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 3bsq_1_A DATA FIRST_RESID 16 DATA SEQUENCE IIDGAPcARG SHPWQVALLS GNQLHcGGVL VNERWVLTAA HcKMNEYTVH DATA SEQUENCE LGSDTLGDRR AQRIKASKSF RHPGYSTQTH VNDLMLVKLN SQARLSSMVK DATA SEQUENCE KVRLPSRcEP PGTTcTVSGW GTTTSPDVTF PSDLMcVDVK LISPQDcTKV DATA SEQUENCE YKDLLENSML cAGIPDSKKN AcNGDSGGPL VcRGTLQGLV SWGTFPcGQP DATA SEQUENCE NDPGVYTQVc KFTKWINDTM KHH 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 4.170 4.170 -0.000 0.000 0.288 16 I C 0.000 176.131 176.117 0.023 0.000 1.063 16 I CA 0.000 61.318 61.300 0.030 0.000 1.566 16 I CB 0.000 37.998 38.000 -0.003 0.000 1.214 17 I N 5.307 125.892 120.570 0.024 0.000 2.359 17 I HA 0.364 4.535 4.170 0.001 0.000 0.294 17 I C 0.672 176.796 176.117 0.012 0.000 0.987 17 I CA -0.112 61.197 61.300 0.016 0.000 1.225 17 I CB 1.086 39.097 38.000 0.019 0.000 1.366 17 I HN 0.738 8.948 8.210 -0.000 0.000 0.466 18 D N 3.889 124.292 120.400 0.005 0.000 2.907 18 D HA -0.127 4.514 4.640 0.001 0.000 0.226 18 D C 0.403 176.705 176.300 0.003 0.000 1.141 18 D CA 1.222 55.224 54.000 0.003 0.000 0.779 18 D CB -0.714 40.089 40.800 0.005 0.000 1.095 18 D HN 0.892 9.262 8.370 -0.000 0.000 0.430 19 G N -1.109 107.691 108.800 0.000 0.000 2.828 19 G HA2 0.877 4.838 3.960 0.001 0.000 0.244 19 G HA3 0.877 4.838 3.960 0.001 0.000 0.244 19 G C -0.671 174.223 174.900 -0.010 0.000 1.365 19 G CA 0.119 45.216 45.100 -0.005 0.000 1.041 19 G HN 0.729 9.019 8.290 -0.000 0.000 0.560 20 A N -0.641 122.168 122.820 -0.019 0.000 2.539 20 A HA 0.821 5.142 4.320 0.001 0.000 0.296 20 A C -2.929 174.633 177.584 -0.037 0.000 1.073 20 A CA -1.358 50.668 52.037 -0.019 0.000 0.700 20 A CB 1.629 20.623 19.000 -0.010 0.000 1.296 20 A HN 0.396 8.546 8.150 -0.000 0.000 0.405 21 P HA 0.147 4.567 4.420 -0.000 0.000 0.261 21 P C -0.023 177.243 177.300 -0.056 0.000 1.203 21 P CA 0.033 63.108 63.100 -0.043 0.000 0.767 21 P CB -0.208 31.483 31.700 -0.016 0.000 0.785 22 c N 3.775 122.309 118.600 -0.111 0.000 2.641 22 c HA 0.220 4.791 4.570 0.001 0.000 0.412 22 c C 1.449 175.510 174.090 -0.047 0.000 1.312 22 c CA 0.131 56.390 56.329 -0.116 0.000 1.838 22 c CB -0.810 41.520 42.510 -0.300 0.000 2.682 22 c HN 0.646 8.877 8.230 -0.000 0.000 0.627 23 A N 5.456 128.279 122.820 0.006 0.000 2.488 23 A HA 0.318 4.639 4.320 0.001 0.000 0.249 23 A C 0.527 178.119 177.584 0.014 0.000 1.083 23 A CA -0.144 51.902 52.037 0.015 0.000 0.768 23 A CB 0.229 19.246 19.000 0.027 0.000 1.017 23 A HN 0.870 9.020 8.150 -0.000 0.000 0.496 24 R N 1.479 121.982 120.500 0.005 0.000 2.474 24 R HA -0.039 4.302 4.340 0.001 0.000 0.290 24 R C 1.446 177.739 176.300 -0.011 0.000 0.918 24 R CA 1.222 57.323 56.100 0.001 0.000 1.130 24 R CB -0.919 29.384 30.300 0.004 0.000 0.881 24 R HN 1.770 10.040 8.270 -0.000 0.000 0.416 25 G N 1.938 110.724 108.800 -0.022 0.000 2.296 25 G HA2 -0.365 3.596 3.960 0.001 0.000 0.282 25 G HA3 -0.365 3.596 3.960 0.001 0.000 0.282 25 G C 0.663 175.495 174.900 -0.114 0.000 1.014 25 G CA 1.060 46.124 45.100 -0.060 0.000 0.812 25 G HN 0.693 8.983 8.290 -0.000 0.000 0.508 26 S N -1.420 114.225 115.700 -0.092 0.000 2.575 26 S HA 0.191 4.662 4.470 0.001 0.000 0.215 26 S C 0.750 175.012 174.600 -0.564 0.000 0.966 26 S CA 0.214 58.303 58.200 -0.186 0.000 0.911 26 S CB 0.065 63.243 63.200 -0.037 0.000 0.780 26 S HN 0.611 8.921 8.310 -0.000 0.000 0.514 27 H N 1.465 120.172 119.070 -0.605 0.000 2.624 27 H HA 0.271 4.828 4.556 0.001 0.000 0.233 27 H C -2.288 172.452 175.328 -0.981 0.000 1.376 27 H CA -1.301 54.142 56.048 -1.008 0.000 1.137 27 H CB 1.062 30.505 29.762 -0.533 0.000 1.867 27 H HN 0.361 8.641 8.280 -0.000 0.000 0.547 28 P HA -0.084 4.336 4.420 -0.000 0.000 0.237 28 P C 1.089 178.292 177.300 -0.163 0.000 1.178 28 P CA 0.527 63.416 63.100 -0.352 0.000 0.766 28 P CB -0.300 31.274 31.700 -0.209 0.000 0.876 29 W N -0.298 121.039 121.300 0.063 0.000 3.003 29 W HA 0.321 4.982 4.660 0.002 0.000 0.257 29 W C 0.647 177.227 176.519 0.102 0.000 1.308 29 W CA -0.428 56.956 57.345 0.065 0.000 1.529 29 W CB -1.443 28.041 29.460 0.039 0.000 1.115 29 W HN -0.120 8.060 8.180 -0.000 0.000 0.659 30 Q N 2.801 122.672 119.800 0.118 0.000 2.304 30 Q HA 0.384 4.725 4.340 0.001 0.000 0.260 30 Q C -0.201 175.974 176.000 0.291 0.000 0.965 30 Q CA -0.326 55.620 55.803 0.238 0.000 0.898 30 Q CB 1.346 30.141 28.738 0.094 0.000 1.196 30 Q HN 0.209 8.479 8.270 -0.000 0.000 0.402 31 V N 0.292 120.416 119.914 0.351 0.000 3.126 31 V HA 1.037 5.158 4.120 0.001 0.000 0.314 31 V C -1.034 175.339 176.094 0.465 0.000 1.138 31 V CA -0.667 61.843 62.300 0.349 0.000 1.034 31 V CB 1.641 33.580 31.823 0.193 0.000 1.075 31 V HN 0.909 9.099 8.190 -0.000 0.000 0.442 32 A N 2.246 125.248 122.820 0.302 0.000 2.371 32 A HA 0.867 5.188 4.320 0.001 0.000 0.311 32 A C -0.887 176.755 177.584 0.095 0.000 1.068 32 A CA -0.765 51.361 52.037 0.147 0.000 0.744 32 A CB 1.346 20.174 19.000 -0.287 0.000 1.239 32 A HN 0.992 9.142 8.150 -0.000 0.000 0.435 33 L N 3.002 124.290 121.223 0.108 0.000 2.272 33 L HA 0.488 4.829 4.340 0.001 0.000 0.289 33 L C -0.918 176.017 176.870 0.109 0.000 1.032 33 L CA -0.265 54.657 54.840 0.138 0.000 0.810 33 L CB 0.974 43.161 42.059 0.214 0.000 1.205 33 L HN 0.598 8.828 8.230 -0.000 0.000 0.422 34 L N 2.423 123.682 121.223 0.060 0.000 2.334 34 L HA 0.590 4.931 4.340 0.001 0.000 0.273 34 L C 0.017 176.867 176.870 -0.033 0.000 1.013 34 L CA -0.303 54.532 54.840 -0.008 0.000 0.816 34 L CB 2.059 44.077 42.059 -0.068 0.000 1.278 34 L HN 0.479 8.709 8.230 -0.000 0.000 0.431 35 S N 0.311 115.962 115.700 -0.082 0.000 2.521 35 S HA 0.777 5.248 4.470 0.001 0.000 0.295 35 S C 0.328 174.859 174.600 -0.115 0.000 1.098 35 S CA 0.310 58.421 58.200 -0.148 0.000 0.999 35 S CB 1.414 64.446 63.200 -0.279 0.000 1.034 35 S HN 1.059 9.369 8.310 -0.000 0.000 0.483 36 G N 4.560 113.297 108.800 -0.105 0.000 2.596 36 G HA2 -0.314 3.646 3.960 0.001 0.000 0.304 36 G HA3 -0.314 3.646 3.960 0.001 0.000 0.304 36 G C 0.204 175.058 174.900 -0.076 0.000 1.189 36 G CA 0.797 45.848 45.100 -0.081 0.000 0.986 36 G HN 0.786 9.076 8.290 -0.000 0.000 0.548 37 N N 0.279 118.933 118.700 -0.077 0.000 2.365 37 N HA 0.333 5.074 4.740 0.001 0.000 0.257 37 N C -0.054 175.389 175.510 -0.112 0.000 1.287 37 N CA -0.144 52.853 53.050 -0.089 0.000 0.882 37 N CB 0.841 39.281 38.487 -0.079 0.000 1.250 37 N HN 0.424 8.804 8.380 -0.000 0.000 0.507 38 Q N 1.543 121.279 119.800 -0.106 0.000 2.243 38 Q HA 0.318 4.658 4.340 0.001 0.000 0.252 38 Q C -0.754 175.162 176.000 -0.139 0.000 0.909 38 Q CA -0.657 55.068 55.803 -0.130 0.000 0.922 38 Q CB 1.118 29.799 28.738 -0.095 0.000 1.215 38 Q HN 0.247 8.517 8.270 -0.000 0.000 0.427 39 L N 3.508 124.598 121.223 -0.221 0.000 2.540 39 L HA -0.008 4.333 4.340 0.001 0.000 0.276 39 L C 0.201 177.021 176.870 -0.083 0.000 1.212 39 L CA 1.161 55.883 54.840 -0.197 0.000 0.893 39 L CB 0.375 42.254 42.059 -0.299 0.000 1.138 39 L HN 0.881 9.111 8.230 -0.000 0.000 0.491 40 H N 3.800 122.813 119.070 -0.096 0.000 2.408 40 H HA 0.288 4.845 4.556 0.001 0.000 0.271 40 H C -0.398 174.942 175.328 0.020 0.000 0.957 40 H CA 0.305 56.330 56.048 -0.038 0.000 1.170 40 H CB 0.886 30.636 29.762 -0.020 0.000 1.458 40 H HN 0.623 8.903 8.280 -0.000 0.000 0.491 41 c N -0.005 118.622 118.600 0.046 0.000 3.241 41 c HA 0.576 5.146 4.570 0.001 0.000 0.312 41 c C 0.767 174.932 174.090 0.125 0.000 1.350 41 c CA -0.335 56.013 56.329 0.031 0.000 1.415 41 c CB 1.320 43.835 42.510 0.009 0.000 1.770 41 c HN 0.626 8.856 8.230 -0.000 0.000 0.466 42 G N -0.043 108.845 108.800 0.148 0.000 2.532 42 G HA2 0.785 4.746 3.960 0.001 0.000 0.291 42 G HA3 0.785 4.746 3.960 0.001 0.000 0.291 42 G C -0.174 174.826 174.900 0.167 0.000 1.349 42 G CA 0.242 45.476 45.100 0.224 0.000 1.038 42 G HN 1.493 9.783 8.290 -0.000 0.000 0.518 43 G N -2.776 106.143 108.800 0.198 0.000 2.356 43 G HA2 0.599 4.560 3.960 0.001 0.000 0.294 43 G HA3 0.599 4.560 3.960 0.001 0.000 0.294 43 G C -1.535 173.486 174.900 0.200 0.000 1.423 43 G CA 0.167 45.361 45.100 0.157 0.000 0.806 43 G HN 1.534 9.824 8.290 -0.000 0.000 0.527 44 V N -1.534 118.484 119.914 0.175 0.000 2.789 44 V HA 0.784 4.904 4.120 0.001 0.000 0.311 44 V C -0.420 175.782 176.094 0.179 0.000 1.073 44 V CA -1.136 61.292 62.300 0.213 0.000 0.921 44 V CB 1.675 33.601 31.823 0.171 0.000 1.009 44 V HN 0.936 9.126 8.190 -0.000 0.000 0.426 45 L N 4.791 126.140 121.223 0.210 0.000 2.325 45 L HA 0.421 4.762 4.340 0.001 0.000 0.284 45 L C 1.072 178.034 176.870 0.153 0.000 1.089 45 L CA 0.457 55.400 54.840 0.171 0.000 0.836 45 L CB 1.362 43.521 42.059 0.167 0.000 1.184 45 L HN 0.775 9.005 8.230 -0.000 0.000 0.444 46 V N 2.363 122.363 119.914 0.143 0.000 2.535 46 V HA 0.234 4.355 4.120 0.001 0.000 0.246 46 V C 0.672 176.835 176.094 0.114 0.000 1.045 46 V CA 1.075 63.439 62.300 0.107 0.000 1.058 46 V CB -0.816 31.053 31.823 0.078 0.000 0.689 46 V HN 0.944 9.134 8.190 -0.000 0.000 0.461 47 N N -0.805 117.991 118.700 0.160 0.000 3.308 47 N HA 0.110 4.850 4.740 0.001 0.000 0.276 47 N C 0.163 175.751 175.510 0.131 0.000 1.533 47 N CA 0.001 53.137 53.050 0.142 0.000 0.878 47 N CB 1.366 39.941 38.487 0.146 0.000 1.566 47 N HN -0.037 8.343 8.380 -0.000 0.000 0.546 48 E N -0.122 120.134 120.200 0.093 0.000 2.273 48 E HA -0.061 4.290 4.350 0.001 0.000 0.198 48 E C 0.966 177.561 176.600 -0.008 0.000 1.002 48 E CA 1.409 57.835 56.400 0.044 0.000 0.828 48 E CB 0.027 29.747 29.700 0.033 0.000 0.747 48 E HN 0.301 8.661 8.360 -0.000 0.000 0.491 49 R N -1.377 119.114 120.500 -0.014 0.000 2.437 49 R HA 0.155 4.496 4.340 0.001 0.000 0.257 49 R C -0.838 175.142 176.300 -0.535 0.000 0.927 49 R CA 0.097 56.019 56.100 -0.295 0.000 1.078 49 R CB 0.486 30.542 30.300 -0.406 0.000 1.161 49 R HN 0.100 8.370 8.270 -0.000 0.000 0.529 50 W N -0.462 120.829 121.300 -0.015 0.000 3.138 50 W HA 0.466 5.127 4.660 0.002 0.000 0.331 50 W C -0.772 175.743 176.519 -0.007 0.000 1.166 50 W CA -0.673 56.660 57.345 -0.019 0.000 1.212 50 W CB 1.483 30.925 29.460 -0.030 0.000 1.399 50 W HN -0.427 7.753 8.180 -0.000 0.000 0.514 51 V N 3.866 123.922 119.914 0.237 0.000 2.876 51 V HA 0.535 4.656 4.120 0.001 0.000 0.312 51 V C -0.138 176.055 176.094 0.164 0.000 1.085 51 V CA -1.365 61.023 62.300 0.146 0.000 0.945 51 V CB 1.974 33.830 31.823 0.053 0.000 1.017 51 V HN 0.594 8.784 8.190 -0.000 0.000 0.428 52 L N 2.660 123.961 121.223 0.130 0.000 2.649 52 L HA -0.108 4.233 4.340 0.001 0.000 0.719 52 L C -0.273 176.636 176.870 0.065 0.000 1.174 52 L CA 0.445 55.345 54.840 0.099 0.000 1.384 52 L CB -1.378 40.743 42.059 0.103 0.000 2.099 52 L HN 1.105 9.335 8.230 -0.000 0.000 0.951 53 T N -1.044 113.528 114.554 0.029 0.000 2.681 53 T HA 0.752 5.103 4.350 0.001 0.000 0.296 53 T C 0.036 174.698 174.700 -0.062 0.000 1.157 53 T CA -0.102 61.991 62.100 -0.011 0.000 1.025 53 T CB 1.894 70.737 68.868 -0.042 0.000 1.441 53 T HN 0.606 8.846 8.240 -0.000 0.000 0.504 54 A N 0.108 122.849 122.820 -0.131 0.000 2.322 54 A HA 0.726 5.047 4.320 0.001 0.000 0.269 54 A C 1.545 178.942 177.584 -0.312 0.000 1.094 54 A CA 0.041 51.943 52.037 -0.225 0.000 0.807 54 A CB -0.091 18.721 19.000 -0.313 0.000 1.047 54 A HN 1.115 9.265 8.150 -0.000 0.000 0.487 55 A N 0.729 123.306 122.820 -0.404 0.000 1.930 55 A HA -0.109 4.212 4.320 0.001 0.000 0.217 55 A C 1.728 179.037 177.584 -0.458 0.000 1.175 55 A CA 1.603 53.311 52.037 -0.548 0.000 0.627 55 A CB -0.965 17.369 19.000 -1.110 0.000 0.815 55 A HN 1.067 9.217 8.150 -0.000 0.000 0.443 56 H N -1.708 117.171 119.070 -0.319 0.000 2.561 56 H HA -0.025 4.532 4.556 0.001 0.000 0.278 56 H C 1.207 176.560 175.328 0.042 0.000 1.014 56 H CA 1.186 57.212 56.048 -0.036 0.000 1.211 56 H CB -0.791 29.038 29.762 0.113 0.000 1.365 56 H HN 0.405 8.685 8.280 -0.000 0.000 0.594 57 c N 1.328 119.749 118.600 -0.298 0.000 2.576 57 c HA 0.132 4.703 4.570 0.001 0.000 0.267 57 c C 1.315 175.536 174.090 0.218 0.000 1.364 57 c CA -0.543 55.765 56.329 -0.034 0.000 1.723 57 c CB -1.387 41.068 42.510 -0.092 0.000 1.778 57 c HN 0.384 8.614 8.230 -0.000 0.000 0.572 58 K N 1.076 121.565 120.400 0.148 0.000 2.336 58 K HA 0.346 4.666 4.320 0.001 0.000 0.262 58 K C 0.107 176.746 176.600 0.064 0.000 0.992 58 K CA 0.766 57.160 56.287 0.179 0.000 0.927 58 K CB 0.135 32.697 32.500 0.102 0.000 0.956 58 K HN 0.347 8.597 8.250 -0.000 0.000 0.495 59 M N 0.866 120.398 119.600 -0.113 0.000 7.072 59 M HA -0.264 4.217 4.480 0.001 0.000 0.157 59 M C 0.052 176.053 176.300 -0.499 0.000 0.658 59 M CA 1.145 56.185 55.300 -0.433 0.000 1.292 59 M CB -0.930 31.174 32.600 -0.827 0.000 0.577 59 M HN 1.097 9.387 8.290 -0.000 0.000 0.191 60 N N -0.962 117.425 118.700 -0.522 0.000 2.467 60 N HA 0.068 4.809 4.740 0.001 0.000 0.316 60 N C -0.114 175.241 175.510 -0.258 0.000 0.649 60 N CA 0.258 53.141 53.050 -0.278 0.000 0.731 60 N CB 1.120 39.483 38.487 -0.207 0.000 2.323 60 N HN 0.849 9.229 8.380 -0.000 0.000 1.339 61 E N -0.004 119.983 120.200 -0.354 0.000 2.623 61 E HA 0.444 4.795 4.350 0.001 0.000 0.146 61 E C -1.476 174.718 176.600 -0.677 0.000 0.887 61 E CA -0.737 55.382 56.400 -0.468 0.000 0.843 61 E CB 1.521 31.154 29.700 -0.112 0.000 2.109 61 E HN 0.159 8.519 8.360 -0.000 0.000 0.407 62 Y N -0.394 119.857 120.300 -0.080 0.000 2.424 62 Y HA 0.340 4.890 4.550 0.001 0.000 0.323 62 Y C -1.186 174.680 175.900 -0.056 0.000 1.174 62 Y CA -0.862 57.200 58.100 -0.064 0.000 1.060 62 Y CB 2.859 41.288 38.460 -0.051 0.000 1.314 62 Y HN 0.316 8.596 8.280 -0.000 0.000 0.439 63 T N 3.441 118.056 114.554 0.102 0.000 2.770 63 T HA 0.520 4.870 4.350 0.001 0.000 0.283 63 T C -0.710 174.028 174.700 0.065 0.000 0.988 63 T CA -0.635 61.496 62.100 0.052 0.000 0.957 63 T CB 1.034 69.905 68.868 0.005 0.000 0.930 63 T HN 0.277 8.517 8.240 -0.000 0.000 0.443 64 V N 4.974 124.917 119.914 0.049 0.000 2.370 64 V HA 0.299 4.420 4.120 0.001 0.000 0.279 64 V C 0.190 176.313 176.094 0.049 0.000 1.029 64 V CA -0.833 61.495 62.300 0.047 0.000 0.870 64 V CB 0.856 32.687 31.823 0.013 0.000 0.984 64 V HN 0.818 9.008 8.190 -0.000 0.000 0.451 65 H N 6.667 125.710 119.070 -0.045 0.000 2.459 65 H HA 0.758 5.315 4.556 0.001 0.000 0.332 65 H C -1.528 173.788 175.328 -0.021 0.000 1.094 65 H CA -0.590 55.413 56.048 -0.075 0.000 1.224 65 H CB 1.716 31.367 29.762 -0.185 0.000 1.449 65 H HN 0.515 8.795 8.280 -0.000 0.000 0.484 66 L N 2.536 123.390 121.223 -0.616 0.000 2.789 66 L HA 0.540 4.881 4.340 0.001 0.000 0.258 66 L C -0.653 175.992 176.870 -0.375 0.000 0.966 66 L CA -0.873 53.730 54.840 -0.395 0.000 0.916 66 L CB 1.187 43.184 42.059 -0.104 0.000 1.475 66 L HN 0.755 8.985 8.230 -0.000 0.000 0.418 67 G N -0.621 108.042 108.800 -0.229 0.000 2.739 67 G HA2 0.761 4.722 3.960 0.001 0.000 0.291 67 G HA3 0.761 4.722 3.960 0.001 0.000 0.291 67 G C -0.807 174.063 174.900 -0.050 0.000 1.478 67 G CA 0.372 45.397 45.100 -0.126 0.000 1.062 67 G HN 0.965 9.255 8.290 -0.000 0.000 0.532 68 S N 1.298 117.021 115.700 0.039 0.000 3.860 68 S HA 0.190 4.661 4.470 0.001 0.000 0.270 68 S C 0.235 175.019 174.600 0.307 0.000 1.162 68 S CA 0.878 59.204 58.200 0.210 0.000 1.725 68 S CB -0.593 62.763 63.200 0.259 0.000 1.541 68 S HN 0.743 9.053 8.310 -0.000 0.000 0.281 69 D N 0.046 120.689 120.400 0.405 0.000 3.624 69 D HA -0.140 4.501 4.640 0.001 0.000 0.198 69 D C 0.236 176.805 176.300 0.447 0.000 1.553 69 D CA 2.554 56.750 54.000 0.327 0.000 2.254 69 D CB -1.330 39.555 40.800 0.141 0.000 1.308 69 D HN 0.565 8.935 8.370 -0.000 0.000 0.404 70 T N 0.866 115.611 114.554 0.319 0.000 2.807 70 T HA 0.656 5.007 4.350 0.001 0.000 0.279 70 T C 0.191 174.902 174.700 0.017 0.000 0.993 70 T CA -0.628 61.592 62.100 0.199 0.000 0.970 70 T CB 1.490 70.426 68.868 0.114 0.000 0.950 70 T HN 0.023 8.263 8.240 -0.000 0.000 0.441 71 L N 3.067 124.154 121.223 -0.227 0.000 2.268 71 L HA 0.716 5.057 4.340 0.001 0.000 0.289 71 L C 0.708 177.455 176.870 -0.205 0.000 1.064 71 L CA -0.459 54.103 54.840 -0.463 0.000 0.824 71 L CB 0.479 42.096 42.059 -0.737 0.000 1.202 71 L HN 0.834 9.064 8.230 -0.000 0.000 0.433 72 G N 2.445 111.171 108.800 -0.122 0.000 2.596 72 G HA2 0.361 4.322 3.960 0.001 0.000 0.300 72 G HA3 0.361 4.322 3.960 0.001 0.000 0.300 72 G C -1.541 173.359 174.900 0.001 0.000 1.370 72 G CA -0.589 44.461 45.100 -0.083 0.000 1.170 72 G HN 0.528 8.818 8.290 -0.000 0.000 0.594 73 D N 0.184 120.614 120.400 0.049 0.000 2.616 73 D HA 0.769 5.410 4.640 0.001 0.000 0.260 73 D C 1.121 177.446 176.300 0.043 0.000 1.158 73 D CA -0.159 53.862 54.000 0.035 0.000 1.085 73 D CB 1.407 42.230 40.800 0.039 0.000 1.222 73 D HN 0.672 9.042 8.370 -0.000 0.000 0.626 74 R N -1.565 118.949 120.500 0.023 0.000 2.197 74 R HA 0.466 4.807 4.340 0.001 0.000 0.188 74 R C 1.684 177.986 176.300 0.003 0.000 1.015 74 R CA 2.193 58.300 56.100 0.011 0.000 1.132 74 R CB -1.516 28.789 30.300 0.009 0.000 1.134 74 R HN 1.156 9.426 8.270 -0.000 0.000 0.560 75 R N -0.802 119.696 120.500 -0.003 0.000 3.261 75 R HA 0.239 4.580 4.340 0.001 0.000 0.257 75 R C 0.540 176.838 176.300 -0.003 0.000 1.014 75 R CA 1.714 57.812 56.100 -0.004 0.000 0.681 75 R CB -3.215 27.085 30.300 0.001 0.000 1.155 75 R HN 2.550 10.820 8.270 -0.000 0.000 0.424 76 A N -0.916 121.892 122.820 -0.021 0.000 5.813 76 A HA 0.687 5.007 4.320 0.001 0.000 0.186 76 A C -1.155 176.359 177.584 -0.116 0.000 0.898 76 A CA 0.087 52.101 52.037 -0.038 0.000 0.822 76 A CB 0.274 19.252 19.000 -0.037 0.000 2.156 76 A HN 1.091 9.241 8.150 -0.000 0.000 1.053 77 Q N 0.209 119.915 119.800 -0.157 0.000 2.312 77 Q HA 0.681 5.021 4.340 0.001 0.000 0.263 77 Q C -1.218 174.732 176.000 -0.083 0.000 0.995 77 Q CA -0.703 55.048 55.803 -0.086 0.000 0.853 77 Q CB 2.074 30.768 28.738 -0.073 0.000 1.300 77 Q HN 0.486 8.755 8.270 -0.000 0.000 0.448 78 R N 1.590 122.069 120.500 -0.035 0.000 2.368 78 R HA 0.634 4.975 4.340 0.001 0.000 0.302 78 R C -0.609 175.678 176.300 -0.022 0.000 1.002 78 R CA -0.094 55.997 56.100 -0.015 0.000 0.929 78 R CB 0.966 31.266 30.300 -0.001 0.000 1.073 78 R HN 0.528 8.798 8.270 -0.000 0.000 0.464 79 I N 1.090 121.650 120.570 -0.018 0.000 2.619 79 I HA 0.312 4.483 4.170 0.001 0.000 0.292 79 I C -0.463 175.646 176.117 -0.013 0.000 1.100 79 I CA -0.924 60.362 61.300 -0.023 0.000 1.043 79 I CB 2.326 40.305 38.000 -0.035 0.000 1.239 79 I HN 0.405 8.615 8.210 -0.000 0.000 0.420 80 K N 3.370 123.760 120.400 -0.017 0.000 2.144 80 K HA 0.693 5.014 4.320 0.001 0.000 0.270 80 K C 0.175 176.769 176.600 -0.011 0.000 1.005 80 K CA -0.022 56.262 56.287 -0.006 0.000 0.932 80 K CB 1.717 34.209 32.500 -0.014 0.000 1.021 80 K HN 0.784 9.034 8.250 -0.000 0.000 0.462 81 A N 1.573 124.409 122.820 0.027 0.000 2.106 81 A HA 0.153 4.474 4.320 0.001 0.000 0.218 81 A C 0.886 178.476 177.584 0.010 0.000 1.718 81 A CA 1.118 53.167 52.037 0.020 0.000 0.768 81 A CB -0.291 18.778 19.000 0.114 0.000 1.321 81 A HN 0.874 9.024 8.150 -0.000 0.000 0.567 82 S N -1.885 113.855 115.700 0.067 0.000 1.620 82 S HA -0.179 4.292 4.470 0.001 0.000 0.239 82 S C 0.418 175.002 174.600 -0.026 0.000 0.823 82 S CA 2.007 60.210 58.200 0.005 0.000 1.359 82 S CB -1.045 62.141 63.200 -0.023 0.000 1.678 82 S HN 0.715 9.025 8.310 -0.000 0.000 0.521 83 K N 1.758 122.115 120.400 -0.072 0.000 2.324 83 K HA 0.690 5.010 4.320 0.001 0.000 0.253 83 K C -0.900 175.498 176.600 -0.337 0.000 0.932 83 K CA 0.367 56.525 56.287 -0.215 0.000 0.799 83 K CB 1.959 34.363 32.500 -0.160 0.000 1.154 83 K HN 0.420 8.670 8.250 -0.000 0.000 0.425 84 S N 2.079 117.403 115.700 -0.627 0.000 2.537 84 S HA 0.684 5.155 4.470 0.001 0.000 0.271 84 S C -1.519 172.640 174.600 -0.734 0.000 1.148 84 S CA -0.946 56.940 58.200 -0.523 0.000 0.868 84 S CB 0.417 63.539 63.200 -0.129 0.000 1.115 84 S HN 0.253 8.563 8.310 -0.000 0.000 0.461 85 F N 0.864 120.879 119.950 0.109 0.000 2.507 85 F HA 0.622 5.150 4.527 0.001 0.000 0.328 85 F C 0.441 176.391 175.800 0.250 0.000 1.136 85 F CA -0.750 57.332 58.000 0.135 0.000 0.930 85 F CB 1.946 40.980 39.000 0.056 0.000 1.166 85 F HN 0.571 8.871 8.300 -0.000 0.000 0.436 86 R N 1.435 122.156 120.500 0.367 0.000 2.404 86 R HA 0.207 4.548 4.340 0.001 0.000 0.291 86 R C -0.018 176.481 176.300 0.332 0.000 1.025 86 R CA -0.716 55.547 56.100 0.271 0.000 0.991 86 R CB 0.632 31.029 30.300 0.161 0.000 1.053 86 R HN 0.669 8.939 8.270 -0.000 0.000 0.479 87 H N 5.153 124.213 119.070 -0.017 0.000 3.070 87 H HA -0.007 4.549 4.556 0.001 0.000 0.313 87 H C -1.667 173.639 175.328 -0.037 0.000 0.997 87 H CA -0.917 54.920 56.048 -0.352 0.000 1.438 87 H CB 1.328 30.574 29.762 -0.859 0.000 1.455 87 H HN 0.449 8.729 8.280 -0.000 0.000 0.575 88 P HA -0.106 4.314 4.420 -0.000 0.000 0.218 88 P C 0.999 178.308 177.300 0.014 0.000 1.146 88 P CA 1.722 64.768 63.100 -0.089 0.000 0.820 88 P CB 0.097 31.710 31.700 -0.145 0.000 0.778 89 G N -2.876 106.003 108.800 0.131 0.000 3.337 89 G HA2 -0.024 3.937 3.960 0.001 0.000 0.246 89 G HA3 -0.024 3.937 3.960 0.001 0.000 0.246 89 G C -0.315 174.720 174.900 0.224 0.000 1.131 89 G CA -0.148 45.085 45.100 0.221 0.000 0.773 89 G HN 0.180 8.470 8.290 -0.000 0.000 0.544 90 Y N 1.657 122.020 120.300 0.105 0.000 2.442 90 Y HA 0.430 4.981 4.550 0.002 0.000 0.330 90 Y C 1.230 177.128 175.900 -0.003 0.000 1.129 90 Y CA -0.288 57.831 58.100 0.033 0.000 1.365 90 Y CB 1.467 39.936 38.460 0.015 0.000 1.233 90 Y HN 0.017 8.297 8.280 -0.000 0.000 0.529 91 S N 3.109 118.355 115.700 -0.755 0.000 2.310 91 S HA 0.194 4.665 4.470 0.001 0.000 0.176 91 S C 0.845 174.823 174.600 -1.036 0.000 1.002 91 S CA 1.531 59.331 58.200 -0.668 0.000 1.105 91 S CB -0.098 62.888 63.200 -0.356 0.000 0.852 91 S HN 1.026 9.336 8.310 -0.000 0.000 0.475 92 T N -1.214 112.760 114.554 -0.966 0.000 5.841 92 T HA -0.106 4.245 4.350 0.001 0.000 0.273 92 T C 1.207 175.655 174.700 -0.420 0.000 2.197 92 T CA 0.519 62.215 62.100 -0.673 0.000 3.765 92 T CB -1.561 67.070 68.868 -0.395 0.000 0.557 92 T HN 0.304 8.544 8.240 -0.000 0.000 0.363 93 Q N 1.488 121.116 119.800 -0.286 0.000 1.946 93 Q HA 0.086 4.426 4.340 0.001 0.000 0.199 93 Q C 1.408 177.327 176.000 -0.135 0.000 0.979 93 Q CA 2.013 57.716 55.803 -0.167 0.000 0.834 93 Q CB -0.727 27.932 28.738 -0.131 0.000 0.899 93 Q HN 0.820 9.090 8.270 -0.000 0.000 0.431 94 T N -1.103 113.363 114.554 -0.146 0.000 2.874 94 T HA 0.249 4.600 4.350 0.001 0.000 0.281 94 T C 0.329 174.976 174.700 -0.089 0.000 0.994 94 T CA -0.510 61.530 62.100 -0.099 0.000 1.015 94 T CB 0.716 69.541 68.868 -0.072 0.000 1.028 94 T HN 0.221 8.461 8.240 -0.000 0.000 0.523 95 H N 0.124 119.084 119.070 -0.184 0.000 2.533 95 H HA 0.342 4.898 4.556 0.001 0.000 0.281 95 H C -0.150 175.280 175.328 0.170 0.000 1.238 95 H CA -0.487 55.574 56.048 0.021 0.000 1.024 95 H CB 0.108 29.873 29.762 0.005 0.000 1.604 95 H HN 0.313 8.593 8.280 -0.000 0.000 0.531 96 V N 1.843 121.850 119.914 0.155 0.000 2.655 96 V HA -0.115 4.005 4.120 0.001 0.000 0.300 96 V C 0.900 177.112 176.094 0.196 0.000 1.044 96 V CA -0.420 61.976 62.300 0.160 0.000 1.095 96 V CB 0.258 32.133 31.823 0.086 0.000 0.952 96 V HN 0.757 8.947 8.190 -0.000 0.000 0.485 97 N N 1.907 120.682 118.700 0.126 0.000 2.725 97 N HA -0.182 4.559 4.740 0.001 0.000 0.251 97 N C -0.041 175.408 175.510 -0.102 0.000 1.031 97 N CA 0.876 53.861 53.050 -0.110 0.000 0.720 97 N CB -0.820 37.598 38.487 -0.115 0.000 0.930 97 N HN 0.978 9.358 8.380 -0.000 0.000 0.543 98 D N 1.285 121.673 120.400 -0.020 0.000 2.551 98 D HA 0.327 4.968 4.640 0.001 0.000 0.223 98 D C 0.295 176.441 176.300 -0.257 0.000 1.144 98 D CA -0.159 53.804 54.000 -0.060 0.000 1.025 98 D CB -0.262 40.681 40.800 0.239 0.000 1.085 98 D HN 0.542 8.912 8.370 -0.000 0.000 0.506 99 L N -0.426 120.564 121.223 -0.388 0.000 2.465 99 L HA 0.699 5.039 4.340 0.001 0.000 0.257 99 L C -1.389 175.379 176.870 -0.169 0.000 0.988 99 L CA -1.064 53.594 54.840 -0.302 0.000 0.827 99 L CB 2.295 44.115 42.059 -0.397 0.000 1.397 99 L HN 0.064 8.294 8.230 -0.000 0.000 0.410 100 M N 2.919 122.516 119.600 -0.006 0.000 2.484 100 M HA 0.589 5.069 4.480 0.001 0.000 0.289 100 M C -2.235 174.197 176.300 0.219 0.000 1.206 100 M CA -0.546 54.843 55.300 0.148 0.000 0.892 100 M CB 2.616 35.227 32.600 0.019 0.000 1.712 100 M HN 0.774 9.064 8.290 -0.000 0.000 0.462 101 L N 3.580 125.001 121.223 0.330 0.000 2.325 101 L HA 0.736 5.077 4.340 0.001 0.000 0.278 101 L C -1.105 175.955 176.870 0.318 0.000 1.023 101 L CA -0.916 54.106 54.840 0.304 0.000 0.811 101 L CB 2.112 44.290 42.059 0.199 0.000 1.249 101 L HN 0.473 8.703 8.230 -0.000 0.000 0.431 102 V N 2.959 123.031 119.914 0.263 0.000 2.409 102 V HA 0.275 4.396 4.120 0.001 0.000 0.290 102 V C -0.098 175.958 176.094 -0.063 0.000 1.017 102 V CA -0.858 61.429 62.300 -0.022 0.000 0.841 102 V CB 1.574 33.200 31.823 -0.328 0.000 1.003 102 V HN 0.591 8.781 8.190 -0.000 0.000 0.426 103 K N 5.025 125.249 120.400 -0.293 0.000 2.312 103 K HA 0.508 4.829 4.320 0.001 0.000 0.287 103 K C -0.626 175.708 176.600 -0.443 0.000 1.062 103 K CA -0.446 55.362 56.287 -0.798 0.000 0.934 103 K CB 0.637 32.688 32.500 -0.748 0.000 1.027 103 K HN 0.581 8.831 8.250 -0.000 0.000 0.478 104 L N 4.315 125.277 121.223 -0.435 0.000 2.371 104 L HA 0.076 4.417 4.340 0.001 0.000 0.272 104 L C 1.407 178.154 176.870 -0.205 0.000 1.124 104 L CA -0.723 53.971 54.840 -0.244 0.000 0.816 104 L CB 0.682 42.628 42.059 -0.188 0.000 1.129 104 L HN 0.719 8.949 8.230 -0.000 0.000 0.448 105 N N 0.570 119.195 118.700 -0.125 0.000 2.084 105 N HA -0.096 4.645 4.740 0.001 0.000 0.190 105 N C 0.531 175.995 175.510 -0.077 0.000 1.030 105 N CA 1.023 54.019 53.050 -0.089 0.000 0.849 105 N CB 0.032 38.486 38.487 -0.055 0.000 1.012 105 N HN 0.740 9.120 8.380 -0.000 0.000 0.423 106 S N -0.820 114.837 115.700 -0.070 0.000 2.689 106 S HA 0.391 4.862 4.470 0.001 0.000 0.306 106 S C -0.225 174.336 174.600 -0.064 0.000 1.104 106 S CA -0.955 57.212 58.200 -0.056 0.000 0.973 106 S CB 2.329 65.506 63.200 -0.037 0.000 1.121 106 S HN 0.044 8.354 8.310 -0.000 0.000 0.523 107 Q N 0.141 119.913 119.800 -0.046 0.000 2.394 107 Q HA 0.503 4.844 4.340 0.001 0.000 0.248 107 Q C -0.146 175.836 176.000 -0.030 0.000 0.992 107 Q CA -0.292 55.487 55.803 -0.040 0.000 0.888 107 Q CB 0.899 29.626 28.738 -0.018 0.000 1.257 107 Q HN 0.879 9.149 8.270 -0.000 0.000 0.462 108 A N 2.488 125.295 122.820 -0.022 0.000 2.309 108 A HA 0.432 4.753 4.320 0.001 0.000 0.298 108 A C -0.745 176.837 177.584 -0.004 0.000 1.165 108 A CA -0.700 51.328 52.037 -0.014 0.000 0.821 108 A CB 0.516 19.512 19.000 -0.006 0.000 1.102 108 A HN 0.510 8.660 8.150 -0.000 0.000 0.500 109 R N 2.741 123.237 120.500 -0.007 0.000 2.230 109 R HA 0.306 4.647 4.340 0.001 0.000 0.337 109 R C -0.410 175.892 176.300 0.004 0.000 1.063 109 R CA -0.668 55.432 56.100 -0.001 0.000 0.935 109 R CB -0.400 29.897 30.300 -0.005 0.000 1.121 109 R HN 0.702 8.972 8.270 -0.000 0.000 0.486 110 L N 1.974 123.205 121.223 0.014 0.000 2.559 110 L HA -0.030 4.311 4.340 0.001 0.000 0.282 110 L C 1.014 177.893 176.870 0.014 0.000 1.232 110 L CA 0.778 55.631 54.840 0.021 0.000 0.885 110 L CB -0.064 42.014 42.059 0.031 0.000 1.131 110 L HN 0.807 9.037 8.230 -0.000 0.000 0.498 111 S N -0.180 115.528 115.700 0.013 0.000 2.973 111 S HA 0.278 4.749 4.470 0.001 0.000 0.317 111 S C 0.504 175.109 174.600 0.007 0.000 1.196 111 S CA -0.033 58.171 58.200 0.007 0.000 0.894 111 S CB 1.243 64.442 63.200 -0.001 0.000 1.292 111 S HN 0.560 8.870 8.310 -0.000 0.000 0.614 112 S N -0.216 115.485 115.700 0.001 0.000 2.562 112 S HA 0.182 4.652 4.470 0.001 0.000 0.221 112 S C 1.094 175.685 174.600 -0.015 0.000 0.975 112 S CA 0.147 58.345 58.200 -0.002 0.000 0.918 112 S CB -0.425 62.774 63.200 -0.002 0.000 0.772 112 S HN 0.515 8.825 8.310 -0.000 0.000 0.531 113 M N 1.220 120.810 119.600 -0.017 0.000 2.308 113 M HA 0.398 4.879 4.480 0.001 0.000 0.269 113 M C -0.506 175.775 176.300 -0.032 0.000 1.040 113 M CA 0.236 55.518 55.300 -0.030 0.000 1.024 113 M CB 0.926 33.513 32.600 -0.021 0.000 1.465 113 M HN 0.085 8.375 8.290 -0.000 0.000 0.517 114 V N 0.915 120.822 119.914 -0.011 0.000 2.482 114 V HA 0.466 4.587 4.120 0.001 0.000 0.295 114 V C -0.494 175.626 176.094 0.044 0.000 1.026 114 V CA -0.788 61.518 62.300 0.010 0.000 0.856 114 V CB 2.269 34.094 31.823 0.003 0.000 1.001 114 V HN 0.158 8.348 8.190 -0.000 0.000 0.424 115 K N 2.654 123.108 120.400 0.089 0.000 2.536 115 K HA 0.604 4.925 4.320 0.001 0.000 0.269 115 K C -1.056 175.670 176.600 0.211 0.000 0.965 115 K CA -1.102 55.271 56.287 0.143 0.000 0.860 115 K CB 2.870 35.473 32.500 0.173 0.000 1.423 115 K HN 0.469 8.719 8.250 -0.000 0.000 0.438 116 K N 1.167 121.668 120.400 0.169 0.000 2.326 116 K HA 0.150 4.470 4.320 0.001 0.000 0.275 116 K C -0.198 176.492 176.600 0.150 0.000 1.018 116 K CA -0.470 55.906 56.287 0.148 0.000 0.962 116 K CB 0.670 33.224 32.500 0.091 0.000 0.953 116 K HN 0.336 8.586 8.250 -0.000 0.000 0.475 117 V N 0.743 120.703 119.914 0.078 0.000 3.051 117 V HA 0.218 4.339 4.120 0.001 0.000 0.306 117 V C 0.383 176.387 176.094 -0.150 0.000 1.083 117 V CA -0.639 61.564 62.300 -0.162 0.000 1.104 117 V CB 0.820 32.491 31.823 -0.253 0.000 1.027 117 V HN 0.679 8.869 8.190 -0.000 0.000 0.483 118 R N 2.437 122.787 120.500 -0.250 0.000 2.205 118 R HA 0.473 4.814 4.340 0.001 0.000 0.342 118 R C -0.620 175.587 176.300 -0.155 0.000 1.058 118 R CA -0.508 55.493 56.100 -0.164 0.000 0.904 118 R CB 0.309 30.512 30.300 -0.161 0.000 1.089 118 R HN 0.792 9.062 8.270 -0.000 0.000 0.471 119 L N 6.674 127.841 121.223 -0.093 0.000 2.461 119 L HA 0.240 4.581 4.340 0.001 0.000 0.272 119 L C -1.560 175.276 176.870 -0.057 0.000 1.197 119 L CA -1.614 53.188 54.840 -0.064 0.000 0.836 119 L CB 0.483 42.525 42.059 -0.029 0.000 1.105 119 L HN 0.491 8.721 8.230 -0.000 0.000 0.477 120 P HA 0.122 4.542 4.420 -0.000 0.000 0.276 120 P C -0.270 177.016 177.300 -0.024 0.000 1.244 120 P CA -0.423 62.653 63.100 -0.040 0.000 0.801 120 P CB 1.663 33.343 31.700 -0.034 0.000 1.006 121 S N -0.091 115.594 115.700 -0.026 0.000 2.497 121 S HA 0.116 4.587 4.470 0.001 0.000 0.221 121 S C 0.824 175.414 174.600 -0.017 0.000 1.037 121 S CA 0.310 58.498 58.200 -0.019 0.000 0.920 121 S CB -0.056 63.132 63.200 -0.021 0.000 0.800 121 S HN 0.399 8.709 8.310 -0.000 0.000 0.505 122 R N 0.069 120.557 120.500 -0.021 0.000 2.744 122 R HA 0.471 4.812 4.340 0.001 0.000 0.279 122 R C -1.668 174.620 176.300 -0.021 0.000 0.977 122 R CA -0.454 55.634 56.100 -0.020 0.000 0.906 122 R CB 0.877 31.164 30.300 -0.022 0.000 1.197 122 R HN 0.079 8.349 8.270 -0.000 0.000 0.463 123 c N 3.774 122.363 118.600 -0.018 0.000 2.416 123 c HA 0.240 4.811 4.570 0.001 0.000 0.355 123 c C -0.069 174.009 174.090 -0.022 0.000 1.211 123 c CA -0.348 55.970 56.329 -0.017 0.000 1.699 123 c CB -0.713 41.789 42.510 -0.014 0.000 2.310 123 c HN 0.718 8.948 8.230 -0.000 0.000 0.539 124 E N 5.772 125.955 120.200 -0.029 0.000 2.529 124 E HA 0.091 4.442 4.350 0.001 0.000 0.259 124 E C -1.730 174.853 176.600 -0.028 0.000 0.966 124 E CA -0.595 55.785 56.400 -0.032 0.000 0.937 124 E CB 0.465 30.138 29.700 -0.045 0.000 0.923 124 E HN 0.470 8.830 8.360 -0.000 0.000 0.468 125 P HA 0.253 4.673 4.420 -0.000 0.000 0.276 125 P C -2.597 174.691 177.300 -0.020 0.000 1.252 125 P CA -1.630 61.459 63.100 -0.018 0.000 0.802 125 P CB -0.035 31.656 31.700 -0.015 0.000 1.035 126 P HA 0.080 4.500 4.420 -0.000 0.000 0.266 126 P C 1.051 178.342 177.300 -0.015 0.000 1.193 126 P CA 1.293 64.385 63.100 -0.014 0.000 0.770 126 P CB -0.124 31.573 31.700 -0.006 0.000 0.836 127 G N 0.750 109.540 108.800 -0.017 0.000 2.258 127 G HA2 -0.239 3.721 3.960 0.001 0.000 0.233 127 G HA3 -0.239 3.721 3.960 0.001 0.000 0.233 127 G C 0.469 175.357 174.900 -0.020 0.000 1.006 127 G CA 0.244 45.334 45.100 -0.016 0.000 0.620 127 G HN 0.856 9.146 8.290 -0.000 0.000 0.511 128 T N 1.649 116.187 114.554 -0.026 0.000 2.916 128 T HA 0.467 4.818 4.350 0.001 0.000 0.303 128 T C 0.757 175.436 174.700 -0.034 0.000 1.025 128 T CA 1.154 63.237 62.100 -0.029 0.000 1.142 128 T CB 0.514 69.362 68.868 -0.033 0.000 0.947 128 T HN 0.416 8.656 8.240 -0.000 0.000 0.544 129 T N 5.343 119.881 114.554 -0.027 0.000 2.901 129 T HA 0.433 4.784 4.350 0.001 0.000 0.301 129 T C 0.036 174.716 174.700 -0.033 0.000 1.012 129 T CA -0.505 61.581 62.100 -0.024 0.000 1.135 129 T CB -0.181 68.679 68.868 -0.013 0.000 0.936 129 T HN 0.855 9.095 8.240 -0.000 0.000 0.539 130 c N 1.765 120.342 118.600 -0.038 0.000 3.213 130 c HA 0.793 5.364 4.570 0.001 0.000 0.319 130 c C 0.092 174.172 174.090 -0.017 0.000 1.386 130 c CA -0.866 55.435 56.329 -0.046 0.000 1.494 130 c CB 2.204 44.653 42.510 -0.101 0.000 1.905 130 c HN 0.824 9.054 8.230 -0.000 0.000 0.456 131 T N 1.028 115.584 114.554 0.004 0.000 2.881 131 T HA 0.550 4.901 4.350 0.001 0.000 0.291 131 T C -0.901 173.849 174.700 0.083 0.000 0.990 131 T CA -0.238 61.898 62.100 0.059 0.000 0.976 131 T CB 1.511 70.448 68.868 0.116 0.000 0.970 131 T HN 0.619 8.859 8.240 -0.000 0.000 0.438 132 V N 3.624 123.585 119.914 0.078 0.000 2.630 132 V HA 0.927 5.048 4.120 0.001 0.000 0.305 132 V C -0.605 175.534 176.094 0.073 0.000 1.046 132 V CA -0.268 62.095 62.300 0.105 0.000 0.934 132 V CB 1.821 33.733 31.823 0.149 0.000 1.003 132 V HN 1.102 9.292 8.190 -0.000 0.000 0.451 133 S N 3.658 119.387 115.700 0.049 0.000 2.579 133 S HA 1.023 5.494 4.470 0.001 0.000 0.272 133 S C -0.419 174.088 174.600 -0.155 0.000 1.141 133 S CA -0.111 58.017 58.200 -0.119 0.000 0.843 133 S CB 1.717 64.747 63.200 -0.284 0.000 1.122 133 S HN 1.994 10.304 8.310 -0.000 0.000 0.468 134 G N -0.139 108.471 108.800 -0.316 0.000 2.315 134 G HA2 0.384 4.345 3.960 0.001 0.000 0.294 134 G HA3 0.384 4.345 3.960 0.001 0.000 0.294 134 G C -1.513 173.207 174.900 -0.300 0.000 1.300 134 G CA -0.721 44.208 45.100 -0.284 0.000 0.843 134 G HN 0.646 8.936 8.290 -0.000 0.000 0.527 135 W N 1.139 122.468 121.300 0.048 0.000 2.818 135 W HA 0.407 5.067 4.660 0.001 0.000 0.403 135 W C 1.061 177.671 176.519 0.153 0.000 0.991 135 W CA -0.186 57.196 57.345 0.061 0.000 1.925 135 W CB 0.917 30.380 29.460 0.005 0.000 1.166 135 W HN 0.830 9.010 8.180 -0.000 0.000 0.605 136 G N 0.827 109.822 108.800 0.325 0.000 2.684 136 G HA2 0.129 4.090 3.960 0.001 0.000 0.255 136 G HA3 0.129 4.090 3.960 0.001 0.000 0.255 136 G C 0.243 175.362 174.900 0.365 0.000 1.219 136 G CA -0.064 45.270 45.100 0.390 0.000 0.901 136 G HN -0.111 8.179 8.290 -0.000 0.000 0.548 137 T N -1.769 112.939 114.554 0.256 0.000 2.939 137 T HA 0.180 4.531 4.350 0.001 0.000 0.319 137 T C 1.716 176.403 174.700 -0.022 0.000 1.082 137 T CA 0.991 63.005 62.100 -0.143 0.000 1.133 137 T CB 0.315 68.960 68.868 -0.371 0.000 1.019 137 T HN 0.768 9.008 8.240 -0.000 0.000 0.548 138 T N 0.197 114.718 114.554 -0.054 0.000 3.054 138 T HA 0.292 4.643 4.350 0.001 0.000 0.255 138 T C 0.465 175.148 174.700 -0.030 0.000 1.035 138 T CA -0.014 62.076 62.100 -0.016 0.000 0.941 138 T CB -0.001 68.865 68.868 -0.003 0.000 1.026 138 T HN 0.718 8.958 8.240 -0.000 0.000 0.533 139 T N -0.148 114.371 114.554 -0.058 0.000 2.906 139 T HA 0.739 5.089 4.350 0.001 0.000 0.295 139 T C -1.016 173.659 174.700 -0.041 0.000 1.075 139 T CA -0.825 61.247 62.100 -0.046 0.000 1.005 139 T CB 2.131 70.969 68.868 -0.052 0.000 1.136 139 T HN 0.047 8.287 8.240 -0.000 0.000 0.498 140 S N 0.970 116.654 115.700 -0.027 0.000 2.543 140 S HA 0.570 5.041 4.470 0.001 0.000 0.271 140 S C -2.171 172.393 174.600 -0.059 0.000 1.148 140 S CA -1.181 57.010 58.200 -0.015 0.000 0.914 140 S CB 1.657 64.868 63.200 0.017 0.000 1.096 140 S HN 0.644 8.954 8.310 -0.000 0.000 0.471 141 P HA 0.172 4.592 4.420 -0.000 0.000 0.245 141 P C -0.359 176.966 177.300 0.041 0.000 1.212 141 P CA 0.132 63.207 63.100 -0.041 0.000 0.774 141 P CB -0.125 31.468 31.700 -0.179 0.000 0.999 142 D N 1.023 121.416 120.400 -0.012 0.000 2.352 142 D HA 0.073 4.713 4.640 0.001 0.000 0.245 142 D C -0.214 176.043 176.300 -0.071 0.000 1.224 142 D CA -0.329 53.657 54.000 -0.024 0.000 0.879 142 D CB 0.617 41.398 40.800 -0.031 0.000 1.057 142 D HN -0.170 8.200 8.370 -0.000 0.000 0.491 143 V N 4.205 124.061 119.914 -0.098 0.000 2.599 143 V HA 0.322 4.443 4.120 0.001 0.000 0.300 143 V C -0.483 175.436 176.094 -0.292 0.000 1.034 143 V CA 0.504 62.645 62.300 -0.266 0.000 1.115 143 V CB 0.558 32.218 31.823 -0.271 0.000 0.934 143 V HN 0.685 8.875 8.190 -0.000 0.000 0.485 144 T N 6.179 120.476 114.554 -0.428 0.000 3.355 144 T HA 0.413 4.764 4.350 0.001 0.000 0.324 144 T C -0.895 173.617 174.700 -0.313 0.000 0.932 144 T CA -0.154 61.778 62.100 -0.281 0.000 1.032 144 T CB 0.313 69.111 68.868 -0.117 0.000 1.027 144 T HN 0.449 8.689 8.240 -0.000 0.000 0.456 145 F N 4.532 124.511 119.950 0.049 0.000 2.424 145 F HA 0.458 4.986 4.527 0.001 0.000 0.356 145 F C -1.343 174.497 175.800 0.067 0.000 1.110 145 F CA -1.757 56.280 58.000 0.062 0.000 1.161 145 F CB 1.020 40.052 39.000 0.053 0.000 1.115 145 F HN 0.326 8.626 8.300 -0.000 0.000 0.507 146 P HA 0.214 4.634 4.420 -0.000 0.000 0.281 146 P C -0.279 177.169 177.300 0.246 0.000 1.249 146 P CA -0.440 62.787 63.100 0.213 0.000 0.810 146 P CB 1.749 33.559 31.700 0.183 0.000 1.008 147 S N -0.503 115.304 115.700 0.179 0.000 2.478 147 S HA 0.038 4.509 4.470 0.001 0.000 0.222 147 S C 0.363 175.122 174.600 0.264 0.000 1.008 147 S CA 0.454 58.743 58.200 0.148 0.000 0.928 147 S CB -0.111 63.134 63.200 0.075 0.000 0.781 147 S HN 0.541 8.851 8.310 -0.000 0.000 0.518 148 D N 1.493 122.043 120.400 0.249 0.000 2.175 148 D HA 0.329 4.970 4.640 0.001 0.000 0.248 148 D C -0.333 176.048 176.300 0.134 0.000 1.047 148 D CA -0.542 53.592 54.000 0.223 0.000 0.883 148 D CB 1.091 41.949 40.800 0.096 0.000 1.180 148 D HN 0.025 8.395 8.370 -0.000 0.000 0.438 149 L N 2.108 123.300 121.223 -0.052 0.000 2.525 149 L HA 0.117 4.458 4.340 0.001 0.000 0.278 149 L C -0.399 176.229 176.870 -0.403 0.000 1.218 149 L CA 0.494 54.923 54.840 -0.686 0.000 0.878 149 L CB 0.241 41.839 42.059 -0.769 0.000 1.127 149 L HN 0.332 8.562 8.230 -0.000 0.000 0.492 150 M N 4.409 123.758 119.600 -0.418 0.000 2.664 150 M HA 0.539 5.020 4.480 0.001 0.000 0.314 150 M C -1.324 174.833 176.300 -0.238 0.000 1.200 150 M CA -0.062 55.103 55.300 -0.226 0.000 0.916 150 M CB 1.805 34.336 32.600 -0.116 0.000 1.717 150 M HN 0.679 8.969 8.290 -0.000 0.000 0.470 151 c N 1.395 119.910 118.600 -0.142 0.000 2.782 151 c HA 0.905 5.476 4.570 0.001 0.000 0.328 151 c C -1.348 172.722 174.090 -0.033 0.000 1.145 151 c CA -0.722 55.544 56.329 -0.105 0.000 1.358 151 c CB 1.565 44.016 42.510 -0.098 0.000 1.841 151 c HN 0.725 8.955 8.230 -0.000 0.000 0.477 152 V N 3.588 123.501 119.914 -0.002 0.000 3.087 152 V HA 0.581 4.701 4.120 0.001 0.000 0.306 152 V C -1.460 174.651 176.094 0.029 0.000 1.187 152 V CA -0.310 61.999 62.300 0.015 0.000 0.999 152 V CB 2.525 34.359 31.823 0.018 0.000 1.049 152 V HN 0.918 9.108 8.190 -0.000 0.000 0.431 153 D N 2.081 122.495 120.400 0.023 0.000 2.193 153 D HA 0.758 5.399 4.640 0.001 0.000 0.249 153 D C -0.943 175.365 176.300 0.013 0.000 1.034 153 D CA 0.173 54.185 54.000 0.019 0.000 0.902 153 D CB 2.017 42.826 40.800 0.016 0.000 1.182 153 D HN 0.378 8.748 8.370 -0.000 0.000 0.436 154 V N 1.905 121.820 119.914 0.001 0.000 3.023 154 V HA 0.205 4.326 4.120 0.001 0.000 0.294 154 V C -1.165 174.914 176.094 -0.025 0.000 1.324 154 V CA -0.883 61.415 62.300 -0.003 0.000 0.979 154 V CB 2.486 34.313 31.823 0.007 0.000 1.093 154 V HN 0.349 8.539 8.190 -0.000 0.000 0.434 155 K N 4.336 124.725 120.400 -0.018 0.000 2.130 155 K HA 0.588 4.908 4.320 0.001 0.000 0.268 155 K C -0.613 175.965 176.600 -0.036 0.000 0.983 155 K CA -0.492 55.779 56.287 -0.026 0.000 0.893 155 K CB 1.923 34.414 32.500 -0.014 0.000 1.066 155 K HN 0.536 8.786 8.250 -0.000 0.000 0.450 156 L N 3.646 124.841 121.223 -0.048 0.000 2.416 156 L HA 0.248 4.589 4.340 0.001 0.000 0.272 156 L C 0.317 177.175 176.870 -0.019 0.000 1.161 156 L CA -0.032 54.779 54.840 -0.048 0.000 0.845 156 L CB 0.163 42.189 42.059 -0.055 0.000 1.119 156 L HN 0.372 8.602 8.230 -0.000 0.000 0.464 157 I N 2.034 122.602 120.570 -0.005 0.000 2.433 157 I HA 0.187 4.358 4.170 0.001 0.000 0.292 157 I C 0.382 176.508 176.117 0.015 0.000 1.001 157 I CA -0.558 60.747 61.300 0.008 0.000 1.119 157 I CB 2.021 40.034 38.000 0.021 0.000 1.289 157 I HN 0.627 8.837 8.210 -0.000 0.000 0.438 158 S N 5.454 121.162 115.700 0.012 0.000 2.558 158 S HA 0.141 4.611 4.470 0.001 0.000 0.288 158 S C -1.830 172.786 174.600 0.028 0.000 1.318 158 S CA -0.764 57.446 58.200 0.015 0.000 1.056 158 S CB 0.615 63.822 63.200 0.011 0.000 0.853 158 S HN 0.425 8.735 8.310 -0.000 0.000 0.505 159 P HA -0.187 4.233 4.420 -0.000 0.000 0.216 159 P C 1.700 179.028 177.300 0.047 0.000 1.154 159 P CA 1.274 64.402 63.100 0.047 0.000 0.865 159 P CB 0.001 31.726 31.700 0.041 0.000 0.789 160 Q N -0.640 119.180 119.800 0.033 0.000 2.124 160 Q HA -0.187 4.154 4.340 0.001 0.000 0.202 160 Q C 1.509 177.523 176.000 0.025 0.000 0.977 160 Q CA 1.572 57.392 55.803 0.028 0.000 0.850 160 Q CB -0.380 28.369 28.738 0.019 0.000 0.901 160 Q HN 0.231 8.501 8.270 -0.000 0.000 0.429 161 D N -0.384 120.028 120.400 0.021 0.000 2.103 161 D HA -0.128 4.513 4.640 0.001 0.000 0.199 161 D C 1.903 178.213 176.300 0.017 0.000 0.978 161 D CA 0.775 54.782 54.000 0.013 0.000 0.829 161 D CB -0.607 40.198 40.800 0.008 0.000 0.981 161 D HN 0.250 8.620 8.370 -0.000 0.000 0.464 162 c N 0.382 119.007 118.600 0.041 0.000 2.425 162 c HA -0.120 4.451 4.570 0.001 0.000 0.277 162 c C 2.837 176.987 174.090 0.099 0.000 1.280 162 c CA 1.538 57.913 56.329 0.076 0.000 1.744 162 c CB -1.057 41.524 42.510 0.117 0.000 1.989 162 c HN 0.304 8.534 8.230 -0.000 0.000 0.491 163 T N 0.256 114.864 114.554 0.090 0.000 2.833 163 T HA -0.130 4.221 4.350 0.001 0.000 0.269 163 T C 2.077 176.818 174.700 0.069 0.000 1.054 163 T CA 2.398 64.559 62.100 0.102 0.000 1.135 163 T CB -0.319 68.595 68.868 0.077 0.000 0.869 163 T HN 0.751 8.991 8.240 -0.000 0.000 0.466 164 K N 0.407 120.823 120.400 0.026 0.000 2.360 164 K HA 0.034 4.354 4.320 0.001 0.000 0.201 164 K C 2.108 178.684 176.600 -0.040 0.000 1.046 164 K CA 1.530 57.816 56.287 -0.002 0.000 0.945 164 K CB -0.866 31.626 32.500 -0.013 0.000 0.750 164 K HN 0.478 8.728 8.250 -0.000 0.000 0.464 165 V N -1.977 117.881 119.914 -0.093 0.000 2.949 165 V HA 0.130 4.251 4.120 0.001 0.000 0.245 165 V C 0.899 176.878 176.094 -0.191 0.000 1.086 165 V CA 0.526 62.662 62.300 -0.274 0.000 1.097 165 V CB -0.178 31.259 31.823 -0.643 0.000 0.762 165 V HN 0.608 8.798 8.190 -0.000 0.000 0.470 166 Y N 0.077 120.429 120.300 0.087 0.000 2.738 166 Y HA 0.358 4.909 4.550 0.001 0.000 0.249 166 Y C 1.461 177.437 175.900 0.125 0.000 1.153 166 Y CA -1.528 56.658 58.100 0.144 0.000 1.165 166 Y CB -0.321 38.260 38.460 0.201 0.000 1.235 166 Y HN 0.146 8.426 8.280 -0.000 0.000 0.559 167 K N -0.007 120.519 120.400 0.209 0.000 2.589 167 K HA -0.364 3.957 4.320 0.001 0.000 0.215 167 K C 1.019 177.699 176.600 0.134 0.000 0.669 167 K CA 2.017 58.386 56.287 0.136 0.000 0.850 167 K CB -0.756 31.796 32.500 0.087 0.000 0.275 167 K HN 0.114 8.364 8.250 -0.000 0.000 1.053 168 D N 0.806 121.264 120.400 0.097 0.000 2.370 168 D HA -0.223 4.418 4.640 0.001 0.000 0.190 168 D C 1.981 178.337 176.300 0.093 0.000 1.019 168 D CA 2.035 56.081 54.000 0.077 0.000 0.869 168 D CB -0.569 40.260 40.800 0.050 0.000 0.944 168 D HN 0.307 8.677 8.370 -0.000 0.000 0.456 169 L N -0.065 121.225 121.223 0.112 0.000 2.189 169 L HA -0.129 4.212 4.340 0.001 0.000 0.214 169 L C 1.119 178.094 176.870 0.176 0.000 1.097 169 L CA 0.339 55.230 54.840 0.085 0.000 0.764 169 L CB -0.421 41.657 42.059 0.032 0.000 0.900 169 L HN 0.031 8.261 8.230 -0.000 0.000 0.436 170 L N 0.271 121.623 121.223 0.216 0.000 2.397 170 L HA 0.180 4.521 4.340 0.001 0.000 0.271 170 L C 0.291 177.249 176.870 0.147 0.000 1.148 170 L CA -0.106 54.860 54.840 0.211 0.000 0.825 170 L CB 0.578 42.750 42.059 0.189 0.000 1.117 170 L HN 0.058 8.288 8.230 -0.000 0.000 0.456 171 E N 1.128 121.415 120.200 0.145 0.000 2.320 171 E HA 0.158 4.508 4.350 0.001 0.000 0.264 171 E C 0.237 176.893 176.600 0.093 0.000 0.923 171 E CA -0.625 55.839 56.400 0.107 0.000 0.796 171 E CB 1.164 30.930 29.700 0.110 0.000 1.262 171 E HN 0.553 8.913 8.360 -0.000 0.000 0.428 172 N N -0.621 118.118 118.700 0.064 0.000 2.443 172 N HA -0.158 4.583 4.740 0.001 0.000 0.184 172 N C 0.935 176.473 175.510 0.046 0.000 1.037 172 N CA 1.113 54.189 53.050 0.044 0.000 0.896 172 N CB -0.202 38.296 38.487 0.018 0.000 0.959 172 N HN 0.238 8.618 8.380 -0.000 0.000 0.442 173 S N -1.703 114.042 115.700 0.075 0.000 2.577 173 S HA 0.311 4.782 4.470 0.001 0.000 0.219 173 S C 0.441 175.159 174.600 0.197 0.000 0.962 173 S CA -0.652 57.621 58.200 0.122 0.000 0.921 173 S CB -0.223 63.064 63.200 0.145 0.000 0.789 173 S HN 0.137 8.447 8.310 -0.000 0.000 0.497 174 M N 1.484 121.173 119.600 0.149 0.000 2.478 174 M HA 0.603 5.084 4.480 0.001 0.000 0.327 174 M C -1.009 175.348 176.300 0.096 0.000 1.187 174 M CA -0.847 54.533 55.300 0.133 0.000 1.022 174 M CB 1.691 34.373 32.600 0.138 0.000 1.629 174 M HN 0.220 8.510 8.290 -0.000 0.000 0.461 175 L N 1.325 122.605 121.223 0.094 0.000 2.408 175 L HA 0.621 4.962 4.340 0.001 0.000 0.268 175 L C -1.651 175.287 176.870 0.113 0.000 0.986 175 L CA -0.180 54.710 54.840 0.084 0.000 0.820 175 L CB 1.913 44.014 42.059 0.071 0.000 1.303 175 L HN 0.805 9.035 8.230 -0.000 0.000 0.411 176 c N 3.446 122.094 118.600 0.080 0.000 2.411 176 c HA 0.998 5.568 4.570 0.001 0.000 0.330 176 c C 0.079 174.221 174.090 0.087 0.000 1.224 176 c CA -0.417 55.976 56.329 0.107 0.000 1.770 176 c CB 0.713 43.271 42.510 0.079 0.000 2.297 176 c HN 1.000 9.230 8.230 -0.000 0.000 0.507 177 A N 1.867 124.777 122.820 0.150 0.000 2.549 177 A HA 1.017 5.338 4.320 0.001 0.000 0.297 177 A C -0.408 177.238 177.584 0.104 0.000 1.061 177 A CA 0.263 52.334 52.037 0.056 0.000 0.690 177 A CB 1.526 20.451 19.000 -0.125 0.000 1.287 177 A HN 1.758 9.908 8.150 -0.000 0.000 0.402 178 G N -0.432 108.397 108.800 0.048 0.000 2.321 178 G HA2 0.522 4.483 3.960 0.001 0.000 0.296 178 G HA3 0.522 4.483 3.960 0.001 0.000 0.296 178 G C -1.983 172.930 174.900 0.022 0.000 1.287 178 G CA -0.436 44.691 45.100 0.047 0.000 0.846 178 G HN 0.904 9.194 8.290 -0.000 0.000 0.508 179 I N 1.645 122.226 120.570 0.018 0.000 2.545 179 I HA 0.425 4.596 4.170 0.001 0.000 0.292 179 I C -1.354 174.765 176.117 0.004 0.000 1.040 179 I CA -1.975 59.331 61.300 0.009 0.000 1.068 179 I CB 2.903 40.908 38.000 0.008 0.000 1.251 179 I HN 0.383 8.593 8.210 -0.000 0.000 0.424 180 P HA -0.328 4.092 4.420 -0.000 0.000 0.232 180 P C 0.219 177.514 177.300 -0.009 0.000 0.768 180 P CA 2.139 65.236 63.100 -0.005 0.000 1.075 180 P CB 0.086 31.783 31.700 -0.005 0.000 0.715 181 D N -6.018 114.377 120.400 -0.009 0.000 1.702 181 D HA -0.112 4.528 4.640 0.001 0.000 0.239 181 D C 0.536 176.834 176.300 -0.004 0.000 0.991 181 D CA 1.249 55.245 54.000 -0.007 0.000 1.282 181 D CB -1.523 39.273 40.800 -0.006 0.000 1.442 181 D HN 0.258 8.628 8.370 -0.000 0.000 0.729 182 S N -0.948 114.752 115.700 0.000 0.000 3.486 182 S HA -0.214 4.257 4.470 0.001 0.000 0.632 182 S C -0.512 174.091 174.600 0.005 0.000 2.553 182 S CA 1.240 59.443 58.200 0.005 0.000 2.974 182 S CB -0.342 62.860 63.200 0.003 0.000 0.320 182 S HN 0.576 8.886 8.310 -0.000 0.000 1.613 183 K N 1.507 121.910 120.400 0.006 0.000 3.157 183 K HA 0.408 4.729 4.320 0.001 0.000 0.173 183 K C -1.143 175.464 176.600 0.011 0.000 1.127 183 K CA -0.318 55.973 56.287 0.007 0.000 0.849 183 K CB 0.005 32.505 32.500 -0.000 0.000 1.038 183 K HN 0.633 8.883 8.250 -0.000 0.000 0.603 184 K N 1.911 122.323 120.400 0.019 0.000 1.676 184 K HA -0.041 4.280 4.320 0.001 0.000 0.491 184 K C -1.524 175.100 176.600 0.039 0.000 1.123 184 K CA 0.457 56.759 56.287 0.024 0.000 0.475 184 K CB -1.050 31.461 32.500 0.018 0.000 2.869 184 K HN 1.044 9.294 8.250 -0.000 0.000 0.516 185 N N -1.757 116.970 118.700 0.045 0.000 3.505 185 N HA 0.459 5.200 4.740 0.001 0.000 0.349 185 N C -0.706 174.840 175.510 0.060 0.000 1.491 185 N CA -0.853 52.238 53.050 0.068 0.000 0.859 185 N CB 0.546 39.083 38.487 0.082 0.000 2.068 185 N HN 0.028 8.408 8.380 -0.000 0.000 0.500 186 A N -0.316 122.541 122.820 0.063 0.000 2.296 186 A HA 0.674 4.995 4.320 0.001 0.000 0.264 186 A C -0.066 177.544 177.584 0.043 0.000 1.097 186 A CA -0.196 51.870 52.037 0.048 0.000 0.811 186 A CB 0.379 19.395 19.000 0.026 0.000 1.072 186 A HN 0.738 8.888 8.150 -0.000 0.000 0.495 187 c N -0.741 117.898 118.600 0.065 0.000 3.292 187 c HA 0.412 4.983 4.570 0.001 0.000 0.369 187 c C -0.217 173.943 174.090 0.117 0.000 1.664 187 c CA -0.958 55.423 56.329 0.087 0.000 1.204 187 c CB 0.456 43.017 42.510 0.085 0.000 1.978 187 c HN 0.951 9.181 8.230 -0.000 0.000 0.435 188 N N 0.556 119.340 118.700 0.139 0.000 2.292 188 N HA 0.252 4.993 4.740 0.001 0.000 0.258 188 N C 1.014 176.676 175.510 0.253 0.000 1.261 188 N CA 1.837 54.990 53.050 0.172 0.000 0.845 188 N CB 0.386 38.984 38.487 0.185 0.000 1.064 188 N HN 1.264 9.644 8.380 -0.000 0.000 0.471 189 G N 2.444 111.349 108.800 0.176 0.000 2.225 189 G HA2 -0.247 3.714 3.960 0.001 0.000 0.254 189 G HA3 -0.247 3.714 3.960 0.001 0.000 0.254 189 G C 0.543 175.535 174.900 0.154 0.000 0.988 189 G CA 0.108 45.294 45.100 0.144 0.000 0.625 189 G HN 0.618 8.908 8.290 -0.000 0.000 0.527 190 D N 0.920 121.411 120.400 0.151 0.000 2.333 190 D HA 0.155 4.796 4.640 0.001 0.000 0.208 190 D C 1.376 177.741 176.300 0.108 0.000 0.984 190 D CA 0.729 54.807 54.000 0.129 0.000 0.873 190 D CB 0.013 40.874 40.800 0.102 0.000 0.935 190 D HN 0.373 8.743 8.370 -0.000 0.000 0.521 191 S N -0.244 115.519 115.700 0.104 0.000 2.642 191 S HA 0.233 4.704 4.470 0.001 0.000 0.308 191 S C 1.543 176.171 174.600 0.046 0.000 1.255 191 S CA 0.880 59.143 58.200 0.106 0.000 1.057 191 S CB 0.635 63.958 63.200 0.206 0.000 0.785 191 S HN 0.490 8.800 8.310 -0.000 0.000 0.500 192 G N 2.365 111.189 108.800 0.040 0.000 2.176 192 G HA2 -0.182 3.779 3.960 0.001 0.000 0.253 192 G HA3 -0.182 3.779 3.960 0.001 0.000 0.253 192 G C 0.375 175.329 174.900 0.091 0.000 0.979 192 G CA -0.128 44.990 45.100 0.030 0.000 0.641 192 G HN 1.139 9.429 8.290 -0.000 0.000 0.530 193 G N 0.745 109.616 108.800 0.118 0.000 2.539 193 G HA2 0.610 4.571 3.960 0.001 0.000 0.258 193 G HA3 0.610 4.571 3.960 0.001 0.000 0.258 193 G C -1.434 173.567 174.900 0.169 0.000 1.202 193 G CA -0.318 44.871 45.100 0.147 0.000 0.851 193 G HN 0.298 8.588 8.290 -0.000 0.000 0.556 194 P HA 0.243 4.663 4.420 -0.000 0.000 0.272 194 P C -0.590 176.798 177.300 0.147 0.000 1.240 194 P CA -0.273 62.929 63.100 0.170 0.000 0.791 194 P CB 1.448 33.308 31.700 0.267 0.000 0.978 195 L N 1.891 123.147 121.223 0.055 0.000 3.630 195 L HA 0.091 4.432 4.340 0.001 0.000 0.241 195 L C -1.248 175.565 176.870 -0.095 0.000 0.991 195 L CA -0.206 54.608 54.840 -0.044 0.000 1.324 195 L CB -0.064 41.876 42.059 -0.198 0.000 1.874 195 L HN 0.305 8.535 8.230 -0.000 0.000 0.683 196 V N 3.429 123.281 119.914 -0.105 0.000 4.432 196 V HA -0.177 3.944 4.120 0.001 0.000 0.396 196 V C -0.019 176.030 176.094 -0.076 0.000 0.608 196 V CA 0.655 62.898 62.300 -0.094 0.000 1.685 196 V CB -1.923 29.877 31.823 -0.037 0.000 2.074 196 V HN 0.847 9.037 8.190 -0.000 0.000 0.495 197 c N 4.619 123.162 118.600 -0.093 0.000 2.482 197 c HA 0.714 5.285 4.570 0.001 0.000 0.317 197 c C 0.977 175.025 174.090 -0.070 0.000 1.197 197 c CA -1.125 55.161 56.329 -0.073 0.000 1.432 197 c CB 1.785 44.249 42.510 -0.078 0.000 2.062 197 c HN 1.047 9.277 8.230 -0.000 0.000 0.471 198 R N 2.034 122.504 120.500 -0.049 0.000 1.830 198 R HA 0.006 4.347 4.340 0.001 0.000 0.199 198 R C 0.799 177.062 176.300 -0.061 0.000 0.627 198 R CA 0.884 56.958 56.100 -0.043 0.000 0.432 198 R CB -1.831 28.448 30.300 -0.034 0.000 1.536 198 R HN 1.398 9.668 8.270 -0.000 0.000 0.561 199 G N -1.454 107.296 108.800 -0.084 0.000 2.467 199 G HA2 0.147 4.107 3.960 0.001 0.000 0.103 199 G HA3 0.147 4.107 3.960 0.001 0.000 0.103 199 G C -0.239 174.546 174.900 -0.192 0.000 1.456 199 G CA 0.043 45.076 45.100 -0.111 0.000 1.071 199 G HN 0.619 8.909 8.290 -0.000 0.000 0.307 200 T N -0.279 114.117 114.554 -0.262 0.000 3.488 200 T HA 0.163 4.514 4.350 0.001 0.000 0.379 200 T C -1.819 172.758 174.700 -0.205 0.000 0.898 200 T CA -0.081 61.900 62.100 -0.199 0.000 1.017 200 T CB -0.065 68.730 68.868 -0.122 0.000 1.353 200 T HN 1.346 9.586 8.240 -0.000 0.000 0.431 201 L N 5.548 126.647 121.223 -0.206 0.000 2.295 201 L HA 0.503 4.844 4.340 0.001 0.000 0.288 201 L C 1.289 178.104 176.870 -0.092 0.000 1.079 201 L CA 0.318 55.057 54.840 -0.168 0.000 0.830 201 L CB 0.891 42.848 42.059 -0.169 0.000 1.200 201 L HN 0.613 8.843 8.230 -0.000 0.000 0.438 202 Q N 3.765 123.511 119.800 -0.089 0.000 2.376 202 Q HA 0.405 4.746 4.340 0.001 0.000 0.206 202 Q C 0.549 176.528 176.000 -0.034 0.000 0.921 202 Q CA 0.713 56.477 55.803 -0.065 0.000 0.911 202 Q CB 0.950 29.632 28.738 -0.093 0.000 1.032 202 Q HN 0.824 9.094 8.270 -0.000 0.000 0.510 203 G N -0.396 108.383 108.800 -0.035 0.000 2.623 203 G HA2 0.595 4.555 3.960 0.001 0.000 0.290 203 G HA3 0.595 4.555 3.960 0.001 0.000 0.290 203 G C -1.766 173.206 174.900 0.121 0.000 1.437 203 G CA -0.726 44.401 45.100 0.045 0.000 0.798 203 G HN 0.018 8.308 8.290 -0.000 0.000 0.488 204 L N 0.766 122.106 121.223 0.195 0.000 2.365 204 L HA 0.605 4.946 4.340 0.001 0.000 0.273 204 L C 0.583 177.593 176.870 0.234 0.000 1.000 204 L CA -1.325 53.627 54.840 0.186 0.000 0.819 204 L CB 2.027 44.131 42.059 0.074 0.000 1.284 204 L HN 0.513 8.743 8.230 -0.000 0.000 0.418 205 V N 1.477 121.495 119.914 0.172 0.000 2.540 205 V HA 0.067 4.188 4.120 0.001 0.000 0.297 205 V C 0.669 176.724 176.094 -0.066 0.000 1.024 205 V CA 1.271 63.480 62.300 -0.152 0.000 1.105 205 V CB 1.408 33.165 31.823 -0.108 0.000 0.938 205 V HN 0.975 9.165 8.190 -0.000 0.000 0.482 206 S N 5.534 121.126 115.700 -0.180 0.000 2.979 206 S HA 0.445 4.916 4.470 0.001 0.000 0.243 206 S C -0.048 174.636 174.600 0.139 0.000 1.036 206 S CA 0.252 58.517 58.200 0.108 0.000 0.846 206 S CB 0.325 63.606 63.200 0.136 0.000 0.806 206 S HN 1.078 9.388 8.310 -0.000 0.000 0.568 207 W N -0.392 120.752 121.300 -0.260 0.000 3.059 207 W HA 0.639 5.300 4.660 0.001 0.000 0.329 207 W C -0.350 175.999 176.519 -0.284 0.000 1.246 207 W CA -0.569 56.588 57.345 -0.314 0.000 1.190 207 W CB 0.239 29.407 29.460 -0.488 0.000 1.423 207 W HN 0.370 8.550 8.180 -0.000 0.000 0.571 208 G N 0.564 109.393 108.800 0.049 0.000 2.772 208 G HA2 0.573 4.533 3.960 0.001 0.000 0.284 208 G HA3 0.573 4.533 3.960 0.001 0.000 0.284 208 G C -0.898 174.120 174.900 0.197 0.000 1.217 208 G CA -0.024 45.072 45.100 -0.006 0.000 0.831 208 G HN 0.782 9.072 8.290 -0.000 0.000 0.523 209 T N -2.120 112.547 114.554 0.190 0.000 2.927 209 T HA 0.687 5.037 4.350 0.001 0.000 0.281 209 T C -1.162 173.688 174.700 0.251 0.000 0.998 209 T CA -0.506 61.730 62.100 0.226 0.000 1.019 209 T CB 1.912 70.888 68.868 0.181 0.000 1.061 209 T HN 0.909 9.149 8.240 -0.000 0.000 0.518 210 F N 2.986 122.974 119.950 0.063 0.000 2.536 210 F HA 0.556 5.083 4.527 0.001 0.000 0.322 210 F C -2.302 173.517 175.800 0.032 0.000 1.144 210 F CA -2.429 55.594 58.000 0.039 0.000 0.924 210 F CB 1.054 40.072 39.000 0.030 0.000 1.181 210 F HN 0.571 8.871 8.300 -0.000 0.000 0.438 211 P HA 0.145 4.565 4.420 -0.000 0.000 0.269 211 P C -0.710 176.571 177.300 -0.031 0.000 1.215 211 P CA -0.241 62.631 63.100 -0.380 0.000 0.780 211 P CB 0.612 32.104 31.700 -0.346 0.000 0.898 212 c N 1.400 120.047 118.600 0.077 0.000 2.648 212 c HA 0.445 5.016 4.570 0.001 0.000 0.406 212 c C 1.282 175.393 174.090 0.035 0.000 1.406 212 c CA 1.099 57.479 56.329 0.084 0.000 1.610 212 c CB -1.157 41.407 42.510 0.091 0.000 2.451 212 c HN 0.979 9.209 8.230 -0.000 0.000 0.608 213 G N 3.987 112.810 108.800 0.038 0.000 2.898 213 G HA2 -0.077 3.884 3.960 0.001 0.000 0.267 213 G HA3 -0.077 3.884 3.960 0.001 0.000 0.267 213 G C -0.968 173.938 174.900 0.010 0.000 1.061 213 G CA -0.176 44.941 45.100 0.028 0.000 1.230 213 G HN 0.831 9.121 8.290 -0.000 0.000 0.569 214 Q N 0.749 120.554 119.800 0.008 0.000 2.693 214 Q HA 0.579 4.919 4.340 0.001 0.000 0.306 214 Q C -1.987 174.010 176.000 -0.004 0.000 0.969 214 Q CA -1.743 54.058 55.803 -0.003 0.000 0.757 214 Q CB 2.207 30.936 28.738 -0.015 0.000 1.494 214 Q HN 0.083 8.353 8.270 -0.000 0.000 0.459 215 P HA -0.046 4.374 4.420 -0.000 0.000 0.218 215 P C -0.095 177.197 177.300 -0.015 0.000 1.149 215 P CA 1.405 64.498 63.100 -0.011 0.000 0.817 215 P CB 0.323 32.014 31.700 -0.015 0.000 0.785 216 N N -1.090 117.593 118.700 -0.028 0.000 2.387 216 N HA 0.061 4.801 4.740 0.001 0.000 0.259 216 N C -0.944 174.519 175.510 -0.079 0.000 1.369 216 N CA 0.050 53.075 53.050 -0.042 0.000 0.867 216 N CB 0.709 39.170 38.487 -0.044 0.000 1.341 216 N HN 0.095 8.475 8.380 -0.000 0.000 0.495 217 D N 1.657 122.018 120.400 -0.066 0.000 2.392 217 D HA 0.340 4.981 4.640 0.001 0.000 0.228 217 D C -2.247 174.088 176.300 0.058 0.000 1.074 217 D CA -1.279 52.668 54.000 -0.089 0.000 0.838 217 D CB 1.686 42.450 40.800 -0.061 0.000 1.067 217 D HN 0.012 8.382 8.370 -0.000 0.000 0.511 218 P HA 0.209 4.629 4.420 -0.000 0.000 0.272 218 P C 0.620 177.982 177.300 0.103 0.000 1.240 218 P CA -0.403 62.773 63.100 0.127 0.000 0.791 218 P CB 0.716 32.499 31.700 0.137 0.000 0.978 219 G N -0.516 108.297 108.800 0.023 0.000 2.599 219 G HA2 0.518 4.479 3.960 0.001 0.000 0.264 219 G HA3 0.518 4.479 3.960 0.001 0.000 0.264 219 G C -1.106 173.594 174.900 -0.335 0.000 1.200 219 G CA -0.347 44.626 45.100 -0.212 0.000 0.896 219 G HN 0.383 8.673 8.290 -0.000 0.000 0.536 220 V N -0.193 119.221 119.914 -0.833 0.000 2.932 220 V HA 0.580 4.701 4.120 0.001 0.000 0.307 220 V C -1.218 174.319 176.094 -0.928 0.000 1.147 220 V CA -0.773 61.072 62.300 -0.760 0.000 0.951 220 V CB 0.889 31.852 31.823 -1.433 0.000 1.031 220 V HN 0.995 9.185 8.190 -0.000 0.000 0.426 221 Y N 1.672 121.859 120.300 -0.189 0.000 2.854 221 Y HA -0.184 4.367 4.550 0.001 0.000 0.032 221 Y C 0.781 176.648 175.900 -0.055 0.000 2.186 221 Y CA -0.235 57.809 58.100 -0.093 0.000 1.172 221 Y CB -1.802 36.606 38.460 -0.085 0.000 1.865 221 Y HN 0.907 9.187 8.280 -0.000 0.000 0.288 222 T N 2.535 117.157 114.554 0.114 0.000 2.382 222 T HA -0.287 4.063 4.350 0.001 0.000 0.556 222 T C 0.305 175.086 174.700 0.136 0.000 0.888 222 T CA 1.074 63.230 62.100 0.093 0.000 3.764 222 T CB -0.138 68.704 68.868 -0.043 0.000 0.911 222 T HN 0.574 8.814 8.240 -0.000 0.000 0.236 223 Q N 2.044 121.962 119.800 0.196 0.000 2.388 223 Q HA 0.114 4.455 4.340 0.001 0.000 0.246 223 Q C 1.627 177.796 176.000 0.282 0.000 1.246 223 Q CA -0.374 55.541 55.803 0.188 0.000 0.895 223 Q CB 0.494 29.326 28.738 0.157 0.000 1.510 223 Q HN 0.566 8.836 8.270 -0.000 0.000 0.503 224 V N 1.537 121.559 119.914 0.180 0.000 2.380 224 V HA -0.371 3.750 4.120 0.001 0.000 0.251 224 V C 2.224 178.451 176.094 0.221 0.000 1.063 224 V CA 1.786 64.206 62.300 0.199 0.000 1.055 224 V CB -0.476 31.399 31.823 0.088 0.000 0.657 224 V HN 0.954 9.144 8.190 -0.000 0.000 0.455 225 c N 0.488 119.161 118.600 0.121 0.000 2.399 225 c HA -0.252 4.319 4.570 0.001 0.000 0.282 225 c C 2.322 176.435 174.090 0.038 0.000 1.227 225 c CA 1.779 58.146 56.329 0.063 0.000 1.827 225 c CB -1.185 41.343 42.510 0.030 0.000 2.068 225 c HN 0.568 8.798 8.230 -0.000 0.000 0.500 226 K N -1.806 118.615 120.400 0.035 0.000 2.399 226 K HA 0.182 4.503 4.320 0.001 0.000 0.204 226 K C 0.320 176.651 176.600 -0.449 0.000 1.023 226 K CA 0.216 56.372 56.287 -0.218 0.000 1.127 226 K CB 0.200 32.483 32.500 -0.362 0.000 0.856 226 K HN 0.509 8.759 8.250 -0.000 0.000 0.514 227 F N 0.143 120.121 119.950 0.047 0.000 2.798 227 F HA -0.019 4.509 4.527 0.001 0.000 0.328 227 F C 2.157 178.071 175.800 0.189 0.000 1.098 227 F CA 0.002 58.072 58.000 0.116 0.000 1.172 227 F CB 0.371 39.418 39.000 0.078 0.000 1.072 227 F HN -0.049 8.251 8.300 -0.000 0.000 0.555 228 T N -1.478 113.216 114.554 0.234 0.000 2.721 228 T HA -0.312 4.039 4.350 0.001 0.000 0.268 228 T C 2.033 176.806 174.700 0.122 0.000 1.038 228 T CA 1.926 64.115 62.100 0.149 0.000 1.145 228 T CB -0.184 68.728 68.868 0.073 0.000 0.858 228 T HN 0.107 8.347 8.240 -0.000 0.000 0.459 229 K N 0.451 120.927 120.400 0.127 0.000 1.985 229 K HA -0.097 4.224 4.320 0.001 0.000 0.210 229 K C 1.947 178.635 176.600 0.147 0.000 1.047 229 K CA 1.659 58.007 56.287 0.101 0.000 0.932 229 K CB -1.055 31.498 32.500 0.088 0.000 0.716 229 K HN 0.592 8.842 8.250 -0.000 0.000 0.439 230 W N 1.173 122.520 121.300 0.077 0.000 2.318 230 W HA -0.208 4.453 4.660 0.002 0.000 0.313 230 W C 1.558 178.098 176.519 0.036 0.000 1.221 230 W CA 2.266 59.672 57.345 0.101 0.000 1.266 230 W CB -0.374 29.255 29.460 0.282 0.000 1.150 230 W HN 0.146 8.326 8.180 -0.000 0.000 0.496 231 I N 1.537 122.207 120.570 0.167 0.000 2.068 231 I HA -0.502 3.668 4.170 0.001 0.000 0.238 231 I C 2.292 178.163 176.117 -0.410 0.000 1.046 231 I CA 2.445 63.648 61.300 -0.161 0.000 1.306 231 I CB -0.923 37.116 38.000 0.065 0.000 1.023 231 I HN 0.218 8.428 8.210 -0.000 0.000 0.399 232 N N 0.123 118.676 118.700 -0.246 0.000 2.409 232 N HA -0.134 4.607 4.740 0.001 0.000 0.179 232 N C 1.079 176.408 175.510 -0.302 0.000 1.032 232 N CA 1.034 53.916 53.050 -0.280 0.000 0.898 232 N CB -0.354 38.035 38.487 -0.163 0.000 0.971 232 N HN 0.384 8.764 8.380 -0.000 0.000 0.441 233 D N 1.535 121.770 120.400 -0.275 0.000 2.097 233 D HA -0.087 4.554 4.640 0.001 0.000 0.195 233 D C 1.725 177.775 176.300 -0.417 0.000 0.989 233 D CA 1.372 55.208 54.000 -0.273 0.000 0.827 233 D CB -0.540 40.151 40.800 -0.182 0.000 0.966 233 D HN 0.221 8.591 8.370 -0.000 0.000 0.456 234 T N 0.893 115.047 114.554 -0.666 0.000 2.897 234 T HA -0.100 4.251 4.350 0.001 0.000 0.271 234 T C 1.036 175.311 174.700 -0.708 0.000 1.084 234 T CA 0.693 62.329 62.100 -0.773 0.000 1.123 234 T CB -0.231 67.857 68.868 -1.299 0.000 0.865 234 T HN 0.255 8.495 8.240 -0.000 0.000 0.496 235 M N 2.959 122.088 119.600 -0.784 0.000 2.111 235 M HA 0.447 4.927 4.480 0.001 0.000 0.351 235 M C -0.220 175.879 176.300 -0.334 0.000 1.214 235 M CA -0.860 54.028 55.300 -0.686 0.000 1.120 235 M CB 0.525 32.507 32.600 -1.030 0.000 1.443 235 M HN -0.113 8.177 8.290 -0.000 0.000 0.429 236 K N 1.976 122.254 120.400 -0.203 0.000 2.208 236 K HA 0.444 4.765 4.320 0.001 0.000 0.247 236 K C -0.358 176.081 176.600 -0.268 0.000 0.953 236 K CA -0.515 55.700 56.287 -0.120 0.000 0.837 236 K CB 0.862 33.434 32.500 0.120 0.000 1.131 236 K HN 0.763 9.013 8.250 -0.000 0.000 0.431 237 H N 1.313 120.330 119.070 -0.089 0.000 2.766 237 H HA -0.227 4.330 4.556 0.001 0.000 0.259 237 H C 0.181 175.354 175.328 -0.258 0.000 0.722 237 H CA 1.736 57.757 56.048 -0.046 0.000 1.068 237 H CB -0.903 28.762 29.762 -0.161 0.000 1.235 237 H HN 0.999 9.279 8.280 -0.000 0.000 0.478 238 H N 0.000 119.260 119.070 0.317 0.000 2.539 238 H HA 0.000 4.557 4.556 0.001 0.000 0.296 238 H CA 0.000 56.179 56.048 0.219 0.000 1.023 238 H CB 0.000 29.831 29.762 0.114 0.000 1.292 238 H HN 0.000 8.280 8.280 -0.000 0.000 0.496