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 2eyy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAGNFDSEER SSWYWGRLSR QEAVALLQGQ RHGVFLVRDS STSPGDYVLS DATA SEQUENCE VSENSRVSHY IINSSGPRPP VPPSPAQPPP GVSPSRLRIG DQEFDSLPAL DATA SEQUENCE LEFYKIHYLD TTTLIEPVSR SRQGSGVILR QEEAEYVRAL FDFNGNDEED DATA SEQUENCE LPFKKGDILR IRDKPEEQWW NAEDSEGKRG MIPVPYVEKY RPASASVSAL DATA SEQUENCE IGGN 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 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.319 176.300 0.031 0.000 1.140 1 M CA 0.000 55.307 55.300 0.012 0.000 0.988 1 M CB 0.000 32.614 32.600 0.023 0.000 1.302 2 A N -0.427 122.436 122.820 0.071 0.000 2.009 2 A HA 0.395 4.780 4.320 0.109 0.000 0.197 2 A C -0.484 177.288 177.584 0.314 0.000 1.471 2 A CA -0.071 52.058 52.037 0.153 0.000 0.973 2 A CB 1.600 20.622 19.000 0.037 0.000 1.020 2 A HN 0.463 8.657 8.150 0.075 0.000 0.476 3 G N -1.479 107.520 108.800 0.333 0.000 2.302 3 G HA2 -0.161 3.863 3.960 0.106 0.000 0.264 3 G HA3 -0.161 3.880 3.960 0.136 0.000 0.264 3 G C -2.375 172.654 174.900 0.215 0.000 1.335 3 G CA -0.617 44.608 45.100 0.209 0.000 0.982 3 G HN -0.366 8.085 8.290 0.270 0.000 0.473 4 N N 0.855 119.521 118.700 -0.057 0.000 2.414 4 N HA 0.088 4.876 4.740 0.080 0.000 0.256 4 N C -0.668 174.667 175.510 -0.291 0.000 1.029 4 N CA 0.110 53.120 53.050 -0.066 0.000 0.948 4 N CB 0.281 38.710 38.487 -0.096 0.000 1.102 4 N HN -0.047 8.239 8.380 -0.157 0.000 0.496 5 F N 4.734 124.687 119.950 0.005 0.000 2.212 5 F HA 0.129 4.663 4.527 0.011 0.000 0.262 5 F C -0.047 175.771 175.800 0.030 0.000 0.906 5 F CA 0.897 58.904 58.000 0.012 0.000 1.127 5 F CB 1.402 40.404 39.000 0.005 0.000 1.178 5 F HN 0.433 8.906 8.300 0.289 0.000 0.779 6 D N 1.175 121.727 120.400 0.253 0.000 2.381 6 D HA 0.263 5.010 4.640 0.178 0.000 0.235 6 D C -0.366 176.028 176.300 0.158 0.000 1.068 6 D CA -0.241 53.878 54.000 0.199 0.000 0.832 6 D CB 1.410 42.351 40.800 0.234 0.000 1.101 6 D HN -0.274 8.266 8.370 0.283 0.000 0.515 7 S N 3.543 119.309 115.700 0.110 0.000 2.420 7 S HA -0.277 4.220 4.470 0.045 0.000 0.237 7 S C 0.606 175.251 174.600 0.075 0.000 1.023 7 S CA 2.513 60.751 58.200 0.063 0.000 0.991 7 S CB 0.461 63.680 63.200 0.031 0.000 0.792 7 S HN 0.505 8.875 8.310 0.101 0.000 0.488 8 E N -3.835 116.467 120.200 0.170 0.000 2.413 8 E HA 0.011 4.427 4.350 0.110 0.000 0.203 8 E C -0.874 176.049 176.600 0.539 0.000 0.957 8 E CA -0.811 55.760 56.400 0.286 0.000 0.950 8 E CB 0.424 30.241 29.700 0.194 0.000 0.957 8 E HN 0.153 8.594 8.360 0.202 0.040 0.497 9 E N -2.543 117.922 120.200 0.441 0.000 6.621 9 E HA -0.352 4.063 4.350 0.108 0.000 0.289 9 E C -0.062 176.492 176.600 -0.078 0.000 1.257 9 E CA 0.349 56.866 56.400 0.194 0.000 1.311 9 E CB 0.376 30.129 29.700 0.089 0.000 0.936 9 E HN 0.096 8.546 8.360 0.369 0.131 0.298 10 R N 4.096 124.194 120.500 -0.669 0.000 2.062 10 R HA -0.163 2.394 4.340 -3.144 -0.104 0.229 10 R C 1.775 177.435 176.300 -1.066 0.000 1.128 10 R CA 2.384 57.532 56.100 -1.587 0.000 0.960 10 R CB -0.200 29.422 30.300 -1.130 0.000 0.855 10 R HN 0.387 8.458 8.270 -0.333 0.000 0.432 11 S N -2.583 112.669 115.700 -0.747 0.000 2.595 11 S HA -0.148 3.593 4.470 -1.216 0.000 0.235 11 S C 0.356 174.407 174.600 -0.914 0.000 0.974 11 S CA 1.262 58.941 58.200 -0.869 0.000 0.942 11 S CB -0.627 62.306 63.200 -0.445 0.000 0.766 11 S HN 0.118 8.110 8.310 -0.531 0.000 0.536 12 S N 0.025 115.358 115.700 -0.611 0.000 2.433 12 S HA 0.015 4.336 4.470 -0.249 0.000 0.216 12 S C 0.163 174.686 174.600 -0.129 0.000 1.031 12 S CA 2.870 60.906 58.200 -0.273 0.000 0.931 12 S CB 0.456 63.630 63.200 -0.044 0.000 0.875 12 S HN -0.768 7.011 8.310 -0.542 0.205 0.553 13 W N -2.208 118.917 121.300 -0.292 0.000 3.097 13 W HA 0.211 4.925 4.660 0.090 0.000 0.245 13 W C -2.007 174.544 176.519 0.054 0.000 1.120 13 W CA -1.198 56.132 57.345 -0.025 0.000 1.468 13 W CB 1.530 31.040 29.460 0.082 0.000 0.851 13 W HN -0.647 7.691 8.180 0.263 0.000 0.692 14 Y N -1.837 117.977 120.300 -0.810 0.000 2.491 14 Y HA 0.427 4.638 4.550 -0.564 0.000 0.334 14 Y C -1.298 174.406 175.900 -0.326 0.000 0.969 14 Y CA -2.252 55.424 58.100 -0.707 0.000 1.241 14 Y CB -0.461 37.471 38.460 -0.879 0.000 1.105 14 Y HN -0.814 7.271 8.280 -0.324 0.000 0.503 15 W N 5.973 127.138 121.300 -0.224 0.000 2.768 15 W HA 0.114 4.699 4.660 -0.296 -0.103 0.302 15 W C 0.172 176.642 176.519 -0.082 0.000 1.080 15 W CA 1.223 58.454 57.345 -0.191 0.000 1.611 15 W CB 0.766 30.158 29.460 -0.113 0.000 1.179 15 W HN -0.082 8.343 8.180 0.409 0.000 0.512 16 G N -4.038 104.916 108.800 0.257 0.000 5.312 16 G HA2 0.058 4.119 3.960 0.168 0.000 0.204 16 G HA3 0.058 4.098 3.960 0.133 0.000 0.204 16 G C -1.553 173.411 174.900 0.107 0.000 1.097 16 G CA -0.487 44.708 45.100 0.158 0.000 0.621 16 G HN -0.140 8.333 8.290 0.305 0.000 0.290 17 R N -2.892 117.674 120.500 0.110 0.000 3.407 17 R HA -0.377 4.008 4.340 0.075 0.000 0.637 17 R C -1.822 174.498 176.300 0.034 0.000 0.244 17 R CA 1.060 57.200 56.100 0.066 0.000 1.958 17 R CB -1.061 29.264 30.300 0.042 0.000 0.865 17 R HN -0.300 8.058 8.270 0.146 0.000 0.624 18 L N -8.078 113.159 121.223 0.023 0.000 2.827 18 L HA 0.257 4.594 4.340 -0.004 0.000 0.315 18 L C -2.052 174.819 176.870 0.002 0.000 0.769 18 L CA -0.816 54.024 54.840 0.001 0.000 1.120 18 L CB 0.262 42.309 42.059 -0.020 0.000 1.712 18 L HN -0.127 8.284 8.230 0.034 -0.160 0.343 19 S N 1.585 117.278 115.700 -0.012 0.000 2.462 19 S HA 0.419 4.867 4.470 -0.037 0.000 0.294 19 S C 1.327 175.919 174.600 -0.013 0.000 1.144 19 S CA -1.089 57.095 58.200 -0.026 0.000 1.088 19 S CB 2.262 65.440 63.200 -0.036 0.000 1.009 19 S HN 0.139 8.437 8.310 -0.019 0.000 0.484 20 R N 7.985 128.450 120.500 -0.057 0.000 2.208 20 R HA -0.513 3.975 4.340 0.246 0.000 0.262 20 R C 1.608 177.939 176.300 0.051 0.000 1.166 20 R CA 3.299 59.379 56.100 -0.034 0.000 0.987 20 R CB -1.508 28.520 30.300 -0.453 0.000 0.887 20 R HN 0.774 8.972 8.270 -0.121 0.000 0.459 21 Q N -1.437 118.357 119.800 -0.009 0.000 2.084 21 Q HA -0.282 4.063 4.340 0.009 0.000 0.202 21 Q C 2.270 178.268 176.000 -0.003 0.000 0.978 21 Q CA 3.087 58.888 55.803 -0.004 0.000 0.844 21 Q CB -0.917 27.808 28.738 -0.022 0.000 0.898 21 Q HN 0.330 8.546 8.270 -0.040 0.030 0.426 22 E N 0.856 121.047 120.200 -0.014 0.000 2.017 22 E HA -0.372 3.949 4.350 -0.048 0.000 0.193 22 E C 1.930 178.503 176.600 -0.045 0.000 0.997 22 E CA 3.123 59.500 56.400 -0.039 0.000 0.804 22 E CB -0.335 29.336 29.700 -0.050 0.000 0.757 22 E HN 0.587 8.819 8.360 -0.013 0.120 0.448 23 A N -0.726 122.088 122.820 -0.009 0.000 1.873 23 A HA -0.402 3.866 4.320 -0.086 0.000 0.218 23 A C 2.060 179.645 177.584 0.002 0.000 1.193 23 A CA 3.330 55.362 52.037 -0.009 0.000 0.629 23 A CB -0.616 18.432 19.000 0.080 0.000 0.826 23 A HN -0.676 7.488 8.150 0.023 0.000 0.447 24 V N -0.482 119.465 119.914 0.054 0.000 2.287 24 V HA -0.656 3.496 4.120 0.053 0.000 0.248 24 V C 1.864 177.961 176.094 0.004 0.000 1.053 24 V CA 4.548 66.877 62.300 0.048 0.000 1.027 24 V CB -0.165 31.701 31.823 0.071 0.000 0.646 24 V HN 0.309 8.442 8.190 0.094 0.114 0.447 25 A N -0.782 122.030 122.820 -0.013 0.000 1.903 25 A HA -0.286 4.021 4.320 -0.021 0.000 0.219 25 A C 1.889 179.443 177.584 -0.050 0.000 1.191 25 A CA 3.278 55.295 52.037 -0.032 0.000 0.638 25 A CB -0.577 18.397 19.000 -0.043 0.000 0.823 25 A HN 0.286 8.235 8.150 -0.007 0.197 0.451 26 L N -4.989 116.187 121.223 -0.078 0.000 2.102 26 L HA -0.152 4.132 4.340 -0.093 0.000 0.202 26 L C 2.307 179.134 176.870 -0.071 0.000 1.076 26 L CA 2.755 57.534 54.840 -0.103 0.000 0.761 26 L CB -0.228 41.717 42.059 -0.190 0.000 0.921 26 L HN -0.537 7.561 8.230 -0.082 0.083 0.444 27 L N 0.295 121.487 121.223 -0.051 0.000 1.976 27 L HA -0.515 3.803 4.340 -0.036 0.000 0.223 27 L C 2.444 179.290 176.870 -0.040 0.000 1.081 27 L CA 3.303 58.124 54.840 -0.033 0.000 0.784 27 L CB -1.222 40.838 42.059 0.001 0.000 0.896 27 L HN 0.773 8.851 8.230 -0.053 0.120 0.438 28 Q N -3.872 115.916 119.800 -0.019 0.000 2.268 28 Q HA -0.328 4.007 4.340 -0.007 0.000 0.210 28 Q C 1.634 177.621 176.000 -0.022 0.000 0.988 28 Q CA 2.721 58.517 55.803 -0.012 0.000 0.883 28 Q CB -0.193 28.546 28.738 0.002 0.000 0.911 28 Q HN -0.221 8.044 8.270 -0.009 0.000 0.430 29 G N -3.190 105.591 108.800 -0.032 0.000 2.509 29 G HA2 -0.141 3.805 3.960 -0.024 0.000 0.218 29 G HA3 -0.141 3.820 3.960 -0.039 -0.024 0.218 29 G C 0.155 175.033 174.900 -0.037 0.000 1.124 29 G CA 0.244 45.324 45.100 -0.033 0.000 0.776 29 G HN -0.335 7.772 8.290 -0.037 0.161 0.547 30 Q N -1.450 118.318 119.800 -0.053 0.000 2.364 30 Q HA 0.089 4.397 4.340 -0.054 0.000 0.204 30 Q C -0.786 175.152 176.000 -0.105 0.000 1.002 30 Q CA -0.923 54.837 55.803 -0.070 0.000 1.012 30 Q CB 2.071 30.765 28.738 -0.075 0.000 1.188 30 Q HN -0.145 7.912 8.270 -0.056 0.179 0.522 31 R N 0.141 120.544 120.500 -0.162 0.000 2.585 31 R HA -0.224 3.993 4.340 -0.204 0.000 0.275 31 R C 1.218 177.311 176.300 -0.346 0.000 1.018 31 R CA 1.054 56.986 56.100 -0.280 0.000 1.072 31 R CB 0.739 30.822 30.300 -0.362 0.000 0.953 31 R HN 0.388 8.572 8.270 -0.144 0.000 0.419 32 H N 2.218 121.242 119.070 -0.077 0.000 2.362 32 H HA -0.284 4.240 4.556 -0.054 0.000 0.294 32 H C 1.240 176.490 175.328 -0.129 0.000 1.113 32 H CA 2.197 58.208 56.048 -0.062 0.000 1.253 32 H CB -0.380 29.380 29.762 -0.004 0.000 1.363 32 H HN 0.605 8.741 8.280 -0.240 0.000 0.494 33 G N -2.794 105.798 108.800 -0.346 0.000 3.562 33 G HA2 0.101 4.080 3.960 0.030 0.000 0.279 33 G HA3 0.101 4.063 3.960 0.003 0.000 0.279 33 G C -1.667 172.576 174.900 -1.094 0.000 1.314 33 G CA -0.519 44.413 45.100 -0.281 0.000 1.189 33 G HN -0.058 7.682 8.290 -0.894 0.013 0.562 34 V N 0.160 119.358 119.914 -1.194 0.000 2.532 34 V HA 0.344 3.985 4.120 -0.799 0.000 0.295 34 V C -1.960 173.360 176.094 -1.290 0.000 1.041 34 V CA -0.808 60.883 62.300 -1.015 0.000 0.926 34 V CB 2.175 33.752 31.823 -0.410 0.000 0.992 34 V HN -0.376 7.239 8.190 -0.792 0.100 0.457 35 F N 2.762 122.769 119.950 0.095 0.000 2.604 35 F HA 0.599 5.198 4.527 0.087 -0.019 0.316 35 F C -1.579 174.342 175.800 0.202 0.000 1.136 35 F CA -1.136 56.935 58.000 0.119 0.000 0.989 35 F CB 3.042 42.108 39.000 0.110 0.000 1.258 35 F HN -0.333 7.864 8.300 -0.172 0.000 0.451 36 L N -1.033 120.397 121.223 0.345 0.000 2.279 36 L HA 0.941 5.581 4.340 0.501 0.000 0.262 36 L C -2.208 174.816 176.870 0.256 0.000 1.019 36 L CA -2.278 52.782 54.840 0.367 0.000 0.823 36 L CB 3.956 46.228 42.059 0.355 0.000 1.358 36 L HN -0.002 8.386 8.230 0.263 0.000 0.432 37 V N -1.893 118.082 119.914 0.103 0.000 2.769 37 V HA 0.553 4.861 4.120 0.050 -0.159 0.312 37 V C -1.406 174.656 176.094 -0.052 0.000 1.058 37 V CA -1.850 60.384 62.300 -0.110 0.000 0.952 37 V CB 2.423 33.719 31.823 -0.877 0.000 1.019 37 V HN 0.224 8.456 8.190 0.070 0.000 0.445 38 R N 4.088 124.614 120.500 0.043 0.000 2.947 38 R HA 0.494 4.882 4.340 0.079 0.000 0.253 38 R C -2.478 173.889 176.300 0.112 0.000 1.208 38 R CA -3.702 52.458 56.100 0.099 0.000 1.012 38 R CB 3.982 34.380 30.300 0.162 0.000 1.267 38 R HN 1.255 9.437 8.270 0.078 0.135 0.473 39 D N -1.602 118.839 120.400 0.069 0.000 2.210 39 D HA 0.095 4.712 4.640 -0.039 0.000 0.249 39 D C 0.089 176.392 176.300 0.005 0.000 1.062 39 D CA -1.153 52.846 54.000 -0.003 0.000 0.891 39 D CB 0.208 40.982 40.800 -0.044 0.000 1.186 39 D HN 0.241 8.650 8.370 0.064 0.000 0.432 40 S N 2.121 117.804 115.700 -0.029 0.000 3.106 40 S HA -0.212 4.278 4.470 0.033 0.000 0.304 40 S C -0.012 174.575 174.600 -0.021 0.000 1.118 40 S CA 1.108 59.304 58.200 -0.006 0.000 1.403 40 S CB -0.851 62.337 63.200 -0.020 0.000 1.555 40 S HN 0.100 8.354 8.310 -0.094 0.000 0.584 41 S N 3.745 119.435 115.700 -0.017 0.000 2.465 41 S HA -0.180 4.271 4.470 -0.032 0.000 0.241 41 S C 0.939 175.520 174.600 -0.031 0.000 1.000 41 S CA 2.656 60.836 58.200 -0.032 0.000 0.964 41 S CB -0.094 63.075 63.200 -0.052 0.000 0.763 41 S HN 0.038 8.332 8.310 -0.004 0.013 0.512 42 T N -3.201 111.340 114.554 -0.022 0.000 3.004 42 T HA 0.071 4.409 4.350 -0.021 0.000 0.243 42 T C -0.622 174.070 174.700 -0.013 0.000 1.020 42 T CA 0.794 62.883 62.100 -0.017 0.000 1.145 42 T CB 0.395 69.257 68.868 -0.010 0.000 0.876 42 T HN -0.381 7.788 8.240 -0.015 0.062 0.449 43 S N 2.316 118.011 115.700 -0.009 0.000 2.562 43 S HA 0.263 4.728 4.470 -0.008 0.000 0.275 43 S C -1.454 173.128 174.600 -0.029 0.000 1.281 43 S CA -2.457 55.736 58.200 -0.012 0.000 1.045 43 S CB 1.209 64.409 63.200 0.000 0.000 0.962 43 S HN -0.546 7.762 8.310 -0.004 0.000 0.503 44 P HA -0.028 4.369 4.420 -0.038 0.000 0.217 44 P C -0.088 177.177 177.300 -0.058 0.000 1.151 44 P CA 0.314 63.392 63.100 -0.037 0.000 0.828 44 P CB 0.488 32.172 31.700 -0.025 0.000 0.788 45 G N 0.044 108.810 108.800 -0.057 0.000 4.465 45 G HA2 0.180 4.066 3.960 -0.123 0.000 0.330 45 G HA3 0.180 4.105 3.960 -0.058 0.000 0.330 45 G C -2.242 172.603 174.900 -0.091 0.000 1.475 45 G CA -0.207 44.842 45.100 -0.084 0.000 0.955 45 G HN -0.327 7.940 8.290 -0.038 0.000 0.516 46 D N 0.059 120.371 120.400 -0.148 0.000 2.639 46 D HA 0.252 4.866 4.640 -0.044 0.000 0.271 46 D C -1.920 174.256 176.300 -0.207 0.000 1.254 46 D CA 0.307 54.249 54.000 -0.096 0.000 0.810 46 D CB 3.604 44.413 40.800 0.015 0.000 1.351 46 D HN -0.404 7.859 8.370 -0.179 0.000 0.427 47 Y N -2.477 117.856 120.300 0.055 0.000 2.568 47 Y HA 0.187 4.755 4.550 0.030 0.000 0.327 47 Y C -0.648 175.307 175.900 0.090 0.000 1.163 47 Y CA -0.418 57.715 58.100 0.056 0.000 1.219 47 Y CB 3.274 41.772 38.460 0.064 0.000 1.308 47 Y HN -0.212 8.230 8.280 0.270 0.000 0.503 48 V N -1.905 118.177 119.914 0.281 0.000 2.733 48 V HA 0.529 4.978 4.120 0.254 -0.177 0.306 48 V C -1.935 174.299 176.094 0.232 0.000 1.084 48 V CA -0.947 61.501 62.300 0.246 0.000 0.905 48 V CB 3.366 35.330 31.823 0.235 0.000 1.010 48 V HN 1.005 9.373 8.190 0.296 0.000 0.424 49 L N 6.899 128.282 121.223 0.267 0.000 2.295 49 L HA 0.411 4.910 4.340 0.264 0.000 0.285 49 L C -2.469 174.466 176.870 0.107 0.000 1.035 49 L CA -1.313 53.690 54.840 0.273 0.000 0.806 49 L CB 1.622 43.899 42.059 0.365 0.000 1.214 49 L HN 1.266 9.541 8.230 0.299 0.134 0.426 50 S N 5.696 121.382 115.700 -0.024 0.000 2.475 50 S HA 0.841 5.126 4.470 -0.627 -0.191 0.298 50 S C -1.595 173.034 174.600 0.048 0.000 1.119 50 S CA -1.506 56.490 58.200 -0.340 0.000 1.085 50 S CB 1.256 64.112 63.200 -0.575 0.000 1.028 50 S HN 0.927 9.180 8.310 0.099 0.116 0.489 51 V N 0.165 120.129 119.914 0.084 0.000 2.612 51 V HA 0.412 4.982 4.120 0.750 0.000 0.301 51 V C -2.084 174.236 176.094 0.377 0.000 1.059 51 V CA -1.972 60.578 62.300 0.417 0.000 0.886 51 V CB 3.055 34.965 31.823 0.144 0.000 1.007 51 V HN 1.185 9.211 8.190 -0.071 0.121 0.426 52 S N 6.159 122.114 115.700 0.426 0.000 2.671 52 S HA -0.215 4.406 4.470 0.150 -0.061 0.331 52 S C -0.512 174.258 174.600 0.283 0.000 1.182 52 S CA 1.225 59.555 58.200 0.217 0.000 1.276 52 S CB -0.539 62.695 63.200 0.057 0.000 1.360 52 S HN -0.088 8.513 8.310 0.485 0.000 0.563 53 E N 7.772 128.093 120.200 0.202 0.000 2.115 53 E HA 0.021 4.503 4.350 0.220 0.000 0.282 53 E C -0.384 176.281 176.600 0.108 0.000 0.987 53 E CA -0.411 56.087 56.400 0.163 0.000 0.797 53 E CB 1.402 31.163 29.700 0.101 0.000 1.086 53 E HN -0.539 7.857 8.360 0.156 0.058 0.397 54 N N 6.106 124.871 118.700 0.109 0.000 3.489 54 N HA -0.383 4.400 4.740 0.072 0.000 0.206 54 N C 0.043 175.592 175.510 0.065 0.000 0.368 54 N CA 2.794 55.888 53.050 0.074 0.000 2.164 54 N CB -1.507 37.010 38.487 0.051 0.000 1.440 54 N HN 0.687 9.151 8.380 0.139 0.000 0.372 55 S N 0.929 116.660 115.700 0.052 0.000 2.564 55 S HA 0.098 4.595 4.470 0.044 0.000 0.231 55 S C 0.068 174.694 174.600 0.044 0.000 1.067 55 S CA 0.551 58.776 58.200 0.043 0.000 0.908 55 S CB 1.782 64.999 63.200 0.029 0.000 0.809 55 S HN -0.012 8.327 8.310 0.049 0.000 0.491 56 R N 1.847 122.376 120.500 0.049 0.000 2.917 56 R HA 0.264 4.631 4.340 0.045 0.000 0.220 56 R C -1.690 174.654 176.300 0.074 0.000 1.485 56 R CA -0.965 55.166 56.100 0.051 0.000 1.037 56 R CB 1.571 31.896 30.300 0.041 0.000 1.929 56 R HN -0.624 7.675 8.270 0.049 0.000 0.526 57 V N -2.864 117.100 119.914 0.083 0.000 2.524 57 V HA 0.451 4.875 4.120 0.117 -0.234 0.297 57 V C -1.376 174.783 176.094 0.108 0.000 1.035 57 V CA -1.155 61.205 62.300 0.100 0.000 0.867 57 V CB 3.004 34.881 31.823 0.089 0.000 1.004 57 V HN 0.005 8.243 8.190 0.080 0.000 0.426 58 S N 8.847 124.577 115.700 0.049 0.000 2.669 58 S HA 0.270 4.793 4.470 0.087 0.000 0.270 58 S C -1.675 172.867 174.600 -0.097 0.000 1.225 58 S CA -0.026 58.167 58.200 -0.012 0.000 0.991 58 S CB 1.469 64.561 63.200 -0.179 0.000 0.987 58 S HN 0.647 8.990 8.310 0.055 0.000 0.552 59 H N -0.476 118.405 119.070 -0.316 0.000 2.622 59 H HA 0.848 5.565 4.556 -0.089 -0.215 0.363 59 H C -0.209 174.844 175.328 -0.458 0.000 1.151 59 H CA -0.661 55.247 56.048 -0.233 0.000 1.184 59 H CB 3.170 32.880 29.762 -0.087 0.000 1.643 59 H HN 0.069 8.305 8.280 -0.073 0.000 0.531 60 Y N 0.945 121.327 120.300 0.135 0.000 2.326 60 Y HA 0.137 4.744 4.550 0.095 0.000 0.329 60 Y C -1.020 174.962 175.900 0.137 0.000 0.973 60 Y CA -1.418 56.745 58.100 0.104 0.000 1.162 60 Y CB 2.318 40.809 38.460 0.051 0.000 1.147 60 Y HN 1.269 9.536 8.280 0.188 0.126 0.456 61 I N 4.789 125.508 120.570 0.248 0.000 2.533 61 I HA -0.033 4.388 4.170 0.201 -0.131 0.284 61 I C -0.452 175.796 176.117 0.217 0.000 1.109 61 I CA -0.062 61.359 61.300 0.201 0.000 1.412 61 I CB -0.298 37.783 38.000 0.135 0.000 1.396 61 I HN 0.703 9.043 8.210 0.216 0.000 0.543 62 I N 7.597 128.306 120.570 0.231 0.000 2.525 62 I HA 0.191 4.599 4.170 0.209 -0.113 0.301 62 I C -1.028 175.214 176.117 0.207 0.000 0.992 62 I CA -1.151 60.288 61.300 0.233 0.000 1.162 62 I CB 2.649 40.818 38.000 0.282 0.000 1.332 62 I HN 1.076 9.298 8.210 0.240 0.132 0.458 63 N N 5.410 124.214 118.700 0.174 0.000 2.518 63 N HA 0.421 5.482 4.740 0.135 -0.240 0.254 63 N C -1.480 174.119 175.510 0.148 0.000 0.979 63 N CA -0.868 52.266 53.050 0.140 0.000 0.930 63 N CB 2.593 41.139 38.487 0.099 0.000 1.152 63 N HN 0.843 9.206 8.380 0.164 0.115 0.505 64 S N 3.382 119.190 115.700 0.181 0.000 2.565 64 S HA 0.274 4.953 4.470 0.150 -0.119 0.290 64 S C -0.162 174.504 174.600 0.111 0.000 1.150 64 S CA -1.049 57.260 58.200 0.182 0.000 1.058 64 S CB 1.369 64.775 63.200 0.344 0.000 1.032 64 S HN 0.318 8.736 8.310 0.181 0.000 0.510 65 S N 6.552 122.304 115.700 0.087 0.000 2.527 65 S HA 0.070 4.570 4.470 0.049 0.000 0.225 65 S C 0.144 174.776 174.600 0.054 0.000 1.046 65 S CA 0.281 58.515 58.200 0.057 0.000 0.929 65 S CB 1.543 64.768 63.200 0.040 0.000 0.851 65 S HN 0.112 8.476 8.310 0.088 0.000 0.565 66 G N 2.312 111.145 108.800 0.056 0.000 2.963 66 G HA2 -0.095 3.898 3.960 0.054 0.000 0.262 66 G HA3 -0.095 3.897 3.960 0.053 0.000 0.262 66 G C -2.470 172.450 174.900 0.032 0.000 1.043 66 G CA -0.578 44.552 45.100 0.050 0.000 1.223 66 G HN 0.131 8.455 8.290 0.057 0.000 0.574 67 P HA 0.014 4.443 4.420 0.016 0.000 0.221 67 P C -1.117 176.193 177.300 0.016 0.000 1.155 67 P CA 0.515 63.626 63.100 0.018 0.000 0.812 67 P CB 0.675 32.382 31.700 0.013 0.000 0.801 68 R N -2.881 117.630 120.500 0.018 0.000 2.854 68 R HA 0.422 4.771 4.340 0.015 0.000 0.271 68 R C -2.538 173.775 176.300 0.021 0.000 0.996 68 R CA -3.227 52.883 56.100 0.017 0.000 0.961 68 R CB -0.145 30.163 30.300 0.014 0.000 1.182 68 R HN -0.454 7.829 8.270 0.021 0.000 0.479 69 P HA 0.185 4.619 4.420 0.024 0.000 0.266 69 P C -1.103 176.214 177.300 0.028 0.000 1.193 69 P CA -0.843 62.271 63.100 0.023 0.000 0.770 69 P CB -0.364 31.348 31.700 0.020 0.000 0.836 70 P HA -0.020 4.423 4.420 0.038 0.000 0.218 70 P C -1.452 175.874 177.300 0.043 0.000 1.151 70 P CA 1.377 64.502 63.100 0.041 0.000 0.850 70 P CB 0.543 32.272 31.700 0.049 0.000 0.801 71 V N -5.847 114.092 119.914 0.041 0.000 2.914 71 V HA 0.438 4.587 4.120 0.048 0.000 0.314 71 V C -2.186 173.929 176.094 0.035 0.000 1.084 71 V CA -4.847 57.479 62.300 0.044 0.000 0.963 71 V CB 1.391 33.243 31.823 0.049 0.000 1.025 71 V HN -0.888 7.324 8.190 0.038 0.000 0.432 72 P HA -0.015 4.419 4.420 0.024 0.000 0.216 72 P C -1.029 176.286 177.300 0.024 0.000 1.157 72 P CA 1.429 64.545 63.100 0.027 0.000 0.880 72 P CB -1.441 30.276 31.700 0.029 0.000 0.791 73 P HA -0.070 4.361 4.420 0.019 0.000 0.302 73 P C -1.119 176.193 177.300 0.020 0.000 1.301 73 P CA -0.094 63.019 63.100 0.021 0.000 0.770 73 P CB -0.111 31.603 31.700 0.023 0.000 1.458 74 S N -2.113 113.598 115.700 0.018 0.000 3.080 74 S HA -0.126 4.353 4.470 0.015 0.000 0.790 74 S C -0.713 173.894 174.600 0.013 0.000 0.736 74 S CA 0.017 58.227 58.200 0.016 0.000 1.493 74 S CB -1.213 61.998 63.200 0.018 0.000 1.047 74 S HN -0.071 8.249 8.310 0.017 0.000 0.709 75 P HA -0.129 4.296 4.420 0.009 0.000 0.213 75 P C -1.044 176.261 177.300 0.009 0.000 1.176 75 P CA 1.154 64.259 63.100 0.009 0.000 0.919 75 P CB 0.459 32.164 31.700 0.008 0.000 0.791 76 A N -2.569 120.256 122.820 0.009 0.000 2.512 76 A HA 0.089 4.414 4.320 0.009 0.000 0.294 76 A C -1.821 175.768 177.584 0.008 0.000 1.054 76 A CA 0.536 52.578 52.037 0.008 0.000 0.756 76 A CB 1.339 20.343 19.000 0.007 0.000 1.293 76 A HN -0.443 7.712 8.150 0.009 0.000 0.395 77 Q N 1.595 121.400 119.800 0.009 0.000 3.258 77 Q HA 0.216 4.561 4.340 0.008 0.000 0.214 77 Q C -2.691 173.314 176.000 0.009 0.000 0.873 77 Q CA -1.716 54.093 55.803 0.009 0.000 0.752 77 Q CB 0.978 29.722 28.738 0.011 0.000 1.396 77 Q HN 0.186 8.461 8.270 0.010 0.000 0.463 78 P HA 0.076 4.501 4.420 0.008 0.000 0.260 78 P C -1.745 175.560 177.300 0.009 0.000 1.172 78 P CA -0.755 62.350 63.100 0.008 0.000 0.760 78 P CB -0.105 31.599 31.700 0.006 0.000 0.773 79 P HA 0.200 4.627 4.420 0.013 0.000 0.279 79 P C -1.073 176.232 177.300 0.010 0.000 1.276 79 P CA -1.718 61.389 63.100 0.011 0.000 0.801 79 P CB -0.434 31.274 31.700 0.013 0.000 1.127 80 P HA -0.147 4.278 4.420 0.008 0.000 0.208 80 P C 0.075 177.380 177.300 0.007 0.000 1.195 80 P CA 1.082 64.188 63.100 0.010 0.000 0.927 80 P CB 0.164 31.872 31.700 0.012 0.000 0.778 81 G N -2.557 106.248 108.800 0.008 0.000 2.203 81 G HA2 -0.241 3.722 3.960 0.005 0.000 0.231 81 G HA3 -0.241 3.722 3.960 0.005 0.000 0.231 81 G C -0.216 174.686 174.900 0.004 0.000 1.058 81 G CA -0.192 44.911 45.100 0.005 0.000 0.781 81 G HN 0.253 8.549 8.290 0.010 0.000 0.496 82 V N -5.681 114.236 119.914 0.004 0.000 3.273 82 V HA 0.400 4.520 4.120 0.001 0.000 0.208 82 V C 0.228 176.324 176.094 0.002 0.000 1.464 82 V CA -0.136 62.166 62.300 0.002 0.000 1.270 82 V CB 1.185 33.010 31.823 0.003 0.000 1.161 82 V HN -0.168 8.025 8.190 0.006 0.000 0.512 83 S N 4.079 119.783 115.700 0.006 0.000 2.752 83 S HA 0.013 4.486 4.470 0.006 0.000 0.329 83 S C -1.017 173.585 174.600 0.003 0.000 1.204 83 S CA -0.513 57.692 58.200 0.007 0.000 1.252 83 S CB 0.555 63.764 63.200 0.015 0.000 1.053 83 S HN -0.252 8.063 8.310 0.008 0.000 0.533 84 P HA -0.014 4.400 4.420 -0.010 0.000 0.206 84 P C 0.944 178.236 177.300 -0.013 0.000 1.209 84 P CA 0.968 64.062 63.100 -0.011 0.000 0.923 84 P CB 0.408 32.097 31.700 -0.017 0.000 0.761 85 S N -2.776 112.913 115.700 -0.019 0.000 2.419 85 S HA -0.289 4.160 4.470 -0.035 0.000 0.235 85 S C 1.002 175.602 174.600 -0.000 0.000 1.019 85 S CA 2.611 60.797 58.200 -0.023 0.000 0.982 85 S CB -0.318 62.861 63.200 -0.034 0.000 0.789 85 S HN 0.467 8.764 8.310 -0.021 0.000 0.490 86 R N -4.413 116.093 120.500 0.011 0.000 1.227 86 R HA -0.418 3.940 4.340 0.030 0.000 0.022 86 R C -0.395 175.933 176.300 0.047 0.000 0.961 86 R CA 2.142 58.259 56.100 0.028 0.000 1.953 86 R CB -1.771 28.544 30.300 0.026 0.000 0.169 86 R HN -0.072 8.165 8.270 0.007 0.037 0.722 87 L N 2.240 123.492 121.223 0.049 0.000 2.322 87 L HA 0.709 5.378 4.340 0.095 -0.272 0.279 87 L C -1.216 175.702 176.870 0.080 0.000 1.036 87 L CA -1.557 53.327 54.840 0.073 0.000 0.807 87 L CB 2.478 44.571 42.059 0.057 0.000 1.226 87 L HN -0.053 8.161 8.230 0.034 0.036 0.433 88 R N 3.025 123.588 120.500 0.105 0.000 2.663 88 R HA 0.270 4.699 4.340 0.148 0.000 0.267 88 R C -3.167 173.221 176.300 0.146 0.000 1.038 88 R CA -0.238 55.933 56.100 0.118 0.000 0.886 88 R CB 4.132 34.475 30.300 0.072 0.000 1.249 88 R HN 0.223 8.564 8.270 0.118 0.000 0.463 89 I N 3.243 123.918 120.570 0.175 0.000 2.607 89 I HA 0.408 4.686 4.170 0.181 0.000 0.290 89 I C -1.004 175.234 176.117 0.201 0.000 1.129 89 I CA -1.383 60.033 61.300 0.193 0.000 1.042 89 I CB 3.443 41.570 38.000 0.212 0.000 1.242 89 I HN 0.277 8.605 8.210 0.196 0.000 0.421 90 G N 8.774 117.684 108.800 0.184 0.000 2.509 90 G HA2 -0.510 3.553 3.960 0.172 0.000 0.259 90 G HA3 -0.510 3.568 3.960 0.197 0.000 0.259 90 G C -1.518 173.458 174.900 0.127 0.000 1.169 90 G CA 0.852 46.054 45.100 0.171 0.000 0.953 90 G HN 0.368 8.768 8.290 0.183 0.000 0.563 91 D N 2.556 123.025 120.400 0.116 0.000 2.463 91 D HA 0.196 4.873 4.640 0.061 0.000 0.224 91 D C -0.435 175.888 176.300 0.039 0.000 1.174 91 D CA -0.301 53.743 54.000 0.072 0.000 0.829 91 D CB -0.136 40.706 40.800 0.070 0.000 0.993 91 D HN 0.144 8.600 8.370 0.144 0.000 0.497 92 Q N -2.045 117.775 119.800 0.034 0.000 2.873 92 Q HA 0.343 4.629 4.340 -0.090 0.000 0.297 92 Q C -1.725 174.212 176.000 -0.104 0.000 1.064 92 Q CA -2.029 53.734 55.803 -0.067 0.000 0.816 92 Q CB 2.382 31.058 28.738 -0.103 0.000 1.481 92 Q HN -0.709 7.530 8.270 0.081 0.080 0.488 93 E N -0.811 119.205 120.200 -0.308 0.000 2.292 93 E HA 0.153 4.442 4.350 -0.101 0.000 0.272 93 E C -1.582 174.644 176.600 -0.623 0.000 0.881 93 E CA -0.656 55.572 56.400 -0.286 0.000 0.754 93 E CB 2.664 32.233 29.700 -0.219 0.000 1.201 93 E HN 0.170 8.249 8.360 -0.467 0.000 0.425 94 F N 3.609 123.444 119.950 -0.192 0.000 2.613 94 F HA 0.176 4.500 4.527 -0.337 0.000 0.314 94 F C -1.072 174.623 175.800 -0.176 0.000 1.075 94 F CA -0.823 57.023 58.000 -0.257 0.000 0.945 94 F CB 3.763 42.589 39.000 -0.290 0.000 1.310 94 F HN -0.141 8.165 8.300 0.011 0.000 0.467 95 D N -0.756 119.660 120.400 0.025 0.000 2.078 95 D HA -0.208 4.415 4.640 -0.029 0.000 0.193 95 D C 0.098 176.404 176.300 0.010 0.000 0.990 95 D CA 2.858 56.853 54.000 -0.008 0.000 0.827 95 D CB 0.534 41.322 40.800 -0.020 0.000 0.975 95 D HN 0.148 8.532 8.370 0.023 0.000 0.451 96 S N -5.851 109.853 115.700 0.007 0.000 2.685 96 S HA 0.197 4.669 4.470 0.003 0.000 0.282 96 S C -0.355 174.219 174.600 -0.043 0.000 1.159 96 S CA -1.210 56.982 58.200 -0.013 0.000 0.833 96 S CB 2.746 65.928 63.200 -0.029 0.000 1.151 96 S HN -0.729 7.585 8.310 0.007 0.000 0.485 97 L N 2.860 124.046 121.223 -0.061 0.000 1.976 97 L HA -0.043 4.278 4.340 -0.032 0.000 0.209 97 L C -1.037 175.739 176.870 -0.158 0.000 1.071 97 L CA 3.565 58.365 54.840 -0.067 0.000 0.746 97 L CB -2.370 39.616 42.059 -0.121 0.000 0.890 97 L HN 0.618 8.809 8.230 -0.065 0.000 0.432 98 P HA -0.271 3.860 4.420 -0.482 0.000 0.216 98 P C 1.065 178.176 177.300 -0.314 0.000 1.154 98 P CA 2.686 65.622 63.100 -0.273 0.000 0.865 98 P CB -0.869 30.763 31.700 -0.114 0.000 0.789 99 A N -4.371 118.338 122.820 -0.185 0.000 1.933 99 A HA -0.190 4.078 4.320 -0.086 0.000 0.218 99 A C 2.560 180.004 177.584 -0.234 0.000 1.175 99 A CA 2.513 54.474 52.037 -0.128 0.000 0.628 99 A CB -0.750 18.225 19.000 -0.041 0.000 0.814 99 A HN 0.040 8.101 8.150 -0.136 0.007 0.444 100 L N 0.054 121.055 121.223 -0.369 0.000 2.013 100 L HA -0.302 3.388 4.340 -1.084 0.000 0.212 100 L C 1.628 178.247 176.870 -0.418 0.000 1.073 100 L CA 2.989 57.486 54.840 -0.572 0.000 0.753 100 L CB -0.794 41.057 42.059 -0.348 0.000 0.890 100 L HN -0.356 7.594 8.230 -0.287 0.108 0.432 101 L N -5.592 115.376 121.223 -0.425 0.000 2.353 101 L HA -0.334 3.862 4.340 -0.240 0.000 0.220 101 L C 1.304 178.032 176.870 -0.237 0.000 1.133 101 L CA 2.114 56.732 54.840 -0.371 0.000 0.798 101 L CB -1.740 39.905 42.059 -0.690 0.000 0.922 101 L HN -0.587 7.318 8.230 -0.541 0.000 0.445 102 E N -4.249 115.819 120.200 -0.220 0.000 2.318 102 E HA -0.185 4.072 4.350 -0.156 0.000 0.193 102 E C 1.157 177.659 176.600 -0.163 0.000 0.998 102 E CA 1.118 57.424 56.400 -0.157 0.000 0.859 102 E CB 0.460 30.086 29.700 -0.124 0.000 0.812 102 E HN -0.477 7.552 8.360 -0.254 0.178 0.492 103 F N -0.517 119.252 119.950 -0.302 0.000 2.274 103 F HA -0.102 4.343 4.527 -0.137 0.000 0.288 103 F C 1.641 177.338 175.800 -0.173 0.000 1.069 103 F CA 2.959 60.793 58.000 -0.276 0.000 1.343 103 F CB 1.183 39.902 39.000 -0.468 0.000 1.089 103 F HN -0.631 7.501 8.300 -0.090 0.115 0.517 104 Y N -0.675 119.547 120.300 -0.129 0.000 2.716 104 Y HA -0.249 4.350 4.550 0.081 0.000 0.302 104 Y C 1.899 177.794 175.900 -0.008 0.000 1.160 104 Y CA 0.458 58.527 58.100 -0.052 0.000 1.362 104 Y CB -1.042 37.321 38.460 -0.162 0.000 0.988 104 Y HN -0.231 7.962 8.280 -0.145 0.000 0.546 105 K N -1.523 118.952 120.400 0.125 0.000 2.281 105 K HA -0.264 4.164 4.320 0.073 -0.064 0.203 105 K C 0.329 176.995 176.600 0.111 0.000 1.046 105 K CA 2.308 58.644 56.287 0.081 0.000 0.938 105 K CB -0.501 32.011 32.500 0.019 0.000 0.737 105 K HN 0.236 8.422 8.250 0.057 0.099 0.458 106 I N -9.797 110.870 120.570 0.162 0.000 4.390 106 I HA 0.221 4.436 4.170 0.075 0.000 0.334 106 I C -0.547 175.683 176.117 0.189 0.000 1.379 106 I CA -0.618 60.756 61.300 0.124 0.000 1.197 106 I CB -0.541 37.495 38.000 0.061 0.000 1.396 106 I HN -0.723 7.562 8.210 0.211 0.052 0.511 107 H N 0.638 119.854 119.070 0.244 0.000 2.525 107 H HA 0.045 4.717 4.556 0.194 0.000 0.275 107 H C -1.046 174.562 175.328 0.466 0.000 0.984 107 H CA 1.389 57.631 56.048 0.324 0.000 1.264 107 H CB 1.024 30.958 29.762 0.287 0.000 1.432 107 H HN -0.500 7.948 8.280 0.511 0.138 0.549 108 Y N -4.226 116.241 120.300 0.278 0.000 2.712 108 Y HA -0.434 4.178 4.550 -0.105 -0.125 0.033 108 Y C -0.842 174.960 175.900 -0.163 0.000 1.937 108 Y CA 0.604 58.710 58.100 0.011 0.000 1.267 108 Y CB -2.330 36.151 38.460 0.035 0.000 1.929 108 Y HN -0.726 7.852 8.280 0.496 0.000 0.282 109 L N 4.226 125.050 121.223 -0.664 0.000 1.925 109 L HA -0.243 3.126 4.340 -1.618 0.000 0.214 109 L C 0.669 177.250 176.870 -0.482 0.000 1.091 109 L CA 3.034 57.231 54.840 -1.071 0.000 0.768 109 L CB 0.279 41.500 42.059 -1.397 0.000 0.887 109 L HN 0.089 7.965 8.230 -0.590 0.000 0.433 110 D N -6.445 113.728 120.400 -0.378 0.000 2.520 110 D HA 0.116 4.704 4.640 -0.087 0.000 0.223 110 D C 0.102 176.273 176.300 -0.214 0.000 1.186 110 D CA 0.824 54.749 54.000 -0.124 0.000 0.821 110 D CB 1.891 42.787 40.800 0.160 0.000 1.072 110 D HN -0.239 7.875 8.370 -0.425 0.000 0.518 111 T N -3.808 110.449 114.554 -0.496 0.000 3.598 111 T HA -0.098 3.798 4.350 -0.756 0.000 0.281 111 T C -1.276 172.856 174.700 -0.947 0.000 0.905 111 T CA 0.497 62.208 62.100 -0.647 0.000 0.800 111 T CB 0.470 69.195 68.868 -0.239 0.000 1.145 111 T HN -0.466 7.417 8.240 -0.595 0.000 0.837 112 T N 2.800 117.004 114.554 -0.582 0.000 2.918 112 T HA 0.178 4.464 4.350 -0.107 0.000 0.286 112 T C -1.670 172.874 174.700 -0.261 0.000 1.026 112 T CA -1.145 60.783 62.100 -0.286 0.000 1.031 112 T CB 1.486 70.293 68.868 -0.102 0.000 1.046 112 T HN -0.127 7.855 8.240 -0.430 0.000 0.479 113 T N 4.233 118.811 114.554 0.040 0.000 2.940 113 T HA 0.152 4.465 4.350 -0.061 0.000 0.288 113 T C -1.142 173.404 174.700 -0.256 0.000 1.033 113 T CA -1.541 60.575 62.100 0.027 0.000 1.033 113 T CB 2.153 71.182 68.868 0.268 0.000 1.079 113 T HN 0.008 8.367 8.240 0.199 0.000 0.496 114 L N 0.828 121.925 121.223 -0.211 0.000 2.350 114 L HA 0.095 4.188 4.340 -0.411 0.000 0.275 114 L C -0.436 176.595 176.870 0.269 0.000 1.099 114 L CA -0.596 54.200 54.840 -0.073 0.000 0.808 114 L CB 0.078 42.101 42.059 -0.060 0.000 1.149 114 L HN -0.298 7.865 8.230 -0.112 0.000 0.442 115 I N 1.418 122.292 120.570 0.508 0.000 3.623 115 I HA 0.056 4.332 4.170 0.177 0.000 0.253 115 I C -0.685 175.517 176.117 0.142 0.000 1.144 115 I CA 0.614 62.067 61.300 0.254 0.000 1.461 115 I CB 2.185 40.309 38.000 0.206 0.000 1.575 115 I HN 0.542 9.284 8.210 0.885 0.000 0.445 116 E N -2.989 117.285 120.200 0.122 0.000 2.449 116 E HA 0.516 4.902 4.350 0.059 0.000 0.278 116 E C -3.282 173.369 176.600 0.085 0.000 0.992 116 E CA -2.875 53.562 56.400 0.061 0.000 0.807 116 E CB 0.841 30.545 29.700 0.005 0.000 1.350 116 E HN -0.724 7.711 8.360 0.125 0.000 0.462 117 P HA 0.079 4.642 4.420 0.240 0.000 0.276 117 P C -0.508 176.876 177.300 0.140 0.000 1.230 117 P CA -0.731 62.462 63.100 0.155 0.000 0.776 117 P CB 0.600 32.371 31.700 0.119 0.000 0.888 118 V N 4.285 124.327 119.914 0.214 0.000 2.250 118 V HA -0.296 3.863 4.120 0.065 0.000 0.250 118 V C 0.339 176.584 176.094 0.252 0.000 1.060 118 V CA 1.511 63.926 62.300 0.192 0.000 1.030 118 V CB 0.497 32.462 31.823 0.238 0.000 0.643 118 V HN 0.282 8.642 8.190 0.284 0.000 0.445 119 S N -4.128 111.869 115.700 0.495 0.000 3.275 119 S HA -0.373 4.570 4.470 0.789 0.000 0.385 119 S C -0.050 174.767 174.600 0.362 0.000 0.887 119 S CA 0.194 58.693 58.200 0.499 0.000 1.346 119 S CB -0.009 63.297 63.200 0.176 0.000 0.955 119 S HN -0.603 8.087 8.310 0.634 0.000 0.587 120 R N 0.047 120.737 120.500 0.316 0.000 2.096 120 R HA -0.073 4.535 4.340 0.005 -0.264 0.235 120 R C 0.367 176.709 176.300 0.070 0.000 1.127 120 R CA 1.404 57.515 56.100 0.018 0.000 0.968 120 R CB 0.408 30.549 30.300 -0.265 0.000 0.861 120 R HN 0.062 8.585 8.270 0.420 0.000 0.440 121 S N -4.451 111.359 115.700 0.184 0.000 2.627 121 S HA -0.069 4.458 4.470 0.096 0.000 0.270 121 S C -1.730 172.970 174.600 0.167 0.000 1.147 121 S CA -0.307 57.967 58.200 0.123 0.000 0.944 121 S CB 0.768 63.996 63.200 0.048 0.000 1.201 121 S HN -0.710 7.823 8.310 0.391 0.013 0.479 122 R N -0.564 119.989 120.500 0.089 0.000 1.113 122 R HA -0.238 4.124 4.340 0.035 0.000 0.421 122 R C -1.860 174.461 176.300 0.034 0.000 1.359 122 R CA 1.260 57.399 56.100 0.066 0.000 1.299 122 R CB -0.417 29.944 30.300 0.102 0.000 3.643 122 R HN 0.147 8.452 8.270 0.058 0.000 0.496 123 Q N 1.163 120.961 119.800 -0.005 0.000 2.479 123 Q HA 0.133 4.440 4.340 -0.054 0.000 0.276 123 Q C -0.570 175.398 176.000 -0.053 0.000 0.989 123 Q CA -0.204 55.578 55.803 -0.035 0.000 0.864 123 Q CB 3.028 31.752 28.738 -0.023 0.000 1.444 123 Q HN 0.207 8.474 8.270 -0.005 0.000 0.388 124 G N 3.274 112.023 108.800 -0.084 0.000 2.726 124 G HA2 -0.092 3.809 3.960 -0.099 0.000 0.283 124 G HA3 -0.092 3.785 3.960 -0.140 0.000 0.283 124 G C -0.934 173.925 174.900 -0.068 0.000 0.689 124 G CA 0.534 45.574 45.100 -0.100 0.000 2.087 124 G HN 0.388 8.619 8.290 -0.098 0.000 0.546 125 S N 5.920 121.590 115.700 -0.050 0.000 2.748 125 S HA 0.103 4.553 4.470 -0.034 0.000 0.241 125 S C 1.209 175.788 174.600 -0.035 0.000 1.064 125 S CA 0.046 58.225 58.200 -0.036 0.000 0.892 125 S CB 1.086 64.270 63.200 -0.027 0.000 0.810 125 S HN -0.139 8.117 8.310 -0.049 0.024 0.555 126 G N 1.687 110.466 108.800 -0.036 0.000 2.189 126 G HA2 -0.370 3.570 3.960 -0.034 0.000 0.267 126 G HA3 -0.370 3.568 3.960 -0.036 0.000 0.267 126 G C -0.635 174.247 174.900 -0.030 0.000 0.975 126 G CA 0.985 46.064 45.100 -0.034 0.000 0.644 126 G HN 0.446 8.714 8.290 -0.036 0.000 0.537 127 V N -5.468 114.429 119.914 -0.028 0.000 4.075 127 V HA -0.548 3.558 4.120 -0.024 0.000 0.218 127 V C -0.173 175.903 176.094 -0.031 0.000 0.527 127 V CA -0.116 62.167 62.300 -0.027 0.000 0.911 127 V CB -2.693 29.115 31.823 -0.026 0.000 0.963 127 V HN -0.237 7.850 8.190 -0.027 0.086 1.147 128 I N -3.717 116.834 120.570 -0.030 0.000 3.704 128 I HA -0.489 3.662 4.170 -0.031 0.000 0.126 128 I C -0.586 175.507 176.117 -0.040 0.000 1.017 128 I CA 0.882 62.163 61.300 -0.033 0.000 2.740 128 I CB -1.890 36.092 38.000 -0.031 0.000 1.302 128 I HN -0.431 7.724 8.210 -0.029 0.038 0.342 129 L N 5.014 126.213 121.223 -0.040 0.000 2.334 129 L HA 0.004 4.314 4.340 -0.049 0.000 0.286 129 L C 0.478 177.317 176.870 -0.051 0.000 1.108 129 L CA 0.030 54.843 54.840 -0.046 0.000 0.875 129 L CB -1.393 40.642 42.059 -0.041 0.000 1.246 129 L HN -0.076 8.132 8.230 -0.037 0.000 0.439 130 R N 5.290 125.753 120.500 -0.062 0.000 2.072 130 R HA -0.111 4.192 4.340 -0.062 0.000 0.221 130 R C 0.398 176.652 176.300 -0.077 0.000 1.166 130 R CA 0.100 56.157 56.100 -0.071 0.000 0.917 130 R CB 0.162 30.411 30.300 -0.086 0.000 0.815 130 R HN 0.295 8.525 8.270 -0.065 0.000 0.444 131 Q N -4.541 115.206 119.800 -0.089 0.000 2.460 131 Q HA -0.181 4.102 4.340 -0.095 0.000 0.248 131 Q C -1.276 174.658 176.000 -0.109 0.000 0.847 131 Q CA 0.825 56.573 55.803 -0.091 0.000 1.214 131 Q CB -0.362 28.334 28.738 -0.071 0.000 1.523 131 Q HN 0.161 8.373 8.270 -0.095 0.000 0.602 132 E N -0.768 119.360 120.200 -0.121 0.000 2.465 132 E HA -0.193 4.082 4.350 -0.125 0.000 0.260 132 E C 0.221 176.695 176.600 -0.210 0.000 0.980 132 E CA 0.899 57.214 56.400 -0.143 0.000 0.927 132 E CB -0.213 29.410 29.700 -0.129 0.000 0.934 132 E HN -0.343 7.894 8.360 -0.114 0.054 0.459 133 E N 2.142 122.196 120.200 -0.244 0.000 4.274 133 E HA -0.355 3.818 4.350 -0.295 0.000 0.213 133 E C -2.114 174.275 176.600 -0.352 0.000 1.527 133 E CA 1.237 57.409 56.400 -0.380 0.000 2.529 133 E CB -0.602 28.691 29.700 -0.680 0.000 2.132 133 E HN 0.136 8.382 8.360 -0.190 0.000 0.431 134 A N -3.233 119.311 122.820 -0.460 0.000 3.089 134 A HA -0.006 4.275 4.320 -0.065 0.000 0.137 134 A C -1.903 175.755 177.584 0.125 0.000 1.386 134 A CA 0.298 52.254 52.037 -0.135 0.000 1.843 134 A CB 0.994 19.953 19.000 -0.068 0.000 1.765 134 A HN 0.058 7.761 8.150 -0.745 0.000 0.779 135 E N 0.792 121.051 120.200 0.098 0.000 1.996 135 E HA 0.042 4.694 4.350 0.268 -0.141 0.280 135 E C -1.014 175.805 176.600 0.365 0.000 1.092 135 E CA 0.404 56.939 56.400 0.225 0.000 0.862 135 E CB -0.200 29.566 29.700 0.110 0.000 1.066 135 E HN 0.128 8.481 8.360 -0.011 0.000 0.396 136 Y N -0.999 119.322 120.300 0.034 0.000 3.264 136 Y HA 0.273 4.844 4.550 0.035 0.000 0.261 136 Y C -3.066 172.874 175.900 0.068 0.000 1.006 136 Y CA -1.719 56.404 58.100 0.039 0.000 1.267 136 Y CB -0.409 38.062 38.460 0.018 0.000 1.284 136 Y HN -0.255 8.355 8.280 0.549 0.000 0.661 137 V N -3.157 116.716 119.914 -0.068 0.000 2.808 137 V HA 0.835 5.030 4.120 -0.118 -0.146 0.308 137 V C -2.451 173.614 176.094 -0.048 0.000 1.099 137 V CA -2.414 59.801 62.300 -0.142 0.000 0.920 137 V CB 3.773 35.427 31.823 -0.282 0.000 1.014 137 V HN -0.544 7.684 8.190 0.064 0.000 0.425 138 R N 5.810 126.283 120.500 -0.044 0.000 2.288 138 R HA 0.556 4.969 4.340 -0.091 -0.128 0.326 138 R C 0.021 176.231 176.300 -0.151 0.000 0.959 138 R CA -2.295 53.752 56.100 -0.088 0.000 0.834 138 R CB 2.118 32.358 30.300 -0.099 0.000 1.157 138 R HN 1.054 9.150 8.270 -0.030 0.157 0.470 139 A N 7.299 129.967 122.820 -0.254 0.000 2.614 139 A HA -0.138 3.938 4.320 -0.408 0.000 0.231 139 A C -1.284 176.222 177.584 -0.130 0.000 1.076 139 A CA 1.184 53.007 52.037 -0.358 0.000 0.767 139 A CB 0.625 19.188 19.000 -0.729 0.000 1.012 139 A HN 1.012 8.922 8.150 -0.263 0.082 0.512 140 L N -4.661 116.539 121.223 -0.038 0.000 3.229 140 L HA 0.335 4.532 4.340 -0.239 0.000 0.286 140 L C -1.606 174.911 176.870 -0.589 0.000 1.239 140 L CA -1.191 53.481 54.840 -0.279 0.000 1.035 140 L CB -1.184 40.645 42.059 -0.384 0.000 1.408 140 L HN 0.455 8.753 8.230 0.113 0.000 0.593 141 F N -3.022 117.099 119.950 0.285 0.000 2.628 141 F HA 0.164 4.784 4.527 0.154 0.000 0.309 141 F C -1.174 174.813 175.800 0.313 0.000 1.108 141 F CA -1.448 56.715 58.000 0.272 0.000 0.971 141 F CB 3.951 43.102 39.000 0.251 0.000 1.279 141 F HN -0.856 7.681 8.300 0.491 0.058 0.441 142 D N -0.037 120.566 120.400 0.339 0.000 2.193 142 D HA 0.398 5.409 4.640 0.218 -0.240 0.249 142 D C -1.597 174.811 176.300 0.180 0.000 1.034 142 D CA -1.099 53.024 54.000 0.204 0.000 0.902 142 D CB 1.848 42.721 40.800 0.122 0.000 1.182 142 D HN -0.056 8.506 8.370 0.320 0.000 0.436 143 F N 3.376 123.259 119.950 -0.112 0.000 2.639 143 F HA 0.184 4.661 4.527 -0.083 0.000 0.326 143 F C -1.693 174.036 175.800 -0.119 0.000 1.150 143 F CA 0.131 58.046 58.000 -0.142 0.000 1.057 143 F CB 2.779 41.626 39.000 -0.255 0.000 1.300 143 F HN -0.450 7.895 8.300 0.075 0.000 0.486 144 N N 6.591 125.069 118.700 -0.370 0.000 2.043 144 N HA -0.243 4.449 4.740 -0.079 0.000 0.193 144 N C -0.470 175.054 175.510 0.022 0.000 1.037 144 N CA 1.027 53.969 53.050 -0.180 0.000 0.851 144 N CB 0.377 38.708 38.487 -0.260 0.000 1.027 144 N HN 0.114 8.071 8.380 -0.705 0.000 0.422 145 G N -3.503 105.382 108.800 0.142 0.000 2.841 145 G HA2 -0.145 4.239 3.960 0.706 0.000 0.684 145 G HA3 -0.145 3.953 3.960 0.230 0.000 0.684 145 G C -1.975 173.087 174.900 0.269 0.000 1.273 145 G CA -0.730 44.614 45.100 0.407 0.000 0.811 145 G HN -0.486 7.551 8.290 -0.422 0.000 0.631 146 N N 0.598 119.480 118.700 0.302 0.000 2.486 146 N HA -0.051 4.754 4.740 0.110 0.000 0.242 146 N C -1.257 174.311 175.510 0.097 0.000 1.083 146 N CA 0.045 53.193 53.050 0.164 0.000 0.844 146 N CB 1.888 40.488 38.487 0.189 0.000 1.527 146 N HN 0.141 8.716 8.380 0.324 0.000 0.462 147 D N 0.016 120.466 120.400 0.083 0.000 2.198 147 D HA 0.252 4.923 4.640 0.050 0.000 0.247 147 D C -0.295 176.040 176.300 0.059 0.000 1.010 147 D CA -0.511 53.521 54.000 0.054 0.000 0.880 147 D CB 1.878 42.699 40.800 0.035 0.000 1.209 147 D HN -0.353 8.072 8.370 0.092 0.000 0.451 148 E N 1.827 122.060 120.200 0.055 0.000 2.268 148 E HA -0.360 4.024 4.350 0.058 0.000 0.195 148 E C 1.441 178.080 176.600 0.066 0.000 0.995 148 E CA 2.291 58.725 56.400 0.057 0.000 0.836 148 E CB -0.055 29.674 29.700 0.049 0.000 0.763 148 E HN 0.359 8.749 8.360 0.050 0.000 0.491 149 E N -2.835 117.411 120.200 0.076 0.000 2.158 149 E HA -0.211 4.195 4.350 0.093 0.000 0.191 149 E C -0.272 176.398 176.600 0.117 0.000 0.982 149 E CA 0.674 57.136 56.400 0.104 0.000 0.823 149 E CB -0.229 29.554 29.700 0.139 0.000 0.766 149 E HN 0.039 8.405 8.360 0.070 0.036 0.468 150 D N -0.170 120.278 120.400 0.081 0.000 2.351 150 D HA 0.015 4.778 4.640 0.097 -0.065 0.251 150 D C -1.569 174.757 176.300 0.044 0.000 1.137 150 D CA 1.019 55.044 54.000 0.043 0.000 0.879 150 D CB 0.710 41.463 40.800 -0.078 0.000 1.181 150 D HN -0.873 7.437 8.370 0.062 0.098 0.448 151 L N 3.048 124.323 121.223 0.088 0.000 2.407 151 L HA 0.178 4.598 4.340 0.133 0.000 0.282 151 L C -2.318 174.570 176.870 0.029 0.000 1.110 151 L CA -2.171 52.757 54.840 0.147 0.000 0.863 151 L CB 0.771 43.012 42.059 0.303 0.000 1.207 151 L HN -0.318 8.085 8.230 0.124 -0.098 0.454 152 P HA 0.178 4.503 4.420 -0.157 0.000 0.280 152 P C -1.747 175.578 177.300 0.041 0.000 1.386 152 P CA -0.845 62.240 63.100 -0.025 0.000 0.899 152 P CB -0.954 30.803 31.700 0.096 0.000 1.098 153 F N 0.608 120.650 119.950 0.152 0.000 2.579 153 F HA 0.343 5.187 4.527 0.099 -0.257 0.324 153 F C -1.812 174.063 175.800 0.126 0.000 1.058 153 F CA -3.532 54.539 58.000 0.119 0.000 0.944 153 F CB 2.385 41.448 39.000 0.104 0.000 1.245 153 F HN -0.585 7.128 8.300 -0.978 0.000 0.477 154 K N 0.290 120.905 120.400 0.358 0.000 2.123 154 K HA 0.269 4.717 4.320 0.213 0.000 0.259 154 K C -0.497 176.245 176.600 0.236 0.000 0.960 154 K CA -2.338 54.090 56.287 0.236 0.000 0.872 154 K CB 2.043 34.619 32.500 0.126 0.000 1.079 154 K HN -0.239 8.420 8.250 0.325 -0.214 0.440 155 K N 3.076 123.578 120.400 0.171 0.000 2.504 155 K HA -0.476 3.903 4.320 0.098 0.000 0.278 155 K C 0.723 177.325 176.600 0.003 0.000 1.025 155 K CA 2.289 58.620 56.287 0.073 0.000 1.093 155 K CB -0.420 32.082 32.500 0.004 0.000 0.873 155 K HN 0.579 8.922 8.250 0.156 0.000 0.483 156 G N 5.078 113.846 108.800 -0.054 0.000 2.175 156 G HA2 -0.458 3.395 3.960 -0.179 0.000 0.244 156 G HA3 -0.458 3.431 3.960 -0.119 0.000 0.244 156 G C -0.521 174.310 174.900 -0.115 0.000 0.982 156 G CA -0.257 44.769 45.100 -0.123 0.000 0.641 156 G HN 0.361 8.615 8.290 -0.059 0.000 0.527 157 D N 1.964 122.339 120.400 -0.042 0.000 2.348 157 D HA 0.097 4.729 4.640 -0.013 0.000 0.253 157 D C -0.785 175.482 176.300 -0.055 0.000 1.161 157 D CA 0.194 54.184 54.000 -0.015 0.000 0.876 157 D CB 0.539 41.385 40.800 0.077 0.000 1.160 157 D HN -0.172 8.143 8.370 0.004 0.058 0.459 158 I N 3.770 124.332 120.570 -0.014 0.000 2.278 158 I HA 0.159 4.442 4.170 0.005 -0.110 0.296 158 I C 0.085 176.225 176.117 0.038 0.000 1.121 158 I CA -2.156 59.163 61.300 0.032 0.000 1.267 158 I CB -2.038 36.044 38.000 0.136 0.000 1.447 158 I HN 0.275 8.486 8.210 0.001 0.000 0.509 159 L N 5.498 126.717 121.223 -0.007 0.000 2.472 159 L HA 0.579 5.063 4.340 0.047 -0.115 0.256 159 L C -1.118 175.793 176.870 0.069 0.000 1.111 159 L CA -1.326 53.524 54.840 0.017 0.000 0.800 159 L CB 1.700 43.733 42.059 -0.044 0.000 1.286 159 L HN 0.468 8.661 8.230 -0.062 0.000 0.479 160 R N -0.066 120.492 120.500 0.096 0.000 2.483 160 R HA 0.408 5.046 4.340 0.248 -0.149 0.303 160 R C -1.194 175.192 176.300 0.143 0.000 0.987 160 R CA -1.960 54.236 56.100 0.159 0.000 0.881 160 R CB 2.421 32.796 30.300 0.124 0.000 1.177 160 R HN -0.360 7.959 8.270 0.081 0.000 0.451 161 I N 9.082 129.775 120.570 0.204 0.000 2.725 161 I HA -0.163 4.283 4.170 0.127 -0.200 0.296 161 I C 0.757 176.892 176.117 0.030 0.000 1.155 161 I CA -0.947 60.430 61.300 0.127 0.000 1.450 161 I CB -2.661 35.408 38.000 0.114 0.000 1.478 161 I HN 0.113 8.516 8.210 0.322 0.000 0.642 162 R N 4.436 124.945 120.500 0.015 0.000 2.316 162 R HA -0.166 4.161 4.340 -0.023 0.000 0.202 162 R C -0.209 176.043 176.300 -0.081 0.000 1.029 162 R CA 1.279 57.365 56.100 -0.024 0.000 1.018 162 R CB 0.155 30.452 30.300 -0.005 0.000 0.888 162 R HN 0.616 8.812 8.270 0.044 0.100 0.471 163 D N -3.997 116.323 120.400 -0.133 0.000 0.000 163 D HA 0.084 4.589 4.640 -0.225 0.000 0.000 163 D C -2.496 173.579 176.300 -0.374 0.000 0.000 163 D CA 0.112 53.984 54.000 -0.213 0.000 0.000 163 D CB 3.562 44.269 40.800 -0.156 0.000 0.000 163 D HN -0.690 7.543 8.370 -0.115 0.068 0.000 164 K N -1.758 118.364 120.400 -0.464 0.000 2.992 164 K HA 0.462 4.277 4.320 -0.842 0.000 0.178 164 K C -1.766 174.695 176.600 -0.232 0.000 1.122 164 K CA -1.716 54.122 56.287 -0.749 0.000 0.926 164 K CB -0.163 31.516 32.500 -1.369 0.000 1.121 164 K HN 0.212 8.259 8.250 -0.337 0.000 0.610 165 P HA -0.136 4.213 4.420 -0.118 0.000 0.213 165 P C -0.427 176.884 177.300 0.018 0.000 1.176 165 P CA 1.395 64.416 63.100 -0.131 0.000 0.919 165 P CB 0.561 32.036 31.700 -0.374 0.000 0.791 166 E N -5.157 115.110 120.200 0.112 0.000 2.446 166 E HA 0.371 4.841 4.350 0.201 0.000 0.276 166 E C -0.595 176.179 176.600 0.290 0.000 0.969 166 E CA -2.114 54.418 56.400 0.220 0.000 0.800 166 E CB 2.370 32.214 29.700 0.241 0.000 1.341 166 E HN -0.713 7.664 8.360 0.028 0.000 0.460 167 E N -2.237 118.078 120.200 0.191 0.000 2.505 167 E HA -0.302 4.027 4.350 -0.035 0.000 0.197 167 E C -0.339 176.187 176.600 -0.123 0.000 1.111 167 E CA 1.677 58.086 56.400 0.016 0.000 0.887 167 E CB -0.876 28.847 29.700 0.038 0.000 0.913 167 E HN 0.456 8.921 8.360 0.175 0.000 0.517 168 Q N -4.790 115.039 119.800 0.048 0.000 2.159 168 Q HA 0.181 4.454 4.340 -0.112 0.000 0.217 168 Q C -1.362 174.783 176.000 0.241 0.000 0.818 168 Q CA -0.450 55.385 55.803 0.054 0.000 1.008 168 Q CB 0.670 29.447 28.738 0.066 0.000 1.148 168 Q HN -0.295 7.988 8.270 0.207 0.111 0.491 169 W N -4.612 116.536 121.300 -0.253 0.000 4.048 169 W HA 0.194 4.876 4.660 -0.229 -0.160 0.267 169 W C -3.212 173.341 176.519 0.057 0.000 1.213 169 W CA -1.184 56.072 57.345 -0.148 0.000 1.205 169 W CB -0.408 29.021 29.460 -0.051 0.000 1.175 169 W HN -0.546 7.557 8.180 -0.021 0.064 0.567 170 W N 1.000 122.275 121.300 -0.041 0.000 3.459 170 W HA 0.300 4.780 4.660 -0.299 0.000 0.340 170 W C -2.164 174.270 176.519 -0.143 0.000 1.275 170 W CA -2.416 54.830 57.345 -0.165 0.000 0.985 170 W CB 3.140 32.554 29.460 -0.078 0.000 1.745 170 W HN -0.359 7.925 8.180 0.173 0.000 0.627 171 N N -0.960 117.821 118.700 0.135 0.000 2.342 171 N HA 0.926 6.000 4.740 0.070 -0.292 0.293 171 N C -1.495 174.069 175.510 0.091 0.000 1.026 171 N CA -0.755 52.328 53.050 0.055 0.000 0.857 171 N CB 3.512 41.977 38.487 -0.037 0.000 1.256 171 N HN 0.006 8.464 8.380 0.130 0.000 0.484 172 A N 2.680 125.564 122.820 0.108 0.000 2.594 172 A HA 0.695 5.397 4.320 0.085 -0.331 0.295 172 A C -2.447 175.199 177.584 0.104 0.000 1.071 172 A CA -1.352 50.747 52.037 0.103 0.000 0.685 172 A CB 4.278 23.343 19.000 0.109 0.000 1.285 172 A HN 0.496 8.717 8.150 0.118 0.000 0.405 173 E N 0.552 120.805 120.200 0.088 0.000 2.283 173 E HA 0.278 4.865 4.350 0.092 -0.182 0.278 173 E C -1.303 175.359 176.600 0.103 0.000 1.027 173 E CA -0.814 55.639 56.400 0.088 0.000 0.843 173 E CB 2.501 32.241 29.700 0.067 0.000 1.062 173 E HN -0.155 8.254 8.360 0.080 0.000 0.401 174 D N 2.979 123.452 120.400 0.123 0.000 2.332 174 D HA 0.173 4.897 4.640 0.141 0.000 0.252 174 D C 1.072 177.437 176.300 0.108 0.000 1.050 174 D CA -1.512 52.575 54.000 0.145 0.000 0.970 174 D CB 2.630 43.553 40.800 0.205 0.000 1.141 174 D HN 0.787 9.115 8.370 0.117 0.112 0.485 175 S N 0.991 116.755 115.700 0.107 0.000 2.428 175 S HA -0.368 4.145 4.470 0.071 0.000 0.240 175 S C 0.765 175.408 174.600 0.071 0.000 1.036 175 S CA 3.103 61.352 58.200 0.081 0.000 1.009 175 S CB 0.113 63.361 63.200 0.078 0.000 0.803 175 S HN 0.507 8.893 8.310 0.127 0.000 0.486 176 E N -2.792 117.455 120.200 0.079 0.000 2.112 176 E HA -0.061 4.322 4.350 0.055 0.000 0.190 176 E C 0.660 177.294 176.600 0.057 0.000 0.979 176 E CA 0.344 56.783 56.400 0.064 0.000 0.814 176 E CB 0.126 29.866 29.700 0.067 0.000 0.762 176 E HN -0.010 8.512 8.360 0.096 -0.104 0.460 177 G N -1.886 106.953 108.800 0.065 0.000 2.367 177 G HA2 -0.313 3.934 3.960 0.054 0.000 0.181 177 G HA3 -0.313 3.675 3.960 0.047 0.000 0.181 177 G C -1.375 173.560 174.900 0.058 0.000 1.000 177 G CA -0.161 44.972 45.100 0.055 0.000 0.693 177 G HN 0.335 8.568 8.290 0.077 0.103 0.480 178 K N -0.901 119.540 120.400 0.068 0.000 2.090 178 K HA 0.089 4.443 4.320 0.057 0.000 0.250 178 K C -1.139 175.512 176.600 0.085 0.000 1.004 178 K CA -1.106 55.223 56.287 0.069 0.000 0.919 178 K CB 1.307 33.849 32.500 0.069 0.000 1.045 178 K HN -0.487 7.806 8.250 0.073 0.000 0.471 179 R N -1.077 119.471 120.500 0.080 0.000 3.029 179 R HA 1.014 5.626 4.340 0.113 -0.204 0.239 179 R C 0.466 176.829 176.300 0.104 0.000 1.351 179 R CA -2.434 53.721 56.100 0.092 0.000 1.052 179 R CB 3.558 33.897 30.300 0.066 0.000 1.354 179 R HN 0.079 8.390 8.270 0.067 0.000 0.499 180 G N -3.340 105.530 108.800 0.117 0.000 2.367 180 G HA2 0.045 4.146 3.960 0.109 0.000 0.272 180 G HA3 0.045 4.107 3.960 0.137 -0.020 0.272 180 G C -2.312 172.690 174.900 0.170 0.000 1.271 180 G CA 0.129 45.308 45.100 0.132 0.000 0.893 180 G HN -0.440 7.918 8.290 0.113 0.000 0.485 181 M N 0.014 119.748 119.600 0.223 0.000 2.240 181 M HA 0.979 5.949 4.480 0.264 -0.332 0.333 181 M C -0.101 176.388 176.300 0.315 0.000 1.110 181 M CA 0.729 56.207 55.300 0.296 0.000 1.173 181 M CB 1.291 34.139 32.600 0.414 0.000 1.458 181 M HN -0.322 8.134 8.290 0.206 -0.043 0.458 182 I N -7.665 113.079 120.570 0.289 0.000 3.191 182 I HA 0.615 5.086 4.170 0.501 0.000 0.313 182 I C -2.283 173.918 176.117 0.139 0.000 1.193 182 I CA -3.579 57.885 61.300 0.273 0.000 0.968 182 I CB 2.148 40.237 38.000 0.149 0.000 1.262 182 I HN -0.358 8.011 8.210 0.264 0.000 0.456 183 P HA 0.223 4.616 4.420 -0.045 0.000 0.260 183 P C -0.526 176.612 177.300 -0.270 0.000 1.651 183 P CA -0.585 62.521 63.100 0.010 0.000 1.139 183 P CB -1.556 30.346 31.700 0.337 0.000 1.756 184 V N 1.286 120.877 119.914 -0.538 0.000 2.453 184 V HA -0.107 3.414 4.120 -0.997 0.000 0.247 184 V C -0.902 174.698 176.094 -0.825 0.000 1.048 184 V CA 3.227 64.905 62.300 -1.036 0.000 1.049 184 V CB -1.654 29.050 31.823 -1.864 0.000 0.672 184 V HN -0.319 7.601 8.190 -0.450 0.000 0.457 185 P HA 0.014 4.151 4.420 -0.473 0.000 0.241 185 P C -1.547 175.412 177.300 -0.569 0.000 1.191 185 P CA 0.315 62.977 63.100 -0.730 0.000 0.771 185 P CB -0.118 31.049 31.700 -0.889 0.000 0.929 186 Y N -4.796 115.456 120.300 -0.081 0.000 2.265 186 Y HA 0.127 4.662 4.550 -0.025 0.000 0.324 186 Y C -2.727 173.169 175.900 -0.006 0.000 1.197 186 Y CA -2.146 55.946 58.100 -0.012 0.000 1.318 186 Y CB 0.305 38.801 38.460 0.060 0.000 1.223 186 Y HN -0.871 6.884 8.280 -0.588 0.171 0.419 187 V N -2.951 117.019 119.914 0.094 0.000 3.160 187 V HA 0.252 4.408 4.120 0.060 0.000 0.310 187 V C -1.445 174.649 176.094 -0.001 0.000 1.181 187 V CA -3.046 59.270 62.300 0.026 0.000 1.047 187 V CB 2.491 34.281 31.823 -0.054 0.000 1.068 187 V HN -0.416 7.804 8.190 0.050 0.000 0.441 188 E N 1.994 122.177 120.200 -0.028 0.000 2.055 188 E HA 0.107 4.464 4.350 0.012 0.000 0.274 188 E C -0.790 175.819 176.600 0.014 0.000 0.949 188 E CA -1.367 55.033 56.400 -0.001 0.000 0.775 188 E CB 1.105 30.801 29.700 -0.006 0.000 1.097 188 E HN -0.139 8.188 8.360 -0.054 0.000 0.404 189 K N 7.578 127.985 120.400 0.012 0.000 2.199 189 K HA 0.118 4.674 4.320 -0.062 -0.273 0.226 189 K C -0.913 175.740 176.600 0.088 0.000 1.237 189 K CA -0.941 55.352 56.287 0.010 0.000 1.170 189 K CB -1.387 31.123 32.500 0.018 0.000 1.418 189 K HN 0.582 8.841 8.250 0.016 0.000 0.255 190 Y N 3.054 123.345 120.300 -0.015 0.000 2.385 190 Y HA -0.039 4.516 4.550 0.009 0.000 0.341 190 Y C -1.242 174.677 175.900 0.031 0.000 0.965 190 Y CA -1.587 56.516 58.100 0.005 0.000 1.180 190 Y CB 1.891 40.345 38.460 -0.009 0.000 1.139 190 Y HN 0.288 8.630 8.280 0.183 0.047 0.502 191 R N 9.004 129.225 120.500 -0.465 0.000 2.507 191 R HA -0.016 4.236 4.340 -0.147 0.000 0.341 191 R C -1.825 174.117 176.300 -0.597 0.000 0.960 191 R CA -1.426 54.446 56.100 -0.380 0.000 1.032 191 R CB -0.261 29.874 30.300 -0.275 0.000 0.933 191 R HN 0.352 8.387 8.270 -0.392 0.000 0.418 192 P HA 0.144 4.658 4.420 0.157 0.000 0.297 192 P C -1.794 175.515 177.300 0.015 0.000 1.331 192 P CA -0.595 62.530 63.100 0.040 0.000 0.803 192 P CB 0.593 32.411 31.700 0.198 0.000 0.929 193 A N 4.702 127.540 122.820 0.030 0.000 1.985 193 A HA -0.082 4.261 4.320 0.038 0.000 0.278 193 A C -1.604 175.996 177.584 0.026 0.000 0.983 193 A CA 0.204 52.253 52.037 0.021 0.000 0.910 193 A CB 0.493 19.487 19.000 -0.010 0.000 0.978 193 A HN 0.010 8.203 8.150 0.071 0.000 0.336 194 S N 0.887 116.611 115.700 0.041 0.000 1.408 194 S HA -0.019 4.466 4.470 0.026 0.000 0.144 194 S C 0.667 175.291 174.600 0.039 0.000 0.577 194 S CA 1.343 59.566 58.200 0.039 0.000 1.608 194 S CB -0.395 62.837 63.200 0.054 0.000 0.879 194 S HN 0.444 8.781 8.310 0.044 0.000 0.302 195 A N 1.913 124.761 122.820 0.047 0.000 2.121 195 A HA 0.440 4.780 4.320 0.032 0.000 0.215 195 A C 0.171 177.775 177.584 0.034 0.000 1.861 195 A CA 1.262 53.322 52.037 0.039 0.000 0.850 195 A CB 0.186 19.212 19.000 0.043 0.000 1.346 195 A HN 0.046 8.231 8.150 0.059 0.000 0.597 196 S N -1.771 113.953 115.700 0.039 0.000 3.682 196 S HA -0.142 4.351 4.470 0.038 0.000 0.354 196 S C -0.282 174.335 174.600 0.028 0.000 1.034 196 S CA 1.605 59.826 58.200 0.034 0.000 1.084 196 S CB -0.218 62.999 63.200 0.029 0.000 0.903 196 S HN 0.146 8.485 8.310 0.048 0.000 0.470 197 V N -0.847 119.084 119.914 0.028 0.000 3.261 197 V HA 0.103 4.236 4.120 0.022 0.000 0.330 197 V C -1.122 174.987 176.094 0.024 0.000 1.461 197 V CA -0.439 61.875 62.300 0.024 0.000 1.127 197 V CB 0.175 32.010 31.823 0.021 0.000 1.044 197 V HN -0.288 7.915 8.190 0.032 0.007 0.499 198 S N -0.599 115.118 115.700 0.028 0.000 3.459 198 S HA -0.264 4.224 4.470 0.031 0.000 0.622 198 S C 0.220 174.835 174.600 0.024 0.000 0.790 198 S CA 0.395 58.611 58.200 0.028 0.000 1.329 198 S CB -0.119 63.097 63.200 0.026 0.000 1.315 198 S HN -0.295 8.033 8.310 0.031 0.000 0.683 199 A N 5.055 127.890 122.820 0.024 0.000 1.840 199 A HA -0.192 4.138 4.320 0.018 0.000 0.214 199 A C 0.114 177.709 177.584 0.018 0.000 1.198 199 A CA 2.199 54.247 52.037 0.019 0.000 0.608 199 A CB 0.323 19.333 19.000 0.016 0.000 0.839 199 A HN 0.486 8.652 8.150 0.027 0.000 0.443 200 L N -8.142 113.093 121.223 0.020 0.000 2.932 200 L HA 0.098 4.448 4.340 0.017 0.000 0.168 200 L C -0.819 176.066 176.870 0.025 0.000 1.125 200 L CA 0.012 54.864 54.840 0.020 0.000 0.868 200 L CB 0.523 42.593 42.059 0.019 0.000 1.496 200 L HN -0.503 7.741 8.230 0.023 0.000 0.519 201 I N 1.173 121.761 120.570 0.031 0.000 8.192 201 I HA -0.166 4.031 4.170 0.045 0.000 0.126 201 I C -0.324 175.814 176.117 0.034 0.000 1.847 201 I CA 0.455 61.777 61.300 0.037 0.000 2.049 201 I CB -0.965 37.056 38.000 0.034 0.000 3.776 201 I HN -0.330 7.899 8.210 0.033 0.000 0.173 202 G N 6.842 115.666 108.800 0.039 0.000 2.965 202 G HA2 0.100 4.077 3.960 0.030 0.000 0.301 202 G HA3 0.100 4.076 3.960 0.028 0.000 0.301 202 G C -0.375 174.549 174.900 0.039 0.000 1.878 202 G CA 0.176 45.296 45.100 0.034 0.000 0.828 202 G HN -0.040 8.279 8.290 0.048 0.000 0.435 203 G N 2.446 111.272 108.800 0.044 0.000 2.797 203 G HA2 0.080 4.071 3.960 0.051 0.000 0.211 203 G HA3 0.080 4.382 3.960 0.060 -0.305 0.211 203 G C -1.118 173.805 174.900 0.039 0.000 1.236 203 G CA 0.248 45.377 45.100 0.050 0.000 0.833 203 G HN 0.094 8.409 8.290 0.041 0.000 0.624 204 N N 0.000 118.722 118.700 0.037 0.000 1.763 204 N HA 0.000 4.756 4.740 0.027 0.000 0.220 204 N CA 0.000 53.068 53.050 0.031 0.000 0.885 204 N CB 0.000 38.508 38.487 0.034 0.000 1.341 204 N HN 0.000 8.404 8.380 0.040 0.000 0.667