.550 -0.001 0.000 0.343 263 Y C -1.024 174.985 175.900 0.182 0.000 0.994 263 Y CA -0.696 57.470 58.100 0.110 0.000 1.031 263 Y CB 1.925 40.393 38.460 0.013 0.000 1.246 263 Y HN 0.498 nan 8.280 nan 0.000 0.449 264 T N 4.760 118.906 114.554 -0.680 0.000 2.786 264 T HA 0.193 4.543 4.350 -0.001 0.000 0.283 264 T C 0.722 174.912 174.700 -0.850 0.000 0.992 264 T CA -0.286 61.492 62.100 -0.537 0.000 0.954 264 T CB 1.600 70.343 68.868 -0.208 0.000 0.934 264 T HN 0.863 nan 8.240 nan 0.000 0.440 265 T N 2.770 117.025 114.554 -0.498 0.000 2.812 265 T HA -0.082 4.267 4.350 -0.001 0.000 0.264 265 T C 1.936 176.533 174.700 -0.171 0.000 1.042 265 T CA 1.178 63.126 62.100 -0.253 0.000 1.140 265 T CB -0.025 68.797 68.868 -0.077 0.000 0.870 265 T HN 0.702 nan 8.240 nan 0.000 0.445 266 N N 0.961 119.570 118.700 -0.152 0.000 2.220 266 N HA 0.020 4.759 4.740 -0.001 0.000 0.195 266 N C 0.681 176.129 175.510 -0.103 0.000 1.123 266 N CA 0.029 53.017 53.050 -0.103 0.000 0.874 266 N CB -0.174 38.265 38.487 -0.080 0.000 0.995 266 N HN 0.424 nan 8.380 nan 0.000 0.498 267 T N -1.497 112.979 114.554 -0.131 0.000 2.897 267 T HA 0.203 4.553 4.350 -0.001 0.000 0.278 267 T C 0.211 174.848 174.700 -0.105 0.000 0.981 267 T CA -0.959 61.069 62.100 -0.120 0.000 0.973 267 T CB 1.268 70.046 68.868 -0.150 0.000 1.092 267 T HN 0.116 nan 8.240 nan 0.000 0.543 268 N N 0.498 119.145 118.700 -0.089 0.000 2.407 268 N HA 0.005 4.744 4.740 -0.001 0.000 0.250 268 N C -0.694 174.777 175.510 -0.064 0.000 1.236 268 N CA 0.087 53.098 53.050 -0.066 0.000 0.879 268 N CB 0.329 38.784 38.487 -0.054 0.000 1.088 268 N HN 0.492 nan 8.380 nan 0.000 0.450 269 R N 1.770 122.242 120.500 -0.046 0.000 2.494 269 R HA 0.290 4.630 4.340 -0.001 0.000 0.305 269 R C -0.246 176.044 176.300 -0.017 0.000 0.959 269 R CA -0.887 55.195 56.100 -0.030 0.000 0.864 269 R CB 1.731 32.017 30.300 -0.024 0.000 1.159 269 R HN 0.460 nan 8.270 nan 0.000 0.446 270 V N 0.358 120.266 119.914 -0.011 0.000 2.924 270 V HA 0.197 4.316 4.120 -0.001 0.000 0.305 270 V C -0.197 175.896 176.094 -0.002 0.000 1.073 270 V CA -0.352 61.944 62.300 -0.007 0.000 1.098 270 V CB 0.993 32.812 31.823 -0.007 0.000 1.000 270 V HN 0.662 nan 8.190 nan 0.000 0.484 271 Q N 3.102 122.904 119.800 0.003 0.000 2.339 271 Q HA 0.543 4.882 4.340 -0.001 0.000 0.268 271 Q C -1.000 175.011 176.000 0.019 0.000 1.027 271 Q CA -0.371 55.437 55.803 0.009 0.000 0.759 271 Q CB 2.159 30.904 28.738 0.010 0.000 1.244 271 Q HN 0.801 nan 8.270 nan 0.000 0.464 272 I N 1.316 121.897 120.570 0.018 0.000 2.371 272 I HA 0.112 4.282 4.170 -0.001 0.000 0.290 272 I C 1.108 177.251 176.117 0.043 0.000 1.028 272 I CA 0.141 61.468 61.300 0.044 0.000 1.345 272 I CB 1.349 39.363 38.000 0.024 0.000 1.407 272 I HN 0.538 nan 8.210 nan 0.000 0.501 273 T N 4.487 119.075 114.554 0.057 0.000 3.000 273 T HA 0.081 4.430 4.350 -0.001 0.000 0.248 273 T C 0.360 175.045 174.700 -0.024 0.000 1.034 273 T CA 0.341 62.454 62.100 0.021 0.000 1.060 273 T CB 0.243 69.127 68.868 0.027 0.000 0.983 273 T HN 0.754 nan 8.240 nan 0.000 0.482 274 Q N -0.000 119.755 119.800 -0.075 0.000 2.857 274 Q HA 0.552 4.891 4.340 -0.001 0.000 0.319 274 Q C -0.917 174.891 176.000 -0.320 0.000 0.963 274 Q CA -1.171 54.511 55.803 -0.203 0.000 0.770 274 Q CB 1.660 30.236 28.738 -0.270 0.000 1.492 274 Q HN -0.005 nan 8.270 nan 0.000 0.493 275 R N 0.768 121.066 120.500 -0.336 0.000 2.297 275 R HA 0.300 4.640 4.340 -0.001 0.000 0.308 275 R C -1.040 174.930 176.300 -0.550 0.000 1.029 275 R CA -0.176 55.773 56.100 -0.253 0.000 0.929 275 R CB 0.670 30.900 30.300 -0.117 0.000 1.046 275 R HN 0.635 nan 8.270 nan 0.000 0.461 276 H N 4.159 123.074 119.070 -0.258 0.000 2.538 276 H HA 0.309 4.864 4.556 -0.001 0.000 0.353 276 H C -1.397 173.637 175.328 -0.491 0.000 1.109 276 H CA -0.526 55.141 56.048 -0.635 0.000 1.192 276 H CB 1.815 30.710 29.762 -1.446 0.000 1.555 276 H HN 0.489 nan 8.280 nan 0.000 0.518 277 F N 1.749 121.482 119.950 -0.361 0.000 2.561 277 F HA 0.612 5.138 4.527 -0.001 0.000 0.313 277 F C -1.492 174.371 175.800 0.105 0.000 1.126 277 F CA -0.519 57.389 58.000 -0.153 0.000 0.918 277 F CB 1.460 40.301 39.000 -0.266 0.000 1.199 277 F HN 0.647 nan 8.300 nan 0.000 0.444 278 A N 4.243 126.576 122.820 -0.812 0.000 2.475 278 A HA 0.691 5.010 4.320 -0.001 0.000 0.301 278 A C -2.329 174.621 177.584 -1.057 0.000 1.059 278 A CA -0.522 51.120 52.037 -0.659 0.000 0.710 278 A CB 0.866 19.793 19.000 -0.121 0.000 1.288 278 A HN 0.632 nan 8.150 nan 0.000 0.408 279 Y N 0.782 120.834 120.300 -0.413 0.000 2.327 279 Y HA 0.487 5.037 4.550 -0.001 0.000 0.336 279 Y C 0.060 175.987 175.900 0.046 0.000 1.035 279 Y CA -0.464 57.572 58.100 -0.108 0.000 1.165 279 Y CB 1.598 40.149 38.460 0.151 0.000 1.181 279 Y HN 0.361 nan 8.280 nan 0.000 0.494 280 V N 3.957 124.014 119.914 0.239 0.000 2.525 280 V HA 0.434 4.553 4.120 -0.001 0.000 0.299 280 V C -0.328 175.978 176.094 0.354 0.000 1.034 280 V CA -1.098 61.347 62.300 0.242 0.000 0.863 280 V CB 1.262 33.168 31.823 0.139 0.000 0.999 280 V HN 0.963 nan 8.190 nan 0.000 0.423 281 C N 2.879 122.370 119.300 0.319 0.000 2.562 281 C HA 0.971 5.431 4.460 -0.001 0.000 0.332 281 C C 0.572 175.647 174.990 0.143 0.000 1.201 281 C CA -0.713 58.482 59.018 0.294 0.000 1.803 281 C CB 1.196 28.984 27.740 0.081 0.000 2.328 281 C HN 1.175 nan 8.230 nan 0.000 0.500 282 A N 2.277 125.015 122.820 -0.138 0.000 2.347 282 A HA 0.457 4.777 4.320 -0.001 0.000 0.287 282 A C 1.338 178.734 177.584 -0.313 0.000 1.199 282 A CA -0.386 51.313 52.037 -0.564 0.000 0.851 282 A CB 0.059 18.466 19.000 -0.988 0.000 1.118 282 A HN 1.083 nan 8.150 nan 0.000 0.525 283 R N 2.329 122.690 120.500 -0.231 0.000 2.062 283 R HA -0.050 4.290 4.340 -0.001 0.000 0.229 283 R C 0.888 177.056 176.300 -0.221 0.000 1.128 283 R CA 1.502 57.498 56.100 -0.173 0.000 0.960 283 R CB -0.124 30.105 30.300 -0.118 0.000 0.855 283 R HN 0.777 nan 8.270 nan 0.000 0.432 284 S N 0.364 115.907 115.700 -0.262 0.000 2.586 284 S HA 0.258 4.727 4.470 -0.001 0.000 0.274 284 S C -2.091 172.188 174.600 -0.535 0.000 1.281 284 S CA -1.502 56.421 58.200 -0.460 0.000 1.035 284 S CB 1.658 64.657 63.200 -0.335 0.000 0.962 284 S HN 0.046 nan 8.310 nan 0.000 0.512 285 P HA -0.052 nan 4.420 nan 0.000 0.228 285 P C 0.591 177.346 177.300 -0.908 0.000 1.151 285 P CA 0.828 63.250 63.100 -1.130 0.000 0.770 285 P CB -0.194 30.254 31.700 -2.087 0.000 0.786 286 D N -0.920 119.105 120.400 -0.625 0.000 2.378 286 D HA -0.192 4.447 4.640 -0.001 0.000 0.222 286 D C 1.711 177.898 176.300 -0.189 0.000 0.980 286 D CA 0.246 54.085 54.000 -0.269 0.000 0.907 286 D CB -1.558 39.275 40.800 0.056 0.000 0.899 286 D HN 0.414 nan 8.370 nan 0.000 0.527 287 W N 1.755 122.894 121.300 -0.268 0.000 2.313 287 W HA -0.196 4.464 4.660 -0.001 0.000 0.293 287 W C 0.858 177.329 176.519 -0.080 0.000 1.216 287 W CA 0.625 57.841 57.345 -0.215 0.000 1.223 287 W CB -1.108 28.152 29.460 -0.333 0.000 1.138 287 W HN -0.082 nan 8.180 nan 0.000 0.535 288 N N 1.231 119.361 118.700 -0.949 0.000 2.364 288 N HA -0.120 4.619 4.740 -0.001 0.000 0.183 288 N C 1.600 176.917 175.510 -0.322 0.000 1.022 288 N CA 1.664 54.120 53.050 -0.990 0.000 0.883 288 N CB -0.010 37.834 38.487 -1.071 0.000 0.965 288 N HN 0.164 nan 8.380 nan 0.000 0.438 289 V N 0.035 119.845 119.914 -0.174 0.000 3.661 289 V HA 0.031 4.151 4.120 -0.001 0.000 0.271 289 V C 0.134 176.345 176.094 0.194 0.000 1.315 289 V CA 0.206 62.537 62.300 0.052 0.000 1.072 289 V CB 0.363 32.217 31.823 0.052 0.000 0.830 289 V HN 0.031 nan 8.190 nan 0.000 0.443 290 D N 1.000 121.537 120.400 0.229 0.000 2.479 290 D HA 0.128 4.768 4.640 -0.001 0.000 0.218 290 D C 1.206 177.718 176.300 0.355 0.000 1.131 290 D CA -0.164 54.044 54.000 0.346 0.000 0.916 290 D CB 0.904 41.961 40.800 0.429 0.000 1.022 290 D HN 0.332 nan 8.370 nan 0.000 0.515 291 K N 0.889 121.464 120.400 0.291 0.000 2.280 291 K HA -0.066 4.254 4.320 -0.001 0.000 0.202 291 K C 1.559 178.280 176.600 0.201 0.000 1.047 291 K CA 0.601 57.026 56.287 0.231 0.000 0.942 291 K CB 0.197 32.808 32.500 0.185 0.000 0.739 291 K HN 0.127 nan 8.250 nan 0.000 0.457 292 S N 0.725 116.577 115.700 0.253 0.000 2.388 292 S HA -0.073 4.396 4.470 -0.001 0.000 0.223 292 S C 1.368 175.813 174.600 -0.259 0.000 1.034 292 S CA 0.088 58.314 58.200 0.044 0.000 0.963 292 S CB -0.259 63.021 63.200 0.133 0.000 0.827 292 S HN 0.436 nan 8.310 nan 0.000 0.481 293 W N 2.335 123.593 121.300 -0.069 0.000 2.321 293 W HA -0.153 4.506 4.660 -0.001 0.000 0.306 293 W C 1.661 178.185 176.519 0.009 0.000 1.217 293 W CA 1.270 58.615 57.345 0.000 0.000 1.257 293 W CB -0.464 29.100 29.460 0.172 0.000 1.145 293 W HN 0.271 nan 8.180 nan 0.000 0.509 294 I N 0.294 121.043 120.570 0.299 0.000 2.406 294 I HA -0.231 3.938 4.170 -0.001 0.000 0.249 294 I C 2.662 178.816 176.117 0.061 0.000 1.122 294 I CA 1.220 62.666 61.300 0.244 0.000 1.431 294 I CB -0.864 37.322 38.000 0.311 0.000 1.087 294 I HN -0.145 nan 8.210 nan 0.000 0.424 295 A N 0.814 123.620 122.820 -0.022 0.000 1.877 295 A HA -0.180 4.139 4.320 -0.001 0.000 0.216 295 A C 2.529 179.994 177.584 -0.198 0.000 1.186 295 A CA 1.877 53.827 52.037 -0.145 0.000 0.620 295 A CB -0.925 17.910 19.000 -0.275 0.000 0.822 295 A HN 0.405 nan 8.150 nan 0.000 0.443 296 A N -0.372 122.302 122.820 -0.243 0.000 1.972 296 A HA 0.175 4.495 4.320 -0.001 0.000 0.219 296 A C 2.367 179.852 177.584 -0.165 0.000 1.169 296 A CA 1.964 53.866 52.037 -0.225 0.000 0.635 296 A CB -0.784 17.922 19.000 -0.490 0.000 0.810 296 A HN 1.079 nan 8.150 nan 0.000 0.446 297 A N -0.473 122.251 122.820 -0.160 0.000 2.067 297 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 297 A C 1.891 179.481 177.584 0.009 0.000 1.156 297 A CA 1.105 53.112 52.037 -0.049 0.000 0.683 297 A CB -0.421 18.591 19.000 0.020 0.000 0.808 297 A HN 0.587 nan 8.150 nan 0.000 0.455 298 N N 0.016 118.710 118.700 -0.009 0.000 2.250 298 N HA 0.005 4.745 4.740 -0.001 0.000 0.181 298 N C 1.680 177.183 175.510 -0.013 0.000 1.017 298 N CA 0.959 54.011 53.050 0.003 0.000 0.866 298 N CB -0.140 38.344 38.487 -0.006 0.000 0.985 298 N HN 0.439 nan 8.380 nan 0.000 0.429 299 L N 0.900 122.100 121.223 -0.038 0.000 2.027 299 L HA -0.122 4.217 4.340 -0.001 0.000 0.206 299 L C 2.318 179.188 176.870 -0.001 0.000 1.074 299 L CA 1.062 55.884 54.840 -0.030 0.000 0.745 299 L CB -1.066 40.974 42.059 -0.032 0.000 0.898 299 L HN 0.109 nan 8.230 nan 0.000 0.433 300 T N 0.377 114.953 114.554 0.036 0.000 2.653 300 T HA -0.342 4.008 4.350 -0.001 0.000 0.267 300 T C 1.917 176.660 174.700 0.073 0.000 1.037 300 T CA 1.917 64.074 62.100 0.095 0.000 1.159 300 T CB -0.328 68.630 68.868 0.150 0.000 0.859 300 T HN 0.518 nan 8.240 nan 0.000 0.449 301 A N 0.655 123.509 122.820 0.058 0.000 1.933 301 A HA -0.005 4.314 4.320 -0.001 0.000 0.218 301 A C 2.296 179.883 177.584 0.006 0.000 1.175 301 A CA 1.279 53.343 52.037 0.044 0.000 0.628 301 A CB -0.640 18.382 19.000 0.037 0.000 0.814 301 A HN 0.600 nan 8.150 nan 0.000 0.444 302 I N -0.756 119.806 120.570 -0.013 0.000 2.286 302 I HA -0.162 4.007 4.170 -0.001 0.000 0.245 302 I C 2.298 178.384 176.117 -0.052 0.000 1.104 302 I CA 0.846 62.128 61.300 -0.031 0.000 1.397 302 I CB -0.507 37.463 38.000 -0.050 0.000 1.072 302 I HN 0.122 nan 8.210 nan 0.000 0.417 303 V N 0.990 120.850 119.914 -0.089 0.000 2.295 303 V HA -0.288 3.832 4.120 -0.001 0.000 0.246 303 V C 2.453 178.408 176.094 -0.232 0.000 1.049 303 V CA 2.035 64.214 62.300 -0.202 0.000 1.024 303 V CB -0.406 31.234 31.823 -0.306 0.000 0.648 303 V HN 0.392 nan 8.190 nan 0.000 0.447 304 M N -0.613 118.908 119.600 -0.132 0.000 2.419 304 M HA -0.005 4.475 4.480 -0.001 0.000 0.264 304 M C 2.177 178.510 176.300 0.056 0.000 1.082 304 M CA 1.362 56.654 55.300 -0.013 0.000 1.119 304 M CB -0.385 32.310 32.600 0.158 0.000 1.398 304 M HN 0.378 nan 8.290 nan 0.000 0.453 305 A N 0.162 123.020 122.820 0.063 0.000 1.968 305 A HA -0.155 4.165 4.320 -0.001 0.000 0.217 305 A C 2.257 179.907 177.584 0.109 0.000 1.169 305 A CA 1.578 53.720 52.037 0.174 0.000 0.638 305 A CB -1.038 18.064 19.000 0.170 0.000 0.812 305 A HN 0.760 nan 8.150 nan 0.000 0.446 306 C N -0.600 118.712 119.300 0.019 0.000 2.539 306 C HA 0.466 4.926 4.460 -0.001 0.000 0.268 306 C C 1.151 176.117 174.990 -0.040 0.000 1.395 306 C CA -0.129 58.885 59.018 -0.007 0.000 1.757 306 C CB -1.575 26.147 27.740 -0.029 0.000 1.851 306 C HN 0.623 nan 8.230 nan 0.000 0.545 307 R N -0.797 119.672 120.500 -0.052 0.000 2.905 307 R HA 0.589 4.928 4.340 -0.001 0.000 0.260 307 R C -1.162 175.100 176.300 -0.064 0.000 1.086 307 R CA -0.632 55.427 56.100 -0.068 0.000 0.978 307 R CB 0.308 30.562 30.300 -0.077 0.000 1.215 307 R HN 0.009 nan 8.270 nan 0.000 0.480 308 Q N 1.810 121.567 119.800 -0.071 0.000 2.377 308 Q HA 0.323 4.662 4.340 -0.001 0.000 0.249 308 Q C -2.086 173.884 176.000 -0.049 0.000 1.005 308 Q CA -1.670 54.098 55.803 -0.058 0.000 0.912 308 Q CB 1.409 30.104 28.738 -0.072 0.000 1.223 308 Q HN 0.463 nan 8.270 nan 0.000 0.459 309 P HA 0.436 nan 4.420 nan 0.000 0.284 309 P C -2.549 174.685 177.300 -0.111 0.000 1.287 309 P CA -1.993 61.103 63.100 -0.007 0.000 0.824 309 P CB -0.028 31.768 31.700 0.160 0.000 1.180 310 P HA -0.003 nan 4.420 nan 0.000 0.266 310 P C -0.527 176.675 177.300 -0.163 0.000 1.186 310 P CA 0.310 63.251 63.100 -0.266 0.000 0.767 310 P CB 0.050 31.440 31.700 -0.518 0.000 0.820 311 V N 4.123 123.959 119.914 -0.129 0.000 2.461 311 V HA 0.157 4.276 4.120 -0.001 0.000 0.275 311 V C 0.407 176.458 176.094 -0.071 0.000 1.047 311 V CA -0.191 62.031 62.300 -0.130 0.000 0.955 311 V CB -0.493 31.297 31.823 -0.054 0.000 0.988 311 V HN 0.336 nan 8.190 nan 0.000 0.471 312 F N 2.834 122.702 119.950 -0.138 0.000 2.518 312 F HA 0.421 4.948 4.527 -0.001 0.000 0.359 312 F C 1.084 176.841 175.800 -0.072 0.000 1.118 312 F CA 0.090 58.001 58.000 -0.148 0.000 1.287 312 F CB 0.516 39.266 39.000 -0.417 0.000 1.132 312 F HN 0.596 nan 8.300 nan 0.000 0.587 313 A N 3.184 126.119 122.820 0.192 0.000 2.520 313 A HA 0.076 4.395 4.320 -0.001 0.000 0.245 313 A C 1.360 178.983 177.584 0.066 0.000 1.072 313 A CA -0.503 51.594 52.037 0.099 0.000 0.761 313 A CB -0.014 19.029 19.000 0.072 0.000 1.004 313 A HN 0.827 nan 8.150 nan 0.000 0.499 314 N N 1.055 119.784 118.700 0.049 0.000 2.192 314 N HA -0.222 4.517 4.740 -0.001 0.000 0.188 314 N C 1.862 177.377 175.510 0.008 0.000 1.013 314 N CA 2.004 55.074 53.050 0.034 0.000 0.863 314 N CB -0.187 38.322 38.487 0.037 0.000 0.990 314 N HN 0.924 nan 8.380 nan 0.000 0.430 315 Q N -0.954 118.849 119.800 0.005 0.000 2.451 315 Q HA 0.103 4.443 4.340 -0.001 0.000 0.206 315 Q C 1.425 177.407 176.000 -0.032 0.000 0.947 315 Q CA 0.984 56.781 55.803 -0.009 0.000 0.937 315 Q CB -0.059 28.677 28.738 -0.003 0.000 1.025 315 Q HN 0.155 nan 8.270 nan 0.000 0.511 316 G N 1.199 109.973 108.800 -0.042 0.000 2.985 316 G HA2 0.240 4.199 3.960 -0.001 0.000 0.209 316 G HA3 0.240 4.199 3.960 -0.001 0.000 0.209 316 G C 0.329 175.122 174.900 -0.177 0.000 1.165 316 G CA 0.524 45.572 45.100 -0.086 0.000 0.776 316 G HN 0.284 nan 8.290 nan 0.000 0.541 317 V N -1.645 118.177 119.914 -0.153 0.000 3.102 317 V HA 0.735 4.854 4.120 -0.001 0.000 0.312 317 V C 0.227 176.269 176.094 -0.086 0.000 1.135 317 V CA -1.951 60.242 62.300 -0.178 0.000 1.022 317 V CB 1.769 33.476 31.823 -0.193 0.000 1.056 317 V HN 0.281 nan 8.190 nan 0.000 0.436 318 I N -0.095 120.431 120.570 -0.072 0.000 2.938 318 I HA 0.275 4.445 4.170 -0.001 0.000 0.285 318 I C 1.461 177.576 176.117 -0.004 0.000 1.182 318 I CA 0.019 61.307 61.300 -0.020 0.000 1.388 318 I CB 0.151 38.164 38.000 0.021 0.000 1.390 318 I HN 0.774 nan 8.210 nan 0.000 0.600 319 N N 2.428 121.141 118.700 0.021 0.000 2.049 319 N HA -0.283 4.457 4.740 -0.001 0.000 0.198 319 N C 1.474 177.023 175.510 0.065 0.000 1.030 319 N CA 2.412 55.485 53.050 0.039 0.000 0.870 319 N CB -0.159 38.352 38.487 0.040 0.000 1.045 319 N HN 0.706 nan 8.380 nan 0.000 0.434 320 Q N -0.058 119.800 119.800 0.095 0.000 2.437 320 Q HA 0.086 4.426 4.340 -0.001 0.000 0.210 320 Q C 1.379 177.456 176.000 0.127 0.000 0.972 320 Q CA 0.867 56.773 55.803 0.171 0.000 0.903 320 Q CB 0.094 28.975 28.738 0.239 0.000 0.967 320 Q HN 0.356 nan 8.270 nan 0.000 0.486 321 A N -0.268 122.481 122.820 -0.119 0.000 2.308 321 A HA 0.089 4.409 4.320 -0.001 0.000 0.217 321 A C 0.345 178.011 177.584 0.137 0.000 1.216 321 A CA -0.212 51.651 52.037 -0.289 0.000 0.864 321 A CB 0.219 18.845 19.000 -0.623 0.000 0.902 321 A HN 0.230 nan 8.150 nan 0.000 0.499 322 Q N 0.383 120.252 119.800 0.115 0.000 2.306 322 Q HA 0.231 4.571 4.340 -0.001 0.000 0.241 322 Q C -0.351 175.715 176.000 0.110 0.000 0.948 322 Q CA -0.649 55.221 55.803 0.112 0.000 0.886 322 Q CB 0.392 29.172 28.738 0.070 0.000 1.227 322 Q HN 0.449 nan 8.270 nan 0.000 0.457 323 N N 1.037 119.787 118.700 0.083 0.000 2.740 323 N HA -0.190 4.549 4.740 -0.001 0.000 0.248 323 N C -0.975 174.527 175.510 -0.014 0.000 1.062 323 N CA 0.762 53.836 53.050 0.040 0.000 0.704 323 N CB -0.724 37.783 38.487 0.035 0.000 0.968 323 N HN 0.421 nan 8.380 nan 0.000 0.547 324 R N 1.298 121.775 120.500 -0.038 0.000 2.207 324 R HA 0.349 4.689 4.340 -0.001 0.000 0.334 324 R C -2.493 173.712 176.300 -0.157 0.000 1.013 324 R CA -1.802 54.132 56.100 -0.277 0.000 0.858 324 R CB 0.592 30.465 30.300 -0.712 0.000 1.094 324 R HN -0.089 nan 8.270 nan 0.000 0.457 325 P HA 0.057 nan 4.420 nan 0.000 0.255 325 P C 0.271 177.533 177.300 -0.064 0.000 1.173 325 P CA 1.278 64.325 63.100 -0.088 0.000 0.780 325 P CB 0.630 32.276 31.700 -0.091 0.000 0.758 326 G N 2.283 111.076 108.800 -0.013 0.000 2.194 326 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.236 326 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.236 326 G C 0.463 175.411 174.900 0.079 0.000 0.987 326 G CA 0.151 45.255 45.100 0.007 0.000 0.635 326 G HN 0.515 nan 8.290 nan 0.000 0.520 327 F N 1.876 121.790 119.950 -0.060 0.000 2.537 327 F HA 0.519 5.045 4.527 -0.001 0.000 0.277 327 F C 1.094 176.988 175.800 0.157 0.000 1.013 327 F CA 1.539 59.565 58.000 0.044 0.000 1.332 327 F CB 0.674 39.661 39.000 -0.022 0.000 1.108 327 F HN 0.599 nan 8.300 nan 0.000 0.679 328 S N 1.193 117.002 115.700 0.181 0.000 2.556 328 S HA 0.728 5.198 4.470 -0.001 0.000 0.271 328 S C -0.828 173.824 174.600 0.087 0.000 1.135 328 S CA -0.603 57.673 58.200 0.127 0.000 0.858 328 S CB 2.215 65.557 63.200 0.236 0.000 1.114 328 S HN 0.395 nan 8.310 nan 0.000 0.468 329 M N 0.430 120.070 119.600 0.067 0.000 2.603 329 M HA 0.579 5.058 4.480 -0.001 0.000 0.275 329 M C -1.844 174.481 176.300 0.041 0.000 1.226 329 M CA -0.873 54.453 55.300 0.043 0.000 0.870 329 M CB 1.383 33.999 32.600 0.027 0.000 1.716 329 M HN 0.434 nan 8.290 nan 0.000 0.482 330 N N 1.077 119.796 118.700 0.032 0.000 2.483 330 N HA 0.340 5.079 4.740 -0.001 0.000 0.264 330 N C 0.834 176.360 175.510 0.026 0.000 1.197 330 N CA 1.680 54.746 53.050 0.028 0.000 0.927 330 N CB 1.050 39.550 38.487 0.022 0.000 1.065 330 N HN 1.063 nan 8.380 nan 0.000 0.461 331 G N 0.945 109.762 108.800 0.029 0.000 2.160 331 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.244 331 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.244 331 G C 0.595 175.516 174.900 0.034 0.000 1.022 331 G CA 0.099 45.216 45.100 0.028 0.000 0.741 331 G HN 0.837 nan 8.290 nan 0.000 0.508 332 G N -0.978 107.850 108.800 0.046 0.000 2.508 332 G HA2 0.582 4.542 3.960 -0.001 0.000 0.278 332 G HA3 0.582 4.542 3.960 -0.001 0.000 0.278 332 G C 0.379 175.329 174.900 0.083 0.000 1.389 332 G CA 0.354 45.490 45.100 0.060 0.000 1.050 332 G HN 0.691 nan 8.290 nan 0.000 0.522 333 T N 2.623 117.250 114.554 0.122 0.000 2.799 333 T HA 0.344 4.693 4.350 -0.001 0.000 0.296 333 T C -2.223 172.605 174.700 0.213 0.000 0.947 333 T CA -0.460 61.749 62.100 0.181 0.000 1.141 333 T CB 1.167 70.189 68.868 0.257 0.000 0.891 333 T HN 0.166 nan 8.240 nan 0.000 0.533 334 P HA 0.106 nan 4.420 nan 0.000 0.266 334 P C -0.636 176.680 177.300 0.028 0.000 1.195 334 P CA -0.333 62.751 63.100 -0.027 0.000 0.768 334 P CB 0.368 31.918 31.700 -0.250 0.000 0.838 335 V N 4.366 124.287 119.914 0.012 0.000 2.353 335 V HA 0.124 4.243 4.120 -0.001 0.000 0.264 335 V C 0.452 176.500 176.094 -0.076 0.000 1.049 335 V CA -0.214 62.127 62.300 0.068 0.000 0.896 335 V CB -0.761 31.089 31.823 0.046 0.000 1.025 335 V HN 0.551 nan 8.190 nan 0.000 0.475 336 H N 3.018 122.150 119.070 0.104 0.000 2.615 336 H HA 0.473 5.029 4.556 -0.001 0.000 0.363 336 H C 0.371 175.734 175.328 0.057 0.000 1.148 336 H CA -0.229 55.852 56.048 0.055 0.000 1.401 336 H CB 0.823 30.598 29.762 0.021 0.000 1.461 336 H HN 0.802 nan 8.280 nan 0.000 0.588 337 E N 2.345 122.637 120.200 0.154 0.000 2.266 337 E HA 0.488 4.838 4.350 -0.001 0.000 0.268 337 E C -1.457 175.172 176.600 0.049 0.000 0.879 337 E CA -0.851 55.593 56.400 0.072 0.000 0.762 337 E CB 1.800 31.507 29.700 0.012 0.000 1.199 337 E HN 0.364 nan 8.360 nan 0.000 0.422 338 L N 2.771 123.996 121.223 0.003 0.000 2.325 338 L HA 0.377 4.716 4.340 -0.001 0.000 0.281 338 L C -0.103 176.701 176.870 -0.109 0.000 1.004 338 L CA -1.070 53.750 54.840 -0.034 0.000 0.823 338 L CB 1.700 43.771 42.059 0.019 0.000 1.236 338 L HN 0.652 nan 8.230 nan 0.000 0.415 339 N N 3.697 122.357 118.700 -0.066 0.000 2.470 339 N HA 0.147 4.886 4.740 -0.001 0.000 0.268 339 N C 0.742 176.222 175.510 -0.050 0.000 1.136 339 N CA -0.171 52.842 53.050 -0.062 0.000 0.961 339 N CB 1.391 39.868 38.487 -0.015 0.000 1.067 339 N HN 0.660 nan 8.380 nan 0.000 0.468 340 L N 3.191 124.384 121.223 -0.051 0.000 2.217 340 L HA -0.125 4.214 4.340 -0.001 0.000 0.211 340 L C 2.137 179.020 176.870 0.021 0.000 1.107 340 L CA 0.507 55.345 54.840 -0.004 0.000 0.783 340 L CB -0.229 41.845 42.059 0.025 0.000 0.919 340 L HN 0.520 nan 8.230 nan 0.000 0.442 341 L N -0.292 120.962 121.223 0.051 0.000 2.044 341 L HA -0.116 4.223 4.340 -0.001 0.000 0.205 341 L C 2.453 179.316 176.870 -0.011 0.000 1.075 341 L CA 1.914 56.779 54.840 0.042 0.000 0.747 341 L CB -0.660 41.446 42.059 0.079 0.000 0.903 341 L HN 0.087 nan 8.230 nan 0.000 0.435 342 T N -0.848 113.699 114.554 -0.011 0.000 2.699 342 T HA -0.212 4.137 4.350 -0.001 0.000 0.268 342 T C 1.710 176.363 174.700 -0.079 0.000 1.036 342 T CA 2.077 64.155 62.100 -0.037 0.000 1.147 342 T CB -0.743 68.111 68.868 -0.023 0.000 0.862 342 T HN 0.466 nan 8.240 nan 0.000 0.446 343 T N 2.033 116.531 114.554 -0.093 0.000 2.708 343 T HA -0.033 4.316 4.350 -0.001 0.000 0.266 343 T C 2.461 177.007 174.700 -0.256 0.000 1.037 343 T CA 1.192 63.195 62.100 -0.161 0.000 1.146 343 T CB -0.670 68.118 68.868 -0.132 0.000 0.865 343 T HN 0.470 nan 8.240 nan 0.000 0.435 344 A N 1.469 124.149 122.820 -0.233 0.000 1.908 344 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 344 A C 2.303 179.745 177.584 -0.237 0.000 1.181 344 A CA 1.885 53.772 52.037 -0.250 0.000 0.627 344 A CB -0.818 18.100 19.000 -0.136 0.000 0.818 344 A HN 0.563 nan 8.150 nan 0.000 0.445 345 Q N -0.878 118.828 119.800 -0.157 0.000 2.096 345 Q HA -0.197 4.143 4.340 -0.001 0.000 0.204 345 Q C 2.056 177.956 176.000 -0.168 0.000 0.982 345 Q CA 1.616 57.339 55.803 -0.133 0.000 0.850 345 Q CB -0.136 28.553 28.738 -0.081 0.000 0.901 345 Q HN 0.597 nan 8.270 nan 0.000 0.422 346 E N -0.076 120.016 120.200 -0.179 0.000 2.107 346 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 346 E C 2.106 178.547 176.600 -0.265 0.000 0.982 346 E CA 0.618 56.909 56.400 -0.182 0.000 0.809 346 E CB -0.615 28.995 29.700 -0.150 0.000 0.756 346 E HN 0.365 nan 8.360 nan 0.000 0.459 347 C N 0.852 119.927 119.300 -0.375 0.000 2.413 347 C HA -0.121 4.339 4.460 -0.001 0.000 0.276 347 C C 2.732 177.195 174.990 -0.879 0.000 1.236 347 C CA 0.557 59.221 59.018 -0.589 0.000 1.735 347 C CB -1.141 26.210 27.740 -0.649 0.000 2.031 347 C HN 0.339 nan 8.230 nan 0.000 0.474 348 I N 0.615 120.751 120.570 -0.723 0.000 2.208 348 I HA -0.195 3.975 4.170 -0.001 0.000 0.245 348 I C 2.882 178.879 176.117 -0.199 0.000 1.097 348 I CA 1.979 62.970 61.300 -0.515 0.000 1.363 348 I CB -0.681 37.170 38.000 -0.248 0.000 1.051 348 I HN 0.398 nan 8.210 nan 0.000 0.413 349 R N 0.691 121.086 120.500 -0.174 0.000 2.083 349 R HA -0.223 4.116 4.340 -0.001 0.000 0.237 349 R C 2.370 178.643 176.300 -0.045 0.000 1.137 349 R CA 1.570 57.621 56.100 -0.082 0.000 0.951 349 R CB -0.155 30.093 30.300 -0.087 0.000 0.851 349 R HN 0.347 nan 8.270 nan 0.000 0.434 350 Q N -0.166 119.578 119.800 -0.092 0.000 2.077 350 Q HA -0.223 4.116 4.340 -0.001 0.000 0.206 350 Q C 1.930 178.021 176.000 0.152 0.000 0.989 350 Q CA 1.580 57.378 55.803 -0.009 0.000 0.853 350 Q CB -0.425 28.287 28.738 -0.045 0.000 0.907 350 Q HN 0.513 nan 8.270 nan 0.000 0.418 351 W N 0.210 121.500 121.300 -0.017 0.000 2.342 351 W HA -0.107 4.552 4.660 -0.001 0.000 0.297 351 W C 2.280 178.786 176.519 -0.023 0.000 1.213 351 W CA 0.299 57.635 57.345 -0.016 0.000 1.251 351 W CB -1.202 28.256 29.460 -0.003 0.000 1.136 351 W HN -0.054 nan 8.180 nan 0.000 0.526 352 V N 0.841 120.874 119.914 0.198 0.000 2.255 352 V HA -0.323 3.797 4.120 -0.001 0.000 0.243 352 V C 2.316 178.448 176.094 0.064 0.000 1.038 352 V CA 2.196 64.558 62.300 0.104 0.000 1.008 352 V CB -0.854 31.008 31.823 0.064 0.000 0.645 352 V HN 0.061 nan 8.190 nan 0.000 0.449 353 M N 0.350 119.980 119.600 0.049 0.000 2.267 353 M HA -0.148 4.331 4.480 -0.001 0.000 0.263 353 M C 2.029 178.344 176.300 0.026 0.000 1.063 353 M CA 2.064 57.381 55.300 0.027 0.000 1.090 353 M CB -0.627 31.982 32.600 0.015 0.000 1.392 353 M HN 0.363 nan 8.290 nan 0.000 0.422 354 A N -0.015 122.834 122.820 0.048 0.000 2.218 354 A HA 0.414 4.734 4.320 -0.001 0.000 0.209 354 A C 1.851 179.436 177.584 0.001 0.000 1.168 354 A CA 0.767 52.819 52.037 0.025 0.000 0.804 354 A CB -0.645 18.382 19.000 0.044 0.000 0.834 354 A HN 0.668 nan 8.150 nan 0.000 0.482 355 G N -0.931 107.877 108.800 0.013 0.000 2.179 355 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.260 355 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.260 355 G C 0.880 175.766 174.900 -0.022 0.000 0.977 355 G CA 0.566 45.662 45.100 -0.006 0.000 0.641 355 G HN 0.429 nan 8.290 nan 0.000 0.533 356 L N -0.211 120.998 121.223 -0.022 0.000 2.141 356 L HA 0.211 4.551 4.340 -0.001 0.000 0.209 356 L C 1.636 178.465 176.870 -0.069 0.000 1.094 356 L CA 1.626 56.411 54.840 -0.091 0.000 0.763 356 L CB -0.213 41.734 42.059 -0.186 0.000 0.908 356 L HN 0.567 nan 8.230 nan 0.000 0.437 357 V N -5.065 114.861 119.914 0.020 0.000 3.040 357 V HA 0.568 4.687 4.120 -0.001 0.000 0.312 357 V C 0.091 176.209 176.094 0.039 0.000 1.115 357 V CA -1.056 61.266 62.300 0.037 0.000 0.998 357 V CB 1.627 33.513 31.823 0.106 0.000 1.042 357 V HN 0.095 nan 8.190 nan 0.000 0.433 358 S N 1.898 117.613 115.700 0.026 0.000 2.596 358 S HA 0.512 4.982 4.470 -0.001 0.000 0.260 358 S C 1.458 176.076 174.600 0.030 0.000 1.336 358 S CA 0.039 58.251 58.200 0.021 0.000 0.993 358 S CB 0.951 64.158 63.200 0.011 0.000 0.923 358 S HN 1.907 nan 8.310 nan 0.000 0.567 359 A N 0.819 123.651 122.820 0.021 0.000 2.019 359 A HA 0.135 4.455 4.320 -0.001 0.000 0.219 359 A C 2.175 179.770 177.584 0.019 0.000 1.164 359 A CA 1.614 53.662 52.037 0.019 0.000 0.644 359 A CB -1.326 17.681 19.000 0.011 0.000 0.805 359 A HN 1.107 nan 8.150 nan 0.000 0.449 360 A N -0.381 122.449 122.820 0.017 0.000 1.901 360 A HA 0.090 4.409 4.320 -0.001 0.000 0.210 360 A C 2.015 179.612 177.584 0.021 0.000 1.208 360 A CA 1.457 53.503 52.037 0.015 0.000 0.644 360 A CB -0.337 18.669 19.000 0.010 0.000 0.863 360 A HN 0.460 nan 8.150 nan 0.000 0.454 361 K N 0.031 120.446 120.400 0.026 0.000 2.152 361 K HA -0.105 4.215 4.320 -0.001 0.000 0.206 361 K C 1.863 178.496 176.600 0.055 0.000 1.048 361 K CA 1.639 57.948 56.287 0.036 0.000 0.933 361 K CB -0.562 31.959 32.500 0.035 0.000 0.721 361 K HN 0.347 nan 8.250 nan 0.000 0.447 362 G N 0.537 109.372 108.800 0.058 0.000 2.446 362 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.217 362 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.217 362 G C 1.315 176.234 174.900 0.032 0.000 1.168 362 G CA 0.858 45.995 45.100 0.061 0.000 0.771 362 G HN 0.425 nan 8.290 nan 0.000 0.551 363 Q N 0.158 119.971 119.800 0.021 0.000 2.084 363 Q HA -0.028 4.312 4.340 -0.001 0.000 0.202 363 Q C 3.019 179.028 176.000 0.014 0.000 0.978 363 Q CA 1.273 57.083 55.803 0.012 0.000 0.844 363 Q CB -0.286 28.457 28.738 0.009 0.000 0.898 363 Q HN 0.485 nan 8.270 nan 0.000 0.426 364 A N 0.739 123.572 122.820 0.020 0.000 1.933 364 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 364 A C 2.046 179.645 177.584 0.025 0.000 1.175 364 A CA 1.115 53.165 52.037 0.021 0.000 0.628 364 A CB -0.615 18.398 19.000 0.022 0.000 0.814 364 A HN 0.283 nan 8.150 nan 0.000 0.444 365 L N -0.986 120.258 121.223 0.035 0.000 2.027 365 L HA -0.146 4.193 4.340 -0.001 0.000 0.206 365 L C 2.796 179.671 176.870 0.008 0.000 1.074 365 L CA 1.763 56.624 54.840 0.035 0.000 0.745 365 L CB -0.908 41.195 42.059 0.073 0.000 0.898 365 L HN 0.323 nan 8.230 nan 0.000 0.433 366 T N -1.339 113.214 114.554 -0.001 0.000 2.759 366 T HA -0.262 4.088 4.350 -0.001 0.000 0.269 366 T C 1.853 176.554 174.700 0.001 0.000 1.042 366 T CA 1.368 63.460 62.100 -0.013 0.000 1.140 366 T CB -0.121 68.736 68.868 -0.018 0.000 0.864 366 T HN 0.170 nan 8.240 nan 0.000 0.455 367 Q N 1.033 120.838 119.800 0.009 0.000 2.096 367 Q HA 0.028 4.368 4.340 -0.001 0.000 0.197 367 Q C 2.110 178.127 176.000 0.028 0.000 0.964 367 Q CA 1.415 57.227 55.803 0.014 0.000 0.838 367 Q CB -0.238 28.507 28.738 0.012 0.000 0.906 367 Q HN 0.559 nan 8.270 nan 0.000 0.444 368 E N -0.607 119.611 120.200 0.030 0.000 2.118 368 E HA -0.201 4.149 4.350 -0.001 0.000 0.195 368 E C 1.675 178.316 176.600 0.069 0.000 0.992 368 E CA 1.134 57.560 56.400 0.043 0.000 0.804 368 E CB -0.128 29.587 29.700 0.024 0.000 0.741 368 E HN 0.448 nan 8.360 nan 0.000 0.458 369 A N 1.123 123.973 122.820 0.050 0.000 1.897 369 A HA -0.156 4.164 4.320 -0.001 0.000 0.215 369 A C 1.828 179.479 177.584 0.112 0.000 1.181 369 A CA 1.188 53.271 52.037 0.077 0.000 0.620 369 A CB -0.318 18.694 19.000 0.020 0.000 0.821 369 A HN 0.130 nan 8.150 nan 0.000 0.443 370 N N 0.940 119.674 118.700 0.057 0.000 2.084 370 N HA -0.138 4.602 4.740 -0.001 0.000 0.190 370 N C 1.140 176.670 175.510 0.033 0.000 1.030 370 N CA 1.630 54.699 53.050 0.033 0.000 0.849 370 N CB -0.519 37.973 38.487 0.008 0.000 1.012 370 N HN 0.425 nan 8.380 nan 0.000 0.423 371 D N 0.007 120.439 120.400 0.053 0.000 2.123 371 D HA -0.146 4.494 4.640 -0.001 0.000 0.196 371 D C 1.717 178.062 176.300 0.076 0.000 0.992 371 D CA 0.633 54.662 54.000 0.049 0.000 0.833 371 D CB -0.450 40.388 40.800 0.063 0.000 0.954 371 D HN 0.240 nan 8.370 nan 0.000 0.455 372 F N 0.909 120.850 119.950 -0.016 0.000 2.206 372 F HA -0.102 4.425 4.527 -0.001 0.000 0.298 372 F C 2.501 178.287 175.800 -0.022 0.000 1.090 372 F CA 1.118 59.114 58.000 -0.007 0.000 1.323 372 F CB -0.190 38.818 39.000 0.014 0.000 1.028 372 F HN -0.175 nan 8.300 nan 0.000 0.492 373 S N 0.332 116.033 115.700 0.001 0.000 2.368 373 S HA -0.197 4.272 4.470 -0.001 0.000 0.225 373 S C 1.975 176.410 174.600 -0.275 0.000 1.030 373 S CA 1.562 59.691 58.200 -0.117 0.000 0.999 373 S CB -0.527 62.679 63.200 0.010 0.000 0.844 373 S HN 0.461 nan 8.310 nan 0.000 0.459 374 N N 1.438 120.013 118.700 -0.208 0.000 2.205 374 N HA -0.076 4.664 4.740 -0.001 0.000 0.186 374 N C 1.697 177.049 175.510 -0.262 0.000 1.015 374 N CA 1.105 54.014 53.050 -0.235 0.000 0.862 374 N CB -0.550 37.852 38.487 -0.142 0.000 0.986 374 N HN 0.492 nan 8.380 nan 0.000 0.429 375 L N 0.012 121.076 121.223 -0.265 0.000 2.023 375 L HA -0.013 4.327 4.340 -0.001 0.000 0.205 375 L C 1.879 178.557 176.870 -0.321 0.000 1.073 375 L CA 0.939 55.624 54.840 -0.259 0.000 0.745 375 L CB -0.148 41.770 42.059 -0.235 0.000 0.900 375 L HN -0.003 nan 8.230 nan 0.000 0.435 376 I N 0.188 120.462 120.570 -0.493 0.000 2.394 376 I HA -0.270 3.899 4.170 -0.001 0.000 0.251 376 I C 2.488 178.441 176.117 -0.273 0.000 1.136 376 I CA 1.380 62.433 61.300 -0.410 0.000 1.425 376 I CB -0.961 36.694 38.000 -0.575 0.000 1.079 376 I HN 0.575 nan 8.210 nan 0.000 0.425 377 Q N 1.140 120.659 119.800 -0.469 0.000 2.050 377 Q HA -0.194 4.146 4.340 -0.001 0.000 0.202 377 Q C 2.305 178.091 176.000 -0.358 0.000 0.980 377 Q CA 2.303 57.627 55.803 -0.799 0.000 0.840 377 Q CB -0.025 27.882 28.738 -1.386 0.000 0.898 377 Q HN 0.434 nan 8.270 nan 0.000 0.424 378 A N 0.820 123.476 122.820 -0.274 0.000 1.902 378 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 378 A C 1.688 179.244 177.584 -0.048 0.000 1.181 378 A CA 1.788 53.742 52.037 -0.139 0.000 0.623 378 A CB -0.658 18.265 19.000 -0.128 0.000 0.818 378 A HN 0.505 nan 8.150 nan 0.000 0.443 379 D N -0.085 120.288 120.400 -0.045 0.000 2.117 379 D HA -0.081 4.558 4.640 -0.001 0.000 0.198 379 D C 1.877 178.243 176.300 0.110 0.000 0.982 379 D CA 0.969 54.993 54.000 0.039 0.000 0.828 379 D CB -0.265 40.574 40.800 0.064 0.000 0.967 379 D HN 0.440 nan 8.370 nan 0.000 0.464 380 L N 0.192 121.474 121.223 0.099 0.000 2.179 380 L HA 0.057 4.396 4.340 -0.001 0.000 0.208 380 L C 2.493 179.575 176.870 0.352 0.000 1.096 380 L CA 0.877 55.834 54.840 0.194 0.000 0.779 380 L CB -0.500 41.617 42.059 0.096 0.000 0.922 380 L HN 0.069 nan 8.230 nan 0.000 0.443 381 G N -0.658 108.324 108.800 0.303 0.000 2.469 381 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.219 381 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.219 381 G C 1.508 176.478 174.900 0.116 0.000 1.150 381 G CA 0.405 45.641 45.100 0.228 0.000 0.763 381 G HN 0.265 nan 8.290 nan 0.000 0.561 382 Q N 0.154 120.011 119.800 0.095 0.000 2.050 382 Q HA -0.016 4.324 4.340 -0.001 0.000 0.202 382 Q C 2.775 178.823 176.000 0.081 0.000 0.980 382 Q CA 0.953 56.796 55.803 0.067 0.000 0.840 382 Q CB -0.361 28.413 28.738 0.060 0.000 0.898 382 Q HN 0.583 nan 8.270 nan 0.000 0.424 383 I N 0.942 121.589 120.570 0.129 0.000 2.179 383 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 383 I C 2.627 178.808 176.117 0.107 0.000 1.088 383 I CA 1.215 62.601 61.300 0.143 0.000 1.357 383 I CB -0.295 37.830 38.000 0.207 0.000 1.051 383 I HN 0.201 nan 8.210 nan 0.000 0.409 384 K N 1.543 121.994 120.400 0.084 0.000 2.032 384 K HA -0.238 4.082 4.320 -0.001 0.000 0.209 384 K C 2.196 178.752 176.600 -0.073 0.000 1.048 384 K CA 1.793 58.024 56.287 -0.093 0.000 0.927 384 K CB -0.202 32.043 32.500 -0.425 0.000 0.712 384 K HN 0.284 nan 8.250 nan 0.000 0.441 385 A N 1.047 123.845 122.820 -0.037 0.000 1.902 385 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 385 A C 2.067 179.636 177.584 -0.025 0.000 1.181 385 A CA 1.730 53.747 52.037 -0.033 0.000 0.623 385 A CB -0.548 18.443 19.000 -0.016 0.000 0.818 385 A HN 0.552 nan 8.150 nan 0.000 0.443 386 Q N -0.688 119.109 119.800 -0.004 0.000 2.049 386 Q HA -0.147 4.193 4.340 -0.001 0.000 0.198 386 Q C 1.616 177.591 176.000 -0.042 0.000 0.971 386 Q CA 1.383 57.173 55.803 -0.022 0.000 0.833 386 Q CB -0.214 28.532 28.738 0.013 0.000 0.896 386 Q HN 0.572 nan 8.270 nan 0.000 0.434 387 D N 0.789 121.232 120.400 0.070 0.000 2.097 387 D HA -0.146 4.494 4.640 -0.001 0.000 0.195 387 D C 1.423 177.798 176.300 0.125 0.000 0.989 387 D CA 1.146 55.277 54.000 0.218 0.000 0.827 387 D CB -0.290 40.658 40.800 0.246 0.000 0.966 387 D HN 0.139 nan 8.370 nan 0.000 0.456 388 D N 0.525 120.953 120.400 0.046 0.000 2.103 388 D HA -0.168 4.471 4.640 -0.001 0.000 0.190 388 D C 2.022 178.347 176.300 0.042 0.000 0.997 388 D CA 1.735 55.762 54.000 0.045 0.000 0.833 388 D CB -0.580 40.208 40.800 -0.019 0.000 0.961 388 D HN 0.165 nan 8.370 nan 0.000 0.447 389 A N 0.501 123.304 122.820 -0.028 0.000 1.873 389 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 389 A C 2.465 179.979 177.584 -0.116 0.000 1.193 389 A CA 1.430 53.430 52.037 -0.062 0.000 0.629 389 A CB -0.916 18.037 19.000 -0.077 0.000 0.826 389 A HN 0.246 nan 8.150 nan 0.000 0.447 390 L N -2.460 118.612 121.223 -0.253 0.000 2.072 390 L HA -0.129 4.210 4.340 -0.001 0.000 0.205 390 L C 2.589 179.285 176.870 -0.291 0.000 1.079 390 L CA 1.588 56.143 54.840 -0.476 0.000 0.752 390 L CB -0.709 40.644 42.059 -1.175 0.000 0.906 390 L HN 0.603 nan 8.230 nan 0.000 0.436 391 Y N 1.135 121.351 120.300 -0.141 0.000 2.165 391 Y HA -0.320 4.230 4.550 -0.001 0.000 0.286 391 Y C 2.361 178.288 175.900 0.046 0.000 1.155 391 Y CA 2.107 60.288 58.100 0.136 0.000 1.164 391 Y CB -0.227 38.356 38.460 0.206 0.000 0.978 391 Y HN 0.186 nan 8.280 nan 0.000 0.513 392 N N -0.573 118.108 118.700 -0.031 0.000 2.244 392 N HA -0.154 4.585 4.740 -0.001 0.000 0.183 392 N C 1.499 176.930 175.510 -0.133 0.000 1.016 392 N CA 1.678 54.667 53.050 -0.100 0.000 0.866 392 N CB -0.005 38.492 38.487 0.018 0.000 0.980 392 N HN 0.549 nan 8.380 nan 0.000 0.430 393 Q N -1.685 118.042 119.800 -0.121 0.000 2.353 393 Q HA 0.176 4.515 4.340 -0.001 0.000 0.240 393 Q C -0.176 175.764 176.000 -0.099 0.000 0.868 393 Q CA 0.153 55.895 55.803 -0.101 0.000 0.944 393 Q CB 1.039 29.724 28.738 -0.088 0.000 1.104 393 Q HN 0.201 nan 8.270 nan 0.000 0.531 394 Q N 1.545 121.278 119.800 -0.111 0.000 2.325 394 Q HA 0.336 4.675 4.340 -0.001 0.000 0.270 394 Q C -2.663 173.318 176.000 -0.031 0.000 1.020 394 Q CA -2.007 53.756 55.803 -0.066 0.000 0.785 394 Q CB 2.108 30.804 28.738 -0.070 0.000 1.259 394 Q HN -0.015 nan 8.270 nan 0.000 0.452 395 P HA 0.233 nan 4.420 nan 0.000 0.280 395 P C 0.287 177.604 177.300 0.028 0.000 1.244 395 P CA 0.382 63.466 63.100 -0.026 0.000 0.784 395 P CB 0.895 32.574 31.700 -0.035 0.000 0.913 396 G N 1.156 109.983 108.800 0.046 0.000 2.141 396 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.242 396 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.242 396 G C -0.305 174.645 174.900 0.082 0.000 0.982 396 G CA -0.394 44.744 45.100 0.064 0.000 0.662 396 G HN 0.570 nan 8.290 nan 0.000 0.527 397 Y N 1.616 121.921 120.300 0.008 0.000 2.402 397 Y HA 0.538 5.087 4.550 -0.001 0.000 0.333 397 Y C 0.500 176.438 175.900 0.063 0.000 1.076 397 Y CA -0.456 57.665 58.100 0.035 0.000 1.299 397 Y CB 0.776 39.270 38.460 0.057 0.000 1.197 397 Y HN 0.621 nan 8.280 nan 0.000 0.517 398 A N 8.087 130.504 122.820 -0.673 0.000 2.269 398 A HA 0.445 4.764 4.320 -0.001 0.000 0.302 398 A C 0.016 177.161 177.584 -0.733 0.000 1.266 398 A CA -0.807 50.906 52.037 -0.540 0.000 0.894 398 A CB 0.114 18.891 19.000 -0.373 0.000 1.147 398 A HN 0.911 nan 8.150 nan 0.000 0.537 399 R N 1.366 121.685 120.500 -0.302 0.000 2.679 399 R HA 0.111 4.451 4.340 -0.001 0.000 0.268 399 R C 0.649 176.940 176.300 -0.015 0.000 1.044 399 R CA 0.131 56.186 56.100 -0.075 0.000 1.105 399 R CB 0.682 31.055 30.300 0.122 0.000 0.989 399 R HN 0.795 nan 8.270 nan 0.000 0.447 400 R N 1.502 122.017 120.500 0.025 0.000 2.206 400 R HA 0.179 4.519 4.340 -0.001 0.000 0.198 400 R C 0.668 177.020 176.300 0.087 0.000 0.986 400 R CA 0.661 56.789 56.100 0.047 0.000 1.029 400 R CB 0.185 30.518 30.300 0.054 0.000 0.966 400 R HN 0.560 nan 8.270 nan 0.000 0.487 401 I N -3.690 116.897 120.570 0.029 0.000 3.195 401 I HA 0.372 4.541 4.170 -0.001 0.000 0.313 401 I C -1.101 174.745 176.117 -0.452 0.000 1.237 401 I CA -1.421 59.834 61.300 -0.076 0.000 0.963 401 I CB 1.938 39.913 38.000 -0.043 0.000 1.278 401 I HN -0.308 nan 8.210 nan 0.000 0.460 402 K N 2.387 122.443 120.400 -0.573 0.000 2.401 402 K HA 0.334 4.654 4.320 -0.001 0.000 0.278 402 K C -2.300 174.118 176.600 -0.304 0.000 1.018 402 K CA -1.124 54.631 56.287 -0.885 0.000 0.981 402 K CB 0.391 32.792 32.500 -0.165 0.000 0.933 402 K HN 0.373 nan 8.250 nan 0.000 0.477 403 P HA -0.070 nan 4.420 nan 0.000 0.264 403 P C -1.001 176.336 177.300 0.062 0.000 1.179 403 P CA 0.417 63.450 63.100 -0.113 0.000 0.763 403 P CB 0.177 31.811 31.700 -0.109 0.000 0.806 404 F N 1.147 121.049 119.950 -0.081 0.000 2.650 404 F HA 0.741 5.268 4.527 -0.001 0.000 0.320 404 F C -1.035 174.734 175.800 -0.051 0.000 1.091 404 F CA -1.614 56.343 58.000 -0.073 0.000 0.962 404 F CB 0.777 39.708 39.000 -0.114 0.000 1.363 404 F HN 0.189 nan 8.300 nan 0.000 0.482 405 V N -0.110 119.891 119.914 0.145 0.000 2.667 405 V HA 0.481 4.601 4.120 -0.001 0.000 0.308 405 V C 0.222 176.440 176.094 0.205 0.000 1.048 405 V CA -0.760 61.577 62.300 0.061 0.000 0.928 405 V CB 1.473 33.316 31.823 0.032 0.000 1.004 405 V HN 0.904 nan 8.190 nan 0.000 0.444 406 N N 3.321 122.131 118.700 0.182 0.000 2.289 406 N HA -0.078 4.662 4.740 -0.001 0.000 0.184 406 N C 1.850 177.541 175.510 0.302 0.000 1.016 406 N CA 1.688 54.950 53.050 0.352 0.000 0.872 406 N CB -0.280 38.369 38.487 0.270 0.000 0.973 406 N HN 1.019 nan 8.380 nan 0.000 0.433 407 G N 0.733 109.629 108.800 0.160 0.000 2.537 407 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.220 407 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.220 407 G C 0.951 175.896 174.900 0.074 0.000 1.111 407 G CA 0.543 45.711 45.100 0.113 0.000 0.748 407 G HN 0.228 nan 8.290 nan 0.000 0.564 408 D N -0.696 119.707 120.400 0.005 0.000 2.378 408 D HA -0.001 4.639 4.640 -0.001 0.000 0.227 408 D C 1.372 177.530 176.300 -0.238 0.000 1.012 408 D CA 0.238 54.145 54.000 -0.155 0.000 0.905 408 D CB -0.107 40.536 40.800 -0.261 0.000 0.895 408 D HN 0.672 nan 8.370 nan 0.000 0.532 409 W N 0.821 122.129 121.300 0.012 0.000 3.114 409 W HA 0.044 4.704 4.660 -0.001 0.000 0.279 409 W C 1.269 177.779 176.519 -0.016 0.000 1.277 409 W CA -0.119 57.215 57.345 -0.018 0.000 1.630 409 W CB -0.117 29.336 29.460 -0.011 0.000 1.087 409 W HN -0.199 nan 8.180 nan 0.000 0.637 410 T N -1.499 113.164 114.554 0.181 0.000 2.795 410 T HA 0.041 4.391 4.350 -0.001 0.000 0.314 410 T C -1.501 173.236 174.700 0.062 0.000 1.069 410 T CA -1.009 61.153 62.100 0.103 0.000 1.071 410 T CB 1.163 70.074 68.868 0.071 0.000 0.988 410 T HN -0.243 nan 8.240 nan 0.000 0.543 411 P HA 0.107 nan 4.420 nan 0.000 0.221 411 P C 1.429 178.735 177.300 0.010 0.000 1.150 411 P CA 1.414 64.526 63.100 0.020 0.000 0.800 411 P CB -0.655 31.054 31.700 0.014 0.000 0.787 412 G N 0.180 108.988 108.800 0.014 0.000 2.672 412 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.324 412 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.324 412 G C 0.682 175.589 174.900 0.013 0.000 1.286 412 G CA 0.946 46.052 45.100 0.011 0.000 1.004 412 G HN 0.284 nan 8.290 nan 0.000 0.548 413 M N 1.765 121.374 119.600 0.016 0.000 2.571 413 M HA 0.286 4.766 4.480 -0.001 0.000 0.235 413 M C 2.176 178.496 176.300 0.035 0.000 1.216 413 M CA 1.297 56.615 55.300 0.030 0.000 0.979 413 M CB -0.157 32.469 32.600 0.044 0.000 1.616 413 M HN 0.522 nan 8.290 nan 0.000 0.469 414 T N -0.034 114.529 114.554 0.015 0.000 2.653 414 T HA -0.248 4.102 4.350 -0.001 0.000 0.268 414 T C 1.895 176.590 174.700 -0.009 0.000 1.035 414 T CA 1.894 63.995 62.100 0.002 0.000 1.154 414 T CB -0.299 68.562 68.868 -0.012 0.000 0.862 414 T HN 0.599 nan 8.240 nan 0.000 0.441 415 A N 1.119 123.934 122.820 -0.008 0.000 1.908 415 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 415 A C 2.315 179.888 177.584 -0.018 0.000 1.181 415 A CA 1.837 53.863 52.037 -0.018 0.000 0.627 415 A CB -0.729 18.264 19.000 -0.012 0.000 0.818 415 A HN 0.449 nan 8.150 nan 0.000 0.445 416 Q N -0.153 119.652 119.800 0.008 0.000 2.061 416 Q HA -0.058 4.282 4.340 -0.001 0.000 0.204 416 Q C 2.347 178.335 176.000 -0.020 0.000 0.984 416 Q CA 2.067 57.886 55.803 0.026 0.000 0.846 416 Q CB -0.672 28.117 28.738 0.085 0.000 0.902 416 Q HN 0.659 nan 8.270 nan 0.000 0.421 417 A N 0.101 122.917 122.820 -0.007 0.000 1.902 417 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 417 A C 2.062 179.534 177.584 -0.186 0.000 1.181 417 A CA 1.176 53.146 52.037 -0.111 0.000 0.623 417 A CB -0.683 18.323 19.000 0.011 0.000 0.818 417 A HN 0.346 nan 8.150 nan 0.000 0.443 418 L N -0.943 120.208 121.223 -0.119 0.000 2.141 418 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 418 L C 3.026 179.809 176.870 -0.145 0.000 1.094 418 L CA 0.846 55.605 54.840 -0.135 0.000 0.763 418 L CB -0.420 41.580 42.059 -0.098 0.000 0.908 418 L HN 0.448 nan 8.230 nan 0.000 0.437 419 A N -0.352 122.398 122.820 -0.116 0.000 1.872 419 A HA -0.121 4.198 4.320 -0.001 0.000 0.214 419 A C 2.328 179.846 177.584 -0.110 0.000 1.187 419 A CA 1.391 53.373 52.037 -0.091 0.000 0.614 419 A CB -0.792 18.176 19.000 -0.053 0.000 0.826 419 A HN 0.127 nan 8.150 nan 0.000 0.442 420 V N 0.304 120.124 119.914 -0.157 0.000 2.278 420 V HA -0.313 3.806 4.120 -0.001 0.000 0.251 420 V C 2.558 178.493 176.094 -0.264 0.000 1.062 420 V CA 2.272 64.461 62.300 -0.185 0.000 1.038 420 V CB -0.766 30.820 31.823 -0.395 0.000 0.646 420 V HN 0.576 nan 8.190 nan 0.000 0.447 421 L N -0.271 120.677 121.223 -0.459 0.000 2.217 421 L HA -0.038 4.302 4.340 -0.001 0.000 0.211 421 L C 2.614 179.273 176.870 -0.351 0.000 1.107 421 L CA 1.036 55.453 54.840 -0.704 0.000 0.783 421 L CB -0.704 41.005 42.059 -0.584 0.000 0.919 421 L HN 0.351 nan 8.230 nan 0.000 0.442 422 A N 0.110 122.809 122.820 -0.201 0.000 2.024 422 A HA -0.212 4.107 4.320 -0.001 0.000 0.220 422 A C 2.343 179.886 177.584 -0.069 0.000 1.164 422 A CA 2.123 54.093 52.037 -0.113 0.000 0.643 422 A CB -0.785 18.162 19.000 -0.088 0.000 0.806 422 A HN 0.507 nan 8.150 nan 0.000 0.451 423 T N -4.748 109.783 114.554 -0.038 0.000 3.100 423 T HA 0.119 4.469 4.350 -0.001 0.000 0.253 423 T C 1.090 175.628 174.700 -0.270 0.000 1.118 423 T CA 0.279 62.344 62.100 -0.057 0.000 1.058 423 T CB -0.485 68.387 68.868 0.007 0.000 0.953 423 T HN 0.162 nan 8.240 nan 0.000 0.515 424 F N 3.193 122.831 119.950 -0.521 0.000 2.748 424 F HA 0.166 4.692 4.527 -0.001 0.000 0.299 424 F C 2.314 177.885 175.800 -0.382 0.000 1.154 424 F CA 0.468 58.073 58.000 -0.658 0.000 1.446 424 F CB -0.527 38.297 39.000 -0.293 0.000 1.112 424 F HN 0.394 nan 8.300 nan 0.000 0.584 425 T N -2.881 111.618 114.554 -0.092 0.000 3.122 425 T HA 0.622 4.971 4.350 -0.001 0.000 0.250 425 T C 0.675 175.366 174.700 -0.014 0.000 1.067 425 T CA 0.216 62.295 62.100 -0.034 0.000 0.966 425 T CB -0.259 68.598 68.868 -0.018 0.000 1.002 425 T HN 0.059 nan 8.240 nan 0.000 0.542 426 A N 0.000 122.803 122.820 -0.028 0.000 2.254 426 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 426 A CA 0.000 52.074 52.037 0.062 0.000 0.836 426 A CB 0.000 19.018 19.000 0.030 0.000 0.831 426 A HN 0.000 nan 8.150 nan 0.000 0.486