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 1xvo_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGTSASAG DFPFIVSISR NGGPWCGGSL LNANTVLTAA HCVSGYAQSG DATA SEQUENCE FQIRAGSLSR TSGGITSSLS SVRVHPSYSG NNNDLAILKL STSIPSGGNI DATA SEQUENCE GYARLAASGS DPVAGSSATV AGWGATSEGG SSTPVNLLKV TVPIVSRATc DATA SEQUENCE RAQYGTSAIT NQMFcAGVSS GGKDSCQGDS GGPIVDSSNT LIGAVSWGNG DATA SEQUENCE CARPNYSGVY ASVGALRSFI DTYA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.166 4.170 -0.006 0.000 0.288 16 I C 0.000 176.115 176.117 -0.003 0.000 1.063 16 I CA 0.000 61.291 61.300 -0.015 0.000 1.566 16 I CB 0.000 37.973 38.000 -0.045 0.000 1.214 17 V N 5.723 125.641 119.914 0.006 0.000 2.427 17 V HA 0.259 4.385 4.120 0.009 0.000 0.286 17 V C 0.681 176.782 176.094 0.011 0.000 1.034 17 V CA -1.578 60.728 62.300 0.010 0.000 0.893 17 V CB 0.521 32.353 31.823 0.015 0.000 0.982 17 V HN 0.606 8.802 8.190 0.009 0.000 0.452 18 G N 6.416 115.221 108.800 0.009 0.000 2.147 18 G HA2 -0.358 3.607 3.960 0.009 0.000 0.244 18 G HA3 -0.358 3.754 3.960 0.012 -0.145 0.244 18 G C -0.634 174.269 174.900 0.006 0.000 1.005 18 G CA 0.234 45.340 45.100 0.009 0.000 0.713 18 G HN 0.562 8.857 8.290 0.008 0.000 0.515 19 G N -0.875 107.924 108.800 -0.000 0.000 2.531 19 G HA2 0.535 4.561 3.960 -0.001 0.000 0.313 19 G HA3 0.535 4.511 3.960 -0.015 -0.025 0.313 19 G C -1.216 173.680 174.900 -0.006 0.000 1.238 19 G CA -0.916 44.180 45.100 -0.006 0.000 0.994 19 G HN -0.646 7.643 8.290 -0.002 0.000 0.493 20 T N -3.655 110.894 114.554 -0.007 0.000 2.916 20 T HA 0.236 4.582 4.350 -0.006 0.000 0.292 20 T C -0.691 174.001 174.700 -0.014 0.000 1.064 20 T CA -2.031 60.065 62.100 -0.007 0.000 1.011 20 T CB 2.965 71.832 68.868 -0.001 0.000 1.152 20 T HN 0.199 8.435 8.240 -0.006 0.000 0.510 21 S N 1.295 116.987 115.700 -0.013 0.000 2.533 21 S HA -0.055 4.538 4.470 -0.033 -0.143 0.282 21 S C 0.394 174.987 174.600 -0.012 0.000 1.304 21 S CA 0.299 58.488 58.200 -0.018 0.000 1.063 21 S CB 0.082 63.276 63.200 -0.009 0.000 0.881 21 S HN 0.059 8.364 8.310 -0.009 0.000 0.493 22 A N 6.441 129.254 122.820 -0.012 0.000 2.445 22 A HA -0.150 4.282 4.320 0.028 -0.096 0.242 22 A C -0.271 177.305 177.584 -0.014 0.000 1.075 22 A CA 0.253 52.301 52.037 0.019 0.000 0.777 22 A CB 0.808 19.861 19.000 0.089 0.000 1.013 22 A HN -0.086 8.042 8.150 -0.038 0.000 0.493 23 S N 2.731 118.403 115.700 -0.046 0.000 2.632 23 S HA 0.074 4.525 4.470 -0.031 0.000 0.271 23 S C -0.082 174.484 174.600 -0.057 0.000 1.260 23 S CA 0.026 58.196 58.200 -0.051 0.000 1.010 23 S CB 1.483 64.642 63.200 -0.069 0.000 0.965 23 S HN 0.029 8.620 8.310 -0.067 -0.322 0.534 24 A N 1.417 124.216 122.820 -0.035 0.000 2.567 24 A HA -0.156 4.155 4.320 -0.014 0.000 0.240 24 A C 0.823 178.368 177.584 -0.065 0.000 1.053 24 A CA 1.679 53.698 52.037 -0.030 0.000 0.755 24 A CB -0.402 18.589 19.000 -0.015 0.000 0.978 24 A HN 0.282 8.416 8.150 -0.026 0.000 0.507 25 G N 3.819 112.577 108.800 -0.071 0.000 2.179 25 G HA2 -0.386 3.524 3.960 -0.084 0.000 0.260 25 G HA3 -0.386 3.521 3.960 -0.088 0.000 0.260 25 G C 0.146 174.927 174.900 -0.198 0.000 0.977 25 G CA 0.427 45.465 45.100 -0.102 0.000 0.641 25 G HN 0.364 8.625 8.290 -0.048 0.000 0.533 26 D N 1.021 121.243 120.400 -0.295 0.000 2.149 26 D HA -0.181 4.138 4.640 -0.535 0.000 0.198 26 D C 0.133 175.837 176.300 -0.993 0.000 0.990 26 D CA 2.574 56.185 54.000 -0.648 0.000 0.839 26 D CB 0.420 40.744 40.800 -0.794 0.000 0.948 26 D HN -0.221 7.950 8.370 -0.220 0.067 0.460 27 F N -5.217 114.584 119.950 -0.248 0.000 2.809 27 F HA 0.466 4.647 4.527 -0.576 0.000 0.369 27 F C -2.008 173.452 175.800 -0.567 0.000 1.225 27 F CA -3.632 54.032 58.000 -0.559 0.000 1.201 27 F CB -0.276 38.333 39.000 -0.652 0.000 1.527 27 F HN -0.564 7.543 8.300 -0.286 0.022 0.565 28 P HA -0.089 4.442 4.420 -0.059 -0.147 0.219 28 P C 0.494 177.786 177.300 -0.014 0.000 1.146 28 P CA 1.844 64.902 63.100 -0.070 0.000 0.808 28 P CB 0.190 31.901 31.700 0.019 0.000 0.779 29 F N -7.695 112.347 119.950 0.153 0.000 2.776 29 F HA 0.427 5.205 4.527 0.163 -0.153 0.300 29 F C -0.371 175.540 175.800 0.185 0.000 1.116 29 F CA -2.541 55.561 58.000 0.170 0.000 1.375 29 F CB -0.423 38.682 39.000 0.176 0.000 1.109 29 F HN -0.441 7.456 8.300 -0.584 0.053 0.585 30 I N 2.432 122.883 120.570 -0.199 0.000 2.588 30 I HA 0.145 4.551 4.170 0.153 -0.145 0.283 30 I C -0.818 175.428 176.117 0.215 0.000 1.119 30 I CA 0.113 61.436 61.300 0.038 0.000 1.419 30 I CB 1.514 39.466 38.000 -0.080 0.000 1.394 30 I HN -0.499 7.318 8.210 -0.399 0.154 0.562 31 V N 4.359 124.430 119.914 0.262 0.000 2.769 31 V HA 0.964 5.360 4.120 0.191 -0.162 0.312 31 V C -1.257 174.964 176.094 0.211 0.000 1.061 31 V CA -3.574 58.850 62.300 0.208 0.000 0.931 31 V CB 3.037 34.945 31.823 0.143 0.000 1.010 31 V HN 0.296 8.644 8.190 0.263 0.000 0.433 32 S N 2.268 117.909 115.700 -0.100 0.000 2.562 32 S HA 0.254 4.626 4.470 -0.163 0.000 0.275 32 S C -0.346 174.191 174.600 -0.105 0.000 1.281 32 S CA -1.201 56.790 58.200 -0.349 0.000 1.045 32 S CB 1.395 63.948 63.200 -1.077 0.000 0.962 32 S HN -0.060 8.164 8.310 -0.143 0.000 0.503 33 I N 4.395 124.967 120.570 0.003 0.000 2.405 33 I HA 0.327 4.705 4.170 0.094 -0.152 0.280 33 I C -0.756 175.471 176.117 0.184 0.000 1.027 33 I CA -0.983 60.389 61.300 0.119 0.000 1.161 33 I CB 0.549 38.651 38.000 0.171 0.000 1.300 33 I HN 0.760 8.982 8.210 0.020 0.000 0.463 34 S N 7.625 123.388 115.700 0.105 0.000 2.601 34 S HA 0.470 5.140 4.470 0.108 -0.135 0.271 34 S C -1.268 173.384 174.600 0.086 0.000 1.305 34 S CA 0.508 58.757 58.200 0.081 0.000 1.022 34 S CB 1.348 64.537 63.200 -0.018 0.000 0.940 34 S HN 0.358 8.703 8.310 0.058 0.000 0.525 35 R N 1.755 122.220 120.500 -0.058 0.000 2.538 35 R HA 0.477 4.740 4.340 -0.511 -0.230 0.292 35 R C -0.605 175.466 176.300 -0.380 0.000 1.008 35 R CA -0.721 55.117 56.100 -0.437 0.000 0.896 35 R CB 2.769 32.494 30.300 -0.958 0.000 1.187 35 R HN 0.304 8.574 8.270 -0.000 0.000 0.440 36 N N 5.883 124.347 118.700 -0.394 0.000 2.725 36 N HA -0.376 4.209 4.740 -0.258 0.000 0.249 36 N C -0.123 175.286 175.510 -0.169 0.000 1.103 36 N CA 1.553 54.437 53.050 -0.276 0.000 0.707 36 N CB -1.572 36.739 38.487 -0.294 0.000 1.043 36 N HN 0.968 9.073 8.380 -0.458 0.000 0.553 37 G N -6.029 102.689 108.800 -0.137 0.000 2.205 37 G HA2 -0.364 3.549 3.960 -0.078 0.000 0.261 37 G HA3 -0.364 3.548 3.960 -0.079 0.000 0.261 37 G C -0.606 174.258 174.900 -0.060 0.000 0.980 37 G CA 0.440 45.489 45.100 -0.085 0.000 0.632 37 G HN 0.354 8.521 8.290 -0.154 0.030 0.533 38 G N 0.011 108.780 108.800 -0.053 0.000 2.597 38 G HA2 0.560 4.516 3.960 -0.007 0.000 0.317 38 G HA3 0.560 4.523 3.960 0.005 0.000 0.317 38 G C -3.164 171.766 174.900 0.050 0.000 1.230 38 G CA -2.376 42.722 45.100 -0.004 0.000 0.996 38 G HN -0.459 7.606 8.290 -0.081 0.176 0.490 39 P HA -0.166 4.302 4.420 0.079 0.000 0.269 39 P C -1.881 175.596 177.300 0.295 0.000 1.209 39 P CA 0.514 63.690 63.100 0.127 0.000 0.776 39 P CB 0.848 32.613 31.700 0.109 0.000 0.876 40 W N 1.873 123.188 121.300 0.026 0.000 5.450 40 W HA 0.196 4.884 4.660 0.047 0.000 0.164 40 W C -1.957 174.613 176.519 0.085 0.000 1.291 40 W CA 0.348 57.726 57.345 0.055 0.000 1.920 40 W CB 1.950 31.452 29.460 0.070 0.000 0.571 40 W HN 0.080 8.409 8.180 0.248 0.000 1.104 41 C N -5.689 113.691 119.300 0.133 0.000 3.253 41 C HA 0.881 5.534 4.460 -0.025 -0.209 0.362 41 C C -1.908 173.159 174.990 0.128 0.000 1.487 41 C CA -1.462 57.563 59.018 0.012 0.000 1.179 41 C CB 2.351 29.997 27.740 -0.158 0.000 1.660 41 C HN -0.061 8.325 8.230 0.260 0.000 0.438 42 G N -1.783 107.093 108.800 0.126 0.000 2.735 42 G HA2 0.868 5.098 3.960 0.255 0.000 0.301 42 G HA3 0.868 4.975 3.960 0.244 0.000 0.301 42 G C -2.499 172.480 174.900 0.132 0.000 1.279 42 G CA -1.823 43.400 45.100 0.204 0.000 1.019 42 G HN 0.391 8.722 8.290 0.068 0.000 0.497 43 G N -3.759 105.142 108.800 0.168 0.000 2.548 43 G HA2 0.547 4.846 3.960 0.118 0.000 0.301 43 G HA3 0.547 4.577 3.960 0.116 0.000 0.301 43 G C -2.864 172.164 174.900 0.215 0.000 1.349 43 G CA 0.213 45.399 45.100 0.143 0.000 0.792 43 G HN -0.243 8.179 8.290 0.219 0.000 0.481 44 S N -0.632 115.198 115.700 0.218 0.000 2.594 44 S HA 0.591 5.512 4.470 0.497 -0.152 0.296 44 S C -1.522 173.227 174.600 0.247 0.000 1.124 44 S CA -0.670 57.734 58.200 0.340 0.000 1.011 44 S CB 3.362 66.724 63.200 0.269 0.000 1.016 44 S HN 0.258 8.664 8.310 0.161 0.000 0.485 45 L N 6.436 127.859 121.223 0.333 0.000 2.369 45 L HA 0.168 4.749 4.340 0.179 -0.133 0.279 45 L C -0.825 176.173 176.870 0.214 0.000 1.108 45 L CA -0.318 54.680 54.840 0.264 0.000 0.852 45 L CB 0.359 42.629 42.059 0.352 0.000 1.169 45 L HN 0.636 9.031 8.230 0.454 0.108 0.452 46 L N 5.931 127.183 121.223 0.048 0.000 2.249 46 L HA -0.048 4.285 4.340 -0.011 0.000 0.207 46 L C 0.007 176.736 176.870 -0.235 0.000 1.090 46 L CA 1.159 55.970 54.840 -0.048 0.000 0.802 46 L CB 0.439 42.454 42.059 -0.074 0.000 0.947 46 L HN 0.529 8.775 8.230 0.027 0.000 0.453 47 N N -5.681 112.737 118.700 -0.471 0.000 3.339 47 N HA 0.054 3.590 4.740 -2.006 0.000 0.275 47 N C -0.893 174.146 175.510 -0.785 0.000 1.514 47 N CA -0.436 51.996 53.050 -1.030 0.000 0.879 47 N CB 0.936 39.114 38.487 -0.515 0.000 1.557 47 N HN -0.910 7.296 8.380 -0.290 0.000 0.524 48 A N -3.114 119.339 122.820 -0.611 0.000 2.070 48 A HA -0.084 4.471 4.320 0.091 -0.180 0.220 48 A C 0.631 178.191 177.584 -0.040 0.000 1.159 48 A CA 2.413 54.389 52.037 -0.101 0.000 0.656 48 A CB -0.032 18.984 19.000 0.027 0.000 0.800 48 A HN 0.452 8.224 8.150 -0.630 0.000 0.453 49 N N -7.915 110.725 118.700 -0.099 0.000 2.187 49 N HA 0.117 4.846 4.740 -0.017 0.000 0.212 49 N C -1.704 173.780 175.510 -0.043 0.000 1.152 49 N CA -0.720 52.302 53.050 -0.047 0.000 0.872 49 N CB 2.096 40.557 38.487 -0.044 0.000 1.025 49 N HN -0.233 8.244 8.380 -0.168 -0.197 0.514 50 T N 2.341 116.861 114.554 -0.057 0.000 3.032 50 T HA 0.671 5.217 4.350 -0.033 -0.216 0.312 50 T C -2.196 172.495 174.700 -0.015 0.000 1.078 50 T CA 0.093 62.165 62.100 -0.046 0.000 1.028 50 T CB 3.384 72.204 68.868 -0.079 0.000 1.091 50 T HN -0.637 7.592 8.240 -0.081 -0.037 0.457 51 V N 5.508 125.424 119.914 0.003 0.000 2.555 51 V HA 0.610 4.941 4.120 0.054 -0.179 0.302 51 V C -2.306 173.800 176.094 0.019 0.000 1.038 51 V CA -1.946 60.373 62.300 0.032 0.000 0.887 51 V CB 3.041 34.891 31.823 0.044 0.000 0.991 51 V HN 0.673 8.859 8.190 -0.006 0.000 0.434 52 L N 7.950 129.198 121.223 0.041 0.000 2.289 52 L HA 0.832 5.367 4.340 0.041 -0.170 0.285 52 L C -1.571 175.331 176.870 0.053 0.000 1.049 52 L CA -1.343 53.525 54.840 0.047 0.000 0.804 52 L CB 2.499 44.590 42.059 0.053 0.000 1.195 52 L HN 0.644 8.909 8.230 0.058 0.000 0.428 53 T N 5.968 120.540 114.554 0.030 0.000 2.696 53 T HA 0.454 4.992 4.350 0.023 -0.174 0.291 53 T C -1.999 172.681 174.700 -0.033 0.000 1.095 53 T CA -2.775 59.324 62.100 -0.002 0.000 1.026 53 T CB 2.521 71.366 68.868 -0.039 0.000 1.390 53 T HN 0.232 8.491 8.240 0.031 0.000 0.513 54 A N -0.233 122.524 122.820 -0.105 0.000 2.388 54 A HA 0.280 4.755 4.320 -0.091 -0.209 0.257 54 A C 0.882 178.320 177.584 -0.243 0.000 1.095 54 A CA -0.599 51.339 52.037 -0.164 0.000 0.791 54 A CB 0.819 19.653 19.000 -0.276 0.000 1.029 54 A HN 0.385 8.464 8.150 -0.117 0.000 0.489 55 A N 4.845 127.477 122.820 -0.312 0.000 1.940 55 A HA -0.294 3.805 4.320 -0.369 0.000 0.219 55 A C 1.507 178.912 177.584 -0.298 0.000 1.176 55 A CA 3.174 54.907 52.037 -0.507 0.000 0.631 55 A CB -0.684 17.547 19.000 -1.282 0.000 0.814 55 A HN 0.611 8.576 8.150 -0.287 0.012 0.446 56 H N -4.806 114.196 119.070 -0.113 0.000 2.521 56 H HA -0.170 4.487 4.556 0.169 0.000 0.286 56 H C 1.167 176.638 175.328 0.239 0.000 1.034 56 H CA 2.488 58.610 56.048 0.123 0.000 1.278 56 H CB -1.394 28.469 29.762 0.168 0.000 1.386 56 H HN -0.060 8.460 8.280 -0.073 -0.284 0.567 57 C N -2.319 116.861 119.300 -0.200 0.000 2.432 57 C HA -0.153 4.461 4.460 0.256 0.000 0.280 57 C C 1.380 176.697 174.990 0.545 0.000 1.353 57 C CA 2.896 62.004 59.018 0.149 0.000 1.766 57 C CB -1.326 26.356 27.740 -0.097 0.000 1.924 57 C HN -0.318 7.610 8.230 -0.448 0.033 0.509 58 V N -6.491 113.565 119.914 0.237 0.000 3.480 58 V HA 0.184 4.504 4.120 0.334 0.000 0.263 58 V C -0.305 175.883 176.094 0.156 0.000 1.442 58 V CA 0.081 62.472 62.300 0.151 0.000 1.053 58 V CB 1.021 32.701 31.823 -0.239 0.000 0.846 58 V HN -0.496 7.705 8.190 0.098 0.048 0.440 59 S N 3.552 119.258 115.700 0.010 0.000 2.546 59 S HA -0.215 4.243 4.470 -0.020 0.000 0.290 59 S C 1.219 175.711 174.600 -0.180 0.000 1.262 59 S CA 2.532 60.706 58.200 -0.043 0.000 1.083 59 S CB -0.173 63.065 63.200 0.062 0.000 0.859 59 S HN -0.075 8.252 8.310 0.027 0.000 0.495 60 G N 6.354 115.111 108.800 -0.072 0.000 2.212 60 G HA2 -0.360 3.589 3.960 -0.019 0.000 0.266 60 G HA3 -0.360 3.523 3.960 -0.128 0.000 0.266 60 G C -1.046 173.842 174.900 -0.021 0.000 0.978 60 G CA 0.293 45.347 45.100 -0.077 0.000 0.632 60 G HN 0.492 8.774 8.290 -0.014 0.000 0.537 61 Y N 0.212 120.602 120.300 0.150 0.000 2.298 61 Y HA -0.105 4.485 4.550 0.067 0.000 0.329 61 Y C -0.480 175.485 175.900 0.109 0.000 1.293 61 Y CA -1.008 57.169 58.100 0.129 0.000 1.388 61 Y CB 0.710 39.302 38.460 0.220 0.000 1.309 61 Y HN -0.779 7.467 8.280 0.080 0.082 0.544 62 A N 0.785 123.713 122.820 0.179 0.000 2.484 62 A HA 0.081 4.454 4.320 0.087 0.000 0.268 62 A C 0.985 178.624 177.584 0.091 0.000 1.114 62 A CA 0.015 52.093 52.037 0.068 0.000 0.780 62 A CB 0.159 19.136 19.000 -0.038 0.000 1.061 62 A HN -0.037 8.199 8.150 0.144 0.000 0.505 63 Q N 4.113 124.022 119.800 0.181 0.000 2.291 63 Q HA -0.275 4.393 4.340 0.547 0.000 0.205 63 Q C 1.055 177.171 176.000 0.193 0.000 0.970 63 Q CA 2.746 58.740 55.803 0.318 0.000 0.876 63 Q CB -0.482 28.384 28.738 0.213 0.000 0.935 63 Q HN 0.771 9.120 8.270 0.132 0.000 0.455 64 S N -1.751 113.973 115.700 0.040 0.000 2.474 64 S HA -0.182 4.301 4.470 0.022 0.000 0.235 64 S C 1.093 175.623 174.600 -0.117 0.000 0.997 64 S CA 1.681 59.872 58.200 -0.015 0.000 0.949 64 S CB -0.677 62.505 63.200 -0.029 0.000 0.766 64 S HN -0.080 8.220 8.310 0.031 0.029 0.517 65 G N -1.112 107.515 108.800 -0.289 0.000 2.598 65 G HA2 -0.026 3.720 3.960 -0.356 0.000 0.215 65 G HA3 -0.026 3.521 3.960 -0.689 0.000 0.215 65 G C -0.941 173.606 174.900 -0.588 0.000 1.131 65 G CA 0.322 45.116 45.100 -0.509 0.000 0.785 65 G HN -0.565 7.450 8.290 -0.280 0.107 0.539 66 F N -0.423 119.468 119.950 -0.098 0.000 2.399 66 F HA 0.707 5.401 4.527 -0.102 -0.228 0.334 66 F C -1.414 174.358 175.800 -0.046 0.000 1.097 66 F CA -1.181 56.775 58.000 -0.075 0.000 1.076 66 F CB 2.307 41.289 39.000 -0.030 0.000 1.162 66 F HN -0.753 7.406 8.300 -0.127 0.065 0.495 67 Q N 1.727 121.610 119.800 0.139 0.000 2.304 67 Q HA 0.480 4.994 4.340 0.075 -0.129 0.270 67 Q C -1.746 174.293 176.000 0.064 0.000 1.035 67 Q CA -1.286 54.559 55.803 0.070 0.000 0.781 67 Q CB 4.449 33.193 28.738 0.010 0.000 1.261 67 Q HN 0.283 8.644 8.270 0.151 0.000 0.444 68 I N 6.118 126.720 120.570 0.054 0.000 2.440 68 I HA 0.697 5.097 4.170 0.032 -0.211 0.294 68 I C -1.267 174.855 176.117 0.009 0.000 0.995 68 I CA -1.664 59.657 61.300 0.036 0.000 1.306 68 I CB 1.592 39.623 38.000 0.051 0.000 1.407 68 I HN 0.623 8.867 8.210 0.058 0.000 0.501 69 R N 6.069 126.558 120.500 -0.019 0.000 2.532 69 R HA 0.639 5.161 4.340 0.001 -0.182 0.297 69 R C -2.329 173.981 176.300 0.017 0.000 0.984 69 R CA -1.748 54.339 56.100 -0.021 0.000 0.884 69 R CB 3.951 34.203 30.300 -0.080 0.000 1.182 69 R HN 0.179 8.428 8.270 -0.034 0.000 0.442 70 A N 3.856 126.708 122.820 0.053 0.000 2.354 70 A HA 0.722 5.110 4.320 0.113 0.000 0.321 70 A C -1.005 176.626 177.584 0.078 0.000 1.125 70 A CA -2.346 49.745 52.037 0.090 0.000 0.799 70 A CB 3.243 22.308 19.000 0.109 0.000 1.293 70 A HN 0.438 8.616 8.150 0.046 0.000 0.452 71 G N -0.638 108.215 108.800 0.089 0.000 2.136 71 G HA2 -0.446 3.548 3.960 0.057 0.000 0.242 71 G HA3 -0.446 3.545 3.960 0.052 0.000 0.242 71 G C -1.388 173.557 174.900 0.076 0.000 0.989 71 G CA 0.375 45.515 45.100 0.066 0.000 0.682 71 G HN 0.647 8.999 8.290 0.104 0.000 0.522 72 S N -1.824 113.946 115.700 0.118 0.000 2.569 72 S HA 0.216 4.750 4.470 0.106 0.000 0.280 72 S C -0.287 174.463 174.600 0.251 0.000 1.111 72 S CA -2.028 56.254 58.200 0.136 0.000 0.887 72 S CB 1.349 64.606 63.200 0.095 0.000 1.095 72 S HN -0.526 7.833 8.310 0.142 0.036 0.476 73 L N 2.554 123.913 121.223 0.226 0.000 2.509 73 L HA 0.130 4.669 4.340 0.330 0.000 0.222 73 L C -0.123 177.041 176.870 0.489 0.000 1.123 73 L CA 0.295 55.314 54.840 0.298 0.000 0.856 73 L CB 0.129 42.279 42.059 0.151 0.000 0.985 73 L HN 0.408 8.735 8.230 0.162 0.000 0.456 74 S N -2.491 113.407 115.700 0.330 0.000 2.651 74 S HA 0.335 5.245 4.470 0.387 -0.208 0.291 74 S C -0.071 174.496 174.600 -0.055 0.000 1.141 74 S CA -1.542 56.801 58.200 0.238 0.000 1.027 74 S CB 1.731 64.996 63.200 0.107 0.000 1.043 74 S HN -0.586 7.821 8.310 0.229 0.040 0.530 75 R N 3.320 123.609 120.500 -0.351 0.000 2.200 75 R HA -0.005 3.885 4.340 -0.751 0.000 0.208 75 R C 1.187 177.337 176.300 -0.251 0.000 1.033 75 R CA 2.191 57.954 56.100 -0.563 0.000 1.000 75 R CB 0.838 30.753 30.300 -0.642 0.000 0.906 75 R HN 0.449 8.577 8.270 -0.237 0.000 0.462 76 T N -5.210 109.266 114.554 -0.130 0.000 3.044 76 T HA 0.169 4.466 4.350 -0.088 0.000 0.260 76 T C -0.546 174.129 174.700 -0.042 0.000 1.019 76 T CA -0.250 61.804 62.100 -0.076 0.000 0.921 76 T CB 0.755 69.594 68.868 -0.049 0.000 1.053 76 T HN -0.270 7.862 8.240 -0.100 0.048 0.533 77 S N -0.240 115.443 115.700 -0.028 0.000 2.615 77 S HA 0.091 4.553 4.470 -0.013 0.000 0.269 77 S C -1.745 172.858 174.600 0.005 0.000 1.161 77 S CA -0.363 57.832 58.200 -0.008 0.000 0.817 77 S CB 2.122 65.324 63.200 0.003 0.000 1.131 77 S HN -0.821 7.470 8.310 -0.032 0.000 0.467 78 G N -0.876 107.930 108.800 0.011 0.000 2.730 78 G HA2 -0.304 3.668 3.960 0.020 0.000 0.686 78 G HA3 -0.304 3.674 3.960 0.030 0.000 0.686 78 G C -0.536 174.376 174.900 0.020 0.000 1.343 78 G CA -0.275 44.837 45.100 0.021 0.000 0.826 78 G HN 0.294 8.588 8.290 0.007 0.000 0.582 79 G N 0.966 109.782 108.800 0.026 0.000 2.569 79 G HA2 -0.352 3.626 3.960 0.030 0.000 0.259 79 G HA3 -0.352 3.829 3.960 0.035 -0.200 0.259 79 G C -0.944 173.970 174.900 0.024 0.000 1.263 79 G CA 0.108 45.225 45.100 0.029 0.000 0.928 79 G HN 0.030 8.335 8.290 0.025 0.000 0.572 80 I N 3.200 123.788 120.570 0.029 0.000 2.498 80 I HA 0.327 4.511 4.170 0.024 0.000 0.290 80 I C -0.698 175.436 176.117 0.028 0.000 1.032 80 I CA -1.970 59.348 61.300 0.030 0.000 1.073 80 I CB 1.782 39.806 38.000 0.040 0.000 1.251 80 I HN 0.134 8.365 8.210 0.035 0.000 0.426 81 T N 3.144 117.711 114.554 0.021 0.000 2.952 81 T HA 0.857 5.406 4.350 0.018 -0.189 0.286 81 T C -0.593 174.123 174.700 0.026 0.000 1.024 81 T CA -2.350 59.760 62.100 0.017 0.000 1.029 81 T CB 1.780 70.650 68.868 0.004 0.000 1.094 81 T HN 0.143 8.394 8.240 0.019 0.000 0.515 82 S N 0.847 116.565 115.700 0.029 0.000 2.537 82 S HA 0.170 4.657 4.470 0.028 0.000 0.270 82 S C -1.447 173.176 174.600 0.037 0.000 1.142 82 S CA -0.835 57.385 58.200 0.033 0.000 0.870 82 S CB 2.016 65.239 63.200 0.039 0.000 1.112 82 S HN 0.227 8.554 8.310 0.028 0.000 0.466 83 S N 4.619 120.340 115.700 0.035 0.000 2.661 83 S HA 0.237 4.742 4.470 0.059 0.000 0.265 83 S C -0.425 174.207 174.600 0.053 0.000 1.225 83 S CA 0.097 58.325 58.200 0.047 0.000 0.986 83 S CB 1.354 64.573 63.200 0.033 0.000 1.008 83 S HN 0.438 8.765 8.310 0.029 0.000 0.565 84 L N -0.682 120.583 121.223 0.069 0.000 2.322 84 L HA 0.266 4.757 4.340 0.045 -0.124 0.279 84 L C 0.521 177.418 176.870 0.045 0.000 1.036 84 L CA -0.537 54.339 54.840 0.060 0.000 0.807 84 L CB 1.247 43.356 42.059 0.084 0.000 1.226 84 L HN 0.492 8.772 8.230 0.083 0.000 0.433 85 S N 2.444 118.162 115.700 0.030 0.000 2.456 85 S HA 0.028 4.513 4.470 0.025 0.000 0.224 85 S C -0.414 174.199 174.600 0.021 0.000 1.035 85 S CA 1.778 59.991 58.200 0.023 0.000 0.940 85 S CB 1.135 64.344 63.200 0.015 0.000 0.799 85 S HN 0.717 9.043 8.310 0.025 0.000 0.508 86 S N -2.460 113.249 115.700 0.015 0.000 2.587 86 S HA 0.226 4.999 4.470 0.016 -0.293 0.269 86 S C -2.098 172.500 174.600 -0.004 0.000 1.154 86 S CA -0.324 57.881 58.200 0.008 0.000 0.824 86 S CB 2.455 65.653 63.200 -0.002 0.000 1.118 86 S HN -0.738 7.580 8.310 0.013 0.000 0.462 87 V N 0.296 120.204 119.914 -0.009 0.000 2.638 87 V HA 0.408 4.636 4.120 -0.035 -0.129 0.306 87 V C -0.809 175.266 176.094 -0.033 0.000 1.052 87 V CA -0.882 61.403 62.300 -0.025 0.000 0.885 87 V CB 2.629 34.442 31.823 -0.016 0.000 0.999 87 V HN 0.352 8.540 8.190 -0.003 0.000 0.424 88 R N 8.362 128.842 120.500 -0.033 0.000 2.483 88 R HA 0.395 4.702 4.340 -0.056 0.000 0.303 88 R C -1.844 174.488 176.300 0.054 0.000 0.987 88 R CA -1.198 54.880 56.100 -0.038 0.000 0.881 88 R CB 2.764 32.978 30.300 -0.143 0.000 1.177 88 R HN 0.471 8.727 8.270 -0.024 0.000 0.451 89 V N 3.134 123.033 119.914 -0.026 0.000 3.036 89 V HA 0.171 4.340 4.120 -0.095 -0.106 0.308 89 V C -0.634 175.292 176.094 -0.281 0.000 1.070 89 V CA -1.913 60.318 62.300 -0.115 0.000 1.056 89 V CB 1.262 32.985 31.823 -0.167 0.000 1.084 89 V HN 0.204 8.369 8.190 -0.042 0.000 0.471 90 H N 4.371 123.020 119.070 -0.702 0.000 3.001 90 H HA -0.027 3.238 4.556 -2.152 0.000 0.334 90 H C 0.609 175.680 175.328 -0.428 0.000 1.034 90 H CA 1.021 56.401 56.048 -1.113 0.000 1.420 90 H CB 1.077 30.354 29.762 -0.810 0.000 1.405 90 H HN -0.212 7.818 8.280 -0.417 0.000 0.593 91 P HA -0.007 4.366 4.420 -0.078 0.000 0.228 91 P C -0.507 176.832 177.300 0.066 0.000 1.151 91 P CA 1.498 64.530 63.100 -0.114 0.000 0.770 91 P CB 0.279 31.915 31.700 -0.106 0.000 0.786 92 S N -2.889 112.981 115.700 0.283 0.000 2.602 92 S HA 0.074 4.609 4.470 0.107 0.000 0.240 92 S C -0.821 173.860 174.600 0.135 0.000 0.992 92 S CA -0.480 57.837 58.200 0.194 0.000 0.971 92 S CB 0.676 63.981 63.200 0.174 0.000 0.855 92 S HN -0.565 8.065 8.310 0.622 0.054 0.481 93 Y N 4.546 124.847 120.300 0.002 0.000 2.717 93 Y HA -0.096 4.603 4.550 -0.099 -0.210 0.330 93 Y C -0.342 175.520 175.900 -0.063 0.000 1.217 93 Y CA 1.149 59.211 58.100 -0.064 0.000 1.506 93 Y CB 0.276 38.701 38.460 -0.059 0.000 1.268 93 Y HN -0.634 7.650 8.280 0.278 0.163 0.561 94 S N 7.504 122.946 115.700 -0.431 0.000 2.605 94 S HA 0.116 4.258 4.470 -0.546 0.000 0.279 94 S C -0.750 173.572 174.600 -0.463 0.000 1.166 94 S CA -0.029 57.898 58.200 -0.455 0.000 0.975 94 S CB 0.896 63.964 63.200 -0.221 0.000 1.111 94 S HN 0.122 8.244 8.310 -0.312 0.000 0.465 95 G N 7.405 115.901 108.800 -0.506 0.000 2.611 95 G HA2 -0.402 3.335 3.960 -0.372 0.000 0.301 95 G HA3 -0.402 3.351 3.960 -0.346 0.000 0.301 95 G C -0.833 173.829 174.900 -0.396 0.000 1.233 95 G CA 0.876 45.733 45.100 -0.405 0.000 0.993 95 G HN 0.128 8.104 8.290 -0.523 0.000 0.553 96 N N 3.517 121.978 118.700 -0.399 0.000 2.412 96 N HA -0.143 4.454 4.740 -0.238 0.000 0.184 96 N C -1.200 174.246 175.510 -0.107 0.000 1.101 96 N CA 0.275 53.103 53.050 -0.370 0.000 0.881 96 N CB 0.268 38.142 38.487 -1.021 0.000 0.969 96 N HN 0.093 8.206 8.380 -0.445 0.000 0.459 97 N N -0.196 118.435 118.700 -0.114 0.000 2.514 97 N HA -0.051 4.690 4.740 0.001 0.000 0.277 97 N C -0.911 174.626 175.510 0.046 0.000 1.126 97 N CA 0.615 53.646 53.050 -0.031 0.000 0.978 97 N CB 1.009 39.450 38.487 -0.075 0.000 1.106 97 N HN -0.546 7.654 8.380 -0.194 0.063 0.461 98 N N -0.518 118.174 118.700 -0.013 0.000 2.756 98 N HA -0.381 4.226 4.740 -0.222 0.000 0.248 98 N C -1.410 174.088 175.510 -0.020 0.000 1.062 98 N CA 1.384 54.339 53.050 -0.159 0.000 0.696 98 N CB -1.110 37.126 38.487 -0.419 0.000 0.946 98 N HN 0.809 9.182 8.380 -0.011 0.000 0.548 99 D N -0.227 120.206 120.400 0.054 0.000 2.845 99 D HA 0.056 4.635 4.640 -0.102 0.000 0.235 99 D C -1.802 174.456 176.300 -0.070 0.000 1.158 99 D CA -0.574 53.439 54.000 0.021 0.000 0.990 99 D CB -0.841 40.077 40.800 0.197 0.000 1.094 99 D HN 0.120 8.528 8.370 0.063 0.000 0.486 100 L N -0.117 121.029 121.223 -0.128 0.000 2.371 100 L HA 0.796 5.313 4.340 -0.007 -0.181 0.262 100 L C -2.416 174.441 176.870 -0.023 0.000 1.006 100 L CA -1.388 53.448 54.840 -0.006 0.000 0.818 100 L CB 4.925 47.092 42.059 0.180 0.000 1.354 100 L HN -0.457 7.591 8.230 -0.184 0.072 0.415 101 A N -0.371 122.498 122.820 0.081 0.000 2.515 101 A HA 0.828 5.424 4.320 0.238 -0.133 0.298 101 A C -2.255 175.422 177.584 0.155 0.000 1.059 101 A CA -1.548 50.565 52.037 0.126 0.000 0.698 101 A CB 4.163 23.133 19.000 -0.050 0.000 1.289 101 A HN 0.742 8.932 8.150 0.067 0.000 0.404 102 I N 1.259 121.915 120.570 0.144 0.000 2.336 102 I HA 0.529 4.840 4.170 -0.006 -0.145 0.292 102 I C -1.287 174.816 176.117 -0.024 0.000 0.991 102 I CA -2.069 59.229 61.300 -0.004 0.000 1.227 102 I CB 0.870 38.781 38.000 -0.148 0.000 1.366 102 I HN 0.265 8.617 8.210 0.237 0.000 0.466 103 L N 7.193 128.398 121.223 -0.030 0.000 2.317 103 L HA 0.566 5.044 4.340 -0.037 -0.160 0.281 103 L C -0.544 176.312 176.870 -0.023 0.000 1.024 103 L CA -1.593 53.227 54.840 -0.034 0.000 0.810 103 L CB 1.837 43.870 42.059 -0.044 0.000 1.240 103 L HN 0.822 9.038 8.230 -0.024 0.000 0.427 104 K N 2.069 122.459 120.400 -0.017 0.000 2.159 104 K HA 0.730 5.426 4.320 -0.015 -0.384 0.266 104 K C -0.554 176.048 176.600 0.003 0.000 0.975 104 K CA -2.563 53.718 56.287 -0.010 0.000 0.865 104 K CB 1.943 34.438 32.500 -0.008 0.000 1.087 104 K HN 0.123 8.363 8.250 -0.016 0.000 0.446 105 L N 2.973 124.200 121.223 0.007 0.000 2.312 105 L HA 0.269 4.754 4.340 0.024 -0.130 0.281 105 L C 0.283 177.164 176.870 0.018 0.000 1.070 105 L CA -0.595 54.256 54.840 0.019 0.000 0.805 105 L CB 0.531 42.605 42.059 0.025 0.000 1.174 105 L HN 0.388 8.520 8.230 0.000 0.098 0.434 106 S N 1.512 117.226 115.700 0.023 0.000 2.428 106 S HA 0.010 4.491 4.470 0.018 0.000 0.230 106 S C 0.377 174.989 174.600 0.020 0.000 1.014 106 S CA 2.345 60.557 58.200 0.020 0.000 0.957 106 S CB 1.050 64.263 63.200 0.022 0.000 0.784 106 S HN 0.191 8.517 8.310 0.028 0.000 0.499 107 T N 2.867 117.436 114.554 0.025 0.000 2.809 107 T HA 0.155 4.519 4.350 0.025 0.000 0.284 107 T C -1.536 173.185 174.700 0.035 0.000 0.992 107 T CA -0.417 61.700 62.100 0.028 0.000 0.957 107 T CB 1.657 70.542 68.868 0.028 0.000 0.942 107 T HN -0.445 7.784 8.240 0.028 0.027 0.439 108 S N 4.964 120.685 115.700 0.036 0.000 2.549 108 S HA -0.077 4.598 4.470 0.043 -0.179 0.279 108 S C -0.212 174.430 174.600 0.070 0.000 1.321 108 S CA 0.970 59.198 58.200 0.047 0.000 1.054 108 S CB 0.814 64.037 63.200 0.040 0.000 0.899 108 S HN 0.186 8.515 8.310 0.031 0.000 0.497 109 I N 4.643 125.277 120.570 0.107 0.000 2.382 109 I HA 0.513 4.743 4.170 0.101 0.000 0.286 109 I C -2.115 174.123 176.117 0.201 0.000 1.002 109 I CA -3.159 58.222 61.300 0.135 0.000 1.135 109 I CB 1.615 39.703 38.000 0.146 0.000 1.288 109 I HN 0.396 8.560 8.210 0.109 0.111 0.448 110 P HA 0.330 4.872 4.420 0.203 0.000 0.278 110 P C -1.070 176.243 177.300 0.022 0.000 1.238 110 P CA -1.075 62.102 63.100 0.127 0.000 0.794 110 P CB 0.576 32.317 31.700 0.068 0.000 0.955 111 S N 1.903 117.535 115.700 -0.114 0.000 2.592 111 S HA -0.228 4.119 4.470 -0.348 -0.086 0.271 111 S C 0.065 174.582 174.600 -0.139 0.000 1.326 111 S CA 0.478 58.480 58.200 -0.330 0.000 1.024 111 S CB 0.721 63.517 63.200 -0.674 0.000 0.921 111 S HN -0.176 8.125 8.310 -0.015 0.000 0.527 112 G N 3.226 111.951 108.800 -0.126 0.000 2.316 112 G HA2 -0.174 3.748 3.960 -0.064 0.000 0.468 112 G HA3 -0.174 3.758 3.960 -0.048 0.000 0.468 112 G C -1.301 173.570 174.900 -0.048 0.000 1.523 112 G CA -0.724 44.337 45.100 -0.066 0.000 0.972 112 G HN 0.356 8.551 8.290 -0.159 0.000 0.667 113 G N 1.845 110.624 108.800 -0.034 0.000 2.556 113 G HA2 -0.362 3.585 3.960 -0.021 0.000 0.283 113 G HA3 -0.362 3.587 3.960 -0.018 0.000 0.283 113 G C -0.794 174.089 174.900 -0.028 0.000 1.177 113 G CA 0.266 45.352 45.100 -0.024 0.000 0.978 113 G HN 0.186 8.457 8.290 -0.033 0.000 0.554 114 N N 2.884 121.573 118.700 -0.018 0.000 2.383 114 N HA 0.080 4.804 4.740 -0.025 0.000 0.192 114 N C -1.014 174.488 175.510 -0.014 0.000 1.141 114 N CA 0.232 53.272 53.050 -0.016 0.000 0.851 114 N CB 0.162 38.647 38.487 -0.004 0.000 0.976 114 N HN 0.173 8.546 8.380 -0.011 0.000 0.465 115 I N -0.599 119.955 120.570 -0.026 0.000 2.359 115 I HA 0.300 4.662 4.170 0.000 -0.192 0.294 115 I C -1.065 174.987 176.117 -0.108 0.000 0.987 115 I CA -0.806 60.474 61.300 -0.033 0.000 1.225 115 I CB 1.862 39.849 38.000 -0.022 0.000 1.366 115 I HN -0.610 7.512 8.210 -0.032 0.068 0.466 116 G N 4.419 113.164 108.800 -0.092 0.000 2.682 116 G HA2 0.393 4.080 3.960 -0.456 0.000 0.290 116 G HA3 0.393 4.300 3.960 -0.089 0.000 0.290 116 G C -2.647 172.235 174.900 -0.029 0.000 1.425 116 G CA -0.655 44.323 45.100 -0.204 0.000 0.807 116 G HN -0.304 7.879 8.290 0.000 0.108 0.482 117 Y N -1.710 118.686 120.300 0.161 0.000 2.387 117 Y HA 0.483 5.292 4.550 0.180 -0.151 0.330 117 Y C 0.123 176.081 175.900 0.097 0.000 1.133 117 Y CA -2.550 55.634 58.100 0.139 0.000 1.152 117 Y CB 1.484 39.983 38.460 0.065 0.000 1.215 117 Y HN 0.101 8.302 8.280 -0.132 0.000 0.466 118 A N 2.440 125.322 122.820 0.103 0.000 2.407 118 A HA 0.003 4.014 4.320 -0.515 0.000 0.248 118 A C -0.448 177.041 177.584 -0.160 0.000 1.082 118 A CA 0.082 51.899 52.037 -0.367 0.000 0.785 118 A CB 0.778 19.319 19.000 -0.765 0.000 1.020 118 A HN 0.266 8.512 8.150 0.160 0.000 0.489 119 R N 0.839 121.240 120.500 -0.165 0.000 2.474 119 R HA 0.312 4.614 4.340 -0.064 0.000 0.295 119 R C -1.146 175.082 176.300 -0.121 0.000 0.980 119 R CA -1.861 54.187 56.100 -0.088 0.000 0.934 119 R CB 2.004 32.287 30.300 -0.029 0.000 1.101 119 R HN 0.362 8.518 8.270 -0.192 0.000 0.469 120 L N 0.824 122.000 121.223 -0.077 0.000 2.331 120 L HA 0.407 4.697 4.340 -0.083 0.000 0.275 120 L C 0.241 177.088 176.870 -0.038 0.000 1.022 120 L CA -1.429 53.373 54.840 -0.063 0.000 0.812 120 L CB 2.224 44.256 42.059 -0.044 0.000 1.257 120 L HN 0.125 8.321 8.230 -0.057 0.000 0.435 121 A N 0.260 123.062 122.820 -0.030 0.000 2.531 121 A HA -0.049 4.251 4.320 -0.034 0.000 0.236 121 A C -0.605 176.969 177.584 -0.016 0.000 1.062 121 A CA 0.184 52.204 52.037 -0.028 0.000 0.760 121 A CB 0.823 19.803 19.000 -0.034 0.000 0.995 121 A HN 0.076 8.209 8.150 -0.029 0.000 0.501 122 A N 1.811 124.620 122.820 -0.019 0.000 2.483 122 A HA -0.184 4.130 4.320 -0.009 0.000 0.238 122 A C -0.020 177.564 177.584 -0.000 0.000 1.070 122 A CA -0.131 51.900 52.037 -0.010 0.000 0.770 122 A CB 0.694 19.686 19.000 -0.013 0.000 1.008 122 A HN 0.220 8.355 8.150 -0.026 0.000 0.497 123 S N 1.569 117.274 115.700 0.007 0.000 2.546 123 S HA -0.449 4.178 4.470 0.029 -0.139 0.290 123 S C 1.750 176.360 174.600 0.016 0.000 1.290 123 S CA 1.580 59.792 58.200 0.019 0.000 1.069 123 S CB -0.079 63.133 63.200 0.020 0.000 0.846 123 S HN -0.028 8.285 8.310 0.004 0.000 0.495 124 G N 7.444 116.259 108.800 0.024 0.000 2.179 124 G HA2 -0.403 3.574 3.960 0.028 0.000 0.260 124 G HA3 -0.403 3.567 3.960 0.017 0.000 0.260 124 G C -0.403 174.501 174.900 0.007 0.000 0.977 124 G CA -0.090 45.023 45.100 0.020 0.000 0.641 124 G HN 0.283 8.594 8.290 0.034 0.000 0.533 125 S N 0.874 116.571 115.700 -0.004 0.000 2.593 125 S HA 0.004 4.459 4.470 -0.025 0.000 0.269 125 S C -1.221 173.356 174.600 -0.037 0.000 1.334 125 S CA 0.362 58.546 58.200 -0.026 0.000 1.015 125 S CB 1.615 64.791 63.200 -0.041 0.000 0.912 125 S HN -0.424 7.812 8.310 -0.001 0.074 0.541 126 D N 0.364 120.725 120.400 -0.064 0.000 2.890 126 D HA 0.306 4.890 4.640 -0.094 0.000 0.233 126 D C -2.039 174.170 176.300 -0.152 0.000 1.306 126 D CA -2.638 51.311 54.000 -0.084 0.000 0.929 126 D CB 2.099 42.884 40.800 -0.024 0.000 1.512 126 D HN 0.047 8.378 8.370 -0.065 0.000 0.568 127 P HA 0.016 4.280 4.420 -0.260 0.000 0.265 127 P C -0.881 176.322 177.300 -0.162 0.000 1.193 127 P CA -0.267 62.642 63.100 -0.317 0.000 0.765 127 P CB 0.654 31.959 31.700 -0.659 0.000 0.823 128 V N 3.159 123.007 119.914 -0.110 0.000 2.498 128 V HA -0.017 4.077 4.120 -0.044 0.000 0.279 128 V C 0.088 176.159 176.094 -0.038 0.000 1.048 128 V CA -0.711 61.555 62.300 -0.056 0.000 0.967 128 V CB 1.152 32.948 31.823 -0.044 0.000 0.988 128 V HN 0.178 8.297 8.190 -0.118 0.000 0.473 129 A N 6.736 129.549 122.820 -0.012 0.000 2.567 129 A HA -0.356 4.101 4.320 0.014 -0.128 0.240 129 A C 0.869 178.452 177.584 -0.003 0.000 1.053 129 A CA 1.479 53.519 52.037 0.004 0.000 0.755 129 A CB -0.353 18.655 19.000 0.014 0.000 0.978 129 A HN 0.324 8.470 8.150 -0.008 0.000 0.507 130 G N 2.985 111.786 108.800 0.002 0.000 2.241 130 G HA2 -0.352 3.609 3.960 0.003 0.000 0.244 130 G HA3 -0.352 3.606 3.960 -0.003 0.000 0.244 130 G C 0.087 174.982 174.900 -0.008 0.000 0.998 130 G CA -0.202 44.898 45.100 -0.001 0.000 0.621 130 G HN 0.339 8.528 8.290 0.010 0.108 0.519 131 S N 1.694 117.383 115.700 -0.018 0.000 2.593 131 S HA 0.039 4.496 4.470 -0.021 0.000 0.269 131 S C -0.467 174.120 174.600 -0.021 0.000 1.334 131 S CA 0.646 58.830 58.200 -0.027 0.000 1.015 131 S CB 1.561 64.734 63.200 -0.046 0.000 0.912 131 S HN -0.376 7.835 8.310 -0.022 0.085 0.541 132 S N 2.183 117.872 115.700 -0.018 0.000 2.438 132 S HA 0.089 4.556 4.470 -0.005 0.000 0.293 132 S C -1.275 173.319 174.600 -0.011 0.000 1.141 132 S CA 0.124 58.318 58.200 -0.009 0.000 1.080 132 S CB 0.630 63.828 63.200 -0.003 0.000 0.978 132 S HN 0.137 8.435 8.310 -0.020 0.000 0.479 133 A N 5.210 128.025 122.820 -0.010 0.000 2.337 133 A HA 0.683 5.136 4.320 -0.007 -0.137 0.331 133 A C -1.814 175.773 177.584 0.006 0.000 1.137 133 A CA -1.731 50.298 52.037 -0.013 0.000 0.807 133 A CB 3.721 22.698 19.000 -0.039 0.000 1.250 133 A HN 0.573 8.719 8.150 -0.006 0.000 0.468 134 T N 1.993 116.568 114.554 0.034 0.000 2.848 134 T HA 0.748 5.311 4.350 0.042 -0.188 0.285 134 T C -1.669 173.045 174.700 0.024 0.000 0.995 134 T CA -0.517 61.623 62.100 0.066 0.000 0.970 134 T CB 2.746 71.710 68.868 0.161 0.000 0.976 134 T HN 0.273 8.539 8.240 0.043 0.000 0.441 135 V N 6.540 126.436 119.914 -0.030 0.000 2.769 135 V HA 0.926 5.155 4.120 -0.122 -0.183 0.312 135 V C -3.042 172.948 176.094 -0.174 0.000 1.061 135 V CA -3.656 58.589 62.300 -0.092 0.000 0.931 135 V CB 3.763 35.577 31.823 -0.015 0.000 1.010 135 V HN 0.518 8.703 8.190 -0.008 0.000 0.433 136 A N 4.876 127.506 122.820 -0.316 0.000 2.515 136 A HA 1.003 5.284 4.320 -0.319 -0.152 0.298 136 A C -2.274 175.094 177.584 -0.361 0.000 1.059 136 A CA -1.661 50.113 52.037 -0.438 0.000 0.698 136 A CB 3.536 21.993 19.000 -0.905 0.000 1.289 136 A HN -0.159 7.821 8.150 -0.284 0.000 0.404 137 G N -1.026 107.534 108.800 -0.401 0.000 2.342 137 G HA2 0.244 3.949 3.960 -0.426 0.000 0.297 137 G HA3 0.244 4.275 3.960 -0.125 -0.146 0.297 137 G C -1.821 172.861 174.900 -0.363 0.000 1.313 137 G CA 0.534 45.435 45.100 -0.332 0.000 0.830 137 G HN 0.009 8.052 8.290 -0.412 0.000 0.506 138 W N -0.020 121.272 121.300 -0.014 0.000 3.123 138 W HA 0.294 4.958 4.660 0.005 0.000 0.383 138 W C -0.092 176.429 176.519 0.004 0.000 1.102 138 W CA -0.760 56.587 57.345 0.003 0.000 1.865 138 W CB 0.752 30.222 29.460 0.016 0.000 1.111 138 W HN 0.537 8.922 8.180 0.341 0.000 0.621 139 G N -0.573 108.314 108.800 0.145 0.000 2.588 139 G HA2 0.136 4.176 3.960 0.102 0.000 0.278 139 G HA3 0.136 4.254 3.960 0.058 -0.123 0.278 139 G C -1.240 173.697 174.900 0.063 0.000 1.307 139 G CA -0.702 44.452 45.100 0.089 0.000 1.016 139 G HN -0.458 8.128 8.290 0.100 -0.236 0.503 140 A N -1.127 121.719 122.820 0.044 0.000 2.466 140 A HA -0.006 4.340 4.320 0.043 0.000 0.238 140 A C 0.770 178.368 177.584 0.024 0.000 1.074 140 A CA 0.196 52.255 52.037 0.035 0.000 0.774 140 A CB 1.046 20.062 19.000 0.027 0.000 1.015 140 A HN -0.071 8.101 8.150 0.037 0.000 0.498 141 T N -5.440 109.128 114.554 0.023 0.000 3.069 141 T HA 0.159 4.747 4.350 0.013 -0.230 0.252 141 T C 0.125 174.834 174.700 0.015 0.000 1.053 141 T CA -0.082 62.028 62.100 0.016 0.000 0.964 141 T CB 0.768 69.647 68.868 0.017 0.000 1.005 141 T HN 0.594 8.850 8.240 0.027 0.000 0.532 142 S N -0.173 115.536 115.700 0.015 0.000 2.579 142 S HA 0.086 4.564 4.470 0.013 0.000 0.272 142 S C -1.686 172.921 174.600 0.012 0.000 1.141 142 S CA -1.241 56.967 58.200 0.013 0.000 0.843 142 S CB 1.643 64.851 63.200 0.013 0.000 1.122 142 S HN -0.711 7.554 8.310 0.017 0.055 0.468 143 E N 6.025 126.230 120.200 0.009 0.000 2.480 143 E HA -0.241 4.111 4.350 0.004 0.000 0.258 143 E C 0.877 177.481 176.600 0.007 0.000 0.984 143 E CA 1.335 57.738 56.400 0.005 0.000 0.930 143 E CB 0.218 29.919 29.700 0.001 0.000 0.936 143 E HN 0.531 8.896 8.360 0.009 0.000 0.466 144 G N 5.595 114.400 108.800 0.007 0.000 2.168 144 G HA2 -0.374 3.593 3.960 0.011 0.000 0.263 144 G HA3 -0.374 3.591 3.960 0.009 0.000 0.263 144 G C 0.237 175.146 174.900 0.016 0.000 0.977 144 G CA -0.067 45.039 45.100 0.011 0.000 0.659 144 G HN 0.547 8.840 8.290 0.006 0.000 0.533 145 G N -1.060 107.750 108.800 0.017 0.000 2.491 145 G HA2 -0.006 3.966 3.960 0.020 0.000 0.238 145 G HA3 -0.006 3.967 3.960 0.022 0.000 0.238 145 G C -0.622 174.294 174.900 0.027 0.000 1.277 145 G CA -0.389 44.723 45.100 0.021 0.000 0.851 145 G HN -0.516 7.727 8.290 0.016 0.057 0.573 146 S N 1.687 117.404 115.700 0.028 0.000 2.441 146 S HA 0.055 4.546 4.470 0.035 0.000 0.224 146 S C 0.050 174.673 174.600 0.038 0.000 1.043 146 S CA 0.938 59.158 58.200 0.032 0.000 0.948 146 S CB 0.577 63.794 63.200 0.028 0.000 0.810 146 S HN 0.242 8.567 8.310 0.025 0.000 0.504 147 S N 1.535 117.256 115.700 0.036 0.000 2.610 147 S HA 0.182 4.677 4.470 0.042 0.000 0.273 147 S C -1.239 173.391 174.600 0.050 0.000 1.274 147 S CA 0.319 58.544 58.200 0.041 0.000 1.023 147 S CB 0.962 64.183 63.200 0.035 0.000 0.962 147 S HN -0.313 8.016 8.310 0.032 0.000 0.523 148 T N -0.197 114.395 114.554 0.063 0.000 2.896 148 T HA 0.340 4.734 4.350 0.073 0.000 0.297 148 T C -2.521 172.237 174.700 0.098 0.000 1.108 148 T CA -3.170 58.980 62.100 0.083 0.000 1.004 148 T CB 1.457 70.387 68.868 0.103 0.000 1.159 148 T HN -0.053 8.224 8.240 0.062 0.000 0.499 149 P HA 0.228 4.701 4.420 0.088 0.000 0.277 149 P C -0.381 177.031 177.300 0.186 0.000 1.240 149 P CA -0.657 62.511 63.100 0.114 0.000 0.798 149 P CB 0.807 32.554 31.700 0.077 0.000 0.979 150 V N -0.392 119.613 119.914 0.150 0.000 2.323 150 V HA -0.257 3.969 4.120 0.176 0.000 0.244 150 V C -0.502 175.766 176.094 0.290 0.000 1.041 150 V CA 1.705 64.112 62.300 0.178 0.000 1.025 150 V CB 0.648 32.537 31.823 0.109 0.000 0.656 150 V HN 0.368 8.625 8.190 0.112 0.000 0.451 151 N N -4.509 114.316 118.700 0.208 0.000 2.466 151 N HA 0.319 5.480 4.740 0.342 -0.215 0.294 151 N C -0.214 175.299 175.510 0.005 0.000 1.129 151 N CA -0.920 52.247 53.050 0.195 0.000 0.931 151 N CB 1.467 40.018 38.487 0.108 0.000 1.193 151 N HN -0.641 7.826 8.380 0.145 0.000 0.500 152 L N 2.231 123.338 121.223 -0.193 0.000 2.540 152 L HA -0.193 3.404 4.340 -1.239 0.000 0.276 152 L C -1.143 175.522 176.870 -0.341 0.000 1.212 152 L CA 1.064 55.489 54.840 -0.692 0.000 0.893 152 L CB 0.404 42.052 42.059 -0.685 0.000 1.138 152 L HN -0.068 8.165 8.230 0.004 0.000 0.491 153 L N 5.400 126.414 121.223 -0.348 0.000 2.334 153 L HA 0.727 5.151 4.340 -0.120 -0.157 0.270 153 L C -1.283 175.484 176.870 -0.171 0.000 1.018 153 L CA -1.440 53.294 54.840 -0.177 0.000 0.811 153 L CB 2.628 44.618 42.059 -0.115 0.000 1.271 153 L HN -0.014 7.937 8.230 -0.466 0.000 0.443 154 K N -2.101 118.257 120.400 -0.069 0.000 2.512 154 K HA 1.021 5.473 4.320 -0.086 -0.184 0.263 154 K C -2.285 174.315 176.600 -0.000 0.000 0.966 154 K CA -1.695 54.576 56.287 -0.026 0.000 0.851 154 K CB 4.468 37.041 32.500 0.121 0.000 1.395 154 K HN 0.658 8.881 8.250 -0.045 0.000 0.440 155 V N 0.130 120.049 119.914 0.008 0.000 3.012 155 V HA 0.319 4.450 4.120 0.019 0.000 0.307 155 V C -2.670 173.440 176.094 0.027 0.000 1.166 155 V CA -2.039 60.271 62.300 0.017 0.000 0.974 155 V CB 4.264 36.094 31.823 0.012 0.000 1.040 155 V HN 0.488 8.678 8.190 0.001 0.000 0.428 156 T N 8.563 123.133 114.554 0.027 0.000 2.794 156 T HA 0.826 5.390 4.350 0.026 -0.198 0.280 156 T C -0.906 173.806 174.700 0.020 0.000 0.987 156 T CA -0.256 61.859 62.100 0.025 0.000 0.993 156 T CB 0.943 69.826 68.868 0.024 0.000 0.939 156 T HN 0.275 8.529 8.240 0.024 0.000 0.449 157 V N 0.886 120.811 119.914 0.018 0.000 3.007 157 V HA 0.722 4.856 4.120 0.024 0.000 0.311 157 V C -2.746 173.360 176.094 0.020 0.000 1.120 157 V CA -4.315 57.999 62.300 0.024 0.000 0.980 157 V CB 2.016 33.863 31.823 0.040 0.000 1.033 157 V HN 0.638 8.835 8.190 0.012 0.000 0.429 158 P HA 0.452 5.070 4.420 0.012 -0.191 0.277 158 P C -0.346 176.979 177.300 0.041 0.000 1.240 158 P CA -1.613 61.500 63.100 0.021 0.000 0.798 158 P CB 0.816 32.526 31.700 0.017 0.000 0.979 159 I N 1.318 121.910 120.570 0.036 0.000 2.710 159 I HA -0.087 4.300 4.170 0.127 -0.141 0.286 159 I C 0.315 176.474 176.117 0.069 0.000 1.181 159 I CA -0.331 61.013 61.300 0.073 0.000 1.430 159 I CB -0.955 37.059 38.000 0.022 0.000 1.367 159 I HN 0.137 8.356 8.210 0.014 0.000 0.577 160 V N 8.124 128.098 119.914 0.101 0.000 2.435 160 V HA 0.269 4.420 4.120 0.053 0.000 0.290 160 V C -0.781 175.363 176.094 0.084 0.000 1.030 160 V CA -1.691 60.655 62.300 0.076 0.000 0.881 160 V CB 1.432 33.298 31.823 0.073 0.000 0.983 160 V HN 0.032 8.196 8.190 0.143 0.111 0.445 161 S N 5.519 121.253 115.700 0.057 0.000 2.563 161 S HA -0.125 4.381 4.470 0.059 0.000 0.284 161 S C 1.073 175.716 174.600 0.072 0.000 1.331 161 S CA -0.013 58.221 58.200 0.056 0.000 1.047 161 S CB 1.167 64.389 63.200 0.036 0.000 0.859 161 S HN 0.272 8.607 8.310 0.043 0.000 0.514 162 R N 4.316 124.864 120.500 0.079 0.000 2.105 162 R HA -0.427 3.972 4.340 0.098 0.000 0.239 162 R C 1.495 177.837 176.300 0.071 0.000 1.135 162 R CA 4.226 60.378 56.100 0.086 0.000 0.967 162 R CB -0.230 30.123 30.300 0.088 0.000 0.861 162 R HN 0.689 9.004 8.270 0.075 0.000 0.442 163 A N -2.493 120.359 122.820 0.054 0.000 1.877 163 A HA -0.174 4.174 4.320 0.046 0.000 0.216 163 A C 2.376 179.983 177.584 0.039 0.000 1.186 163 A CA 3.105 55.167 52.037 0.043 0.000 0.620 163 A CB -0.956 18.062 19.000 0.030 0.000 0.822 163 A HN 0.215 8.383 8.150 0.050 0.012 0.443 164 T N 0.709 115.282 114.554 0.032 0.000 2.746 164 T HA -0.357 3.994 4.350 0.001 0.000 0.267 164 T C 1.653 176.369 174.700 0.028 0.000 1.039 164 T CA 4.776 66.885 62.100 0.014 0.000 1.142 164 T CB -0.269 68.602 68.868 0.005 0.000 0.866 164 T HN -0.504 7.757 8.240 0.033 0.000 0.444 165 c N 2.140 120.782 118.600 0.070 0.000 2.425 165 c HA -0.288 4.367 4.570 0.142 0.000 0.277 165 c C 2.163 176.365 174.090 0.186 0.000 1.280 165 c CA 2.525 58.936 56.329 0.137 0.000 1.744 165 c CB -1.803 40.783 42.510 0.126 0.000 1.989 165 c HN 0.018 8.289 8.230 0.069 0.000 0.491 166 R N -0.942 119.636 120.500 0.130 0.000 2.115 166 R HA -0.235 4.354 4.340 0.182 -0.140 0.230 166 R C 2.558 178.911 176.300 0.090 0.000 1.111 166 R CA 3.000 59.178 56.100 0.131 0.000 0.976 166 R CB -0.244 30.113 30.300 0.095 0.000 0.870 166 R HN 0.033 8.366 8.270 0.104 0.000 0.445 167 A N -1.137 121.707 122.820 0.040 0.000 1.933 167 A HA -0.234 4.089 4.320 0.005 0.000 0.218 167 A C 1.525 179.076 177.584 -0.056 0.000 1.175 167 A CA 2.503 54.536 52.037 -0.007 0.000 0.628 167 A CB -0.585 18.396 19.000 -0.032 0.000 0.814 167 A HN -0.459 7.627 8.150 0.039 0.087 0.444 168 Q N -3.083 116.654 119.800 -0.104 0.000 2.083 168 Q HA -0.262 3.836 4.340 -0.402 0.000 0.198 168 Q C 1.523 177.365 176.000 -0.262 0.000 0.969 168 Q CA 2.803 58.406 55.803 -0.334 0.000 0.838 168 Q CB 0.772 29.197 28.738 -0.522 0.000 0.900 168 Q HN -0.604 7.546 8.270 -0.051 0.090 0.436 169 Y N -5.661 114.697 120.300 0.098 0.000 2.430 169 Y HA -0.067 4.630 4.550 0.245 0.000 0.248 169 Y C -0.036 175.956 175.900 0.153 0.000 1.108 169 Y CA 0.400 58.613 58.100 0.189 0.000 1.264 169 Y CB 2.057 40.661 38.460 0.240 0.000 1.172 169 Y HN -0.614 7.782 8.280 0.194 0.000 0.520 170 G N -0.840 108.096 108.800 0.227 0.000 2.617 170 G HA2 -0.248 3.780 3.960 0.112 0.000 0.686 170 G HA3 -0.248 3.805 3.960 0.155 0.000 0.686 170 G C -0.520 174.467 174.900 0.145 0.000 1.214 170 G CA -0.782 44.412 45.100 0.156 0.000 0.796 170 G HN -0.595 7.808 8.290 0.188 0.000 0.654 171 T N 1.007 115.618 114.554 0.096 0.000 2.674 171 T HA -0.260 4.141 4.350 0.086 0.000 0.265 171 T C 1.870 176.618 174.700 0.080 0.000 1.039 171 T CA 3.783 65.931 62.100 0.080 0.000 1.150 171 T CB -0.091 68.810 68.868 0.055 0.000 0.864 171 T HN 0.207 8.495 8.240 0.081 0.000 0.427 172 S N 1.094 116.833 115.700 0.065 0.000 2.399 172 S HA -0.187 4.307 4.470 0.040 0.000 0.231 172 S C 1.283 175.918 174.600 0.057 0.000 1.022 172 S CA 2.793 61.021 58.200 0.047 0.000 0.983 172 S CB -0.401 62.813 63.200 0.023 0.000 0.803 172 S HN 0.144 8.491 8.310 0.062 0.000 0.480 173 A N -1.267 121.612 122.820 0.099 0.000 2.015 173 A HA -0.058 4.284 4.320 0.037 0.000 0.219 173 A C -0.329 177.378 177.584 0.205 0.000 1.163 173 A CA 1.076 53.190 52.037 0.128 0.000 0.646 173 A CB 0.123 19.268 19.000 0.242 0.000 0.806 173 A HN 0.153 8.334 8.150 0.116 0.038 0.448 174 I N -1.570 119.111 120.570 0.185 0.000 2.354 174 I HA 0.319 4.611 4.170 0.204 0.000 0.286 174 I C -0.609 175.575 176.117 0.113 0.000 1.007 174 I CA -3.052 58.346 61.300 0.164 0.000 1.167 174 I CB -0.765 37.316 38.000 0.135 0.000 1.320 174 I HN -0.795 7.484 8.210 0.163 0.030 0.458 175 T N 5.487 120.102 114.554 0.102 0.000 2.910 175 T HA 0.335 4.723 4.350 0.064 0.000 0.279 175 T C 0.990 175.736 174.700 0.077 0.000 0.989 175 T CA -2.380 59.763 62.100 0.072 0.000 0.968 175 T CB 2.074 70.970 68.868 0.047 0.000 1.135 175 T HN -0.355 7.957 8.240 0.120 0.000 0.562 176 N N -1.819 116.919 118.700 0.062 0.000 2.573 176 N HA -0.196 4.591 4.740 0.078 0.000 0.187 176 N C -0.026 175.532 175.510 0.079 0.000 1.107 176 N CA 1.874 54.965 53.050 0.068 0.000 0.918 176 N CB -0.678 37.842 38.487 0.053 0.000 0.966 176 N HN 0.436 8.846 8.380 0.051 0.000 0.448 177 Q N -3.735 116.106 119.800 0.068 0.000 2.220 177 Q HA 0.186 4.577 4.340 0.085 0.000 0.205 177 Q C -1.190 174.871 176.000 0.102 0.000 0.865 177 Q CA -0.539 55.305 55.803 0.069 0.000 0.960 177 Q CB 0.093 28.831 28.738 -0.001 0.000 1.097 177 Q HN -0.714 7.527 8.270 0.057 0.063 0.493 178 M N -0.939 118.733 119.600 0.121 0.000 2.591 178 M HA 0.879 5.606 4.480 0.068 -0.207 0.306 178 M C -1.685 174.720 176.300 0.175 0.000 1.190 178 M CA -0.841 54.518 55.300 0.098 0.000 0.889 178 M CB 4.872 37.519 32.600 0.079 0.000 1.728 178 M HN -0.583 7.701 8.290 0.117 0.077 0.458 179 F N -2.331 117.666 119.950 0.079 0.000 2.650 179 F HA 0.604 5.161 4.527 0.051 0.000 0.320 179 F C -3.057 172.806 175.800 0.106 0.000 1.091 179 F CA -1.824 56.218 58.000 0.071 0.000 0.962 179 F CB 2.543 41.576 39.000 0.055 0.000 1.363 179 F HN 0.282 8.458 8.300 -0.208 0.000 0.482 180 c N -1.728 117.012 118.600 0.233 0.000 2.667 180 c HA 1.049 5.819 4.570 0.035 -0.179 0.323 180 c C -1.183 173.064 174.090 0.262 0.000 1.214 180 c CA -1.697 54.711 56.329 0.132 0.000 1.721 180 c CB 3.693 46.247 42.510 0.073 0.000 2.275 180 c HN 0.521 8.983 8.230 0.386 0.000 0.491 181 A N 0.243 123.203 122.820 0.234 0.000 2.589 181 A HA 0.886 5.426 4.320 0.151 -0.129 0.296 181 A C -2.264 175.412 177.584 0.154 0.000 1.062 181 A CA -1.007 51.140 52.037 0.184 0.000 0.686 181 A CB 3.260 22.332 19.000 0.120 0.000 1.282 181 A HN 0.532 8.821 8.150 0.233 0.000 0.404 182 G N -0.719 108.139 108.800 0.097 0.000 2.341 182 G HA2 0.096 4.102 3.960 0.076 0.000 0.293 182 G HA3 0.096 4.103 3.960 0.078 0.000 0.293 182 G C -2.893 172.035 174.900 0.047 0.000 1.298 182 G CA 0.696 45.841 45.100 0.075 0.000 0.868 182 G HN 0.032 8.372 8.290 0.083 0.000 0.540 183 V N -4.726 115.209 119.914 0.035 0.000 2.864 183 V HA 0.513 4.643 4.120 0.017 0.000 0.314 183 V C 0.789 176.888 176.094 0.008 0.000 1.073 183 V CA -3.414 58.898 62.300 0.019 0.000 0.956 183 V CB 2.799 34.633 31.823 0.017 0.000 1.023 183 V HN 0.158 8.371 8.190 0.039 0.000 0.435 184 S N 3.144 118.841 115.700 -0.005 0.000 2.370 184 S HA -0.210 4.240 4.470 -0.034 0.000 0.226 184 S C 1.130 175.722 174.600 -0.013 0.000 1.033 184 S CA 3.063 61.251 58.200 -0.021 0.000 1.011 184 S CB -0.044 63.140 63.200 -0.027 0.000 0.852 184 S HN 0.457 8.765 8.310 -0.003 0.000 0.457 185 S N -2.219 113.480 115.700 -0.002 0.000 2.555 185 S HA -0.067 4.404 4.470 0.001 0.000 0.230 185 S C 0.793 175.402 174.600 0.014 0.000 0.978 185 S CA 0.401 58.603 58.200 0.004 0.000 0.934 185 S CB -0.142 63.062 63.200 0.005 0.000 0.766 185 S HN -0.333 7.961 8.310 -0.000 0.016 0.533 186 G N 1.190 110.002 108.800 0.020 0.000 2.750 186 G HA2 -0.271 3.711 3.960 0.038 0.000 0.228 186 G HA3 -0.271 3.813 3.960 0.036 -0.102 0.228 186 G C 0.179 175.095 174.900 0.026 0.000 1.367 186 G CA 0.120 45.239 45.100 0.031 0.000 0.871 186 G HN -0.558 7.552 8.290 0.016 0.189 0.560 187 G N -1.531 107.286 108.800 0.028 0.000 2.175 187 G HA2 -0.331 3.642 3.960 0.022 0.000 0.244 187 G HA3 -0.331 3.640 3.960 0.019 0.000 0.244 187 G C -1.832 173.082 174.900 0.023 0.000 0.982 187 G CA 0.307 45.420 45.100 0.023 0.000 0.641 187 G HN 0.088 8.284 8.290 0.032 0.113 0.527 188 K N -0.775 119.642 120.400 0.028 0.000 2.578 188 K HA 0.690 5.252 4.320 0.025 -0.228 0.250 188 K C -1.926 174.700 176.600 0.042 0.000 0.955 188 K CA -1.103 55.202 56.287 0.030 0.000 0.825 188 K CB 3.283 35.800 32.500 0.028 0.000 1.151 188 K HN -0.475 7.730 8.250 0.032 0.065 0.432 189 D N 3.424 123.850 120.400 0.042 0.000 2.755 189 D HA 0.259 4.950 4.640 0.085 0.000 0.277 189 D C -1.947 174.382 176.300 0.049 0.000 1.261 189 D CA -0.427 53.608 54.000 0.058 0.000 0.759 189 D CB 4.216 45.042 40.800 0.044 0.000 1.279 189 D HN 0.090 8.480 8.370 0.033 0.000 0.420 190 S N -0.724 115.014 115.700 0.063 0.000 2.617 190 S HA 0.248 4.831 4.470 0.025 -0.098 0.269 190 S C -1.194 173.402 174.600 -0.006 0.000 1.292 190 S CA -0.472 57.746 58.200 0.031 0.000 1.010 190 S CB 0.892 64.128 63.200 0.060 0.000 0.944 190 S HN 0.260 8.627 8.310 0.095 0.000 0.536 191 C N 0.468 119.764 119.300 -0.007 0.000 3.171 191 C HA 0.422 4.875 4.460 -0.012 0.000 0.308 191 C C -1.127 173.857 174.990 -0.010 0.000 1.334 191 C CA -0.775 58.239 59.018 -0.007 0.000 1.473 191 C CB 3.348 31.090 27.740 0.004 0.000 1.866 191 C HN 0.215 8.726 8.230 -0.003 -0.282 0.465 192 Q N 3.029 122.821 119.800 -0.015 0.000 2.398 192 Q HA -0.214 4.100 4.340 -0.043 0.000 0.329 192 Q C 1.297 177.282 176.000 -0.025 0.000 1.079 192 Q CA 2.485 58.270 55.803 -0.030 0.000 1.041 192 Q CB 0.009 28.731 28.738 -0.027 0.000 1.084 192 Q HN 0.814 9.078 8.270 -0.010 0.000 0.386 193 G N 4.593 113.354 108.800 -0.066 0.000 2.234 193 G HA2 -0.407 3.685 3.960 -0.103 0.000 0.235 193 G HA3 -0.407 3.563 3.960 0.015 0.000 0.235 193 G C 0.612 175.521 174.900 0.014 0.000 0.997 193 G CA 0.875 45.952 45.100 -0.038 0.000 0.623 193 G HN 0.510 8.735 8.290 -0.108 0.000 0.514 194 D N 1.319 121.724 120.400 0.010 0.000 2.348 194 D HA 0.022 4.700 4.640 0.063 0.000 0.211 194 D C 0.282 176.590 176.300 0.013 0.000 0.998 194 D CA 1.237 55.254 54.000 0.028 0.000 0.873 194 D CB 0.311 41.119 40.800 0.013 0.000 0.925 194 D HN 0.242 8.530 8.370 -0.005 0.079 0.524 195 S N -0.900 114.786 115.700 -0.022 0.000 2.558 195 S HA -0.510 4.080 4.470 0.011 -0.114 0.291 195 S C 0.956 175.514 174.600 -0.070 0.000 1.306 195 S CA 2.568 60.749 58.200 -0.031 0.000 1.056 195 S CB 0.257 63.446 63.200 -0.017 0.000 0.836 195 S HN -0.376 7.862 8.310 -0.039 0.050 0.504 196 G N 4.225 112.995 108.800 -0.050 0.000 2.284 196 G HA2 -0.458 3.549 3.960 -0.034 0.000 0.247 196 G HA3 -0.458 3.570 3.960 -0.060 -0.104 0.247 196 G C -0.150 174.779 174.900 0.049 0.000 1.012 196 G CA 0.283 45.365 45.100 -0.029 0.000 0.618 196 G HN 0.682 8.849 8.290 -0.024 0.108 0.521 197 G N 0.995 109.835 108.800 0.066 0.000 2.616 197 G HA2 0.317 4.414 3.960 0.113 0.000 0.268 197 G HA3 0.317 4.317 3.960 0.067 0.000 0.268 197 G C -2.645 172.307 174.900 0.086 0.000 1.213 197 G CA -1.932 43.218 45.100 0.085 0.000 0.926 197 G HN -0.502 7.721 8.290 0.051 0.098 0.523 198 P HA 0.269 4.924 4.420 0.152 -0.144 0.284 198 P C -1.938 175.377 177.300 0.024 0.000 1.253 198 P CA -0.980 62.184 63.100 0.108 0.000 0.800 198 P CB 1.613 33.465 31.700 0.254 0.000 0.961 199 I N 1.903 122.515 120.570 0.070 0.000 2.406 199 I HA 0.745 5.088 4.170 -0.029 -0.191 0.290 199 I C -1.901 174.265 176.117 0.081 0.000 0.999 199 I CA -2.640 58.660 61.300 0.001 0.000 1.124 199 I CB 3.128 41.000 38.000 -0.213 0.000 1.289 199 I HN -0.302 7.977 8.210 0.115 0.000 0.441 200 V N 3.627 123.603 119.914 0.103 0.000 2.919 200 V HA 0.980 5.316 4.120 0.110 -0.151 0.316 200 V C -0.806 175.326 176.094 0.062 0.000 1.077 200 V CA -3.682 58.699 62.300 0.135 0.000 0.977 200 V CB 3.475 35.468 31.823 0.283 0.000 1.039 200 V HN 0.811 9.054 8.190 0.088 0.000 0.441 201 D N 1.428 121.845 120.400 0.027 0.000 2.414 201 D HA 0.207 4.832 4.640 -0.024 0.000 0.259 201 D C 1.533 177.847 176.300 0.023 0.000 1.269 201 D CA -0.940 53.056 54.000 -0.007 0.000 1.028 201 D CB 0.763 41.537 40.800 -0.042 0.000 1.093 201 D HN -0.018 8.370 8.370 0.029 0.000 0.545 202 S N -2.121 113.581 115.700 0.003 0.000 2.507 202 S HA -0.219 4.261 4.470 0.015 0.000 0.235 202 S C 0.867 175.472 174.600 0.009 0.000 0.988 202 S CA 2.236 60.440 58.200 0.007 0.000 0.944 202 S CB -0.345 62.852 63.200 -0.005 0.000 0.762 202 S HN 0.222 8.525 8.310 -0.012 0.000 0.526 203 S N 0.940 116.647 115.700 0.011 0.000 2.575 203 S HA 0.044 4.517 4.470 0.006 0.000 0.215 203 S C -0.407 174.214 174.600 0.035 0.000 0.966 203 S CA 0.314 58.522 58.200 0.013 0.000 0.911 203 S CB 0.507 63.710 63.200 0.004 0.000 0.780 203 S HN -0.572 7.907 8.310 0.007 -0.165 0.514 204 N N -3.604 115.136 118.700 0.067 0.000 2.850 204 N HA -0.319 4.534 4.740 0.188 0.000 0.249 204 N C -1.256 174.342 175.510 0.147 0.000 1.060 204 N CA 1.911 55.045 53.050 0.139 0.000 0.825 204 N CB -1.630 36.927 38.487 0.117 0.000 1.132 204 N HN -0.176 8.105 8.380 0.062 0.136 0.564 205 T N 0.623 115.217 114.554 0.067 0.000 2.884 205 T HA -0.056 4.291 4.350 -0.004 0.000 0.298 205 T C -0.945 173.761 174.700 0.011 0.000 0.998 205 T CA 1.437 63.545 62.100 0.014 0.000 1.124 205 T CB 0.936 69.799 68.868 -0.009 0.000 0.931 205 T HN -0.546 7.905 8.240 0.051 -0.181 0.531 206 L N 7.577 128.761 121.223 -0.064 0.000 2.385 206 L HA 0.017 4.372 4.340 0.025 0.000 0.281 206 L C -0.586 176.281 176.870 -0.005 0.000 1.106 206 L CA 0.017 54.827 54.840 -0.050 0.000 0.856 206 L CB 0.243 42.180 42.059 -0.203 0.000 1.186 206 L HN 0.228 8.385 8.230 -0.122 0.000 0.453 207 I N -0.522 120.071 120.570 0.038 0.000 3.854 207 I HA 0.387 4.559 4.170 0.002 0.000 0.312 207 I C -0.568 175.686 176.117 0.227 0.000 1.273 207 I CA -0.484 60.835 61.300 0.032 0.000 1.298 207 I CB 0.895 38.814 38.000 -0.134 0.000 1.071 207 I HN 0.098 8.343 8.210 0.059 0.000 0.428 208 G N -1.984 106.975 108.800 0.264 0.000 2.550 208 G HA2 0.274 4.547 3.960 0.323 0.000 0.293 208 G HA3 0.274 4.516 3.960 0.471 0.001 0.293 208 G C -3.260 171.772 174.900 0.220 0.000 1.402 208 G CA 0.317 45.620 45.100 0.337 0.000 0.784 208 G HN -0.657 7.746 8.290 0.187 0.000 0.482 209 A N -1.640 121.304 122.820 0.208 0.000 2.355 209 A HA 0.996 5.628 4.320 0.171 -0.209 0.317 209 A C -0.933 176.773 177.584 0.203 0.000 1.094 209 A CA -2.744 49.396 52.037 0.173 0.000 0.764 209 A CB 3.491 22.556 19.000 0.109 0.000 1.230 209 A HN -0.045 8.227 8.150 0.203 0.000 0.448 210 V N 1.086 121.116 119.914 0.192 0.000 2.617 210 V HA -0.272 3.794 4.120 -0.090 0.000 0.304 210 V C -0.381 175.695 176.094 -0.030 0.000 1.040 210 V CA 2.078 64.399 62.300 0.035 0.000 1.149 210 V CB -1.201 30.653 31.823 0.051 0.000 0.914 210 V HN 0.026 8.323 8.190 0.179 0.000 0.487 211 S N 7.447 123.045 115.700 -0.169 0.000 3.526 211 S HA 0.293 4.912 4.470 0.248 0.000 0.222 211 S C -1.801 172.884 174.600 0.141 0.000 1.001 211 S CA 0.731 58.982 58.200 0.086 0.000 0.831 211 S CB 2.634 65.905 63.200 0.118 0.000 0.941 211 S HN -0.052 7.986 8.310 -0.454 0.000 0.585 212 W N -4.202 116.925 121.300 -0.289 0.000 2.959 212 W HA 0.217 4.735 4.660 -0.237 0.000 0.358 212 W C -2.920 173.426 176.519 -0.290 0.000 1.228 212 W CA -0.527 56.656 57.345 -0.270 0.000 1.183 212 W CB 1.436 30.737 29.460 -0.264 0.000 1.467 212 W HN -0.200 7.712 8.180 -0.447 0.000 0.578 213 G N -2.742 106.020 108.800 -0.063 0.000 2.441 213 G HA2 -0.070 3.543 3.960 -0.580 0.000 0.294 213 G HA3 -0.070 3.767 3.960 -0.206 0.000 0.294 213 G C -2.625 172.375 174.900 0.166 0.000 1.393 213 G CA 0.379 45.367 45.100 -0.186 0.000 0.796 213 G HN -0.060 8.342 8.290 0.187 0.000 0.494 214 N N 2.338 121.185 118.700 0.246 0.000 2.521 214 N HA 0.064 4.860 4.740 0.094 0.000 0.236 214 N C 0.575 176.060 175.510 -0.041 0.000 1.067 214 N CA -1.536 51.556 53.050 0.069 0.000 0.939 214 N CB -0.432 37.918 38.487 -0.229 0.000 1.201 214 N HN -0.289 8.305 8.380 0.357 0.000 0.511 215 G N 3.738 112.524 108.800 -0.022 0.000 2.552 215 G HA2 -0.394 3.554 3.960 -0.020 0.000 0.265 215 G HA3 -0.394 3.656 3.960 -0.043 -0.116 0.265 215 G C -1.843 173.055 174.900 -0.004 0.000 1.234 215 G CA -0.071 45.014 45.100 -0.025 0.000 0.944 215 G HN -0.269 8.020 8.290 -0.002 0.000 0.568 216 C N 2.651 121.951 119.300 0.000 0.000 2.642 216 C HA 0.059 4.523 4.460 0.007 0.000 0.344 216 C C -0.920 174.083 174.990 0.022 0.000 1.110 216 C CA -0.415 58.608 59.018 0.008 0.000 1.298 216 C CB 0.138 27.878 27.740 0.001 0.000 1.827 216 C HN -0.188 8.289 8.230 -0.004 -0.250 0.467 217 A N 5.915 128.755 122.820 0.034 0.000 2.860 217 A HA -0.429 3.919 4.320 0.047 0.000 0.267 217 A C -1.208 176.406 177.584 0.051 0.000 1.421 217 A CA 1.151 53.213 52.037 0.041 0.000 0.831 217 A CB -0.850 18.168 19.000 0.030 0.000 1.041 217 A HN 0.809 9.325 8.150 0.034 -0.346 0.623 218 R N -2.236 118.308 120.500 0.072 0.000 2.539 218 R HA 0.105 4.486 4.340 0.068 0.000 0.275 218 R C -2.148 174.223 176.300 0.118 0.000 1.077 218 R CA -2.469 53.688 56.100 0.096 0.000 1.097 218 R CB 0.208 30.579 30.300 0.119 0.000 1.018 218 R HN -0.101 8.137 8.270 0.075 0.077 0.483 219 P HA -0.255 4.397 4.420 0.029 -0.214 0.265 219 P C -0.653 176.662 177.300 0.025 0.000 1.193 219 P CA 0.879 64.009 63.100 0.049 0.000 0.765 219 P CB 0.154 31.875 31.700 0.034 0.000 0.823 220 N N -3.707 114.947 118.700 -0.075 0.000 2.741 220 N HA -0.448 4.166 4.740 -0.210 0.000 0.250 220 N C -1.777 173.386 175.510 -0.577 0.000 1.115 220 N CA 1.861 54.750 53.050 -0.268 0.000 0.724 220 N CB -1.235 37.066 38.487 -0.310 0.000 1.090 220 N HN 0.263 8.616 8.380 -0.046 0.000 0.558 221 Y N -1.914 118.328 120.300 -0.096 0.000 2.445 221 Y HA -0.027 4.357 4.550 -0.277 0.000 0.332 221 Y C -1.244 174.666 175.900 0.017 0.000 1.037 221 Y CA -1.068 56.949 58.100 -0.139 0.000 1.296 221 Y CB 0.890 39.259 38.460 -0.151 0.000 1.099 221 Y HN -0.883 7.363 8.280 0.026 0.050 0.496 222 S N 3.535 119.341 115.700 0.177 0.000 2.576 222 S HA -0.136 4.394 4.470 0.100 0.000 0.272 222 S C 0.370 175.015 174.600 0.074 0.000 1.352 222 S CA 1.243 59.526 58.200 0.138 0.000 1.021 222 S CB 0.643 63.917 63.200 0.123 0.000 0.887 222 S HN -0.208 8.492 8.310 0.138 -0.307 0.542 223 G N 0.056 108.854 108.800 -0.003 0.000 2.442 223 G HA2 0.140 3.902 3.960 -0.330 0.000 0.249 223 G HA3 0.140 4.084 3.960 -0.198 -0.103 0.249 223 G C -1.844 172.766 174.900 -0.482 0.000 1.263 223 G CA -0.177 44.773 45.100 -0.251 0.000 0.846 223 G HN -0.076 8.256 8.290 0.070 0.000 0.555 224 V N 2.685 122.013 119.914 -0.976 0.000 2.495 224 V HA 0.512 4.355 4.120 -0.697 -0.141 0.298 224 V C -1.082 174.349 176.094 -1.106 0.000 1.031 224 V CA -2.163 59.514 62.300 -1.039 0.000 0.871 224 V CB 1.794 32.612 31.823 -1.674 0.000 0.988 224 V HN 0.210 7.788 8.190 -1.021 0.000 0.432 225 Y N 4.512 124.435 120.300 -0.629 0.000 2.462 225 Y HA 0.371 4.820 4.550 -0.358 -0.114 0.346 225 Y C -1.279 174.387 175.900 -0.390 0.000 0.976 225 Y CA -2.086 55.667 58.100 -0.578 0.000 1.044 225 Y CB 4.141 41.961 38.460 -1.066 0.000 1.230 225 Y HN 0.700 8.637 8.280 -0.571 0.000 0.455 226 A N 2.640 125.451 122.820 -0.015 0.000 2.454 226 A HA 0.230 4.720 4.320 0.067 -0.129 0.260 226 A C -1.067 176.616 177.584 0.165 0.000 1.106 226 A CA -0.718 51.363 52.037 0.073 0.000 0.780 226 A CB 0.465 19.518 19.000 0.089 0.000 1.044 226 A HN 0.422 8.577 8.150 0.008 0.000 0.498 227 S N 4.153 119.988 115.700 0.225 0.000 2.416 227 S HA 0.221 5.034 4.470 0.572 0.000 0.287 227 S C 1.052 175.790 174.600 0.231 0.000 1.139 227 S CA -2.110 56.309 58.200 0.365 0.000 1.058 227 S CB 0.557 63.976 63.200 0.365 0.000 0.967 227 S HN -0.156 8.258 8.310 0.172 0.000 0.495 228 V N 7.676 127.721 119.914 0.218 0.000 2.332 228 V HA -0.459 3.751 4.120 0.151 0.000 0.248 228 V C 1.676 177.834 176.094 0.106 0.000 1.055 228 V CA 3.900 66.285 62.300 0.142 0.000 1.038 228 V CB -0.072 31.813 31.823 0.102 0.000 0.651 228 V HN 0.226 8.580 8.190 0.273 0.000 0.450 229 G N -1.885 106.961 108.800 0.077 0.000 2.450 229 G HA2 -0.309 3.782 3.960 0.036 0.000 0.220 229 G HA3 -0.309 3.802 3.960 0.021 -0.138 0.220 229 G C -0.173 174.769 174.900 0.069 0.000 1.130 229 G CA 1.983 47.111 45.100 0.047 0.000 0.760 229 G HN 0.222 8.558 8.290 0.075 0.000 0.557 230 A N -0.744 122.134 122.820 0.096 0.000 2.123 230 A HA 0.005 4.373 4.320 0.081 0.000 0.214 230 A C 0.107 177.761 177.584 0.117 0.000 1.152 230 A CA 1.312 53.406 52.037 0.096 0.000 0.728 230 A CB 0.253 19.313 19.000 0.099 0.000 0.814 230 A HN -0.668 7.527 8.150 0.113 0.023 0.464 231 L N -4.152 117.160 121.223 0.147 0.000 3.066 231 L HA 0.309 4.794 4.340 0.243 0.000 0.265 231 L C 0.049 177.067 176.870 0.248 0.000 1.232 231 L CA -1.317 53.658 54.840 0.223 0.000 1.031 231 L CB -0.047 42.147 42.059 0.225 0.000 1.379 231 L HN -0.706 7.434 8.230 0.139 0.174 0.563 232 R N -0.330 120.264 120.500 0.158 0.000 2.148 232 R HA -0.269 4.135 4.340 0.106 0.000 0.227 232 R C 1.771 178.137 176.300 0.110 0.000 1.103 232 R CA 2.332 58.499 56.100 0.111 0.000 0.983 232 R CB -0.722 29.615 30.300 0.061 0.000 0.874 232 R HN -0.263 8.022 8.270 0.133 0.065 0.451 233 S N -0.994 114.790 115.700 0.140 0.000 2.356 233 S HA -0.292 4.209 4.470 0.052 0.000 0.223 233 S C 1.451 176.128 174.600 0.128 0.000 1.032 233 S CA 3.359 61.622 58.200 0.106 0.000 1.005 233 S CB -0.419 62.850 63.200 0.114 0.000 0.867 233 S HN 0.117 8.522 8.310 0.158 0.000 0.449 234 F N 1.982 121.981 119.950 0.081 0.000 2.102 234 F HA -0.276 4.310 4.527 0.098 0.000 0.298 234 F C 1.319 177.199 175.800 0.134 0.000 1.105 234 F CA 2.653 60.712 58.000 0.097 0.000 1.239 234 F CB 0.033 39.060 39.000 0.044 0.000 0.991 234 F HN -0.712 7.829 8.300 0.403 0.000 0.474 235 I N -1.336 119.224 120.570 -0.016 0.000 2.163 235 I HA -0.695 3.265 4.170 -0.351 0.000 0.243 235 I C 1.719 177.734 176.117 -0.170 0.000 1.085 235 I CA 4.315 65.518 61.300 -0.162 0.000 1.347 235 I CB -0.410 37.597 38.000 0.012 0.000 1.044 235 I HN -0.627 7.711 8.210 0.213 0.000 0.408 236 D N -0.753 119.588 120.400 -0.099 0.000 2.144 236 D HA -0.190 4.388 4.640 -0.103 0.000 0.200 236 D C 2.333 178.523 176.300 -0.183 0.000 0.978 236 D CA 2.969 56.903 54.000 -0.111 0.000 0.833 236 D CB -0.477 40.283 40.800 -0.067 0.000 0.961 236 D HN -0.012 8.330 8.370 -0.047 0.000 0.470 237 T N -0.235 114.161 114.554 -0.264 0.000 2.777 237 T HA -0.237 3.894 4.350 -0.366 0.000 0.266 237 T C 1.251 175.588 174.700 -0.605 0.000 1.040 237 T CA 3.404 65.219 62.100 -0.476 0.000 1.141 237 T CB 0.465 68.940 68.868 -0.655 0.000 0.868 237 T HN -0.485 7.602 8.240 -0.219 0.022 0.444 238 Y N -2.303 117.835 120.300 -0.270 0.000 2.442 238 Y HA 0.050 4.489 4.550 -0.185 0.000 0.250 238 Y C -0.612 175.149 175.900 -0.232 0.000 1.113 238 Y CA -0.418 57.521 58.100 -0.268 0.000 1.273 238 Y CB 0.219 38.438 38.460 -0.401 0.000 1.138 238 Y HN -0.714 7.361 8.280 -0.342 0.000 0.522 239 A N 0.000 122.747 122.820 -0.122 0.000 2.254 239 A HA 0.000 4.260 4.320 -0.100 0.000 0.244 239 A CA 0.000 51.972 52.037 -0.108 0.000 0.836 239 A CB 0.000 18.930 19.000 -0.116 0.000 0.831 239 A HN 0.000 8.052 8.150 -0.164 0.000 0.486