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 1wij_17_A DATA FIRST_RESID 162 DATA SEQUENCE SQFVLQDLQD ATLGSLLSSL MQHCDPPQRK YPLEKGTPPP WWPTGNEEWW DATA SEQUENCE VKLGLPKSQS PPYRKPHDLK KMWKVGVLTA VINHMLPDIA KIKRHVRQSK DATA SEQUENCE CLQDKMTAKE SAIWLAVLNQ EESLIQQ 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 162 S HA 0.000 4.315 4.470 -0.259 0.000 0.327 162 S C 0.000 174.386 174.600 -0.357 0.000 1.055 162 S CA 0.000 58.040 58.200 -0.267 0.000 1.107 162 S CB 0.000 63.038 63.200 -0.269 0.000 0.593 163 Q N 5.378 124.950 119.800 -0.380 0.000 2.309 163 Q HA 0.376 4.497 4.340 -0.364 0.000 0.254 163 Q C -1.492 174.358 176.000 -0.250 0.000 0.938 163 Q CA 0.509 56.123 55.803 -0.315 0.000 0.789 163 Q CB 1.819 30.469 28.738 -0.147 0.000 1.313 163 Q HN 0.164 8.239 8.270 -0.325 0.000 0.438 164 F N 2.252 122.195 119.950 -0.011 0.000 2.399 164 F HA 0.012 4.541 4.527 0.003 0.000 0.313 164 F C 0.006 175.803 175.800 -0.004 0.000 1.202 164 F CA -0.767 57.233 58.000 -0.002 0.000 1.192 164 F CB 1.283 40.287 39.000 0.006 0.000 1.256 164 F HN 0.118 8.197 8.300 -0.369 0.000 0.558 165 V N -6.493 113.561 119.914 0.233 0.000 3.102 165 V HA 0.328 4.504 4.120 0.092 0.000 0.312 165 V C -0.652 175.510 176.094 0.114 0.000 1.135 165 V CA -1.401 60.972 62.300 0.122 0.000 1.022 165 V CB 2.748 34.621 31.823 0.083 0.000 1.056 165 V HN -0.232 8.126 8.190 0.279 0.000 0.436 166 L N 0.140 121.417 121.223 0.090 0.000 2.156 166 L HA -0.157 4.282 4.340 0.165 0.000 0.208 166 L C 2.311 179.235 176.870 0.091 0.000 1.095 166 L CA 2.739 57.650 54.840 0.118 0.000 0.770 166 L CB -0.114 42.013 42.059 0.114 0.000 0.914 166 L HN 0.258 8.526 8.230 0.063 0.000 0.439 167 Q N -1.040 118.799 119.800 0.064 0.000 2.170 167 Q HA -0.316 4.053 4.340 0.048 0.000 0.203 167 Q C 0.691 176.718 176.000 0.045 0.000 0.976 167 Q CA 2.766 58.598 55.803 0.049 0.000 0.858 167 Q CB -0.508 28.252 28.738 0.036 0.000 0.907 167 Q HN 0.156 8.462 8.270 0.058 0.000 0.433 168 D N -3.635 116.797 120.400 0.054 0.000 2.263 168 D HA -0.145 4.517 4.640 0.036 0.000 0.208 168 D C 0.454 176.766 176.300 0.020 0.000 0.971 168 D CA 1.260 55.285 54.000 0.041 0.000 0.867 168 D CB -0.163 40.672 40.800 0.059 0.000 0.929 168 D HN -0.095 8.293 8.370 0.067 0.023 0.492 169 L N -1.363 119.878 121.223 0.030 0.000 2.467 169 L HA -0.106 4.228 4.340 -0.010 0.000 0.270 169 L C 0.173 177.043 176.870 -0.000 0.000 1.205 169 L CA 0.356 55.202 54.840 0.010 0.000 0.828 169 L CB 0.456 42.535 42.059 0.032 0.000 1.101 169 L HN -0.668 7.431 8.230 0.052 0.162 0.479 170 Q N -0.245 119.544 119.800 -0.019 0.000 2.373 170 Q HA -0.039 4.295 4.340 -0.009 0.000 0.255 170 Q C 0.881 176.869 176.000 -0.019 0.000 0.980 170 Q CA -0.054 55.737 55.803 -0.019 0.000 0.882 170 Q CB 1.384 30.105 28.738 -0.028 0.000 1.249 170 Q HN 0.056 8.307 8.270 -0.031 0.000 0.438 171 D N 2.828 123.222 120.400 -0.009 0.000 2.182 171 D HA -0.365 4.278 4.640 0.005 0.000 0.201 171 D C 1.587 177.876 176.300 -0.019 0.000 0.986 171 D CA 3.834 57.831 54.000 -0.004 0.000 0.847 171 D CB 0.221 41.024 40.800 0.004 0.000 0.942 171 D HN 0.604 8.971 8.370 -0.005 0.000 0.467 172 A N -1.569 121.234 122.820 -0.028 0.000 1.840 172 A HA -0.138 4.162 4.320 -0.033 0.000 0.214 172 A C 1.802 179.351 177.584 -0.059 0.000 1.198 172 A CA 3.008 55.023 52.037 -0.038 0.000 0.608 172 A CB -0.844 18.136 19.000 -0.035 0.000 0.839 172 A HN -0.010 8.099 8.150 -0.025 0.026 0.443 173 T N -1.291 113.220 114.554 -0.072 0.000 2.759 173 T HA -0.388 3.894 4.350 -0.114 0.000 0.269 173 T C 1.839 176.442 174.700 -0.162 0.000 1.042 173 T CA 3.057 65.088 62.100 -0.115 0.000 1.140 173 T CB -0.723 68.076 68.868 -0.116 0.000 0.864 173 T HN -0.325 7.880 8.240 -0.060 0.000 0.455 174 L N 1.016 122.165 121.223 -0.123 0.000 2.046 174 L HA -0.329 3.874 4.340 -0.227 0.000 0.208 174 L C 2.049 178.854 176.870 -0.107 0.000 1.077 174 L CA 2.864 57.626 54.840 -0.131 0.000 0.747 174 L CB -0.364 41.671 42.059 -0.040 0.000 0.896 174 L HN 0.354 8.525 8.230 -0.083 0.010 0.432 175 G N -3.536 105.227 108.800 -0.061 0.000 2.443 175 G HA2 -0.362 3.596 3.960 -0.003 0.000 0.219 175 G HA3 -0.362 3.587 3.960 -0.019 0.000 0.219 175 G C 1.323 176.189 174.900 -0.056 0.000 1.131 175 G CA 1.941 47.022 45.100 -0.032 0.000 0.775 175 G HN -0.383 7.875 8.290 -0.053 0.000 0.547 176 S N 1.919 117.563 115.700 -0.092 0.000 2.371 176 S HA -0.133 4.298 4.470 -0.066 0.000 0.224 176 S C 1.919 176.441 174.600 -0.129 0.000 1.029 176 S CA 2.664 60.806 58.200 -0.097 0.000 0.978 176 S CB -0.131 63.008 63.200 -0.102 0.000 0.833 176 S HN -0.637 7.474 8.310 -0.104 0.136 0.466 177 L N 1.341 122.425 121.223 -0.231 0.000 1.994 177 L HA -0.370 3.821 4.340 -0.248 0.000 0.208 177 L C 1.891 178.676 176.870 -0.142 0.000 1.071 177 L CA 3.139 57.788 54.840 -0.318 0.000 0.745 177 L CB -0.075 41.496 42.059 -0.814 0.000 0.892 177 L HN -0.273 7.799 8.230 -0.264 0.000 0.431 178 L N -1.623 119.536 121.223 -0.106 0.000 1.989 178 L HA -0.392 3.979 4.340 0.052 0.000 0.211 178 L C 2.123 178.989 176.870 -0.007 0.000 1.071 178 L CA 3.311 58.153 54.840 0.005 0.000 0.749 178 L CB -0.357 41.735 42.059 0.054 0.000 0.890 178 L HN -0.333 7.807 8.230 -0.150 0.000 0.431 179 S N -1.922 113.767 115.700 -0.019 0.000 2.419 179 S HA -0.311 4.150 4.470 -0.016 0.000 0.235 179 S C 1.893 176.450 174.600 -0.072 0.000 1.019 179 S CA 3.105 61.287 58.200 -0.030 0.000 0.982 179 S CB -0.311 62.876 63.200 -0.021 0.000 0.789 179 S HN -0.355 7.940 8.310 -0.024 0.000 0.490 180 S N 1.318 116.979 115.700 -0.064 0.000 2.414 180 S HA -0.037 4.374 4.470 -0.098 0.000 0.227 180 S C 1.117 175.636 174.600 -0.136 0.000 1.022 180 S CA 2.643 60.801 58.200 -0.071 0.000 0.958 180 S CB 0.363 63.567 63.200 0.006 0.000 0.797 180 S HN -0.356 7.783 8.310 -0.053 0.140 0.493 181 L N -5.907 115.276 121.223 -0.068 0.000 2.818 181 L HA 0.518 4.776 4.340 -0.136 0.000 0.243 181 L C -0.837 175.934 176.870 -0.166 0.000 1.185 181 L CA -0.482 54.315 54.840 -0.072 0.000 0.988 181 L CB -0.930 41.228 42.059 0.165 0.000 1.292 181 L HN -0.350 7.756 8.230 -0.021 0.112 0.519 182 M N -1.420 118.048 119.600 -0.220 0.000 2.541 182 M HA -0.114 4.147 4.480 -0.365 0.000 0.252 182 M C 0.291 176.350 176.300 -0.403 0.000 1.125 182 M CA 2.142 57.266 55.300 -0.293 0.000 1.091 182 M CB -0.016 32.499 32.600 -0.143 0.000 1.420 182 M HN -0.795 7.199 8.290 -0.194 0.179 0.486 183 Q N -2.442 117.113 119.800 -0.409 0.000 2.392 183 Q HA -0.152 3.995 4.340 -0.322 0.000 0.219 183 Q C 0.724 176.487 176.000 -0.396 0.000 0.895 183 Q CA 1.029 56.592 55.803 -0.400 0.000 0.929 183 Q CB 0.515 29.014 28.738 -0.397 0.000 1.077 183 Q HN -0.161 7.796 8.270 -0.447 0.045 0.532 184 H N -2.327 116.582 119.070 -0.269 0.000 2.559 184 H HA -0.078 4.372 4.556 -0.177 0.000 0.273 184 H C -0.055 175.146 175.328 -0.212 0.000 1.000 184 H CA 0.304 56.217 56.048 -0.226 0.000 1.195 184 H CB -0.435 29.164 29.762 -0.271 0.000 1.368 184 H HN 0.196 8.156 8.280 -0.533 0.000 0.592 185 C N -1.084 118.059 119.300 -0.262 0.000 2.676 185 C HA -0.177 4.191 4.460 -0.154 0.000 0.416 185 C C -1.282 173.559 174.990 -0.247 0.000 1.299 185 C CA 1.087 59.886 59.018 -0.365 0.000 2.048 185 C CB 0.441 27.568 27.740 -1.022 0.000 2.713 185 C HN -0.425 7.510 8.230 -0.377 0.069 0.624 186 D N 3.081 123.457 120.400 -0.040 0.000 2.629 186 D HA 0.410 5.132 4.640 -0.014 -0.090 0.250 186 D C -2.155 174.254 176.300 0.183 0.000 1.126 186 D CA -1.616 52.420 54.000 0.061 0.000 0.852 186 D CB 3.326 44.186 40.800 0.099 0.000 1.335 186 D HN 0.214 8.648 8.370 0.107 0.000 0.518 187 P HA 0.344 4.787 4.420 0.038 0.000 0.280 187 P C -2.620 174.616 177.300 -0.107 0.000 1.244 187 P CA -1.418 61.692 63.100 0.017 0.000 0.784 187 P CB -0.457 31.278 31.700 0.058 0.000 0.913 188 P HA -0.100 4.257 4.420 -0.238 -0.080 0.271 188 P C 0.145 177.367 177.300 -0.129 0.000 1.238 188 P CA -0.159 62.855 63.100 -0.144 0.000 0.794 188 P CB 0.650 32.295 31.700 -0.091 0.000 0.959 189 Q N 1.736 121.516 119.800 -0.033 0.000 2.894 189 Q HA -0.032 4.297 4.340 -0.019 0.000 0.358 189 Q C -0.253 175.815 176.000 0.113 0.000 1.155 189 Q CA -0.290 55.550 55.803 0.062 0.000 0.960 189 Q CB -1.743 27.082 28.738 0.145 0.000 1.428 189 Q HN 0.422 8.652 8.270 -0.067 0.000 0.437 190 R N 0.008 120.581 120.500 0.121 0.000 2.056 190 R HA -0.156 4.235 4.340 0.085 0.000 0.220 190 R C 0.539 176.947 176.300 0.180 0.000 1.187 190 R CA 2.052 58.228 56.100 0.127 0.000 0.932 190 R CB 0.505 30.867 30.300 0.105 0.000 0.821 190 R HN -0.322 7.910 8.270 0.087 0.090 0.449 191 K N -1.966 118.584 120.400 0.251 0.000 2.811 191 K HA 0.109 4.503 4.320 0.125 0.000 0.217 191 K C -1.203 175.516 176.600 0.197 0.000 1.115 191 K CA 0.177 56.572 56.287 0.180 0.000 1.179 191 K CB 0.020 32.585 32.500 0.108 0.000 0.994 191 K HN -0.007 8.427 8.250 0.306 0.000 0.464 192 Y N 1.223 121.565 120.300 0.070 0.000 2.420 192 Y HA 0.282 4.862 4.550 0.049 0.000 0.334 192 Y C -1.653 174.287 175.900 0.067 0.000 1.094 192 Y CA -2.332 55.815 58.100 0.077 0.000 1.126 192 Y CB 0.662 39.199 38.460 0.128 0.000 1.217 192 Y HN -0.063 8.374 8.280 0.417 0.094 0.462 193 P HA 0.037 4.450 4.420 -0.011 0.000 0.291 193 P C -1.927 175.366 177.300 -0.010 0.000 1.287 193 P CA -0.099 62.999 63.100 -0.004 0.000 0.767 193 P CB 1.073 32.709 31.700 -0.106 0.000 1.290 194 L N -3.017 118.100 121.223 -0.177 0.000 2.691 194 L HA 0.200 4.391 4.340 -0.248 0.000 0.185 194 L C 0.400 176.931 176.870 -0.564 0.000 1.081 194 L CA 1.351 56.017 54.840 -0.290 0.000 0.865 194 L CB 0.194 42.192 42.059 -0.101 0.000 1.370 194 L HN -0.113 8.012 8.230 -0.174 0.000 0.488 195 E N -1.776 118.212 120.200 -0.354 0.000 2.494 195 E HA -0.040 4.084 4.350 -0.378 0.000 0.193 195 E C 0.778 177.169 176.600 -0.347 0.000 1.074 195 E CA 1.144 57.344 56.400 -0.332 0.000 0.867 195 E CB -0.342 29.239 29.700 -0.199 0.000 0.924 195 E HN 0.061 8.275 8.360 -0.244 0.000 0.502 196 K N -1.722 118.431 120.400 -0.411 0.000 2.168 196 K HA 0.064 4.243 4.320 -0.236 0.000 0.201 196 K C 0.030 176.389 176.600 -0.401 0.000 1.049 196 K CA 0.045 56.139 56.287 -0.321 0.000 0.974 196 K CB 0.484 32.843 32.500 -0.236 0.000 0.792 196 K HN -0.202 7.671 8.250 -0.471 0.095 0.463 197 G N -0.362 108.013 108.800 -0.709 0.000 2.686 197 G HA2 -0.242 3.054 3.960 -1.105 0.000 0.211 197 G HA3 -0.242 3.295 3.960 -0.705 0.000 0.211 197 G C -0.633 174.097 174.900 -0.285 0.000 0.829 197 G CA 0.086 44.747 45.100 -0.731 0.000 0.993 197 G HN -0.003 7.714 8.290 -0.956 0.000 0.330 198 T N 0.838 115.316 114.554 -0.127 0.000 2.747 198 T HA 0.250 4.589 4.350 -0.019 0.000 0.301 198 T C -0.311 174.397 174.700 0.015 0.000 0.952 198 T CA -3.090 58.999 62.100 -0.017 0.000 0.983 198 T CB 0.325 69.258 68.868 0.108 0.000 0.930 198 T HN -0.265 7.956 8.240 -0.031 0.000 0.494 199 P HA 0.084 4.731 4.420 0.248 -0.078 0.215 199 P C -0.714 176.649 177.300 0.105 0.000 1.157 199 P CA 2.646 65.828 63.100 0.137 0.000 0.863 199 P CB -1.707 30.048 31.700 0.092 0.000 0.787 200 P HA -0.047 4.437 4.420 0.107 0.000 0.214 200 P C -0.561 176.808 177.300 0.115 0.000 1.163 200 P CA 3.080 66.242 63.100 0.103 0.000 0.889 200 P CB -2.030 29.729 31.700 0.098 0.000 0.790 201 P HA -0.160 4.358 4.420 0.163 0.000 0.212 201 P C -1.255 176.065 177.300 0.033 0.000 1.178 201 P CA 1.839 64.998 63.100 0.099 0.000 0.915 201 P CB 0.482 32.206 31.700 0.042 0.000 0.788 202 W N -8.066 113.178 121.300 -0.093 0.000 1.478 202 W HA 0.188 4.727 4.660 -0.203 0.000 0.319 202 W C -2.529 174.150 176.519 0.266 0.000 1.008 202 W CA -1.210 56.062 57.345 -0.122 0.000 0.954 202 W CB -0.748 28.515 29.460 -0.327 0.000 0.957 202 W HN -0.656 7.368 8.180 -0.259 0.000 0.334 203 W N 2.042 123.332 121.300 -0.016 0.000 3.571 203 W HA 0.409 5.143 4.660 0.124 0.000 0.294 203 W C -2.698 173.845 176.519 0.040 0.000 1.257 203 W CA -1.735 55.620 57.345 0.017 0.000 1.206 203 W CB 3.381 32.791 29.460 -0.084 0.000 1.325 203 W HN -0.185 8.130 8.180 0.224 0.000 0.546 204 P HA 0.034 4.377 4.420 -0.128 0.000 0.272 204 P C -1.391 175.799 177.300 -0.182 0.000 1.248 204 P CA 0.565 63.510 63.100 -0.259 0.000 0.799 204 P CB 1.096 32.433 31.700 -0.605 0.000 0.997 205 T N -6.527 107.835 114.554 -0.320 0.000 3.075 205 T HA 0.031 4.318 4.350 -0.104 0.000 0.251 205 T C -0.548 173.933 174.700 -0.365 0.000 0.979 205 T CA 0.390 62.355 62.100 -0.226 0.000 1.033 205 T CB 1.581 70.366 68.868 -0.138 0.000 1.104 205 T HN -0.145 7.828 8.240 -0.445 0.000 0.473 206 G N 1.446 109.861 108.800 -0.642 0.000 2.462 206 G HA2 -0.155 3.017 3.960 -1.314 0.000 0.124 206 G HA3 -0.155 3.551 3.960 -0.423 0.000 0.124 206 G C -2.027 172.628 174.900 -0.408 0.000 1.062 206 G CA -0.050 44.633 45.100 -0.695 0.000 0.764 206 G HN -0.024 7.841 8.290 -0.708 0.000 0.485 207 N N -3.106 115.343 118.700 -0.418 0.000 2.542 207 N HA -0.006 4.641 4.740 -0.154 0.000 0.253 207 N C -1.619 173.760 175.510 -0.218 0.000 1.461 207 N CA -0.200 52.718 53.050 -0.219 0.000 1.115 207 N CB 0.422 38.825 38.487 -0.140 0.000 1.439 207 N HN 0.001 8.036 8.380 -0.576 0.000 0.533 208 E N 0.178 120.173 120.200 -0.342 0.000 2.214 208 E HA 0.255 4.484 4.350 -0.202 0.000 0.274 208 E C -0.285 176.136 176.600 -0.298 0.000 0.977 208 E CA -1.196 54.969 56.400 -0.391 0.000 0.827 208 E CB 1.341 30.498 29.700 -0.905 0.000 1.130 208 E HN -0.509 7.596 8.360 -0.426 0.000 0.394 209 E N 3.016 123.148 120.200 -0.114 0.000 2.160 209 E HA -0.264 4.076 4.350 -0.017 0.000 0.195 209 E C 1.917 178.540 176.600 0.039 0.000 0.991 209 E CA 3.329 59.729 56.400 0.000 0.000 0.810 209 E CB -0.015 29.737 29.700 0.086 0.000 0.742 209 E HN 0.746 9.085 8.360 -0.034 0.000 0.466 210 W N -2.871 118.468 121.300 0.066 0.000 2.576 210 W HA 0.075 4.742 4.660 0.011 0.000 0.270 210 W C 0.780 177.329 176.519 0.049 0.000 1.255 210 W CA 0.907 58.277 57.345 0.042 0.000 1.314 210 W CB -0.946 28.535 29.460 0.035 0.000 1.101 210 W HN -0.237 7.894 8.180 -0.049 0.019 0.595 211 W N 2.510 123.261 121.300 -0.915 0.000 2.392 211 W HA -0.377 3.841 4.660 -0.738 0.000 0.279 211 W C 0.661 176.958 176.519 -0.370 0.000 1.225 211 W CA 3.029 59.873 57.345 -0.834 0.000 1.233 211 W CB 0.059 28.883 29.460 -1.060 0.000 1.122 211 W HN -0.176 7.239 8.180 -1.107 0.100 0.561 212 V N -1.132 118.707 119.914 -0.125 0.000 2.725 212 V HA -0.359 3.691 4.120 -0.116 0.000 0.247 212 V C 1.531 177.566 176.094 -0.098 0.000 1.058 212 V CA 2.095 64.338 62.300 -0.095 0.000 1.080 212 V CB 0.183 31.988 31.823 -0.031 0.000 0.713 212 V HN -0.679 7.419 8.190 -0.110 0.026 0.465 213 K N -1.037 119.331 120.400 -0.053 0.000 2.057 213 K HA -0.287 4.018 4.320 -0.025 0.000 0.206 213 K C 2.216 178.783 176.600 -0.055 0.000 1.050 213 K CA 2.584 58.858 56.287 -0.022 0.000 0.935 213 K CB -0.002 32.521 32.500 0.038 0.000 0.715 213 K HN -0.782 7.360 8.250 -0.029 0.091 0.439 214 L N -3.185 117.986 121.223 -0.086 0.000 2.012 214 L HA -0.239 4.060 4.340 -0.069 0.000 0.210 214 L C 0.947 177.700 176.870 -0.195 0.000 1.073 214 L CA 1.931 56.691 54.840 -0.133 0.000 0.748 214 L CB 0.808 42.756 42.059 -0.185 0.000 0.891 214 L HN -0.130 8.058 8.230 -0.070 0.000 0.431 215 G N -4.580 104.051 108.800 -0.280 0.000 2.247 215 G HA2 -0.278 3.575 3.960 -0.178 0.000 0.111 215 G HA3 -0.278 3.578 3.960 -0.173 0.000 0.111 215 G C -0.922 173.775 174.900 -0.339 0.000 1.045 215 G CA -0.609 44.349 45.100 -0.237 0.000 0.715 215 G HN -0.731 7.351 8.290 -0.346 0.000 0.485 216 L N -0.045 120.821 121.223 -0.595 0.000 2.334 216 L HA 0.487 4.549 4.340 -0.464 0.000 0.272 216 L C -1.745 174.964 176.870 -0.268 0.000 1.020 216 L CA -3.199 51.212 54.840 -0.716 0.000 0.812 216 L CB 0.052 40.983 42.059 -1.880 0.000 1.264 216 L HN -0.605 7.217 8.230 -0.680 0.000 0.439 217 P HA -0.073 4.414 4.420 0.112 0.000 0.264 217 P C -1.323 176.175 177.300 0.329 0.000 1.183 217 P CA -0.014 63.203 63.100 0.195 0.000 0.763 217 P CB 0.372 32.229 31.700 0.262 0.000 0.807 218 K N 4.073 124.585 120.400 0.186 0.000 2.234 218 K HA -0.075 4.377 4.320 0.220 0.000 0.282 218 K C 0.056 176.708 176.600 0.086 0.000 1.039 218 K CA 0.674 57.050 56.287 0.149 0.000 0.928 218 K CB 0.549 33.096 32.500 0.078 0.000 1.039 218 K HN 0.026 8.350 8.250 0.123 0.000 0.470 219 S N 1.331 117.042 115.700 0.018 0.000 3.521 219 S HA -0.429 4.115 4.470 -0.068 -0.115 0.328 219 S C -1.209 173.405 174.600 0.022 0.000 1.165 219 S CA 1.616 59.807 58.200 -0.015 0.000 0.941 219 S CB -0.661 62.537 63.200 -0.003 0.000 0.951 219 S HN 0.569 8.779 8.310 -0.021 0.088 0.539 220 Q N -1.659 118.183 119.800 0.070 0.000 2.903 220 Q HA 0.106 4.498 4.340 0.087 0.000 0.342 220 Q C -1.768 174.357 176.000 0.209 0.000 0.808 220 Q CA -1.163 54.717 55.803 0.128 0.000 1.004 220 Q CB 0.649 29.484 28.738 0.161 0.000 1.470 220 Q HN -0.416 7.875 8.270 0.083 0.029 0.387 221 S N 2.535 118.292 115.700 0.096 0.000 2.399 221 S HA 0.229 4.928 4.470 0.382 0.000 0.301 221 S C -1.016 173.749 174.600 0.276 0.000 1.093 221 S CA -2.620 55.675 58.200 0.158 0.000 1.077 221 S CB 0.662 63.742 63.200 -0.201 0.000 0.980 221 S HN -0.268 8.044 8.310 0.002 0.000 0.494 222 P HA 0.351 4.845 4.420 0.123 0.000 0.275 222 P C -1.982 175.469 177.300 0.253 0.000 1.266 222 P CA -1.479 61.757 63.100 0.226 0.000 0.793 222 P CB -0.617 31.158 31.700 0.124 0.000 1.074 223 P HA 0.006 4.164 4.420 -0.436 0.000 0.277 223 P C -1.216 175.814 177.300 -0.451 0.000 1.276 223 P CA -0.485 62.405 63.100 -0.349 0.000 0.788 223 P CB 0.521 31.949 31.700 -0.453 0.000 1.114 224 Y N -3.795 115.903 120.300 -1.003 0.000 2.316 224 Y HA 0.081 4.337 4.550 -0.489 0.000 0.331 224 Y C -1.828 173.827 175.900 -0.408 0.000 1.083 224 Y CA -0.699 56.791 58.100 -1.016 0.000 1.206 224 Y CB 0.536 37.751 38.460 -2.077 0.000 1.195 224 Y HN 0.014 7.351 8.280 -1.572 0.000 0.497 225 R N 2.699 123.209 120.500 0.016 0.000 3.003 225 R HA 0.222 4.567 4.340 0.007 0.000 0.251 225 R C -0.699 175.681 176.300 0.132 0.000 1.265 225 R CA -1.892 54.226 56.100 0.029 0.000 1.026 225 R CB 2.909 33.180 30.300 -0.048 0.000 1.307 225 R HN 0.000 8.349 8.270 0.130 0.000 0.475 226 K N 0.184 120.648 120.400 0.106 0.000 2.230 226 K HA 0.074 4.482 4.320 0.147 0.000 0.253 226 K C 0.175 176.861 176.600 0.144 0.000 1.008 226 K CA -0.975 55.395 56.287 0.138 0.000 0.910 226 K CB -0.194 32.394 32.500 0.146 0.000 0.994 226 K HN 0.266 8.555 8.250 0.066 0.000 0.495 227 P HA -0.226 4.261 4.420 0.112 0.000 0.220 227 P C 0.905 178.233 177.300 0.046 0.000 1.144 227 P CA 2.062 65.210 63.100 0.081 0.000 0.800 227 P CB -0.051 31.666 31.700 0.029 0.000 0.772 228 H N -5.250 113.838 119.070 0.031 0.000 2.353 228 H HA -0.259 4.308 4.556 0.017 0.000 0.298 228 H C 0.509 175.836 175.328 -0.002 0.000 1.103 228 H CA 2.965 59.021 56.048 0.013 0.000 1.293 228 H CB -0.099 29.665 29.762 0.004 0.000 1.372 228 H HN -0.162 8.193 8.280 0.207 0.049 0.501 229 D N -2.093 118.371 120.400 0.106 0.000 2.895 229 D HA 0.191 4.834 4.640 0.004 0.000 0.258 229 D C -0.750 175.512 176.300 -0.063 0.000 1.311 229 D CA -0.231 53.768 54.000 -0.000 0.000 0.843 229 D CB 0.352 41.125 40.800 -0.045 0.000 1.055 229 D HN -0.504 7.933 8.370 0.125 0.008 0.486 230 L N -0.455 120.775 121.223 0.013 0.000 2.462 230 L HA 0.152 4.484 4.340 -0.014 0.000 0.255 230 L C -1.194 175.754 176.870 0.130 0.000 1.076 230 L CA -0.726 54.157 54.840 0.072 0.000 0.920 230 L CB 1.124 43.282 42.059 0.164 0.000 1.214 230 L HN -0.611 7.562 8.230 0.039 0.080 0.472 231 K N 2.171 122.663 120.400 0.152 0.000 2.344 231 K HA -0.210 4.175 4.320 0.108 0.000 0.260 231 K C 0.951 177.669 176.600 0.197 0.000 0.988 231 K CA 0.727 57.116 56.287 0.170 0.000 0.909 231 K CB 0.852 33.472 32.500 0.201 0.000 0.968 231 K HN 0.149 8.455 8.250 0.093 0.000 0.505 232 K N 1.047 121.525 120.400 0.130 0.000 2.020 232 K HA -0.384 3.996 4.320 0.100 0.000 0.212 232 K C 2.682 179.351 176.600 0.114 0.000 1.050 232 K CA 3.918 60.268 56.287 0.104 0.000 0.929 232 K CB -0.050 32.489 32.500 0.066 0.000 0.714 232 K HN 0.380 8.692 8.250 0.105 0.000 0.443 233 M N -1.269 118.391 119.600 0.100 0.000 2.213 233 M HA -0.291 4.197 4.480 0.013 0.000 0.263 233 M C 2.044 178.363 176.300 0.031 0.000 1.062 233 M CA 4.107 59.429 55.300 0.037 0.000 1.105 233 M CB -0.197 32.398 32.600 -0.008 0.000 1.385 233 M HN 0.049 8.400 8.290 0.102 0.000 0.417 234 W N -1.284 120.023 121.300 0.012 0.000 2.418 234 W HA -0.375 4.285 4.660 0.000 0.000 0.292 234 W C 1.564 178.138 176.519 0.092 0.000 1.213 234 W CA 3.316 60.690 57.345 0.048 0.000 1.283 234 W CB -0.168 29.350 29.460 0.097 0.000 1.119 234 W HN -0.110 8.156 8.180 0.343 0.119 0.542 235 K N -1.009 119.593 120.400 0.336 0.000 2.152 235 K HA -0.397 4.111 4.320 0.313 0.000 0.206 235 K C 2.417 179.123 176.600 0.177 0.000 1.048 235 K CA 3.610 60.048 56.287 0.252 0.000 0.933 235 K CB -0.199 32.404 32.500 0.172 0.000 0.721 235 K HN 0.265 8.499 8.250 0.302 0.197 0.447 236 V N -1.245 118.740 119.914 0.117 0.000 2.488 236 V HA -0.347 3.824 4.120 0.085 0.000 0.246 236 V C 1.760 177.884 176.094 0.051 0.000 1.046 236 V CA 3.557 65.899 62.300 0.070 0.000 1.053 236 V CB -0.508 31.336 31.823 0.035 0.000 0.679 236 V HN -0.689 7.546 8.190 0.111 0.021 0.458 237 G N -0.692 108.128 108.800 0.034 0.000 2.418 237 G HA2 -0.292 3.835 3.960 0.278 0.000 0.217 237 G HA3 -0.292 3.629 3.960 -0.066 0.000 0.217 237 G C 1.373 176.394 174.900 0.201 0.000 1.158 237 G CA 2.280 47.459 45.100 0.130 0.000 0.771 237 G HN -0.688 7.515 8.290 -0.011 0.080 0.545 238 V N 2.080 122.082 119.914 0.147 0.000 2.427 238 V HA -0.513 3.510 4.120 -0.162 0.000 0.248 238 V C 1.396 177.519 176.094 0.048 0.000 1.051 238 V CA 3.596 65.909 62.300 0.021 0.000 1.048 238 V CB -0.050 31.843 31.823 0.117 0.000 0.666 238 V HN -0.366 7.943 8.190 0.198 0.000 0.456 239 L N -1.025 120.257 121.223 0.099 0.000 2.042 239 L HA -0.474 3.957 4.340 0.151 0.000 0.210 239 L C 1.956 178.845 176.870 0.032 0.000 1.076 239 L CA 3.886 58.794 54.840 0.112 0.000 0.749 239 L CB -0.322 41.826 42.059 0.148 0.000 0.893 239 L HN -0.500 7.803 8.230 0.122 0.000 0.432 240 T N 0.544 115.039 114.554 -0.098 0.000 2.746 240 T HA -0.421 3.782 4.350 -0.245 0.000 0.267 240 T C 1.379 175.926 174.700 -0.255 0.000 1.039 240 T CA 4.877 66.790 62.100 -0.312 0.000 1.142 240 T CB -0.274 68.136 68.868 -0.764 0.000 0.866 240 T HN -0.445 7.739 8.240 -0.078 0.009 0.444 241 A N 1.314 124.062 122.820 -0.121 0.000 1.933 241 A HA -0.302 4.054 4.320 0.061 0.000 0.218 241 A C 1.979 179.630 177.584 0.113 0.000 1.175 241 A CA 3.080 55.139 52.037 0.038 0.000 0.628 241 A CB -0.760 18.266 19.000 0.044 0.000 0.814 241 A HN -0.583 7.437 8.150 -0.084 0.079 0.444 242 V N -1.226 118.760 119.914 0.120 0.000 2.358 242 V HA -0.423 3.839 4.120 0.236 0.000 0.246 242 V C 1.854 178.026 176.094 0.130 0.000 1.047 242 V CA 3.316 65.716 62.300 0.168 0.000 1.035 242 V CB -0.647 31.266 31.823 0.150 0.000 0.658 242 V HN -0.544 7.588 8.190 0.081 0.107 0.452 243 I N -0.282 120.323 120.570 0.059 0.000 2.252 243 I HA -0.553 3.634 4.170 0.029 0.000 0.245 243 I C 0.981 177.095 176.117 -0.004 0.000 1.102 243 I CA 3.787 65.089 61.300 0.005 0.000 1.385 243 I CB -0.396 37.556 38.000 -0.081 0.000 1.064 243 I HN -0.495 7.736 8.210 0.034 0.000 0.414 244 N N -3.728 114.967 118.700 -0.008 0.000 2.205 244 N HA -0.257 4.463 4.740 -0.033 0.000 0.186 244 N C 2.223 177.785 175.510 0.086 0.000 1.015 244 N CA 2.382 55.439 53.050 0.011 0.000 0.862 244 N CB -0.231 38.265 38.487 0.015 0.000 0.986 244 N HN -0.263 8.097 8.380 -0.034 0.000 0.429 245 H N 0.480 119.580 119.070 0.049 0.000 2.372 245 H HA 0.018 4.623 4.556 0.080 0.000 0.301 245 H C 1.018 176.369 175.328 0.038 0.000 1.065 245 H CA 2.603 58.695 56.048 0.073 0.000 1.364 245 H CB 0.712 30.553 29.762 0.133 0.000 1.406 245 H HN -0.645 7.656 8.280 0.233 0.119 0.521 246 M N -1.615 117.998 119.600 0.022 0.000 2.530 246 M HA -0.027 4.375 4.480 -0.129 0.000 0.231 246 M C 0.950 177.217 176.300 -0.054 0.000 1.180 246 M CA -0.049 55.224 55.300 -0.044 0.000 0.985 246 M CB -0.245 32.375 32.600 0.034 0.000 1.623 246 M HN -0.409 7.955 8.290 0.123 0.000 0.475 247 L N 2.640 123.829 121.223 -0.058 0.000 1.989 247 L HA -0.280 4.019 4.340 -0.069 0.000 0.211 247 L C -0.936 175.894 176.870 -0.066 0.000 1.071 247 L CA 5.657 60.460 54.840 -0.063 0.000 0.749 247 L CB -2.105 39.923 42.059 -0.052 0.000 0.890 247 L HN -0.793 7.205 8.230 -0.048 0.202 0.431 248 P HA -0.187 4.201 4.420 -0.053 0.000 0.219 248 P C -0.225 177.040 177.300 -0.059 0.000 1.144 248 P CA 1.531 64.592 63.100 -0.064 0.000 0.806 248 P CB -0.165 31.491 31.700 -0.074 0.000 0.771 249 D N -2.202 118.162 120.400 -0.062 0.000 2.517 249 D HA 0.203 4.814 4.640 -0.049 0.000 0.301 249 D C -0.352 175.916 176.300 -0.053 0.000 1.202 249 D CA -0.690 53.279 54.000 -0.051 0.000 0.910 249 D CB -0.530 40.244 40.800 -0.044 0.000 1.021 249 D HN -0.423 7.741 8.370 -0.069 0.165 0.499 250 I N 1.660 122.191 120.570 -0.064 0.000 2.163 250 I HA -0.448 3.669 4.170 -0.089 0.000 0.240 250 I C 1.532 177.598 176.117 -0.084 0.000 1.081 250 I CA 3.278 64.528 61.300 -0.082 0.000 1.353 250 I CB 0.120 38.065 38.000 -0.091 0.000 1.054 250 I HN -0.480 7.693 8.210 -0.062 0.000 0.407 251 A N -1.216 121.560 122.820 -0.072 0.000 2.024 251 A HA -0.373 3.899 4.320 -0.080 0.000 0.220 251 A C 1.881 179.419 177.584 -0.078 0.000 1.164 251 A CA 2.799 54.792 52.037 -0.072 0.000 0.643 251 A CB -1.099 17.867 19.000 -0.056 0.000 0.806 251 A HN 0.116 8.228 8.150 -0.064 0.000 0.451 252 K N -3.045 117.318 120.400 -0.063 0.000 2.057 252 K HA -0.243 4.043 4.320 -0.056 0.000 0.206 252 K C 1.734 178.292 176.600 -0.069 0.000 1.050 252 K CA 3.078 59.334 56.287 -0.051 0.000 0.935 252 K CB -0.228 32.256 32.500 -0.028 0.000 0.715 252 K HN -0.389 7.704 8.250 -0.055 0.124 0.439 253 I N -1.559 118.975 120.570 -0.060 0.000 2.058 253 I HA -0.409 3.884 4.170 0.205 0.000 0.235 253 I C 2.427 178.269 176.117 -0.459 0.000 1.053 253 I CA 2.484 63.737 61.300 -0.078 0.000 1.313 253 I CB -0.832 37.178 38.000 0.017 0.000 1.039 253 I HN -0.660 7.438 8.210 -0.047 0.083 0.396 254 K N -2.046 118.218 120.400 -0.227 0.000 2.281 254 K HA -0.390 3.874 4.320 -0.092 0.000 0.203 254 K C 2.336 178.794 176.600 -0.236 0.000 1.046 254 K CA 2.727 58.909 56.287 -0.174 0.000 0.938 254 K CB -0.834 31.609 32.500 -0.096 0.000 0.737 254 K HN -0.596 7.560 8.250 -0.156 0.000 0.458 255 R N 0.340 120.687 120.500 -0.255 0.000 2.113 255 R HA -0.434 3.843 4.340 -0.106 0.000 0.231 255 R C 2.504 178.707 176.300 -0.162 0.000 1.129 255 R CA 3.628 59.629 56.100 -0.165 0.000 0.915 255 R CB -0.204 30.032 30.300 -0.107 0.000 0.837 255 R HN -0.373 7.595 8.270 -0.242 0.157 0.430 256 H N -3.442 115.589 119.070 -0.064 0.000 2.489 256 H HA -0.215 4.320 4.556 -0.036 0.000 0.295 256 H C 1.892 177.233 175.328 0.022 0.000 1.082 256 H CA 2.446 58.468 56.048 -0.043 0.000 1.295 256 H CB -0.841 28.846 29.762 -0.127 0.000 1.380 256 H HN -0.621 7.455 8.280 -0.339 0.000 0.548 257 V N -0.636 119.131 119.914 -0.245 0.000 2.719 257 V HA -0.388 3.784 4.120 0.086 0.000 0.252 257 V C 1.532 177.621 176.094 -0.009 0.000 1.065 257 V CA 3.526 65.801 62.300 -0.041 0.000 1.086 257 V CB -0.579 31.228 31.823 -0.026 0.000 0.700 257 V HN -0.706 6.954 8.190 -0.660 0.134 0.467 258 R N -1.953 118.526 120.500 -0.034 0.000 2.080 258 R HA -0.232 4.107 4.340 -0.001 0.000 0.222 258 R C 1.773 178.074 176.300 0.002 0.000 1.107 258 R CA 2.487 58.580 56.100 -0.011 0.000 0.980 258 R CB 0.359 30.645 30.300 -0.023 0.000 0.879 258 R HN -0.274 7.797 8.270 -0.082 0.150 0.439 259 Q N -0.223 119.581 119.800 0.008 0.000 2.399 259 Q HA 0.059 4.407 4.340 0.013 0.000 0.307 259 Q C -1.399 174.624 176.000 0.038 0.000 0.933 259 Q CA -1.031 54.783 55.803 0.020 0.000 0.995 259 Q CB -0.427 28.321 28.738 0.018 0.000 1.191 259 Q HN -0.604 7.667 8.270 0.000 0.000 0.426 260 S N -1.698 114.026 115.700 0.040 0.000 2.632 260 S HA -0.085 4.430 4.470 0.076 0.000 0.254 260 S C 0.353 174.972 174.600 0.031 0.000 1.291 260 S CA 0.896 59.125 58.200 0.049 0.000 0.974 260 S CB 0.663 63.887 63.200 0.040 0.000 1.016 260 S HN -1.014 7.218 8.310 0.029 0.096 0.579 261 K N -0.793 119.622 120.400 0.025 0.000 2.644 261 K HA 0.140 4.467 4.320 0.013 0.000 0.198 261 K C -1.444 175.160 176.600 0.006 0.000 1.113 261 K CA 1.056 57.351 56.287 0.014 0.000 1.073 261 K CB 0.261 32.770 32.500 0.016 0.000 0.811 261 K HN 0.367 8.634 8.250 0.027 0.000 0.508 262 C N -0.822 118.480 119.300 0.002 0.000 3.428 262 C HA 0.127 4.583 4.460 -0.006 0.000 0.381 262 C C -0.984 173.998 174.990 -0.013 0.000 2.348 262 C CA -0.213 58.802 59.018 -0.006 0.000 1.281 262 C CB -0.650 27.085 27.740 -0.008 0.000 2.143 262 C HN 0.056 8.289 8.230 0.005 0.000 0.579 263 L N 0.586 121.802 121.223 -0.012 0.000 3.510 263 L HA 0.169 4.491 4.340 -0.030 0.000 0.324 263 L C 0.044 176.903 176.870 -0.019 0.000 1.307 263 L CA 0.410 55.237 54.840 -0.023 0.000 1.011 263 L CB 0.775 42.818 42.059 -0.028 0.000 1.422 263 L HN -0.440 7.786 8.230 -0.006 0.000 0.617 264 Q N 0.115 119.907 119.800 -0.012 0.000 2.259 264 Q HA -0.105 4.229 4.340 -0.009 0.000 0.201 264 Q C 0.666 176.658 176.000 -0.012 0.000 0.938 264 Q CA 2.155 57.952 55.803 -0.010 0.000 0.872 264 Q CB 0.613 29.348 28.738 -0.005 0.000 0.971 264 Q HN -0.085 8.179 8.270 -0.010 0.000 0.494 265 D N -2.636 117.756 120.400 -0.013 0.000 2.338 265 D HA 0.041 4.674 4.640 -0.013 0.000 0.208 265 D C 0.399 176.688 176.300 -0.019 0.000 0.997 265 D CA 0.785 54.777 54.000 -0.014 0.000 0.880 265 D CB 0.277 41.070 40.800 -0.011 0.000 0.980 265 D HN -0.159 8.203 8.370 -0.013 0.000 0.509 266 K N -0.955 119.431 120.400 -0.023 0.000 2.827 266 K HA 0.136 4.440 4.320 -0.027 0.000 0.222 266 K C -1.749 174.828 176.600 -0.038 0.000 1.114 266 K CA -0.446 55.823 56.287 -0.029 0.000 1.206 266 K CB -0.895 31.586 32.500 -0.031 0.000 1.035 266 K HN -0.238 7.999 8.250 -0.022 0.000 0.464 267 M N -0.412 119.168 119.600 -0.034 0.000 2.422 267 M HA 0.232 4.944 4.480 -0.047 -0.261 0.200 267 M C -2.130 174.152 176.300 -0.030 0.000 0.964 267 M CA -0.431 54.845 55.300 -0.040 0.000 0.916 267 M CB 1.277 33.850 32.600 -0.046 0.000 2.643 267 M HN -0.554 7.619 8.290 -0.027 0.100 0.429 268 T N 2.979 117.514 114.554 -0.031 0.000 2.667 268 T HA 0.113 4.450 4.350 -0.021 0.000 0.305 268 T C 1.221 175.906 174.700 -0.024 0.000 1.022 268 T CA -0.078 62.007 62.100 -0.026 0.000 0.995 268 T CB 0.737 69.588 68.868 -0.029 0.000 1.026 268 T HN -0.129 8.089 8.240 -0.036 0.000 0.527 269 A N 1.194 124.002 122.820 -0.020 0.000 1.929 269 A HA -0.183 4.132 4.320 -0.009 0.000 0.216 269 A C 2.376 179.944 177.584 -0.026 0.000 1.176 269 A CA 2.807 54.835 52.037 -0.015 0.000 0.628 269 A CB -0.393 18.602 19.000 -0.009 0.000 0.816 269 A HN 0.391 8.530 8.150 -0.018 0.000 0.444 270 K N -2.304 118.069 120.400 -0.044 0.000 2.148 270 K HA -0.297 3.971 4.320 -0.085 0.000 0.204 270 K C 1.982 178.516 176.600 -0.111 0.000 1.050 270 K CA 2.631 58.868 56.287 -0.084 0.000 0.942 270 K CB -0.482 31.966 32.500 -0.087 0.000 0.724 270 K HN 0.220 8.447 8.250 -0.037 0.000 0.446 271 E N -1.933 118.224 120.200 -0.072 0.000 2.023 271 E HA -0.349 3.951 4.350 -0.082 0.000 0.196 271 E C 1.983 178.573 176.600 -0.016 0.000 1.003 271 E CA 3.375 59.739 56.400 -0.061 0.000 0.809 271 E CB -0.236 29.432 29.700 -0.052 0.000 0.755 271 E HN 0.201 8.414 8.360 -0.056 0.113 0.449 272 S N -1.052 114.655 115.700 0.012 0.000 2.419 272 S HA -0.301 4.268 4.470 0.164 0.000 0.233 272 S C 1.664 176.318 174.600 0.091 0.000 1.016 272 S CA 3.315 61.569 58.200 0.090 0.000 0.974 272 S CB -0.421 62.819 63.200 0.067 0.000 0.786 272 S HN -0.671 7.635 8.310 -0.007 0.000 0.492 273 A N 1.382 124.206 122.820 0.006 0.000 1.908 273 A HA -0.226 4.114 4.320 0.035 0.000 0.218 273 A C 2.058 179.623 177.584 -0.031 0.000 1.181 273 A CA 2.868 54.898 52.037 -0.012 0.000 0.627 273 A CB -0.771 18.191 19.000 -0.063 0.000 0.818 273 A HN -0.371 7.646 8.150 -0.022 0.120 0.445 274 I N -3.141 117.348 120.570 -0.136 0.000 2.406 274 I HA -0.265 3.806 4.170 -0.164 0.000 0.249 274 I C 1.133 177.323 176.117 0.121 0.000 1.122 274 I CA 1.166 62.392 61.300 -0.123 0.000 1.431 274 I CB -1.238 36.631 38.000 -0.219 0.000 1.087 274 I HN -0.696 7.325 8.210 -0.146 0.101 0.424 275 W N 1.314 122.578 121.300 -0.059 0.000 2.353 275 W HA -0.439 4.206 4.660 -0.025 0.000 0.319 275 W C 1.888 178.399 176.519 -0.014 0.000 1.207 275 W CA 3.232 60.558 57.345 -0.031 0.000 1.291 275 W CB 0.439 29.876 29.460 -0.037 0.000 1.159 275 W HN -0.663 7.584 8.180 0.250 0.083 0.478 276 L N -2.853 118.313 121.223 -0.095 0.000 2.131 276 L HA -0.434 3.645 4.340 -0.436 0.000 0.210 276 L C 2.101 178.880 176.870 -0.151 0.000 1.092 276 L CA 3.104 57.812 54.840 -0.220 0.000 0.759 276 L CB -0.704 41.311 42.059 -0.073 0.000 0.903 276 L HN -0.058 8.242 8.230 0.117 0.000 0.435 277 A N -0.190 122.620 122.820 -0.018 0.000 1.851 277 A HA -0.347 3.998 4.320 0.041 0.000 0.216 277 A C 2.094 179.664 177.584 -0.024 0.000 1.195 277 A CA 3.384 55.457 52.037 0.060 0.000 0.622 277 A CB -1.095 18.096 19.000 0.319 0.000 0.831 277 A HN -0.511 7.553 8.150 0.034 0.107 0.444 278 V N -1.003 118.887 119.914 -0.040 0.000 2.407 278 V HA -0.415 3.678 4.120 -0.046 0.000 0.248 278 V C 2.314 178.282 176.094 -0.209 0.000 1.055 278 V CA 4.308 66.553 62.300 -0.093 0.000 1.049 278 V CB -0.417 31.369 31.823 -0.061 0.000 0.662 278 V HN -0.430 7.763 8.190 0.005 0.000 0.455 279 L N -0.931 120.075 121.223 -0.361 0.000 2.017 279 L HA -0.320 3.780 4.340 -0.399 0.000 0.208 279 L C 3.078 179.801 176.870 -0.244 0.000 1.073 279 L CA 3.537 58.135 54.840 -0.405 0.000 0.745 279 L CB -0.218 41.480 42.059 -0.603 0.000 0.894 279 L HN -0.353 7.611 8.230 -0.425 0.011 0.432 280 N N -1.496 117.090 118.700 -0.192 0.000 2.331 280 N HA -0.192 4.471 4.740 -0.129 0.000 0.180 280 N C 2.527 177.976 175.510 -0.103 0.000 1.019 280 N CA 2.410 55.383 53.050 -0.129 0.000 0.881 280 N CB -0.331 38.097 38.487 -0.098 0.000 0.972 280 N HN 0.038 8.297 8.380 -0.201 0.000 0.435 281 Q N -0.081 119.658 119.800 -0.101 0.000 2.297 281 Q HA -0.297 4.001 4.340 -0.070 0.000 0.208 281 Q C 1.591 177.541 176.000 -0.084 0.000 0.981 281 Q CA 3.385 59.140 55.803 -0.081 0.000 0.876 281 Q CB -0.152 28.544 28.738 -0.069 0.000 0.921 281 Q HN 0.218 8.306 8.270 -0.111 0.115 0.446 282 E N -1.194 118.942 120.200 -0.107 0.000 2.118 282 E HA -0.292 3.997 4.350 -0.102 0.000 0.195 282 E C 1.600 178.154 176.600 -0.076 0.000 0.992 282 E CA 2.839 59.178 56.400 -0.103 0.000 0.804 282 E CB -0.138 29.486 29.700 -0.127 0.000 0.741 282 E HN -0.588 7.550 8.360 -0.128 0.146 0.458 283 E N -3.348 116.809 120.200 -0.073 0.000 2.276 283 E HA 0.003 4.324 4.350 -0.050 0.000 0.193 283 E C 1.857 178.428 176.600 -0.048 0.000 0.983 283 E CA 1.811 58.178 56.400 -0.056 0.000 0.861 283 E CB 0.591 30.257 29.700 -0.057 0.000 0.817 283 E HN -0.548 7.641 8.360 -0.083 0.121 0.485 284 S N -0.040 115.629 115.700 -0.052 0.000 2.387 284 S HA -0.133 4.312 4.470 -0.041 0.000 0.226 284 S C 2.383 176.959 174.600 -0.040 0.000 1.026 284 S CA 2.971 61.144 58.200 -0.046 0.000 0.972 284 S CB 0.175 63.344 63.200 -0.052 0.000 0.814 284 S HN -0.627 7.553 8.310 -0.061 0.093 0.477 285 L N -2.273 118.925 121.223 -0.041 0.000 2.263 285 L HA -0.174 4.148 4.340 -0.031 0.000 0.216 285 L C 1.202 178.059 176.870 -0.022 0.000 1.111 285 L CA 2.741 57.562 54.840 -0.032 0.000 0.773 285 L CB -0.847 41.193 42.059 -0.032 0.000 0.906 285 L HN 0.101 8.199 8.230 -0.049 0.103 0.439 286 I N -1.160 119.396 120.570 -0.023 0.000 2.076 286 I HA -0.360 3.804 4.170 -0.010 0.000 0.237 286 I C 1.103 177.211 176.117 -0.014 0.000 1.059 286 I CA 2.015 63.306 61.300 -0.016 0.000 1.317 286 I CB -1.168 36.821 38.000 -0.018 0.000 1.037 286 I HN -0.531 7.511 8.210 -0.030 0.151 0.398 287 Q N -2.140 117.649 119.800 -0.018 0.000 2.185 287 Q HA 0.210 4.542 4.340 -0.013 0.000 0.225 287 Q C -0.883 175.105 176.000 -0.019 0.000 0.983 287 Q CA -0.622 55.171 55.803 -0.017 0.000 0.950 287 Q CB 1.136 29.863 28.738 -0.018 0.000 1.176 287 Q HN -0.145 8.112 8.270 -0.022 0.000 0.510 288 Q N 0.000 119.790 119.800 -0.017 0.000 2.315 288 Q HA 0.000 4.327 4.340 -0.021 0.000 0.214 288 Q CA 0.000 55.792 55.803 -0.019 0.000 1.022 288 Q CB 0.000 28.729 28.738 -0.015 0.000 1.108 288 Q HN 0.000 8.261 8.270 -0.015 0.000 0.481