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 1o5e_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVGGRDTSLG RWPWQVSLRY XDGAHLcGGS LLSGDWVLTA AHcFPERNRR DATA SEQUENCE VFAGAVAQAS PHGXXLQLGV QAVVYHGGYL PFXNSNDIAL VHLSSPLPLT DATA SEQUENCE EYIQPVCLPA AGQALVDGKI cTVTGWGNTQ YYGXQQAGVL QEARVPIISN DATA SEQUENCE DVcNGADFYQ IKPKMFcAYP IXXDAcQGDS GGPFVcEDSI SRRLCGIVSW DATA SEQUENCE GTXGcLAQKP GVYTKVSDFR EWIFQAIKTH SEASGMVTQL 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 4.193 4.170 0.038 0.000 0.288 16 I C 0.000 176.132 176.117 0.025 0.000 1.063 16 I CA 0.000 61.313 61.300 0.021 0.000 1.566 16 I CB 0.000 37.996 38.000 -0.007 0.000 1.214 17 V N 5.765 125.702 119.914 0.039 0.000 2.481 17 V HA 0.240 4.530 4.120 0.031 -0.151 0.286 17 V C 0.819 176.936 176.094 0.039 0.000 1.042 17 V CA -1.407 60.916 62.300 0.039 0.000 0.928 17 V CB 0.977 32.829 31.823 0.048 0.000 0.986 17 V HN 0.875 9.096 8.190 0.051 0.000 0.462 18 G N 6.464 115.280 108.800 0.027 0.000 2.179 18 G HA2 -0.413 3.553 3.960 0.010 0.000 0.257 18 G HA3 -0.413 3.712 3.960 0.018 -0.154 0.257 18 G C -0.815 174.097 174.900 0.019 0.000 1.010 18 G CA 0.548 45.659 45.100 0.018 0.000 0.736 18 G HN 0.779 9.084 8.290 0.024 0.000 0.513 19 G N -2.197 106.613 108.800 0.018 0.000 2.795 19 G HA2 0.462 4.433 3.960 0.018 0.000 0.267 19 G HA3 0.462 4.467 3.960 0.003 -0.042 0.267 19 G C -1.725 173.181 174.900 0.010 0.000 1.362 19 G CA -0.986 44.121 45.100 0.012 0.000 1.048 19 G HN -0.442 7.827 8.290 0.017 0.030 0.547 20 R N -2.730 117.777 120.500 0.011 0.000 2.867 20 R HA 0.392 4.741 4.340 0.014 0.000 0.268 20 R C -1.730 174.578 176.300 0.014 0.000 1.014 20 R CA -2.080 54.030 56.100 0.017 0.000 0.946 20 R CB 3.906 34.222 30.300 0.027 0.000 1.208 20 R HN 0.056 8.330 8.270 0.007 0.000 0.477 21 D N 1.455 121.865 120.400 0.017 0.000 2.382 21 D HA 0.257 5.058 4.640 0.004 -0.159 0.245 21 D C 0.341 176.659 176.300 0.031 0.000 1.120 21 D CA 0.757 54.767 54.000 0.017 0.000 0.890 21 D CB 0.513 41.326 40.800 0.022 0.000 1.201 21 D HN 0.196 8.577 8.370 0.019 0.000 0.433 22 T N 2.455 117.031 114.554 0.037 0.000 2.919 22 T HA 0.338 4.729 4.350 0.068 0.000 0.282 22 T C -1.645 173.068 174.700 0.022 0.000 1.020 22 T CA -2.294 59.848 62.100 0.071 0.000 0.994 22 T CB 1.272 70.257 68.868 0.195 0.000 1.180 22 T HN -0.014 8.235 8.240 0.015 0.000 0.566 23 S N 0.714 116.406 115.700 -0.014 0.000 2.689 23 S HA 0.225 4.674 4.470 -0.036 0.000 0.306 23 S C -0.675 173.868 174.600 -0.094 0.000 1.104 23 S CA -1.373 56.797 58.200 -0.050 0.000 0.973 23 S CB 2.410 65.578 63.200 -0.053 0.000 1.121 23 S HN 0.124 8.418 8.310 -0.028 0.000 0.523 24 L N 2.109 123.257 121.223 -0.125 0.000 2.525 24 L HA -0.207 4.000 4.340 -0.221 0.000 0.278 24 L C 1.414 178.229 176.870 -0.092 0.000 1.218 24 L CA 1.757 56.467 54.840 -0.216 0.000 0.878 24 L CB -0.035 41.757 42.059 -0.446 0.000 1.127 24 L HN 0.356 8.519 8.230 -0.112 0.000 0.492 25 G N 0.442 109.222 108.800 -0.032 0.000 2.184 25 G HA2 -0.313 3.705 3.960 0.097 0.000 0.264 25 G HA3 -0.313 3.753 3.960 0.176 0.000 0.264 25 G C -0.666 174.092 174.900 -0.237 0.000 0.975 25 G CA 0.405 45.526 45.100 0.036 0.000 0.642 25 G HN 0.488 8.720 8.290 -0.097 0.000 0.536 26 R N -0.157 120.113 120.500 -0.383 0.000 2.080 26 R HA -0.266 3.678 4.340 -0.659 0.000 0.222 26 R C -1.773 173.834 176.300 -1.155 0.000 1.107 26 R CA 2.000 57.631 56.100 -0.782 0.000 0.980 26 R CB 1.313 31.157 30.300 -0.760 0.000 0.879 26 R HN -0.467 7.560 8.270 -0.288 0.070 0.439 27 W N -4.493 116.513 121.300 -0.489 0.000 1.759 27 W HA 0.338 4.146 4.660 -1.421 0.000 0.291 27 W C -2.064 173.830 176.519 -1.042 0.000 0.855 27 W CA -2.597 54.185 57.345 -0.937 0.000 2.167 27 W CB 0.040 29.206 29.460 -0.490 0.000 2.351 27 W HN -0.010 7.899 8.180 -0.451 0.000 0.423 28 P HA -0.125 4.283 4.420 -0.181 -0.097 0.226 28 P C -0.355 176.867 177.300 -0.130 0.000 1.146 28 P CA 1.847 64.741 63.100 -0.343 0.000 0.773 28 P CB 0.218 31.795 31.700 -0.207 0.000 0.772 29 W N -5.134 116.269 121.300 0.171 0.000 3.077 29 W HA 0.326 5.197 4.660 0.146 -0.124 0.266 29 W C -0.374 176.247 176.519 0.169 0.000 1.300 29 W CA -2.470 54.971 57.345 0.160 0.000 1.586 29 W CB -1.019 28.535 29.460 0.157 0.000 1.103 29 W HN -0.460 6.831 8.180 -1.338 0.086 0.652 30 Q N 3.012 122.900 119.800 0.148 0.000 2.313 30 Q HA 0.274 4.955 4.340 0.304 -0.159 0.266 30 Q C -0.363 175.812 176.000 0.290 0.000 0.989 30 Q CA 0.677 56.607 55.803 0.212 0.000 0.890 30 Q CB 0.878 29.632 28.738 0.027 0.000 1.200 30 Q HN -0.415 7.616 8.270 -0.147 0.151 0.396 31 V N 0.164 120.304 119.914 0.377 0.000 3.102 31 V HA 0.812 5.278 4.120 0.413 -0.098 0.312 31 V C -2.046 174.395 176.094 0.577 0.000 1.135 31 V CA -2.908 59.640 62.300 0.413 0.000 1.022 31 V CB 3.927 35.917 31.823 0.279 0.000 1.056 31 V HN 0.123 8.528 8.190 0.360 0.000 0.436 32 S N 0.334 116.323 115.700 0.481 0.000 2.482 32 S HA 0.467 5.377 4.470 0.541 -0.116 0.303 32 S C -1.282 173.437 174.600 0.199 0.000 1.091 32 S CA -1.985 56.447 58.200 0.386 0.000 1.057 32 S CB 1.799 65.047 63.200 0.081 0.000 1.031 32 S HN 0.156 8.705 8.310 0.398 0.000 0.485 33 L N 5.893 127.144 121.223 0.047 0.000 2.305 33 L HA 0.642 5.198 4.340 0.096 -0.159 0.284 33 L C -1.222 175.599 176.870 -0.082 0.000 1.013 33 L CA -1.255 53.598 54.840 0.022 0.000 0.819 33 L CB 1.363 43.432 42.059 0.017 0.000 1.227 33 L HN 0.797 8.986 8.230 -0.069 0.000 0.417 34 R N 1.395 121.895 120.500 -0.000 0.000 2.514 34 R HA 0.910 5.417 4.340 -0.051 -0.198 0.301 34 R C -1.437 174.910 176.300 0.077 0.000 0.962 34 R CA -1.579 54.516 56.100 -0.008 0.000 0.882 34 R CB 2.987 33.267 30.300 -0.035 0.000 1.143 34 R HN 0.445 8.745 8.270 0.051 0.000 0.452 38 G N -2.855 105.883 108.800 -0.103 0.000 2.268 38 G HA2 -0.326 3.580 3.960 -0.091 0.000 0.240 38 G HA3 -0.326 3.589 3.960 -0.076 0.000 0.240 38 G C -0.989 173.875 174.900 -0.060 0.000 1.010 38 G CA 0.436 45.488 45.100 -0.080 0.000 0.618 38 G HN -0.057 8.161 8.290 -0.112 0.006 0.516 39 A N 2.129 124.936 122.820 -0.023 0.000 2.306 39 A HA 0.267 4.577 4.320 -0.018 0.000 0.314 39 A C -2.052 175.537 177.584 0.007 0.000 1.164 39 A CA -1.188 50.848 52.037 -0.001 0.000 0.822 39 A CB 1.928 20.942 19.000 0.023 0.000 1.130 39 A HN -0.396 7.588 8.150 -0.007 0.162 0.496 40 H N 3.920 122.944 119.070 -0.077 0.000 2.819 40 H HA -0.102 4.541 4.556 -0.073 -0.130 0.303 40 H C -0.765 174.547 175.328 -0.026 0.000 1.058 40 H CA 1.360 57.362 56.048 -0.077 0.000 1.471 40 H CB -0.119 29.563 29.762 -0.133 0.000 1.480 40 H HN 0.530 8.854 8.280 0.074 0.000 0.517 41 L N 4.896 125.845 121.223 -0.457 0.000 2.515 41 L HA 0.230 4.491 4.340 -0.131 0.000 0.202 41 L C -0.674 175.976 176.870 -0.366 0.000 1.056 41 L CA 1.058 55.724 54.840 -0.291 0.000 0.847 41 L CB 1.926 43.854 42.059 -0.218 0.000 1.131 41 L HN 0.462 8.381 8.230 -0.519 0.000 0.484 42 c N -4.499 113.801 118.600 -0.501 0.000 3.213 42 c HA 0.560 5.102 4.570 -0.139 -0.056 0.319 42 c C -1.287 172.729 174.090 -0.123 0.000 1.386 42 c CA -0.880 55.289 56.329 -0.268 0.000 1.494 42 c CB 4.199 46.551 42.510 -0.263 0.000 1.905 42 c HN -0.551 7.350 8.230 -0.549 0.000 0.456 43 G N -1.117 107.740 108.800 0.096 0.000 2.552 43 G HA2 0.795 5.148 3.960 0.422 0.000 0.324 43 G HA3 0.795 4.929 3.960 0.290 0.000 0.324 43 G C -2.563 172.450 174.900 0.188 0.000 1.217 43 G CA -1.627 43.636 45.100 0.271 0.000 0.989 43 G HN 0.807 9.125 8.290 0.046 0.000 0.490 44 G N -3.962 104.984 108.800 0.243 0.000 2.576 44 G HA2 0.570 4.902 3.960 0.185 0.000 0.290 44 G HA3 0.570 4.666 3.960 0.226 0.000 0.290 44 G C -2.953 172.102 174.900 0.260 0.000 1.442 44 G CA 0.138 45.371 45.100 0.222 0.000 0.792 44 G HN -0.560 7.910 8.290 0.300 0.000 0.491 45 S N 0.192 116.041 115.700 0.248 0.000 2.532 45 S HA 0.705 5.582 4.470 0.353 -0.195 0.299 45 S C -0.582 174.178 174.600 0.265 0.000 1.105 45 S CA -1.003 57.366 58.200 0.281 0.000 1.018 45 S CB 3.457 66.790 63.200 0.222 0.000 1.021 45 S HN 0.211 8.654 8.310 0.222 0.000 0.483 46 L N 4.920 126.325 121.223 0.304 0.000 2.360 46 L HA 0.056 4.707 4.340 0.265 -0.151 0.276 46 L C -0.097 176.918 176.870 0.242 0.000 1.121 46 L CA 0.469 55.474 54.840 0.275 0.000 0.845 46 L CB 0.036 42.261 42.059 0.276 0.000 1.143 46 L HN 0.435 8.888 8.230 0.372 0.000 0.452 47 L N 1.845 123.208 121.223 0.233 0.000 2.470 47 L HA 0.297 4.721 4.340 0.139 0.000 0.219 47 L C 0.117 177.108 176.870 0.203 0.000 1.071 47 L CA 0.281 55.231 54.840 0.183 0.000 0.850 47 L CB 1.434 43.585 42.059 0.154 0.000 1.040 47 L HN 0.597 8.990 8.230 0.272 0.000 0.475 48 S N -3.895 111.958 115.700 0.253 0.000 2.727 48 S HA 0.193 4.779 4.470 0.194 0.000 0.278 48 S C 0.542 175.271 174.600 0.216 0.000 1.186 48 S CA -0.708 57.634 58.200 0.236 0.000 0.836 48 S CB 2.147 65.525 63.200 0.296 0.000 1.186 48 S HN -0.741 7.740 8.310 0.285 0.000 0.499 49 G N -1.882 107.021 108.800 0.171 0.000 2.471 49 G HA2 -0.164 3.873 3.960 0.128 0.000 0.219 49 G HA3 -0.164 3.858 3.960 0.103 0.000 0.219 49 G C -0.015 174.947 174.900 0.103 0.000 1.125 49 G CA 1.893 47.069 45.100 0.127 0.000 0.775 49 G HN 0.472 8.861 8.290 0.165 0.000 0.548 50 D N -2.593 117.874 120.400 0.111 0.000 2.469 50 D HA 0.168 4.795 4.640 -0.023 0.000 0.213 50 D C -1.636 174.629 176.300 -0.058 0.000 1.135 50 D CA -1.509 52.487 54.000 -0.007 0.000 0.834 50 D CB 0.319 41.073 40.800 -0.076 0.000 1.009 50 D HN -0.627 7.804 8.370 0.176 0.045 0.507 51 W N -2.491 118.911 121.300 0.170 0.000 2.785 51 W HA 0.642 5.614 4.660 0.182 -0.203 0.333 51 W C -1.575 175.028 176.519 0.141 0.000 1.062 51 W CA -1.137 56.299 57.345 0.152 0.000 1.233 51 W CB 3.988 33.504 29.460 0.093 0.000 1.413 51 W HN -0.706 7.669 8.180 0.324 0.000 0.489 52 V N 2.334 122.502 119.914 0.425 0.000 2.588 52 V HA 0.709 5.189 4.120 0.290 -0.186 0.304 52 V C -2.023 174.250 176.094 0.297 0.000 1.042 52 V CA -1.232 61.255 62.300 0.313 0.000 0.877 52 V CB 3.312 35.293 31.823 0.262 0.000 0.996 52 V HN 0.876 9.352 8.190 0.477 0.000 0.425 53 L N 7.997 129.363 121.223 0.239 0.000 2.282 53 L HA 0.767 5.384 4.340 0.219 -0.146 0.288 53 L C -1.639 175.337 176.870 0.176 0.000 1.033 53 L CA -1.179 53.779 54.840 0.197 0.000 0.807 53 L CB 2.262 44.409 42.059 0.145 0.000 1.209 53 L HN 0.952 9.212 8.230 0.228 0.107 0.423 54 T N 5.187 119.840 114.554 0.166 0.000 2.590 54 T HA 0.621 5.237 4.350 0.095 -0.209 0.282 54 T C -2.173 172.549 174.700 0.036 0.000 0.989 54 T CA -3.067 59.104 62.100 0.119 0.000 1.091 54 T CB 1.843 70.822 68.868 0.184 0.000 1.460 54 T HN 0.669 9.019 8.240 0.184 0.000 0.499 55 A N -0.821 121.970 122.820 -0.049 0.000 2.305 55 A HA 0.514 4.854 4.320 -0.189 -0.134 0.322 55 A C -0.006 177.479 177.584 -0.165 0.000 1.187 55 A CA -1.825 50.101 52.037 -0.185 0.000 0.825 55 A CB 1.702 20.512 19.000 -0.316 0.000 1.164 55 A HN 0.438 8.549 8.150 -0.065 0.000 0.498 56 A N 5.632 128.290 122.820 -0.270 0.000 1.978 56 A HA -0.336 4.101 4.320 0.195 0.000 0.220 56 A C 1.021 178.470 177.584 -0.225 0.000 1.170 56 A CA 2.742 54.649 52.037 -0.217 0.000 0.636 56 A CB -0.513 18.119 19.000 -0.613 0.000 0.810 56 A HN 0.763 8.693 8.150 -0.378 -0.008 0.448 57 H N -3.983 114.793 119.070 -0.490 0.000 2.567 57 H HA -0.097 4.463 4.556 0.007 0.000 0.276 57 H C 0.556 175.847 175.328 -0.061 0.000 1.016 57 H CA 1.668 57.610 56.048 -0.175 0.000 1.186 57 H CB -0.947 28.726 29.762 -0.148 0.000 1.351 57 H HN 0.108 8.333 8.280 -0.539 -0.268 0.605 58 c N -2.109 116.246 118.600 -0.409 0.000 2.539 58 c HA -0.106 4.170 4.570 -0.491 0.000 0.268 58 c C -0.995 172.577 174.090 -0.864 0.000 1.395 58 c CA 1.424 57.335 56.329 -0.698 0.000 1.757 58 c CB -0.256 41.681 42.510 -0.954 0.000 1.851 58 c HN -0.806 7.113 8.230 -0.386 0.079 0.545 59 F N -1.354 118.598 119.950 0.003 0.000 2.438 59 F HA 0.376 4.800 4.527 -0.171 0.000 0.315 59 F C -2.262 173.373 175.800 -0.276 0.000 1.258 59 F CA -2.727 55.210 58.000 -0.105 0.000 1.180 59 F CB -0.537 38.424 39.000 -0.066 0.000 1.412 59 F HN -0.781 7.507 8.300 0.062 0.049 0.544 60 P HA 0.073 4.112 4.420 -0.637 0.000 0.272 60 P C 0.769 177.881 177.300 -0.314 0.000 1.240 60 P CA -0.499 62.423 63.100 -0.295 0.000 0.791 60 P CB 0.839 32.492 31.700 -0.077 0.000 0.978 61 E N 0.866 120.879 120.200 -0.312 0.000 2.136 61 E HA -0.449 3.773 4.350 -0.214 0.000 0.208 61 E C 2.199 178.722 176.600 -0.129 0.000 1.035 61 E CA 4.021 60.302 56.400 -0.198 0.000 0.838 61 E CB -0.341 29.279 29.700 -0.133 0.000 0.748 61 E HN 0.454 8.609 8.360 -0.342 0.000 0.459 62 R N -5.581 114.847 120.500 -0.121 0.000 2.339 62 R HA -0.211 4.103 4.340 -0.042 0.000 0.199 62 R C 0.056 176.253 176.300 -0.172 0.000 1.018 62 R CA 1.094 57.141 56.100 -0.090 0.000 1.036 62 R CB -0.293 29.968 30.300 -0.065 0.000 0.899 62 R HN -0.067 8.120 8.270 -0.125 0.008 0.473 63 N N -2.192 116.335 118.700 -0.288 0.000 2.553 63 N HA 0.221 4.338 4.740 -1.039 0.000 0.298 63 N C -1.991 173.373 175.510 -0.243 0.000 1.596 63 N CA -0.323 52.336 53.050 -0.652 0.000 0.910 63 N CB 0.449 38.443 38.487 -0.822 0.000 1.336 63 N HN 0.249 8.298 8.380 -0.229 0.193 0.497 64 R N 0.003 120.478 120.500 -0.042 0.000 2.790 64 R HA 0.202 4.605 4.340 0.105 0.000 0.274 64 R C -1.523 174.850 176.300 0.122 0.000 1.334 64 R CA -0.829 55.307 56.100 0.060 0.000 1.543 64 R CB -0.706 29.593 30.300 -0.002 0.000 1.154 64 R HN -0.741 7.443 8.270 -0.039 0.062 0.601 65 R N 0.150 120.694 120.500 0.074 0.000 2.668 65 R HA 0.452 4.996 4.340 0.061 -0.167 0.279 65 R C -0.893 175.469 176.300 0.103 0.000 0.976 65 R CA -3.426 52.714 56.100 0.066 0.000 0.978 65 R CB 2.042 32.367 30.300 0.042 0.000 1.133 65 R HN -0.227 8.094 8.270 0.085 0.000 0.484 66 V N 2.561 122.547 119.914 0.119 0.000 2.407 66 V HA 0.442 4.849 4.120 0.168 -0.186 0.291 66 V C -1.805 174.405 176.094 0.193 0.000 1.018 66 V CA -0.628 61.765 62.300 0.155 0.000 0.842 66 V CB 1.639 33.543 31.823 0.135 0.000 0.996 66 V HN 0.465 8.714 8.190 0.099 0.000 0.426 67 F N 9.350 129.325 119.950 0.041 0.000 2.420 67 F HA 1.008 5.777 4.527 0.021 -0.229 0.342 67 F C -2.102 173.749 175.800 0.086 0.000 1.113 67 F CA -2.785 55.227 58.000 0.021 0.000 1.059 67 F CB 3.433 42.395 39.000 -0.063 0.000 1.128 67 F HN 0.610 9.094 8.300 0.307 0.000 0.475 68 A N 5.271 127.858 122.820 -0.387 0.000 2.566 68 A HA 0.572 4.803 4.320 -0.149 0.000 0.292 68 A C -1.362 176.001 177.584 -0.368 0.000 1.112 68 A CA -1.362 50.518 52.037 -0.261 0.000 0.707 68 A CB 3.350 22.334 19.000 -0.027 0.000 1.302 68 A HN 0.702 8.594 8.150 -0.430 0.000 0.409 69 G N -2.163 106.535 108.800 -0.170 0.000 2.148 69 G HA2 -0.431 3.721 3.960 0.001 0.000 0.254 69 G HA3 -0.431 3.490 3.960 -0.066 0.000 0.254 69 G C -1.891 172.899 174.900 -0.183 0.000 0.981 69 G CA 0.590 45.627 45.100 -0.104 0.000 0.670 69 G HN 0.855 9.104 8.290 -0.067 0.000 0.528 70 A N -2.204 120.477 122.820 -0.230 0.000 2.539 70 A HA 0.356 4.600 4.320 -0.127 0.000 0.296 70 A C -2.035 175.670 177.584 0.202 0.000 1.073 70 A CA -1.095 50.897 52.037 -0.075 0.000 0.700 70 A CB 2.850 21.851 19.000 0.001 0.000 1.296 70 A HN -0.569 7.358 8.150 -0.294 0.046 0.405 71 V N -6.118 113.931 119.914 0.224 0.000 3.661 71 V HA 0.049 4.467 4.120 0.497 0.000 0.271 71 V C -1.387 175.024 176.094 0.529 0.000 1.315 71 V CA 0.554 63.066 62.300 0.353 0.000 1.072 71 V CB 1.133 33.018 31.823 0.104 0.000 0.830 71 V HN -0.040 8.214 8.190 0.105 0.000 0.443 72 A N -0.983 122.066 122.820 0.382 0.000 2.276 72 A HA 0.600 5.311 4.320 0.304 -0.208 0.316 72 A C 0.733 178.449 177.584 0.221 0.000 1.229 72 A CA -1.470 50.737 52.037 0.284 0.000 0.851 72 A CB 1.022 20.120 19.000 0.165 0.000 1.165 72 A HN -0.455 7.836 8.150 0.300 0.039 0.513 73 Q N 5.642 125.427 119.800 -0.025 0.000 2.234 73 Q HA -0.337 3.561 4.340 -0.736 0.000 0.206 73 Q C 1.114 176.866 176.000 -0.415 0.000 0.980 73 Q CA 3.324 58.849 55.803 -0.464 0.000 0.869 73 Q CB 0.207 28.617 28.738 -0.546 0.000 0.912 73 Q HN 0.321 8.618 8.270 0.044 0.000 0.436 74 A N -2.584 120.143 122.820 -0.156 0.000 2.684 74 A HA 0.212 4.416 4.320 -0.194 0.000 0.288 74 A C -0.812 176.781 177.584 0.014 0.000 1.337 74 A CA -1.100 50.870 52.037 -0.112 0.000 0.946 74 A CB -0.878 18.077 19.000 -0.074 0.000 1.093 74 A HN -0.021 8.059 8.150 -0.069 0.028 0.543 75 S N 0.716 116.494 115.700 0.131 0.000 2.528 75 S HA 0.230 4.803 4.470 0.172 0.000 0.277 75 S C 0.041 174.757 174.600 0.193 0.000 1.297 75 S CA -3.015 55.314 58.200 0.216 0.000 1.052 75 S CB 0.701 64.080 63.200 0.298 0.000 0.917 75 S HN -0.556 7.780 8.310 0.170 0.075 0.492 76 P HA 0.090 4.517 4.420 0.011 0.000 0.245 76 P C -0.646 176.575 177.300 -0.132 0.000 1.206 76 P CA 0.522 63.598 63.100 -0.040 0.000 0.781 76 P CB 0.330 31.949 31.700 -0.135 0.000 0.994 77 H N -1.037 118.080 119.070 0.078 0.000 2.537 77 H HA 0.219 4.803 4.556 0.046 0.000 0.295 77 H C -0.066 175.273 175.328 0.019 0.000 1.054 77 H CA -0.287 55.789 56.048 0.046 0.000 1.156 77 H CB -0.669 29.108 29.762 0.025 0.000 1.468 77 H HN -0.452 7.931 8.280 0.286 0.069 0.551 82 Q N 0.755 120.610 119.800 0.092 0.000 2.303 82 Q HA 0.653 5.337 4.340 0.155 -0.251 0.267 82 Q C -1.226 174.814 176.000 0.066 0.000 1.011 82 Q CA -0.780 55.096 55.803 0.122 0.000 0.740 82 Q CB 1.788 30.607 28.738 0.136 0.000 1.250 82 Q HN 0.149 8.460 8.270 0.068 0.000 0.458 83 L N 2.848 124.106 121.223 0.058 0.000 2.304 83 L HA 0.378 4.728 4.340 0.017 0.000 0.268 83 L C -0.811 176.074 176.870 0.024 0.000 1.010 83 L CA -1.959 52.897 54.840 0.026 0.000 0.813 83 L CB 2.679 44.745 42.059 0.010 0.000 1.315 83 L HN 0.456 8.731 8.230 0.075 0.000 0.445 84 G N -1.895 106.904 108.800 -0.001 0.000 2.557 84 G HA2 0.344 4.313 3.960 0.015 0.000 0.292 84 G HA3 0.344 4.293 3.960 -0.017 0.000 0.292 84 G C -1.712 173.178 174.900 -0.017 0.000 1.237 84 G CA -1.512 43.586 45.100 -0.004 0.000 0.978 84 G HN -0.207 8.073 8.290 -0.015 0.000 0.498 85 V N -1.066 118.843 119.914 -0.009 0.000 2.459 85 V HA 0.185 4.395 4.120 -0.043 -0.115 0.295 85 V C -0.304 175.756 176.094 -0.057 0.000 1.029 85 V CA -0.509 61.779 62.300 -0.020 0.000 0.874 85 V CB 2.180 34.030 31.823 0.045 0.000 0.985 85 V HN 0.303 8.495 8.190 0.004 0.000 0.438 86 Q N 7.964 127.697 119.800 -0.112 0.000 2.304 86 Q HA 0.040 4.328 4.340 -0.088 0.000 0.204 86 Q C -1.155 174.815 176.000 -0.049 0.000 0.936 86 Q CA 1.255 56.986 55.803 -0.119 0.000 0.878 86 Q CB 2.890 31.465 28.738 -0.271 0.000 0.983 86 Q HN 1.101 9.177 8.270 -0.143 0.108 0.516 87 A N -4.497 118.307 122.820 -0.027 0.000 2.610 87 A HA 0.804 5.280 4.320 -0.008 -0.161 0.291 87 A C -2.782 174.798 177.584 -0.006 0.000 1.086 87 A CA -0.808 51.233 52.037 0.007 0.000 0.677 87 A CB 3.588 22.625 19.000 0.062 0.000 1.278 87 A HN -0.656 7.466 8.150 -0.047 0.000 0.414 88 V N 0.075 119.957 119.914 -0.052 0.000 2.531 88 V HA 0.745 5.016 4.120 -0.076 -0.197 0.301 88 V C -1.683 174.388 176.094 -0.038 0.000 1.034 88 V CA -1.103 61.119 62.300 -0.131 0.000 0.865 88 V CB 3.901 35.452 31.823 -0.453 0.000 0.995 88 V HN 0.791 8.851 8.190 -0.045 0.103 0.424 89 V N 7.862 127.794 119.914 0.031 0.000 2.350 89 V HA 0.576 4.833 4.120 -0.130 -0.214 0.285 89 V C -1.235 175.000 176.094 0.235 0.000 1.014 89 V CA -1.374 60.918 62.300 -0.014 0.000 0.831 89 V CB 0.975 32.721 31.823 -0.129 0.000 1.000 89 V HN 0.773 9.016 8.190 0.088 0.000 0.433 90 Y N 4.862 125.280 120.300 0.196 0.000 2.602 90 Y HA 0.545 5.283 4.550 0.313 0.000 0.330 90 Y C -1.875 174.259 175.900 0.389 0.000 1.114 90 Y CA -3.666 54.606 58.100 0.287 0.000 1.182 90 Y CB 2.662 41.270 38.460 0.246 0.000 1.305 90 Y HN 0.852 9.099 8.280 -0.055 0.000 0.502 91 H N 2.739 121.996 119.070 0.312 0.000 2.819 91 H HA 0.202 5.092 4.556 0.201 -0.213 0.303 91 H C 1.627 177.100 175.328 0.242 0.000 1.058 91 H CA 0.791 56.875 56.048 0.060 0.000 1.471 91 H CB 1.187 30.698 29.762 -0.418 0.000 1.480 91 H HN -0.305 8.198 8.280 0.371 0.000 0.517 92 G N 6.904 115.869 108.800 0.274 0.000 2.448 92 G HA2 -0.286 3.825 3.960 0.252 0.000 0.219 92 G HA3 -0.286 3.773 3.960 0.164 0.000 0.219 92 G C 0.032 175.157 174.900 0.374 0.000 1.127 92 G CA 1.387 46.648 45.100 0.269 0.000 0.766 92 G HN 0.632 8.849 8.290 0.088 0.126 0.552 93 G N -1.579 107.548 108.800 0.545 0.000 2.956 93 G HA2 -0.143 3.926 3.960 0.182 0.000 0.207 93 G HA3 -0.143 3.914 3.960 0.161 0.000 0.207 93 G C -0.532 174.442 174.900 0.123 0.000 1.162 93 G CA -0.487 44.757 45.100 0.239 0.000 0.796 93 G HN -0.411 8.550 8.290 1.172 0.032 0.527 94 Y N 4.090 124.424 120.300 0.057 0.000 2.632 94 Y HA 0.208 4.831 4.550 -0.180 -0.181 0.336 94 Y C -0.012 175.842 175.900 -0.077 0.000 1.237 94 Y CA -2.946 55.083 58.100 -0.118 0.000 1.595 94 Y CB -1.668 36.644 38.460 -0.247 0.000 1.508 94 Y HN -0.372 7.980 8.280 0.425 0.182 0.480 95 L N 7.632 128.698 121.223 -0.261 0.000 2.064 95 L HA -0.316 3.989 4.340 -0.060 0.000 0.216 95 L C -0.015 176.684 176.870 -0.286 0.000 1.077 95 L CA 3.830 58.547 54.840 -0.206 0.000 0.766 95 L CB -2.873 39.068 42.059 -0.195 0.000 0.890 95 L HN 0.251 8.314 8.230 -0.217 0.038 0.435 96 P HA -0.248 4.003 4.420 -0.282 0.000 0.218 96 P C -0.469 176.826 177.300 -0.008 0.000 1.147 96 P CA 1.510 64.346 63.100 -0.441 0.000 0.827 96 P CB 0.097 31.300 31.700 -0.828 0.000 0.778 100 S N 0.712 116.398 115.700 -0.023 0.000 2.603 100 S HA 0.094 4.608 4.470 0.074 0.000 0.268 100 S C -0.779 173.848 174.600 0.046 0.000 1.317 100 S CA 0.762 58.983 58.200 0.034 0.000 1.012 100 S CB 1.263 64.464 63.200 0.003 0.000 0.926 100 S HN -0.249 7.998 8.310 -0.104 0.000 0.539 101 N N -2.151 116.530 118.700 -0.032 0.000 2.783 101 N HA -0.316 4.160 4.740 -0.441 0.000 0.247 101 N C -1.411 173.904 175.510 -0.324 0.000 1.089 101 N CA 0.952 53.810 53.050 -0.320 0.000 0.690 101 N CB -0.960 37.206 38.487 -0.535 0.000 0.991 101 N HN 0.729 9.143 8.380 0.057 0.000 0.552 102 D N -0.635 119.579 120.400 -0.309 0.000 2.563 102 D HA 0.201 4.264 4.640 -0.961 0.000 0.222 102 D C -2.348 173.675 176.300 -0.461 0.000 1.145 102 D CA -0.885 52.806 54.000 -0.515 0.000 1.001 102 D CB -0.246 40.400 40.800 -0.257 0.000 1.049 102 D HN 0.017 8.266 8.370 -0.203 0.000 0.515 103 I N 2.386 122.651 120.570 -0.509 0.000 2.827 103 I HA 0.792 4.979 4.170 -0.284 -0.187 0.298 103 I C -3.198 172.801 176.117 -0.196 0.000 1.235 103 I CA -1.761 59.289 61.300 -0.418 0.000 1.021 103 I CB 4.135 41.669 38.000 -0.778 0.000 1.259 103 I HN -0.399 7.458 8.210 -0.518 0.042 0.427 104 A N 4.571 127.418 122.820 0.045 0.000 2.610 104 A HA 0.788 5.485 4.320 0.446 -0.109 0.291 104 A C -2.952 174.824 177.584 0.319 0.000 1.086 104 A CA -1.117 51.089 52.037 0.283 0.000 0.677 104 A CB 3.833 23.002 19.000 0.281 0.000 1.278 104 A HN 0.611 8.706 8.150 0.040 0.078 0.414 105 L N -0.846 120.580 121.223 0.338 0.000 2.362 105 L HA 0.928 5.646 4.340 0.317 -0.188 0.271 105 L C -1.418 175.638 176.870 0.310 0.000 1.002 105 L CA -1.434 53.600 54.840 0.323 0.000 0.818 105 L CB 4.533 46.729 42.059 0.229 0.000 1.298 105 L HN 0.526 8.964 8.230 0.347 0.000 0.420 106 V N 1.725 121.849 119.914 0.350 0.000 2.487 106 V HA 0.492 4.849 4.120 0.122 -0.164 0.298 106 V C -1.717 174.501 176.094 0.206 0.000 1.028 106 V CA -1.228 61.201 62.300 0.215 0.000 0.860 106 V CB 2.378 34.319 31.823 0.196 0.000 0.991 106 V HN 0.737 9.172 8.190 0.407 0.000 0.427 107 H N 8.515 127.490 119.070 -0.160 0.000 2.519 107 H HA 0.612 4.799 4.556 -0.900 -0.172 0.316 107 H C -0.641 174.497 175.328 -0.316 0.000 1.065 107 H CA -3.129 52.553 56.048 -0.610 0.000 1.264 107 H CB 1.329 30.604 29.762 -0.812 0.000 1.413 107 H HN 0.832 9.159 8.280 0.078 0.000 0.465 108 L N 5.642 126.705 121.223 -0.267 0.000 2.453 108 L HA 0.045 4.452 4.340 -0.123 -0.141 0.261 108 L C 0.660 177.322 176.870 -0.347 0.000 1.179 108 L CA -0.001 54.715 54.840 -0.207 0.000 0.813 108 L CB 0.407 42.402 42.059 -0.107 0.000 1.110 108 L HN 0.288 8.268 8.230 -0.230 0.111 0.466 109 S N -0.983 114.587 115.700 -0.218 0.000 2.423 109 S HA -0.190 4.109 4.470 -0.285 0.000 0.231 109 S C 0.104 174.588 174.600 -0.192 0.000 1.014 109 S CA 2.082 60.153 58.200 -0.215 0.000 0.965 109 S CB 0.842 63.971 63.200 -0.120 0.000 0.785 109 S HN 0.215 8.327 8.310 -0.136 0.116 0.495 110 S N -2.131 113.481 115.700 -0.146 0.000 2.579 110 S HA 0.313 4.715 4.470 -0.114 0.000 0.272 110 S C -2.661 171.894 174.600 -0.074 0.000 1.141 110 S CA -2.874 55.266 58.200 -0.099 0.000 0.843 110 S CB 1.872 65.038 63.200 -0.057 0.000 1.122 110 S HN -0.793 7.418 8.310 -0.128 0.022 0.468 111 P HA -0.003 4.561 4.420 -0.010 -0.150 0.274 111 P C -1.121 176.187 177.300 0.013 0.000 1.231 111 P CA -0.586 62.511 63.100 -0.006 0.000 0.790 111 P CB 0.688 32.398 31.700 0.017 0.000 0.951 112 L N 1.957 123.201 121.223 0.034 0.000 2.375 112 L HA 0.439 4.797 4.340 0.030 0.000 0.271 112 L C -1.226 175.671 176.870 0.045 0.000 1.107 112 L CA -2.503 52.362 54.840 0.041 0.000 0.806 112 L CB -0.053 42.041 42.059 0.058 0.000 1.146 112 L HN 0.183 8.305 8.230 0.045 0.134 0.447 113 P HA -0.060 4.382 4.420 0.037 0.000 0.269 113 P C -1.648 175.680 177.300 0.047 0.000 1.215 113 P CA -0.378 62.745 63.100 0.038 0.000 0.780 113 P CB 0.527 32.245 31.700 0.029 0.000 0.898 114 L N 0.609 121.859 121.223 0.044 0.000 2.287 114 L HA 0.279 4.777 4.340 0.064 -0.119 0.287 114 L C -0.097 176.787 176.870 0.023 0.000 1.022 114 L CA -0.445 54.426 54.840 0.051 0.000 0.814 114 L CB 1.172 43.268 42.059 0.063 0.000 1.217 114 L HN 0.222 8.475 8.230 0.038 0.000 0.420 115 T N 1.405 115.965 114.554 0.010 0.000 2.676 115 T HA 0.380 4.699 4.350 -0.053 0.000 0.269 115 T C 0.153 174.795 174.700 -0.096 0.000 0.952 115 T CA -1.923 60.146 62.100 -0.052 0.000 1.040 115 T CB 1.878 70.713 68.868 -0.055 0.000 1.352 115 T HN 0.338 8.597 8.240 0.032 0.000 0.554 116 E N -2.228 117.827 120.200 -0.242 0.000 2.516 116 E HA -0.153 4.104 4.350 -0.155 0.000 0.199 116 E C -0.799 175.656 176.600 -0.242 0.000 1.069 116 E CA 1.735 57.959 56.400 -0.293 0.000 0.876 116 E CB -1.151 28.282 29.700 -0.445 0.000 0.843 116 E HN 0.697 8.879 8.360 -0.298 0.000 0.530 117 Y N -3.371 116.902 120.300 -0.044 0.000 2.453 117 Y HA 0.176 4.668 4.550 -0.097 0.000 0.247 117 Y C -1.213 174.656 175.900 -0.050 0.000 1.124 117 Y CA -1.689 56.372 58.100 -0.064 0.000 1.243 117 Y CB 1.516 39.944 38.460 -0.054 0.000 1.213 117 Y HN -0.765 7.357 8.280 -0.129 0.081 0.523 118 I N -0.093 120.541 120.570 0.107 0.000 2.497 118 I HA 0.446 4.877 4.170 0.096 -0.203 0.284 118 I C -1.782 174.398 176.117 0.105 0.000 1.060 118 I CA -1.138 60.221 61.300 0.097 0.000 1.071 118 I CB 2.177 40.229 38.000 0.087 0.000 1.216 118 I HN -0.791 7.338 8.210 0.066 0.120 0.442 119 Q N 5.370 125.263 119.800 0.155 0.000 2.340 119 Q HA 0.517 4.959 4.340 0.169 0.000 0.276 119 Q C -2.985 173.219 176.000 0.340 0.000 1.048 119 Q CA -3.433 52.501 55.803 0.217 0.000 0.832 119 Q CB 3.753 32.629 28.738 0.229 0.000 1.373 119 Q HN 0.049 8.311 8.270 0.166 0.108 0.409 120 P HA 0.191 4.947 4.420 0.326 -0.141 0.276 120 P C -1.474 175.982 177.300 0.261 0.000 1.244 120 P CA -0.643 62.627 63.100 0.283 0.000 0.801 120 P CB 1.232 33.047 31.700 0.192 0.000 1.006 121 V N 0.101 120.073 119.914 0.097 0.000 2.834 121 V HA 0.048 3.892 4.120 -0.460 0.000 0.313 121 V C -0.588 175.410 176.094 -0.161 0.000 1.060 121 V CA -1.623 60.481 62.300 -0.327 0.000 0.989 121 V CB 2.599 33.950 31.823 -0.787 0.000 1.041 121 V HN 0.145 8.421 8.190 0.142 0.000 0.459 122 C N 4.416 123.595 119.300 -0.202 0.000 2.347 122 C HA 0.128 4.574 4.460 -0.023 0.000 0.366 122 C C -0.524 174.427 174.990 -0.065 0.000 1.241 122 C CA 0.354 59.324 59.018 -0.080 0.000 2.360 122 C CB 0.665 28.369 27.740 -0.060 0.000 2.290 122 C HN -0.101 7.935 8.230 -0.324 0.000 0.587 123 L N -0.626 120.594 121.223 -0.004 0.000 2.334 123 L HA 0.425 4.758 4.340 -0.011 0.000 0.270 123 L C -1.456 175.425 176.870 0.018 0.000 1.018 123 L CA -2.832 52.013 54.840 0.008 0.000 0.811 123 L CB 0.785 42.862 42.059 0.029 0.000 1.271 123 L HN 0.118 8.365 8.230 0.027 0.000 0.443 124 P HA 0.062 4.632 4.420 0.008 -0.145 0.266 124 P C -0.829 176.498 177.300 0.047 0.000 1.195 124 P CA -0.284 62.829 63.100 0.021 0.000 0.768 124 P CB 0.136 31.846 31.700 0.016 0.000 0.838 125 A N 2.096 124.938 122.820 0.036 0.000 2.313 125 A HA 0.024 4.386 4.320 0.071 0.000 0.261 125 A C -0.566 177.048 177.584 0.050 0.000 1.090 125 A CA -0.899 51.167 52.037 0.048 0.000 0.807 125 A CB 0.938 19.954 19.000 0.027 0.000 1.055 125 A HN 0.487 9.051 8.150 0.020 -0.402 0.492 126 A N 0.479 123.334 122.820 0.058 0.000 2.511 126 A HA -0.077 4.282 4.320 0.065 0.000 0.242 126 A C 0.994 178.593 177.584 0.026 0.000 1.069 126 A CA 1.596 53.664 52.037 0.052 0.000 0.763 126 A CB -0.494 18.536 19.000 0.051 0.000 1.001 126 A HN -0.082 8.104 8.150 0.060 0.000 0.498 127 G N 2.227 111.037 108.800 0.018 0.000 2.212 127 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.266 127 G HA3 -0.359 3.602 3.960 0.003 0.000 0.266 127 G C -0.246 174.652 174.900 -0.004 0.000 0.978 127 G CA 0.276 45.378 45.100 0.003 0.000 0.632 127 G HN 0.319 8.622 8.290 0.022 0.000 0.537 128 Q N 1.816 121.615 119.800 -0.000 0.000 2.286 128 Q HA -0.100 4.232 4.340 -0.013 0.000 0.267 128 Q C -1.174 174.811 176.000 -0.025 0.000 1.028 128 Q CA 0.141 55.937 55.803 -0.011 0.000 0.901 128 Q CB 0.292 29.027 28.738 -0.004 0.000 1.183 128 Q HN -0.373 7.701 8.270 0.010 0.202 0.392 129 A N 5.759 128.557 122.820 -0.037 0.000 2.299 129 A HA 0.314 4.597 4.320 -0.061 0.000 0.332 129 A C -0.936 176.598 177.584 -0.083 0.000 1.131 129 A CA -0.731 51.271 52.037 -0.058 0.000 0.844 129 A CB 1.565 20.533 19.000 -0.053 0.000 1.251 129 A HN 0.101 8.232 8.150 -0.032 0.000 0.486 130 L N -0.166 120.981 121.223 -0.127 0.000 2.397 130 L HA 0.076 4.320 4.340 -0.159 0.000 0.271 130 L C -0.218 176.575 176.870 -0.128 0.000 1.148 130 L CA -0.720 54.013 54.840 -0.178 0.000 0.825 130 L CB 0.562 42.421 42.059 -0.333 0.000 1.117 130 L HN 0.060 8.212 8.230 -0.130 0.000 0.456 131 V N 4.249 124.097 119.914 -0.109 0.000 2.304 131 V HA 0.034 4.115 4.120 -0.066 0.000 0.269 131 V C -0.778 175.270 176.094 -0.076 0.000 1.036 131 V CA -0.915 61.340 62.300 -0.074 0.000 0.840 131 V CB 0.495 32.288 31.823 -0.050 0.000 1.036 131 V HN 0.051 8.173 8.190 -0.114 0.000 0.466 132 D N 8.481 128.836 120.400 -0.075 0.000 2.472 132 D HA -0.320 4.273 4.640 -0.079 0.000 0.237 132 D C 1.111 177.385 176.300 -0.043 0.000 1.141 132 D CA 2.036 55.996 54.000 -0.066 0.000 0.875 132 D CB 0.299 41.065 40.800 -0.058 0.000 1.192 132 D HN 0.316 8.643 8.370 -0.072 0.000 0.450 133 G N 3.312 112.091 108.800 -0.036 0.000 2.320 133 G HA2 -0.483 3.461 3.960 -0.026 0.000 0.242 133 G HA3 -0.483 3.465 3.960 -0.020 0.000 0.242 133 G C -0.471 174.420 174.900 -0.014 0.000 1.033 133 G CA -0.141 44.945 45.100 -0.024 0.000 0.620 133 G HN 0.377 8.515 8.290 -0.038 0.129 0.517 134 K N 2.190 122.581 120.400 -0.015 0.000 2.436 134 K HA -0.050 4.267 4.320 -0.005 0.000 0.275 134 K C -0.876 175.726 176.600 0.004 0.000 0.999 134 K CA 0.709 56.991 56.287 -0.008 0.000 0.980 134 K CB 0.882 33.372 32.500 -0.017 0.000 0.919 134 K HN -0.455 7.692 8.250 -0.026 0.087 0.484 135 I N 4.737 125.305 120.570 -0.002 0.000 2.304 135 I HA 0.007 4.341 4.170 -0.003 -0.166 0.291 135 I C -0.764 175.316 176.117 -0.062 0.000 1.018 135 I CA -0.020 61.276 61.300 -0.008 0.000 1.260 135 I CB 0.245 38.258 38.000 0.021 0.000 1.390 135 I HN 0.060 8.270 8.210 -0.001 0.000 0.475 136 c N 7.841 126.348 118.600 -0.154 0.000 2.803 136 c HA 0.392 4.808 4.570 -0.257 0.000 0.389 136 c C -1.448 172.385 174.090 -0.428 0.000 1.433 136 c CA -1.692 54.399 56.329 -0.397 0.000 1.714 136 c CB 3.556 45.602 42.510 -0.775 0.000 2.106 136 c HN 0.648 8.822 8.230 -0.094 0.000 0.480 137 T N 0.877 115.109 114.554 -0.537 0.000 2.885 137 T HA 0.895 5.274 4.350 -0.305 -0.212 0.285 137 T C -1.903 172.479 174.700 -0.531 0.000 1.019 137 T CA -0.479 61.349 62.100 -0.454 0.000 1.010 137 T CB 2.325 70.891 68.868 -0.504 0.000 1.022 137 T HN 0.536 8.421 8.240 -0.593 0.000 0.466 138 V N 5.060 124.771 119.914 -0.338 0.000 2.709 138 V HA 0.943 5.177 4.120 -0.167 -0.214 0.308 138 V C -2.325 173.623 176.094 -0.243 0.000 1.062 138 V CA -2.973 59.229 62.300 -0.164 0.000 0.901 138 V CB 3.992 35.882 31.823 0.112 0.000 1.003 138 V HN 0.681 8.708 8.190 -0.271 0.000 0.425 139 T N 4.289 118.696 114.554 -0.245 0.000 2.916 139 T HA 1.010 5.366 4.350 -0.298 -0.185 0.292 139 T C -1.225 173.362 174.700 -0.188 0.000 1.055 139 T CA -2.961 58.954 62.100 -0.308 0.000 1.009 139 T CB 3.016 71.579 68.868 -0.509 0.000 1.118 139 T HN -0.330 7.815 8.240 -0.158 0.000 0.497 140 G N -0.409 108.227 108.800 -0.274 0.000 2.316 140 G HA2 0.170 3.987 3.960 -0.238 0.000 0.296 140 G HA3 0.170 4.290 3.960 -0.031 -0.179 0.296 140 G C -2.471 172.263 174.900 -0.278 0.000 1.399 140 G CA 0.551 45.529 45.100 -0.204 0.000 0.833 140 G HN -0.200 7.879 8.290 -0.351 0.000 0.565 141 W N 0.286 121.558 121.300 -0.046 0.000 2.966 141 W HA 0.370 4.963 4.660 -0.111 0.000 0.406 141 W C -0.246 176.170 176.519 -0.172 0.000 1.027 141 W CA -0.962 56.276 57.345 -0.179 0.000 1.930 141 W CB 1.104 30.292 29.460 -0.453 0.000 1.144 141 W HN 0.617 8.938 8.180 0.233 0.000 0.626 142 G N 0.768 109.636 108.800 0.113 0.000 2.621 142 G HA2 -0.026 4.002 3.960 0.115 0.000 0.271 142 G HA3 -0.026 4.069 3.960 0.099 -0.076 0.271 142 G C -0.757 174.168 174.900 0.041 0.000 1.236 142 G CA -0.966 44.191 45.100 0.094 0.000 0.958 142 G HN -0.213 8.355 8.290 0.101 -0.217 0.512 143 N N -0.261 118.445 118.700 0.010 0.000 2.294 143 N HA -0.283 4.593 4.740 -0.008 -0.140 0.248 143 N C 0.873 176.382 175.510 -0.001 0.000 1.242 143 N CA 1.211 54.250 53.050 -0.018 0.000 0.848 143 N CB 0.153 38.589 38.487 -0.085 0.000 1.084 143 N HN -0.039 8.344 8.380 0.005 0.000 0.457 144 T N -4.874 109.685 114.554 0.007 0.000 3.086 144 T HA -0.012 4.478 4.350 0.019 -0.129 0.250 144 T C -0.575 174.140 174.700 0.025 0.000 1.074 144 T CA -0.050 62.061 62.100 0.018 0.000 0.988 144 T CB 1.168 70.049 68.868 0.022 0.000 0.988 144 T HN -0.112 8.132 8.240 0.008 0.000 0.530 145 Q N -2.430 117.382 119.800 0.020 0.000 2.479 145 Q HA 0.313 4.686 4.340 0.054 0.000 0.276 145 Q C -1.253 174.750 176.000 0.006 0.000 0.989 145 Q CA -0.824 55.004 55.803 0.042 0.000 0.864 145 Q CB 3.174 31.954 28.738 0.069 0.000 1.444 145 Q HN -0.659 7.532 8.270 -0.000 0.079 0.388 146 Y N 5.584 125.814 120.300 -0.117 0.000 2.128 146 Y HA -0.327 4.118 4.550 -0.175 0.000 0.284 146 Y C -0.395 175.327 175.900 -0.296 0.000 1.154 146 Y CA 3.132 61.076 58.100 -0.261 0.000 1.149 146 Y CB 0.378 38.568 38.460 -0.450 0.000 0.976 146 Y HN 0.509 8.861 8.280 0.120 0.000 0.505 147 Y N -2.101 118.319 120.300 0.201 0.000 2.882 147 Y HA 0.010 4.590 4.550 0.049 0.000 0.361 147 Y C -0.917 175.005 175.900 0.037 0.000 1.058 147 Y CA -0.890 57.276 58.100 0.111 0.000 1.575 147 Y CB -0.472 38.079 38.460 0.151 0.000 1.383 147 Y HN -0.400 7.936 8.280 0.095 0.000 0.515 151 Q N -0.757 119.047 119.800 0.005 0.000 2.492 151 Q HA -0.222 4.239 4.340 0.020 -0.109 0.238 151 Q C -0.426 175.593 176.000 0.031 0.000 1.045 151 Q CA 0.406 56.218 55.803 0.015 0.000 0.934 151 Q CB 0.568 29.305 28.738 -0.001 0.000 1.276 151 Q HN 0.182 8.454 8.270 0.002 0.000 0.521 152 A N 0.830 123.689 122.820 0.065 0.000 2.327 152 A HA 0.137 4.496 4.320 0.065 0.000 0.283 152 A C -0.271 177.411 177.584 0.163 0.000 1.127 152 A CA -0.256 51.840 52.037 0.098 0.000 0.810 152 A CB 0.837 19.891 19.000 0.090 0.000 1.066 152 A HN -0.170 7.913 8.150 0.073 0.111 0.492 153 G N 1.106 109.981 108.800 0.126 0.000 2.494 153 G HA2 0.019 4.015 3.960 0.060 0.000 0.216 153 G HA3 0.019 4.022 3.960 0.071 0.000 0.216 153 G C -1.314 173.722 174.900 0.227 0.000 1.140 153 G CA 0.687 45.856 45.100 0.115 0.000 0.801 153 G HN 0.523 8.867 8.290 0.091 0.000 0.536 154 V N -1.303 118.752 119.914 0.235 0.000 2.680 154 V HA 0.648 5.215 4.120 0.356 -0.233 0.309 154 V C -0.148 176.019 176.094 0.121 0.000 1.052 154 V CA -1.475 60.967 62.300 0.237 0.000 0.908 154 V CB 3.535 35.427 31.823 0.116 0.000 1.001 154 V HN -0.858 7.408 8.190 0.168 0.025 0.431 155 L N 6.718 127.916 121.223 -0.042 0.000 2.525 155 L HA -0.120 3.545 4.340 -1.126 0.000 0.278 155 L C -1.305 175.409 176.870 -0.259 0.000 1.218 155 L CA 1.067 55.550 54.840 -0.594 0.000 0.878 155 L CB 0.716 42.374 42.059 -0.668 0.000 1.127 155 L HN 0.509 8.739 8.230 0.185 0.112 0.492 156 Q N 3.794 123.432 119.800 -0.270 0.000 2.301 156 Q HA 0.760 5.248 4.340 -0.075 -0.192 0.267 156 Q C -0.616 175.288 176.000 -0.160 0.000 1.035 156 Q CA -2.297 53.427 55.803 -0.132 0.000 0.856 156 Q CB 3.083 31.771 28.738 -0.082 0.000 1.337 156 Q HN 0.389 8.428 8.270 -0.385 0.000 0.450 157 E N -1.027 119.116 120.200 -0.096 0.000 2.343 157 E HA 0.894 5.263 4.350 -0.264 -0.177 0.270 157 E C -2.138 174.419 176.600 -0.071 0.000 0.895 157 E CA -2.115 54.192 56.400 -0.154 0.000 0.767 157 E CB 4.515 34.166 29.700 -0.082 0.000 1.248 157 E HN 0.501 8.837 8.360 -0.040 0.000 0.440 158 A N 0.517 123.284 122.820 -0.089 0.000 2.594 158 A HA 0.482 4.814 4.320 0.021 0.000 0.295 158 A C -2.670 174.905 177.584 -0.014 0.000 1.071 158 A CA -0.357 51.677 52.037 -0.005 0.000 0.685 158 A CB 3.909 22.932 19.000 0.039 0.000 1.285 158 A HN 0.500 8.546 8.150 -0.173 0.000 0.405 159 R N 1.017 121.551 120.500 0.056 0.000 2.445 159 R HA 0.956 5.496 4.340 -0.032 -0.219 0.308 159 R C -0.815 175.578 176.300 0.155 0.000 0.961 159 R CA -1.066 55.068 56.100 0.057 0.000 0.862 159 R CB 1.740 32.089 30.300 0.082 0.000 1.144 159 R HN 0.359 8.684 8.270 0.091 0.000 0.447 160 V N -1.547 118.407 119.914 0.067 0.000 2.971 160 V HA 0.553 4.594 4.120 -0.131 0.000 0.309 160 V C -2.955 173.109 176.094 -0.050 0.000 1.130 160 V CA -3.990 58.295 62.300 -0.024 0.000 0.964 160 V CB 3.441 35.300 31.823 0.060 0.000 1.029 160 V HN 0.535 8.720 8.190 -0.008 0.000 0.427 161 P HA 0.660 5.316 4.420 0.002 -0.235 0.284 161 P C -0.606 176.681 177.300 -0.022 0.000 1.258 161 P CA -1.940 61.110 63.100 -0.083 0.000 0.824 161 P CB 1.527 33.147 31.700 -0.133 0.000 1.038 162 I N 0.156 120.746 120.570 0.034 0.000 2.529 162 I HA -0.033 4.301 4.170 0.066 -0.124 0.284 162 I C 0.383 176.490 176.117 -0.016 0.000 1.082 162 I CA 0.787 62.102 61.300 0.026 0.000 1.406 162 I CB 0.478 38.457 38.000 -0.035 0.000 1.405 162 I HN -0.122 8.109 8.210 0.035 0.000 0.548 163 I N 6.997 127.567 120.570 -0.000 0.000 2.607 163 I HA 0.169 4.308 4.170 -0.052 0.000 0.305 163 I C -0.679 175.412 176.117 -0.042 0.000 0.995 163 I CA -1.473 59.805 61.300 -0.036 0.000 1.148 163 I CB 2.355 40.339 38.000 -0.027 0.000 1.323 163 I HN 0.187 8.425 8.210 0.047 0.000 0.461 164 S N 3.178 118.832 115.700 -0.076 0.000 2.632 164 S HA 0.087 4.664 4.470 -0.048 -0.136 0.267 164 S C 0.944 175.501 174.600 -0.072 0.000 1.276 164 S CA -1.078 57.082 58.200 -0.066 0.000 0.998 164 S CB 1.545 64.703 63.200 -0.071 0.000 0.953 164 S HN -0.145 8.107 8.310 -0.097 0.000 0.547 165 N N 1.370 120.045 118.700 -0.042 0.000 2.270 165 N HA -0.259 4.471 4.740 -0.017 0.000 0.181 165 N C 1.252 176.731 175.510 -0.051 0.000 1.016 165 N CA 3.429 56.462 53.050 -0.028 0.000 0.870 165 N CB -0.016 38.470 38.487 -0.002 0.000 0.979 165 N HN 0.569 8.928 8.380 -0.035 0.000 0.431 166 D N -2.490 117.873 120.400 -0.062 0.000 2.117 166 D HA -0.216 4.399 4.640 -0.042 0.000 0.197 166 D C 0.895 177.126 176.300 -0.115 0.000 0.987 166 D CA 2.694 56.655 54.000 -0.065 0.000 0.829 166 D CB -0.696 40.071 40.800 -0.055 0.000 0.961 166 D HN 0.324 8.640 8.370 -0.057 0.019 0.460 167 V N -1.203 118.599 119.914 -0.187 0.000 2.302 167 V HA -0.396 3.540 4.120 -0.307 0.000 0.243 167 V C 1.306 177.072 176.094 -0.546 0.000 1.036 167 V CA 3.095 65.172 62.300 -0.371 0.000 1.020 167 V CB 0.450 32.018 31.823 -0.425 0.000 0.657 167 V HN -0.739 7.353 8.190 -0.160 0.002 0.453 168 c N 0.779 119.147 118.600 -0.386 0.000 2.422 168 c HA -0.394 3.930 4.570 -0.410 0.000 0.279 168 c C 1.024 175.140 174.090 0.043 0.000 1.305 168 c CA 3.481 59.693 56.329 -0.195 0.000 1.757 168 c CB -1.955 40.561 42.510 0.009 0.000 1.962 168 c HN 0.419 8.486 8.230 -0.271 0.000 0.499 169 N N -2.757 115.952 118.700 0.015 0.000 2.461 169 N HA -0.020 4.816 4.740 0.161 0.000 0.188 169 N C 0.341 175.898 175.510 0.078 0.000 1.134 169 N CA 0.667 53.769 53.050 0.086 0.000 0.878 169 N CB 0.072 38.593 38.487 0.056 0.000 0.972 169 N HN 0.232 8.462 8.380 -0.043 0.125 0.456 170 G N -0.204 108.622 108.800 0.042 0.000 2.544 170 G HA2 0.001 3.988 3.960 0.045 0.000 0.242 170 G HA3 0.001 3.993 3.960 0.053 0.000 0.242 170 G C -0.592 174.385 174.900 0.128 0.000 1.247 170 G CA -0.331 44.809 45.100 0.066 0.000 0.840 170 G HN -0.264 7.809 8.290 -0.036 0.196 0.578 171 A N 1.335 124.210 122.820 0.093 0.000 2.139 171 A HA -0.293 4.076 4.320 0.081 0.000 0.221 171 A C 0.328 177.961 177.584 0.081 0.000 1.159 171 A CA 2.340 54.424 52.037 0.080 0.000 0.662 171 A CB -0.245 18.785 19.000 0.051 0.000 0.796 171 A HN 0.461 8.653 8.150 0.070 0.000 0.463 172 D N -2.854 117.625 120.400 0.132 0.000 2.350 172 D HA 0.009 4.650 4.640 0.001 0.000 0.213 172 D C 0.018 176.321 176.300 0.005 0.000 1.031 172 D CA 0.712 54.759 54.000 0.078 0.000 0.861 172 D CB -0.012 40.856 40.800 0.114 0.000 0.926 172 D HN -0.030 8.386 8.370 0.172 0.057 0.520 173 F N 0.318 120.205 119.950 -0.106 0.000 2.276 173 F HA 0.554 5.141 4.527 -0.315 -0.249 0.213 173 F C -0.511 175.101 175.800 -0.312 0.000 1.098 173 F CA 0.879 58.743 58.000 -0.226 0.000 1.162 173 F CB 1.902 40.839 39.000 -0.105 0.000 1.511 173 F HN -0.182 8.134 8.300 0.328 0.181 0.540 174 Y N -4.330 116.126 120.300 0.260 0.000 3.246 174 Y HA -0.176 4.462 4.550 0.147 0.000 0.313 174 Y C 0.277 176.261 175.900 0.140 0.000 1.468 174 Y CA 1.297 59.499 58.100 0.170 0.000 0.824 174 Y CB 2.356 40.919 38.460 0.171 0.000 1.144 174 Y HN -0.113 8.408 8.280 0.402 0.000 0.790 175 Q N -6.956 112.945 119.800 0.169 0.000 2.523 175 Q HA -0.259 4.135 4.340 0.091 0.000 0.158 175 Q C -0.536 175.581 176.000 0.196 0.000 0.566 175 Q CA 1.096 56.999 55.803 0.167 0.000 1.297 175 Q CB -0.487 28.400 28.738 0.249 0.000 0.964 175 Q HN -0.034 8.395 8.270 0.223 -0.025 1.099 176 I N 0.210 120.881 120.570 0.169 0.000 2.308 176 I HA -0.083 4.187 4.170 0.168 0.000 0.293 176 I C -0.267 175.904 176.117 0.091 0.000 1.078 176 I CA -1.881 59.494 61.300 0.126 0.000 1.292 176 I CB -2.017 36.031 38.000 0.079 0.000 1.423 176 I HN -0.365 8.216 8.210 0.164 -0.273 0.493 177 K N 7.364 127.819 120.400 0.091 0.000 2.102 177 K HA 0.290 4.637 4.320 0.045 0.000 0.244 177 K C -0.839 175.794 176.600 0.056 0.000 1.021 177 K CA -3.277 53.044 56.287 0.057 0.000 0.913 177 K CB -0.962 31.564 32.500 0.044 0.000 1.062 177 K HN -0.674 7.650 8.250 0.124 0.000 0.485 178 P HA -0.143 4.297 4.420 0.033 0.000 0.226 178 P C -0.867 176.457 177.300 0.040 0.000 1.153 178 P CA 1.825 64.942 63.100 0.028 0.000 0.777 178 P CB 0.285 31.986 31.700 0.003 0.000 0.794 179 K N -3.849 116.584 120.400 0.054 0.000 2.811 179 K HA 0.426 4.989 4.320 0.064 -0.204 0.217 179 K C -0.974 175.739 176.600 0.188 0.000 1.115 179 K CA -1.338 55.004 56.287 0.092 0.000 1.179 179 K CB -0.873 31.656 32.500 0.049 0.000 0.994 179 K HN 0.126 8.370 8.250 0.052 0.036 0.464 180 M N -2.821 116.874 119.600 0.159 0.000 2.618 180 M HA 0.806 5.506 4.480 0.147 -0.131 0.281 180 M C -2.060 174.345 176.300 0.175 0.000 1.267 180 M CA -0.773 54.604 55.300 0.127 0.000 0.845 180 M CB 4.305 36.943 32.600 0.064 0.000 1.732 180 M HN -0.740 7.544 8.290 0.129 0.083 0.461 181 F N -7.202 112.720 119.950 -0.047 0.000 2.686 181 F HA 0.661 5.145 4.527 -0.071 0.000 0.311 181 F C -2.611 173.131 175.800 -0.096 0.000 1.128 181 F CA -1.853 56.097 58.000 -0.084 0.000 0.946 181 F CB 2.297 41.229 39.000 -0.113 0.000 1.336 181 F HN 0.153 8.261 8.300 -0.321 0.000 0.457 182 c N -0.774 117.854 118.600 0.048 0.000 2.397 182 c HA 1.068 5.764 4.570 -0.150 -0.216 0.343 182 c C -1.102 173.020 174.090 0.055 0.000 1.188 182 c CA -1.683 54.629 56.329 -0.028 0.000 1.992 182 c CB 2.838 45.369 42.510 0.034 0.000 2.358 182 c HN 0.866 9.202 8.230 0.178 0.000 0.518 183 A N 1.410 124.250 122.820 0.035 0.000 2.402 183 A HA 0.784 5.265 4.320 0.012 -0.154 0.291 183 A C -2.316 175.302 177.584 0.056 0.000 1.051 183 A CA -0.804 51.232 52.037 -0.002 0.000 0.716 183 A CB 3.171 22.026 19.000 -0.242 0.000 1.223 183 A HN 0.726 8.934 8.150 0.097 0.000 0.425 184 Y N 2.844 123.209 120.300 0.108 0.000 2.316 184 Y HA 0.123 4.731 4.550 0.097 0.000 0.331 184 Y C -1.372 174.591 175.900 0.104 0.000 1.083 184 Y CA -2.022 56.134 58.100 0.094 0.000 1.206 184 Y CB 0.590 39.088 38.460 0.063 0.000 1.195 184 Y HN 0.676 9.094 8.280 0.229 0.000 0.497 185 P HA -0.150 4.436 4.420 0.276 0.000 0.301 185 P C -0.921 176.434 177.300 0.093 0.000 1.445 185 P CA 0.753 63.987 63.100 0.224 0.000 0.741 185 P CB -1.786 30.071 31.700 0.262 0.000 1.426 190 A N -1.058 121.822 122.820 0.100 0.000 2.252 190 A HA 0.318 4.765 4.320 0.072 -0.084 0.305 190 A C -1.724 175.885 177.584 0.041 0.000 1.097 190 A CA -0.916 51.163 52.037 0.070 0.000 0.849 190 A CB 1.995 21.032 19.000 0.061 0.000 1.142 190 A HN 0.266 8.480 8.150 0.106 0.000 0.499 191 c N -2.786 115.835 118.600 0.034 0.000 3.276 191 c HA 0.272 4.867 4.570 0.042 0.000 0.370 191 c C -1.492 172.611 174.090 0.021 0.000 1.624 191 c CA -0.785 55.562 56.329 0.029 0.000 1.179 191 c CB 3.519 46.041 42.510 0.020 0.000 1.909 191 c HN 0.142 8.678 8.230 0.039 -0.283 0.434 192 Q N 2.104 121.893 119.800 -0.018 0.000 2.320 192 Q HA -0.344 4.011 4.340 0.025 0.000 0.311 192 Q C 0.607 176.630 176.000 0.038 0.000 1.083 192 Q CA 2.223 58.016 55.803 -0.017 0.000 1.001 192 Q CB 0.380 29.039 28.738 -0.132 0.000 1.074 192 Q HN 0.671 8.909 8.270 -0.054 0.000 0.379 193 G N 6.164 115.020 108.800 0.093 0.000 2.238 193 G HA2 -0.387 3.882 3.960 0.196 0.000 0.217 193 G HA3 -0.387 3.712 3.960 0.232 0.000 0.217 193 G C 0.630 175.694 174.900 0.273 0.000 0.996 193 G CA 0.849 46.075 45.100 0.209 0.000 0.632 193 G HN 0.795 9.134 8.290 0.082 0.000 0.503 194 D N 1.315 121.808 120.400 0.156 0.000 2.346 194 D HA 0.116 4.875 4.640 0.198 0.000 0.206 194 D C 0.147 176.506 176.300 0.099 0.000 1.001 194 D CA 0.793 54.877 54.000 0.141 0.000 0.871 194 D CB 0.737 41.587 40.800 0.085 0.000 0.943 194 D HN 0.184 8.535 8.370 0.107 0.083 0.518 195 S N -0.302 115.437 115.700 0.066 0.000 2.561 195 S HA -0.551 4.091 4.470 0.018 -0.162 0.294 195 S C 0.935 175.501 174.600 -0.057 0.000 1.294 195 S CA 2.712 60.917 58.200 0.008 0.000 1.055 195 S CB 0.187 63.392 63.200 0.007 0.000 0.819 195 S HN -0.462 7.857 8.310 0.083 0.041 0.503 196 G N 4.669 113.427 108.800 -0.070 0.000 2.268 196 G HA2 -0.450 3.543 3.960 -0.066 0.000 0.240 196 G HA3 -0.450 3.577 3.960 -0.068 -0.108 0.240 196 G C -0.022 174.917 174.900 0.064 0.000 1.010 196 G CA 0.143 45.218 45.100 -0.041 0.000 0.618 196 G HN 0.844 9.098 8.290 -0.059 0.000 0.516 197 G N 1.159 110.019 108.800 0.100 0.000 2.653 197 G HA2 0.280 4.408 3.960 0.173 0.000 0.265 197 G HA3 0.280 4.330 3.960 0.150 0.000 0.265 197 G C -2.604 172.402 174.900 0.176 0.000 1.237 197 G CA -1.775 43.416 45.100 0.152 0.000 0.946 197 G HN -0.249 7.979 8.290 0.081 0.110 0.522 198 P HA 0.193 4.729 4.420 0.193 0.000 0.284 198 P C -2.046 175.361 177.300 0.179 0.000 1.253 198 P CA -0.713 62.498 63.100 0.185 0.000 0.800 198 P CB 1.173 33.002 31.700 0.216 0.000 0.961 199 F N 4.839 124.811 119.950 0.036 0.000 2.500 199 F HA 0.660 5.308 4.527 -0.099 -0.180 0.349 199 F C -2.573 173.201 175.800 -0.043 0.000 1.127 199 F CA -2.098 55.867 58.000 -0.059 0.000 0.998 199 F CB 2.929 41.828 39.000 -0.169 0.000 1.237 199 F HN -0.363 8.093 8.300 0.261 0.000 0.439 200 V N 3.326 122.995 119.914 -0.409 0.000 2.680 200 V HA 0.944 5.142 4.120 -0.147 -0.167 0.309 200 V C -1.954 173.949 176.094 -0.318 0.000 1.052 200 V CA -3.177 58.968 62.300 -0.259 0.000 0.908 200 V CB 2.720 34.476 31.823 -0.112 0.000 1.001 200 V HN 0.707 8.568 8.190 -0.549 0.000 0.431 201 c N 4.635 123.130 118.600 -0.175 0.000 2.561 201 c HA 0.386 4.869 4.570 -0.146 0.000 0.319 201 c C -1.465 172.598 174.090 -0.045 0.000 1.198 201 c CA -0.996 55.261 56.329 -0.120 0.000 1.665 201 c CB 2.483 44.941 42.510 -0.087 0.000 2.258 201 c HN 0.237 8.394 8.230 -0.122 0.000 0.493 202 E N 1.851 122.046 120.200 -0.008 0.000 2.179 202 E HA 0.237 4.798 4.350 0.009 -0.206 0.275 202 E C -1.561 175.042 176.600 0.004 0.000 0.945 202 E CA -0.976 55.434 56.400 0.017 0.000 0.792 202 E CB 2.347 32.081 29.700 0.057 0.000 1.125 202 E HN 0.484 8.838 8.360 -0.010 0.000 0.397 203 D N 3.809 124.211 120.400 0.002 0.000 2.596 203 D HA 0.193 4.834 4.640 0.002 0.000 0.262 203 D C -1.215 175.088 176.300 0.004 0.000 1.210 203 D CA -1.189 52.811 54.000 -0.000 0.000 0.873 203 D CB 2.491 43.286 40.800 -0.008 0.000 1.408 203 D HN -0.060 8.311 8.370 0.003 0.000 0.441 204 S N -1.327 114.375 115.700 0.004 0.000 2.711 204 S HA 0.382 4.981 4.470 0.007 -0.125 0.247 204 S C 1.068 175.669 174.600 0.003 0.000 1.079 204 S CA -0.360 57.843 58.200 0.005 0.000 1.050 204 S CB 0.066 63.269 63.200 0.006 0.000 0.885 204 S HN 0.246 8.557 8.310 0.002 0.000 0.498 205 I N -2.475 118.095 120.570 0.001 0.000 2.614 205 I HA -0.129 4.041 4.170 -0.000 0.000 0.258 205 I C 0.015 176.133 176.117 0.002 0.000 1.189 205 I CA 2.433 63.733 61.300 0.000 0.000 1.462 205 I CB -0.269 37.730 38.000 -0.001 0.000 1.092 205 I HN -0.410 8.004 8.210 -0.000 -0.204 0.442 206 S N -0.975 114.727 115.700 0.004 0.000 2.622 206 S HA -0.013 4.459 4.470 0.004 0.000 0.236 206 S C -0.229 174.375 174.600 0.005 0.000 0.956 206 S CA -0.508 57.695 58.200 0.005 0.000 0.971 206 S CB 0.964 64.169 63.200 0.007 0.000 0.782 206 S HN -0.341 7.939 8.310 0.004 0.032 0.468 207 R N -2.801 117.701 120.500 0.005 0.000 3.936 207 R HA -0.416 3.980 4.340 0.004 -0.054 0.366 207 R C -1.529 174.775 176.300 0.007 0.000 1.158 207 R CA 1.420 57.523 56.100 0.005 0.000 0.969 207 R CB -2.066 28.236 30.300 0.004 0.000 1.504 207 R HN -0.165 7.886 8.270 0.004 0.220 0.538 208 R N -7.041 113.352 120.500 -0.179 0.000 3.570 208 R HA 0.051 4.345 4.340 -0.205 -0.077 0.270 208 R C -2.554 173.656 176.300 -0.150 0.000 0.980 208 R CA -0.496 55.507 56.100 -0.161 0.000 0.944 208 R CB 1.740 31.997 30.300 -0.072 0.000 1.278 208 R HN -0.082 8.113 8.270 -0.125 0.000 0.549 209 L N 2.158 123.310 121.223 -0.119 0.000 2.295 209 L HA 0.212 4.639 4.340 -0.044 -0.114 0.288 209 L C -0.672 176.236 176.870 0.063 0.000 1.079 209 L CA -0.366 54.453 54.840 -0.036 0.000 0.830 209 L CB 0.240 42.279 42.059 -0.033 0.000 1.200 209 L HN 0.549 8.709 8.230 -0.117 0.000 0.438 210 C N 6.079 125.469 119.300 0.150 0.000 2.611 210 C HA 0.226 4.754 4.460 0.114 0.000 0.282 210 C C -0.331 174.877 174.990 0.364 0.000 1.321 210 C CA 0.485 59.625 59.018 0.202 0.000 1.747 210 C CB 1.376 29.232 27.740 0.192 0.000 2.124 210 C HN 0.418 8.744 8.230 0.160 0.000 0.531 211 G N -2.273 106.806 108.800 0.466 0.000 2.695 211 G HA2 0.578 5.020 3.960 0.414 0.000 0.290 211 G HA3 0.578 4.746 3.960 0.346 0.000 0.290 211 G C -3.331 171.759 174.900 0.316 0.000 1.410 211 G CA -0.492 44.856 45.100 0.414 0.000 0.844 211 G HN -0.432 8.136 8.290 0.463 0.000 0.478 212 I N -1.007 119.702 120.570 0.231 0.000 2.436 212 I HA 0.527 5.012 4.170 0.193 -0.200 0.289 212 I C -0.361 175.822 176.117 0.111 0.000 1.010 212 I CA -1.414 59.978 61.300 0.153 0.000 1.098 212 I CB 3.801 41.816 38.000 0.025 0.000 1.266 212 I HN -0.327 8.067 8.210 0.171 -0.081 0.434 213 V N 8.922 128.902 119.914 0.109 0.000 2.475 213 V HA -0.255 3.468 4.120 -0.663 0.000 0.292 213 V C -0.945 175.033 176.094 -0.195 0.000 1.003 213 V CA 2.277 64.469 62.300 -0.181 0.000 1.120 213 V CB -1.135 30.681 31.823 -0.012 0.000 0.937 213 V HN 0.339 8.635 8.190 0.177 0.000 0.476 214 S N 8.092 123.585 115.700 -0.345 0.000 2.979 214 S HA 0.289 4.841 4.470 0.135 0.000 0.243 214 S C -1.386 173.256 174.600 0.070 0.000 1.036 214 S CA 0.510 58.692 58.200 -0.030 0.000 0.846 214 S CB 2.662 65.861 63.200 -0.002 0.000 0.806 214 S HN 0.282 8.158 8.310 -0.723 0.000 0.568 215 W N -3.406 117.704 121.300 -0.316 0.000 2.826 215 W HA 0.230 4.764 4.660 -0.209 0.000 0.410 215 W C -2.916 173.445 176.519 -0.264 0.000 1.128 215 W CA -0.564 56.623 57.345 -0.264 0.000 1.176 215 W CB 1.738 31.038 29.460 -0.267 0.000 1.475 215 W HN -0.043 7.746 8.180 -0.651 0.000 0.588 216 G N -2.707 106.126 108.800 0.056 0.000 2.356 216 G HA2 0.247 3.976 3.960 -0.385 0.000 0.294 216 G HA3 0.247 4.158 3.960 -0.082 0.000 0.294 216 G C -2.117 172.939 174.900 0.260 0.000 1.423 216 G CA 0.291 45.370 45.100 -0.035 0.000 0.806 216 G HN 0.065 8.567 8.290 0.354 0.000 0.527 220 c N 2.273 120.895 118.600 0.036 0.000 3.421 220 c HA 0.301 5.058 4.570 0.071 -0.145 0.194 220 c C -1.710 172.406 174.090 0.043 0.000 1.418 220 c CA -0.710 55.669 56.329 0.083 0.000 1.226 220 c CB -1.421 41.179 42.510 0.150 0.000 1.875 220 c HN 0.018 8.213 8.230 -0.059 0.000 0.561 221 L N 0.079 121.291 121.223 -0.017 0.000 3.196 221 L HA 0.051 4.364 4.340 -0.047 0.000 0.224 221 L C -1.936 174.885 176.870 -0.081 0.000 0.998 221 L CA 0.162 54.967 54.840 -0.058 0.000 1.067 221 L CB 2.239 44.242 42.059 -0.094 0.000 1.467 221 L HN 0.286 8.507 8.230 -0.014 0.000 0.412 222 A N -0.939 121.819 122.820 -0.103 0.000 2.371 222 A HA 0.072 4.460 4.320 -0.086 -0.119 0.257 222 A C 0.180 177.585 177.584 -0.298 0.000 1.089 222 A CA 0.825 52.780 52.037 -0.138 0.000 0.794 222 A CB 0.522 19.456 19.000 -0.110 0.000 1.029 222 A HN 0.218 8.313 8.150 -0.092 0.000 0.488 223 Q N -3.644 115.872 119.800 -0.474 0.000 2.348 223 Q HA -0.479 2.690 4.340 -1.953 0.000 0.221 223 Q C -0.845 174.608 176.000 -0.912 0.000 0.735 223 Q CA 1.830 56.959 55.803 -1.122 0.000 1.351 223 Q CB -1.538 26.629 28.738 -0.951 0.000 1.640 223 Q HN 0.335 8.299 8.270 -0.328 0.110 0.667 224 K N -2.606 117.506 120.400 -0.480 0.000 2.954 224 K HA 0.536 4.322 4.320 -0.891 0.000 0.171 224 K C -2.192 174.392 176.600 -0.028 0.000 1.079 224 K CA -2.910 53.124 56.287 -0.422 0.000 0.908 224 K CB 0.112 32.440 32.500 -0.286 0.000 1.142 224 K HN -0.817 7.160 8.250 -0.329 0.076 0.613 225 P HA -0.040 4.449 4.420 0.115 0.000 0.282 225 P C -0.754 176.613 177.300 0.113 0.000 1.286 225 P CA -0.239 62.959 63.100 0.163 0.000 0.777 225 P CB 1.235 33.070 31.700 0.225 0.000 1.184 226 G N -3.286 105.532 108.800 0.030 0.000 2.425 226 G HA2 0.500 4.283 3.960 -0.296 0.000 0.302 226 G HA3 0.500 4.345 3.960 -0.192 0.000 0.302 226 G C -1.886 172.745 174.900 -0.449 0.000 1.159 226 G CA -1.167 43.799 45.100 -0.223 0.000 0.865 226 G HN -0.188 8.166 8.290 0.106 0.000 0.515 227 V N 2.078 121.430 119.914 -0.938 0.000 2.417 227 V HA 0.661 4.535 4.120 -0.710 -0.180 0.291 227 V C -1.111 174.301 176.094 -1.137 0.000 1.024 227 V CA -1.104 60.561 62.300 -1.060 0.000 0.861 227 V CB 1.470 32.196 31.823 -1.829 0.000 0.985 227 V HN 0.572 8.163 8.190 -0.997 0.000 0.436 228 Y N 5.484 125.262 120.300 -0.870 0.000 2.549 228 Y HA 0.658 5.069 4.550 -0.496 -0.158 0.339 228 Y C 0.441 176.021 175.900 -0.534 0.000 1.053 228 Y CA -2.298 55.325 58.100 -0.794 0.000 1.105 228 Y CB 3.774 41.422 38.460 -1.354 0.000 1.258 228 Y HN 1.134 8.870 8.280 -0.727 0.107 0.478 229 T N 4.097 118.582 114.554 -0.116 0.000 2.869 229 T HA 0.057 4.435 4.350 0.046 0.000 0.295 229 T C -1.207 173.615 174.700 0.203 0.000 0.987 229 T CA 0.955 63.065 62.100 0.016 0.000 1.109 229 T CB 0.854 69.662 68.868 -0.101 0.000 0.932 229 T HN 0.498 8.685 8.240 -0.089 0.000 0.518 230 K N 6.985 127.603 120.400 0.364 0.000 2.263 230 K HA 0.143 4.951 4.320 0.583 -0.138 0.282 230 K C 1.233 178.074 176.600 0.403 0.000 1.089 230 K CA -0.795 55.754 56.287 0.437 0.000 0.907 230 K CB 0.651 33.351 32.500 0.333 0.000 1.148 230 K HN -0.038 8.334 8.250 0.360 0.094 0.470 231 V N 7.575 127.681 119.914 0.320 0.000 2.407 231 V HA -0.520 3.829 4.120 0.382 0.000 0.248 231 V C 1.325 177.555 176.094 0.227 0.000 1.055 231 V CA 3.799 66.271 62.300 0.286 0.000 1.049 231 V CB -0.115 31.810 31.823 0.170 0.000 0.662 231 V HN 0.073 8.451 8.190 0.315 0.000 0.455 232 S N -1.023 114.753 115.700 0.127 0.000 2.402 232 S HA -0.338 4.163 4.470 0.051 0.000 0.233 232 S C 1.518 176.128 174.600 0.016 0.000 1.030 232 S CA 3.237 61.470 58.200 0.055 0.000 1.003 232 S CB -0.585 62.624 63.200 0.014 0.000 0.813 232 S HN 0.406 8.785 8.310 0.116 0.000 0.477 233 D N 1.106 121.489 120.400 -0.029 0.000 2.363 233 D HA -0.080 4.446 4.640 -0.190 0.000 0.226 233 D C 0.202 176.183 176.300 -0.532 0.000 1.020 233 D CA 1.635 55.467 54.000 -0.280 0.000 0.892 233 D CB -0.308 40.238 40.800 -0.424 0.000 0.900 233 D HN -0.517 7.862 8.370 0.058 0.026 0.531 234 F N -3.546 116.426 119.950 0.036 0.000 2.729 234 F HA 0.202 4.808 4.527 0.132 0.000 0.315 234 F C 0.280 176.118 175.800 0.063 0.000 1.102 234 F CA -0.544 57.508 58.000 0.086 0.000 1.204 234 F CB 0.853 39.890 39.000 0.062 0.000 1.052 234 F HN -0.070 8.129 8.300 0.166 0.201 0.551 235 R N 0.818 121.364 120.500 0.077 0.000 2.112 235 R HA -0.497 3.637 4.340 -0.342 0.000 0.242 235 R C 1.588 177.741 176.300 -0.245 0.000 1.137 235 R CA 4.891 60.886 56.100 -0.175 0.000 0.944 235 R CB -0.531 29.746 30.300 -0.040 0.000 0.857 235 R HN -0.895 7.415 8.270 0.066 0.000 0.435 236 E N -1.918 118.317 120.200 0.058 0.000 2.153 236 E HA -0.258 4.283 4.350 0.319 0.000 0.194 236 E C 1.730 178.414 176.600 0.139 0.000 0.988 236 E CA 2.961 59.462 56.400 0.169 0.000 0.811 236 E CB -1.130 28.663 29.700 0.154 0.000 0.746 236 E HN 0.283 8.690 8.360 0.080 0.000 0.466 237 W N -0.737 120.569 121.300 0.010 0.000 2.355 237 W HA -0.234 4.433 4.660 0.011 0.000 0.309 237 W C 1.568 178.055 176.519 -0.054 0.000 1.206 237 W CA 3.284 60.643 57.345 0.024 0.000 1.284 237 W CB 0.018 29.577 29.460 0.165 0.000 1.145 237 W HN -0.454 7.818 8.180 0.323 0.102 0.502 238 I N -1.211 119.394 120.570 0.058 0.000 2.142 238 I HA -0.674 3.275 4.170 -0.367 0.000 0.240 238 I C 2.033 177.938 176.117 -0.353 0.000 1.078 238 I CA 4.516 65.665 61.300 -0.253 0.000 1.343 238 I CB -0.176 37.678 38.000 -0.243 0.000 1.046 238 I HN 0.161 8.507 8.210 0.227 0.000 0.405 239 F N -1.843 118.029 119.950 -0.130 0.000 2.095 239 F HA -0.463 3.948 4.527 -0.193 0.000 0.298 239 F C 2.290 177.958 175.800 -0.220 0.000 1.104 239 F CA 2.640 60.543 58.000 -0.162 0.000 1.232 239 F CB -1.346 37.604 39.000 -0.084 0.000 0.987 239 F HN -0.048 7.922 8.300 -0.550 0.000 0.475 240 Q N 0.216 119.994 119.800 -0.035 0.000 1.975 240 Q HA -0.472 3.816 4.340 -0.087 0.000 0.205 240 Q C 2.770 178.609 176.000 -0.268 0.000 0.990 240 Q CA 3.069 58.785 55.803 -0.144 0.000 0.845 240 Q CB 0.017 28.661 28.738 -0.156 0.000 0.913 240 Q HN -0.050 8.223 8.270 0.005 0.000 0.420 241 A N 0.496 123.047 122.820 -0.448 0.000 1.915 241 A HA -0.312 4.020 4.320 -0.197 -0.129 0.220 241 A C 2.203 179.571 177.584 -0.360 0.000 1.198 241 A CA 3.040 54.806 52.037 -0.451 0.000 0.647 241 A CB -0.757 17.689 19.000 -0.923 0.000 0.825 241 A HN 0.098 7.867 8.150 -0.564 0.042 0.456 242 I N -3.602 116.647 120.570 -0.536 0.000 2.315 242 I HA -0.554 3.064 4.170 -0.920 0.000 0.248 242 I C 1.802 177.785 176.117 -0.223 0.000 1.117 242 I CA 3.946 64.863 61.300 -0.638 0.000 1.404 242 I CB -0.330 37.184 38.000 -0.809 0.000 1.071 242 I HN -0.163 7.721 8.210 -0.525 0.011 0.419 243 K N 0.347 120.641 120.400 -0.176 0.000 1.967 243 K HA -0.317 3.973 4.320 -0.051 0.000 0.212 243 K C 2.546 179.073 176.600 -0.120 0.000 1.044 243 K CA 3.474 59.701 56.287 -0.099 0.000 0.942 243 K CB -0.208 32.238 32.500 -0.091 0.000 0.726 243 K HN -0.394 7.650 8.250 -0.199 0.086 0.440 244 T N 0.282 114.712 114.554 -0.207 0.000 2.624 244 T HA -0.372 3.810 4.350 -0.280 0.000 0.266 244 T C 1.825 176.268 174.700 -0.428 0.000 1.050 244 T CA 3.923 65.802 62.100 -0.368 0.000 1.163 244 T CB 0.057 68.615 68.868 -0.516 0.000 0.861 244 T HN 0.023 8.140 8.240 -0.205 0.000 0.443 245 H N -1.932 117.115 119.070 -0.039 0.000 2.488 245 H HA 0.368 4.943 4.556 0.033 0.000 0.294 245 H C 0.730 176.136 175.328 0.130 0.000 1.088 245 H CA -1.323 54.750 56.048 0.043 0.000 1.086 245 H CB -0.514 29.270 29.762 0.038 0.000 1.569 245 H HN -0.079 8.012 8.280 -0.131 0.110 0.548 246 S N 0.705 116.519 115.700 0.189 0.000 2.400 246 S HA -0.318 4.264 4.470 0.186 0.000 0.232 246 S C -0.155 174.580 174.600 0.226 0.000 1.025 246 S CA 4.648 62.966 58.200 0.197 0.000 0.993 246 S CB 0.315 63.623 63.200 0.181 0.000 0.808 246 S HN -0.609 7.695 8.310 0.097 0.064 0.478 247 E N -2.716 117.585 120.200 0.168 0.000 2.499 247 E HA 0.096 4.538 4.350 0.152 0.000 0.207 247 E C -1.671 175.009 176.600 0.133 0.000 1.034 247 E CA -1.722 54.761 56.400 0.138 0.000 1.098 247 E CB -1.389 28.360 29.700 0.081 0.000 1.148 247 E HN 0.162 8.576 8.360 0.131 0.025 0.447 248 A N 0.569 123.501 122.820 0.186 0.000 2.294 248 A HA 0.246 4.637 4.320 0.117 0.000 0.330 248 A C -1.620 176.032 177.584 0.114 0.000 1.133 248 A CA -0.505 51.624 52.037 0.153 0.000 0.836 248 A CB 1.267 20.390 19.000 0.205 0.000 1.190 248 A HN -0.575 7.576 8.150 0.245 0.146 0.492 249 S N 0.935 116.675 115.700 0.067 0.000 2.536 249 S HA 0.320 5.008 4.470 0.023 -0.205 0.287 249 S C -0.317 174.298 174.600 0.025 0.000 1.101 249 S CA -0.936 57.283 58.200 0.031 0.000 0.950 249 S CB 1.987 65.197 63.200 0.017 0.000 1.056 249 S HN -0.104 8.245 8.310 0.066 0.000 0.481 250 G N 6.813 115.621 108.800 0.013 0.000 2.466 250 G HA2 -0.172 3.796 3.960 0.015 0.000 0.316 250 G HA3 -0.172 3.798 3.960 0.017 0.000 0.316 250 G C -2.295 172.605 174.900 0.000 0.000 1.270 250 G CA -0.492 44.615 45.100 0.012 0.000 0.982 250 G HN 0.406 8.700 8.290 0.006 0.000 0.506 251 M N 1.134 120.741 119.600 0.011 0.000 2.066 251 M HA 0.624 5.278 4.480 0.004 -0.172 0.340 251 M C 0.187 176.493 176.300 0.010 0.000 1.053 251 M CA -1.189 54.129 55.300 0.031 0.000 0.983 251 M CB -0.214 32.439 32.600 0.087 0.000 1.520 251 M HN 0.083 8.385 8.290 0.021 0.000 0.428 252 V N 3.829 123.702 119.914 -0.068 0.000 3.046 252 V HA 0.709 4.761 4.120 -0.113 0.000 0.316 252 V C -2.281 173.614 176.094 -0.333 0.000 1.104 252 V CA -2.459 59.736 62.300 -0.175 0.000 1.006 252 V CB 4.506 36.176 31.823 -0.256 0.000 1.058 252 V HN 0.834 8.877 8.190 -0.067 0.107 0.440 253 T N -0.803 113.521 114.554 -0.383 0.000 2.876 253 T HA 0.679 4.852 4.350 -0.637 -0.206 0.289 253 T C -1.460 173.118 174.700 -0.203 0.000 1.014 253 T CA -2.403 59.381 62.100 -0.526 0.000 0.986 253 T CB 2.238 70.695 68.868 -0.684 0.000 1.021 253 T HN -0.042 8.045 8.240 -0.254 0.000 0.458 254 Q N 4.588 124.366 119.800 -0.036 0.000 2.397 254 Q HA 0.420 4.788 4.340 0.046 0.000 0.275 254 Q C -2.421 173.717 176.000 0.230 0.000 1.090 254 Q CA -1.546 54.301 55.803 0.074 0.000 0.809 254 Q CB 3.771 32.443 28.738 -0.111 0.000 1.362 254 Q HN 0.555 8.857 8.270 0.052 0.000 0.431 255 L N 0.000 121.318 121.223 0.158 0.000 2.949 255 L HA 0.000 4.275 4.340 -0.109 0.000 0.249 255 L CA 0.000 54.896 54.840 0.093 0.000 0.813 255 L CB 0.000 42.139 42.059 0.134 0.000 0.961 255 L HN 0.000 8.300 8.230 0.117 0.000 0.502