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 1z7j_1_B DATA FIRST_RESID 208 DATA SEQUENCE SKCPLMVKVL DAVRGSPAIN VAVHVFRKAA DDTWEPFASG KTSESGELHG DATA SEQUENCE LTTEEEFVEG IYKVEIDTKS YWKALGISPF HEHAEVVFTA NDSGPRRYTI DATA SEQUENCE AALLSPYSYS TTAVVTNP 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 208 S HA 0.000 nan 4.470 nan 0.000 0.327 208 S C 0.000 174.593 174.600 -0.012 0.000 1.055 208 S CA 0.000 58.178 58.200 -0.036 0.000 1.107 208 S CB 0.000 63.169 63.200 -0.052 0.000 0.593 209 K N 0.334 120.730 120.400 -0.006 0.000 2.374 209 K HA 0.241 4.561 4.320 0.000 0.000 0.196 209 K C -0.169 176.441 176.600 0.017 0.000 1.023 209 K CA -0.185 56.108 56.287 0.010 0.000 1.103 209 K CB -0.136 32.372 32.500 0.013 0.000 0.848 209 K HN 0.804 9.054 8.250 0.000 0.000 0.528 210 C N 2.968 122.273 119.300 0.009 0.000 2.519 210 C HA 0.018 4.478 4.460 0.000 0.000 0.402 210 C C -1.206 173.783 174.990 -0.000 0.000 1.475 210 C CA -1.206 57.813 59.018 0.003 0.000 1.504 210 C CB 0.374 28.130 27.740 0.027 0.000 2.454 210 C HN 0.421 8.651 8.230 0.000 0.000 0.615 211 P HA 0.008 4.428 4.420 0.000 0.000 0.220 211 P C 0.009 177.261 177.300 -0.079 0.000 1.152 211 P CA 0.806 63.908 63.100 0.003 0.000 0.812 211 P CB 0.208 31.921 31.700 0.022 0.000 0.792 212 L N -0.768 120.313 121.223 -0.237 0.000 2.381 212 L HA 0.518 4.858 4.340 0.000 0.000 0.274 212 L C -0.998 175.792 176.870 -0.134 0.000 0.988 212 L CA -0.673 54.022 54.840 -0.241 0.000 0.824 212 L CB 1.223 42.957 42.059 -0.543 0.000 1.263 212 L HN -0.231 7.999 8.230 0.000 0.000 0.410 213 M N 4.478 124.026 119.600 -0.086 0.000 2.591 213 M HA 0.739 5.219 4.480 0.000 0.000 0.306 213 M C -1.310 174.911 176.300 -0.132 0.000 1.190 213 M CA -0.926 54.305 55.300 -0.116 0.000 0.889 213 M CB 2.540 35.099 32.600 -0.068 0.000 1.728 213 M HN 0.251 8.541 8.290 0.000 0.000 0.458 214 V N 1.553 121.352 119.914 -0.191 0.000 2.709 214 V HA 0.651 4.771 4.120 0.000 0.000 0.308 214 V C -1.060 174.922 176.094 -0.187 0.000 1.062 214 V CA -0.723 61.481 62.300 -0.160 0.000 0.901 214 V CB 2.267 34.003 31.823 -0.145 0.000 1.003 214 V HN 0.765 8.955 8.190 0.000 0.000 0.425 215 K N 3.171 123.488 120.400 -0.138 0.000 2.471 215 K HA 0.776 5.096 4.320 0.000 0.000 0.252 215 K C -1.796 174.737 176.600 -0.112 0.000 0.938 215 K CA -0.355 55.857 56.287 -0.125 0.000 0.796 215 K CB 2.035 34.481 32.500 -0.090 0.000 1.161 215 K HN 0.437 8.687 8.250 0.000 0.000 0.425 216 V N 5.646 125.481 119.914 -0.132 0.000 2.588 216 V HA 0.566 4.686 4.120 0.000 0.000 0.304 216 V C -0.613 175.393 176.094 -0.147 0.000 1.042 216 V CA -0.830 61.379 62.300 -0.152 0.000 0.877 216 V CB 1.422 33.111 31.823 -0.224 0.000 0.996 216 V HN 0.683 8.873 8.190 0.000 0.000 0.425 217 L N 2.763 123.921 121.223 -0.109 0.000 2.323 217 L HA 0.677 5.017 4.340 0.000 0.000 0.265 217 L C -0.875 175.964 176.870 -0.051 0.000 1.012 217 L CA -0.656 54.142 54.840 -0.070 0.000 0.820 217 L CB 2.338 44.388 42.059 -0.015 0.000 1.334 217 L HN 0.549 8.779 8.230 0.000 0.000 0.427 218 D N 0.698 121.098 120.400 0.001 0.000 2.349 218 D HA 0.397 5.037 4.640 0.000 0.000 0.232 218 D C 0.231 176.639 176.300 0.180 0.000 1.071 218 D CA -0.325 53.742 54.000 0.113 0.000 0.832 218 D CB 2.281 43.160 40.800 0.130 0.000 1.086 218 D HN 0.608 8.978 8.370 0.000 0.000 0.504 219 A N 3.274 126.244 122.820 0.250 0.000 2.218 219 A HA 0.076 4.396 4.320 0.000 0.000 0.209 219 A C 1.787 179.489 177.584 0.198 0.000 1.168 219 A CA 0.293 52.445 52.037 0.192 0.000 0.804 219 A CB 0.218 19.323 19.000 0.174 0.000 0.834 219 A HN 0.473 8.623 8.150 0.000 0.000 0.482 220 V N -0.546 119.541 119.914 0.290 0.000 2.599 220 V HA -0.031 4.089 4.120 0.000 0.000 0.245 220 V C 2.184 178.389 176.094 0.185 0.000 1.046 220 V CA 1.515 63.959 62.300 0.239 0.000 1.065 220 V CB -0.478 31.547 31.823 0.336 0.000 0.703 220 V HN 0.519 8.709 8.190 0.000 0.000 0.464 221 R N -0.140 120.477 120.500 0.195 0.000 2.397 221 R HA 0.317 4.657 4.340 0.000 0.000 0.241 221 R C 1.279 177.640 176.300 0.100 0.000 0.914 221 R CA 0.561 56.741 56.100 0.134 0.000 1.071 221 R CB 0.687 31.067 30.300 0.133 0.000 1.116 221 R HN 0.484 8.754 8.270 0.000 0.000 0.524 222 G N 2.304 111.166 108.800 0.104 0.000 2.350 222 G HA2 -0.297 3.664 3.960 0.000 0.000 0.298 222 G HA3 -0.297 3.664 3.960 0.000 0.000 0.298 222 G C -0.145 174.790 174.900 0.058 0.000 1.037 222 G CA 0.719 45.864 45.100 0.074 0.000 1.074 222 G HN 0.437 8.727 8.290 0.000 0.000 0.511 223 S N -1.285 114.450 115.700 0.059 0.000 2.638 223 S HA 0.886 5.356 4.470 0.000 0.000 0.274 223 S C -2.930 171.682 174.600 0.019 0.000 1.157 223 S CA -1.171 57.053 58.200 0.039 0.000 0.826 223 S CB 3.136 66.364 63.200 0.046 0.000 1.139 223 S HN 0.272 8.582 8.310 0.000 0.000 0.474 224 P HA 0.346 4.766 4.420 0.000 0.000 0.272 224 P C -0.859 176.403 177.300 -0.064 0.000 1.223 224 P CA -0.153 62.925 63.100 -0.037 0.000 0.784 224 P CB 0.389 32.070 31.700 -0.032 0.000 0.923 225 A N 3.992 126.712 122.820 -0.166 0.000 2.310 225 A HA 0.433 4.753 4.320 0.000 0.000 0.300 225 A C 0.432 177.889 177.584 -0.211 0.000 1.269 225 A CA -0.603 51.233 52.037 -0.335 0.000 0.909 225 A CB -0.735 17.841 19.000 -0.707 0.000 1.144 225 A HN 0.444 8.594 8.150 0.000 0.000 0.540 226 I N 2.048 122.592 120.570 -0.044 0.000 2.488 226 I HA 0.203 4.373 4.170 0.000 0.000 0.299 226 I C 0.174 176.299 176.117 0.015 0.000 0.984 226 I CA -0.624 60.667 61.300 -0.016 0.000 1.250 226 I CB 0.871 38.880 38.000 0.014 0.000 1.389 226 I HN 0.740 8.950 8.210 0.000 0.000 0.488 227 N N 2.112 120.800 118.700 -0.019 0.000 2.735 227 N HA -0.134 4.606 4.740 0.000 0.000 0.248 227 N C -0.792 174.712 175.510 -0.011 0.000 1.083 227 N CA 0.356 53.399 53.050 -0.011 0.000 0.703 227 N CB -1.246 37.248 38.487 0.011 0.000 1.005 227 N HN 0.252 8.632 8.380 0.000 0.000 0.550 228 V N 0.483 120.356 119.914 -0.068 0.000 2.461 228 V HA 0.543 4.663 4.120 0.000 0.000 0.275 228 V C 1.048 177.091 176.094 -0.085 0.000 1.047 228 V CA -0.782 61.462 62.300 -0.093 0.000 0.955 228 V CB 1.518 33.203 31.823 -0.230 0.000 0.988 228 V HN 0.384 8.574 8.190 0.000 0.000 0.471 229 A N 5.430 128.223 122.820 -0.045 0.000 2.450 229 A HA 0.597 4.917 4.320 0.000 0.000 0.255 229 A C -0.347 177.196 177.584 -0.069 0.000 1.096 229 A CA -0.163 51.844 52.037 -0.050 0.000 0.778 229 A CB 0.340 19.360 19.000 0.034 0.000 1.031 229 A HN 0.710 8.860 8.150 0.000 0.000 0.494 230 V N 4.170 123.987 119.914 -0.162 0.000 2.483 230 V HA 0.344 4.464 4.120 0.000 0.000 0.297 230 V C -0.841 175.065 176.094 -0.315 0.000 1.027 230 V CA -0.440 61.760 62.300 -0.166 0.000 0.855 230 V CB 1.426 33.151 31.823 -0.162 0.000 0.995 230 V HN 0.992 9.182 8.190 0.000 0.000 0.424 231 H N 2.131 121.090 119.070 -0.184 0.000 2.489 231 H HA 0.722 5.279 4.556 0.001 0.000 0.343 231 H C -0.616 174.446 175.328 -0.444 0.000 1.086 231 H CA -0.427 55.415 56.048 -0.343 0.000 1.198 231 H CB 2.079 31.612 29.762 -0.381 0.000 1.490 231 H HN 0.463 8.743 8.280 0.000 0.000 0.504 232 V N 4.715 124.405 119.914 -0.373 0.000 2.513 232 V HA 0.413 4.533 4.120 0.000 0.000 0.299 232 V C -0.724 175.194 176.094 -0.292 0.000 1.035 232 V CA -0.624 61.569 62.300 -0.178 0.000 0.889 232 V CB 0.857 32.748 31.823 0.113 0.000 0.988 232 V HN 0.540 8.730 8.190 0.000 0.000 0.440 233 F N 2.622 122.681 119.950 0.182 0.000 2.603 233 F HA 0.755 5.283 4.527 0.001 0.000 0.317 233 F C 0.093 176.024 175.800 0.218 0.000 1.066 233 F CA -0.831 57.301 58.000 0.221 0.000 0.941 233 F CB 2.048 41.117 39.000 0.115 0.000 1.291 233 F HN 0.317 8.617 8.300 0.000 0.000 0.472 234 R N 1.442 122.170 120.500 0.380 0.000 2.686 234 R HA 0.397 4.737 4.340 0.000 0.000 0.286 234 R C -1.035 175.238 176.300 -0.045 0.000 0.969 234 R CA -0.959 55.072 56.100 -0.115 0.000 0.898 234 R CB 1.823 31.792 30.300 -0.551 0.000 1.183 234 R HN 0.718 8.988 8.270 0.000 0.000 0.456 235 K N 2.696 122.865 120.400 -0.385 0.000 2.379 235 K HA 0.285 4.605 4.320 0.000 0.000 0.284 235 K C -0.856 175.504 176.600 -0.399 0.000 1.044 235 K CA -0.082 55.810 56.287 -0.659 0.000 0.974 235 K CB 0.996 33.024 32.500 -0.787 0.000 0.962 235 K HN 0.635 8.885 8.250 0.000 0.000 0.474 236 A N 3.446 126.069 122.820 -0.328 0.000 2.252 236 A HA 0.523 4.843 4.320 0.000 0.000 0.305 236 A C 1.051 178.511 177.584 -0.206 0.000 1.097 236 A CA 0.124 52.039 52.037 -0.204 0.000 0.849 236 A CB 0.864 19.787 19.000 -0.128 0.000 1.142 236 A HN 0.936 9.086 8.150 0.000 0.000 0.499 237 A N 0.461 123.195 122.820 -0.145 0.000 1.917 237 A HA -0.166 4.154 4.320 0.000 0.000 0.219 237 A C 1.417 178.925 177.584 -0.127 0.000 1.182 237 A CA 2.020 53.981 52.037 -0.126 0.000 0.633 237 A CB -0.687 18.260 19.000 -0.088 0.000 0.819 237 A HN 0.900 9.050 8.150 0.000 0.000 0.448 238 D N -1.165 119.164 120.400 -0.117 0.000 2.346 238 D HA -0.079 4.561 4.640 0.000 0.000 0.248 238 D C -0.045 176.169 176.300 -0.143 0.000 1.173 238 D CA 0.779 54.714 54.000 -0.108 0.000 0.878 238 D CB -0.637 40.114 40.800 -0.081 0.000 0.919 238 D HN 0.437 8.807 8.370 0.000 0.000 0.513 239 D N 0.267 120.547 120.400 -0.200 0.000 2.837 239 D HA -0.151 4.489 4.640 0.000 0.000 0.230 239 D C -0.529 175.571 176.300 -0.334 0.000 1.152 239 D CA 1.339 55.177 54.000 -0.270 0.000 0.736 239 D CB -1.164 39.519 40.800 -0.194 0.000 1.084 239 D HN 0.584 8.954 8.370 0.000 0.000 0.429 240 T N -3.292 111.068 114.554 -0.324 0.000 2.942 240 T HA 0.639 4.989 4.350 0.000 0.000 0.289 240 T C -0.114 174.367 174.700 -0.365 0.000 1.044 240 T CA -0.862 61.063 62.100 -0.292 0.000 1.023 240 T CB 1.240 70.034 68.868 -0.123 0.000 1.123 240 T HN 0.172 8.412 8.240 0.000 0.000 0.512 241 W N 1.685 122.903 121.300 -0.136 0.000 2.331 241 W HA 0.446 5.105 4.660 -0.001 0.000 0.306 241 W C 0.406 176.890 176.519 -0.057 0.000 1.162 241 W CA -0.624 56.632 57.345 -0.149 0.000 1.232 241 W CB 0.781 30.024 29.460 -0.361 0.000 1.235 241 W HN 0.818 8.998 8.180 0.000 0.000 0.479 242 E N 3.745 124.135 120.200 0.317 0.000 2.183 242 E HA 0.498 4.848 4.350 0.000 0.000 0.271 242 E C -2.602 174.313 176.600 0.526 0.000 0.919 242 E CA -2.618 53.974 56.400 0.320 0.000 0.781 242 E CB 1.480 31.288 29.700 0.180 0.000 1.140 242 E HN 0.034 8.394 8.360 0.000 0.000 0.402 243 P HA -0.110 4.310 4.420 0.000 0.000 0.264 243 P C -1.139 176.347 177.300 0.311 0.000 1.179 243 P CA 0.335 63.658 63.100 0.371 0.000 0.763 243 P CB 0.216 32.064 31.700 0.247 0.000 0.806 244 F N 2.728 122.695 119.950 0.029 0.000 2.496 244 F HA 0.588 5.114 4.527 -0.000 0.000 0.274 244 F C 0.060 175.866 175.800 0.009 0.000 0.924 244 F CA 0.718 58.762 58.000 0.072 0.000 1.147 244 F CB 0.309 39.413 39.000 0.172 0.000 0.969 244 F HN 0.395 8.695 8.300 0.000 0.000 0.749 245 A N -0.319 122.454 122.820 -0.079 0.000 2.566 245 A HA 0.689 5.009 4.320 0.000 0.000 0.290 245 A C -1.102 176.359 177.584 -0.205 0.000 1.071 245 A CA 0.099 52.019 52.037 -0.196 0.000 0.658 245 A CB 0.594 19.455 19.000 -0.232 0.000 1.285 245 A HN 0.687 8.837 8.150 0.000 0.000 0.427 246 S N -1.113 114.440 115.700 -0.245 0.000 2.615 246 S HA 0.950 5.420 4.470 0.000 0.000 0.268 246 S C -0.252 174.170 174.600 -0.297 0.000 1.146 246 S CA 0.238 58.212 58.200 -0.376 0.000 0.818 246 S CB 0.859 63.662 63.200 -0.662 0.000 1.111 246 S HN 2.795 11.105 8.310 0.000 0.000 0.465 247 G N 0.307 108.914 108.800 -0.322 0.000 2.321 247 G HA2 0.534 4.494 3.960 0.000 0.000 0.296 247 G HA3 0.534 4.494 3.960 0.000 0.000 0.296 247 G C -2.415 172.372 174.900 -0.188 0.000 1.287 247 G CA -0.909 44.063 45.100 -0.212 0.000 0.846 247 G HN 0.712 9.002 8.290 0.000 0.000 0.508 248 K N 0.730 121.051 120.400 -0.131 0.000 2.378 248 K HA 0.570 4.890 4.320 0.000 0.000 0.252 248 K C 0.079 176.619 176.600 -0.100 0.000 0.931 248 K CA -0.621 55.602 56.287 -0.107 0.000 0.794 248 K CB 2.069 34.524 32.500 -0.074 0.000 1.181 248 K HN 0.850 9.100 8.250 0.000 0.000 0.425 249 T N -0.564 113.924 114.554 -0.110 0.000 2.937 249 T HA 0.023 4.373 4.350 0.000 0.000 0.316 249 T C 0.892 175.547 174.700 -0.075 0.000 1.079 249 T CA -0.512 61.521 62.100 -0.112 0.000 1.131 249 T CB 0.689 69.474 68.868 -0.138 0.000 1.000 249 T HN 0.589 8.829 8.240 0.000 0.000 0.549 250 S N 1.699 117.363 115.700 -0.059 0.000 2.598 250 S HA 0.242 4.712 4.470 0.000 0.000 0.267 250 S C 1.132 175.717 174.600 -0.025 0.000 1.189 250 S CA -0.737 57.446 58.200 -0.028 0.000 1.010 250 S CB 0.202 63.402 63.200 0.000 0.000 1.084 250 S HN 0.796 9.106 8.310 0.000 0.000 0.541 251 E N 0.582 120.775 120.200 -0.010 0.000 2.268 251 E HA -0.075 4.275 4.350 0.000 0.000 0.195 251 E C 1.456 178.051 176.600 -0.008 0.000 0.995 251 E CA 1.151 57.547 56.400 -0.007 0.000 0.836 251 E CB -0.152 29.547 29.700 -0.001 0.000 0.763 251 E HN 0.724 9.084 8.360 0.000 0.000 0.491 252 S N -1.250 114.446 115.700 -0.006 0.000 2.597 252 S HA 0.261 4.731 4.470 0.000 0.000 0.224 252 S C 1.374 175.956 174.600 -0.030 0.000 0.955 252 S CA 0.134 58.331 58.200 -0.006 0.000 0.933 252 S CB 0.712 63.923 63.200 0.017 0.000 0.788 252 S HN 0.293 8.603 8.310 0.000 0.000 0.488 253 G N 0.852 109.620 108.800 -0.053 0.000 2.155 253 G HA2 -0.261 3.699 3.960 0.000 0.000 0.257 253 G HA3 -0.261 3.699 3.960 0.000 0.000 0.257 253 G C -0.247 174.582 174.900 -0.118 0.000 0.983 253 G CA 0.421 45.465 45.100 -0.093 0.000 0.676 253 G HN 0.637 8.927 8.290 0.000 0.000 0.528 254 E N -0.913 119.219 120.200 -0.112 0.000 2.222 254 E HA 0.744 5.094 4.350 0.000 0.000 0.267 254 E C -0.397 176.041 176.600 -0.270 0.000 0.963 254 E CA -0.881 55.388 56.400 -0.219 0.000 0.837 254 E CB 2.177 31.749 29.700 -0.215 0.000 1.183 254 E HN 0.154 8.514 8.360 0.000 0.000 0.403 255 L N 2.588 123.560 121.223 -0.418 0.000 2.446 255 L HA 0.375 4.715 4.340 0.000 0.000 0.268 255 L C -1.301 175.320 176.870 -0.414 0.000 0.975 255 L CA -0.358 54.299 54.840 -0.305 0.000 0.848 255 L CB 0.796 42.728 42.059 -0.212 0.000 1.225 255 L HN 0.694 8.924 8.230 0.000 0.000 0.410 256 H N 2.075 121.100 119.070 -0.074 0.000 2.810 256 H HA 0.538 5.094 4.556 0.000 0.000 0.316 256 H C 0.747 176.027 175.328 -0.080 0.000 1.426 256 H CA 0.124 56.129 56.048 -0.072 0.000 1.413 256 H CB 1.271 30.998 29.762 -0.058 0.000 1.874 256 H HN 0.693 8.973 8.280 0.000 0.000 0.737 257 G N 0.441 109.286 108.800 0.076 0.000 2.393 257 G HA2 -0.278 3.682 3.960 0.000 0.000 0.299 257 G HA3 -0.278 3.682 3.960 0.000 0.000 0.299 257 G C 0.477 175.343 174.900 -0.057 0.000 0.990 257 G CA 0.759 45.856 45.100 -0.005 0.000 1.118 257 G HN 0.474 8.764 8.290 0.000 0.000 0.513 258 L N -1.277 119.895 121.223 -0.085 0.000 2.270 258 L HA 0.265 4.605 4.340 0.000 0.000 0.210 258 L C 1.676 178.455 176.870 -0.151 0.000 1.104 258 L CA 1.498 56.266 54.840 -0.120 0.000 0.804 258 L CB 0.238 42.228 42.059 -0.115 0.000 0.937 258 L HN 0.530 8.760 8.230 0.000 0.000 0.450 259 T N -2.097 112.383 114.554 -0.123 0.000 2.653 259 T HA 0.400 4.750 4.350 0.000 0.000 0.306 259 T C -1.083 173.594 174.700 -0.040 0.000 1.426 259 T CA -0.057 61.982 62.100 -0.102 0.000 1.008 259 T CB 1.536 70.398 68.868 -0.011 0.000 1.692 259 T HN 0.109 8.349 8.240 0.000 0.000 0.483 260 T N -1.033 113.540 114.554 0.032 0.000 2.887 260 T HA 0.557 4.907 4.350 0.000 0.000 0.292 260 T C 0.835 175.621 174.700 0.143 0.000 1.087 260 T CA -0.638 61.497 62.100 0.058 0.000 1.009 260 T CB 1.694 70.588 68.868 0.045 0.000 1.203 260 T HN 0.642 8.882 8.240 0.000 0.000 0.518 261 E N 0.338 120.618 120.200 0.134 0.000 2.085 261 E HA -0.192 4.158 4.350 0.000 0.000 0.194 261 E C 1.884 178.598 176.600 0.190 0.000 0.994 261 E CA 1.401 57.910 56.400 0.182 0.000 0.801 261 E CB 0.003 29.779 29.700 0.128 0.000 0.743 261 E HN 0.626 8.986 8.360 0.000 0.000 0.453 262 E N 0.998 121.282 120.200 0.140 0.000 2.038 262 E HA -0.212 4.138 4.350 0.000 0.000 0.195 262 E C 1.961 178.661 176.600 0.166 0.000 1.000 262 E CA 1.246 57.720 56.400 0.125 0.000 0.803 262 E CB -0.191 29.561 29.700 0.088 0.000 0.750 262 E HN 0.427 8.787 8.360 0.000 0.000 0.448 263 E N -0.345 119.979 120.200 0.206 0.000 2.216 263 E HA -0.072 4.278 4.350 0.000 0.000 0.192 263 E C 0.362 177.256 176.600 0.490 0.000 0.988 263 E CA -0.125 56.450 56.400 0.292 0.000 0.834 263 E CB -0.036 29.798 29.700 0.224 0.000 0.772 263 E HN 0.015 8.375 8.360 0.000 0.000 0.479 264 F N 2.866 122.976 119.950 0.267 0.000 2.619 264 F HA 0.078 4.605 4.527 -0.000 0.000 0.350 264 F C 0.189 176.075 175.800 0.144 0.000 1.259 264 F CA -1.116 57.014 58.000 0.218 0.000 1.204 264 F CB -0.264 38.803 39.000 0.112 0.000 1.556 264 F HN -0.309 7.991 8.300 0.000 0.000 0.650 265 V N 1.230 121.150 119.914 0.011 0.000 3.134 265 V HA 0.441 4.561 4.120 0.000 0.000 0.313 265 V C 0.366 176.346 176.094 -0.189 0.000 1.069 265 V CA -1.159 61.100 62.300 -0.068 0.000 1.048 265 V CB 0.903 32.730 31.823 0.007 0.000 1.119 265 V HN 0.455 8.645 8.190 0.000 0.000 0.461 266 E N 0.849 120.971 120.200 -0.130 0.000 2.442 266 E HA 0.480 4.830 4.350 0.000 0.000 0.262 266 E C 0.335 176.861 176.600 -0.123 0.000 1.004 266 E CA 1.019 57.348 56.400 -0.118 0.000 0.928 266 E CB 0.660 30.324 29.700 -0.060 0.000 0.937 266 E HN 1.236 9.596 8.360 0.000 0.000 0.446 267 G N 1.539 110.266 108.800 -0.121 0.000 2.341 267 G HA2 0.151 4.111 3.960 0.000 0.000 0.293 267 G HA3 0.151 4.111 3.960 0.000 0.000 0.293 267 G C -1.319 173.422 174.900 -0.266 0.000 1.298 267 G CA -1.088 43.868 45.100 -0.240 0.000 0.868 267 G HN 0.395 8.685 8.290 0.000 0.000 0.540 268 I N 0.849 121.195 120.570 -0.373 0.000 2.331 268 I HA 0.452 4.622 4.170 0.000 0.000 0.292 268 I C -0.698 175.185 176.117 -0.390 0.000 0.998 268 I CA -0.532 60.607 61.300 -0.268 0.000 1.267 268 I CB 1.024 38.927 38.000 -0.162 0.000 1.386 268 I HN 0.412 8.622 8.210 0.000 0.000 0.476 269 Y N 4.976 125.063 120.300 -0.356 0.000 2.468 269 Y HA 0.488 5.038 4.550 0.000 0.000 0.342 269 Y C -0.039 175.695 175.900 -0.276 0.000 1.021 269 Y CA -0.835 57.074 58.100 -0.319 0.000 1.079 269 Y CB 1.959 40.029 38.460 -0.650 0.000 1.226 269 Y HN 0.394 8.674 8.280 0.000 0.000 0.460 270 K N 1.806 122.192 120.400 -0.023 0.000 2.376 270 K HA 0.689 5.009 4.320 0.000 0.000 0.257 270 K C -2.073 174.534 176.600 0.010 0.000 0.939 270 K CA -0.595 55.565 56.287 -0.212 0.000 0.809 270 K CB 1.371 33.297 32.500 -0.956 0.000 1.121 270 K HN 0.525 8.775 8.250 0.000 0.000 0.425 271 V N 4.222 124.184 119.914 0.081 0.000 2.328 271 V HA 0.258 4.378 4.120 0.000 0.000 0.278 271 V C -0.453 175.650 176.094 0.016 0.000 1.021 271 V CA -0.630 61.719 62.300 0.081 0.000 0.838 271 V CB 1.167 33.077 31.823 0.146 0.000 0.999 271 V HN 0.824 9.014 8.190 0.000 0.000 0.447 272 E N 5.323 125.519 120.200 -0.006 0.000 2.151 272 E HA 0.582 4.932 4.350 0.000 0.000 0.275 272 E C -1.260 175.310 176.600 -0.050 0.000 0.936 272 E CA -0.628 55.740 56.400 -0.053 0.000 0.777 272 E CB 1.409 31.073 29.700 -0.061 0.000 1.108 272 E HN 0.645 9.005 8.360 0.000 0.000 0.401 273 I N 3.692 124.222 120.570 -0.067 0.000 2.362 273 I HA 0.125 4.295 4.170 0.000 0.000 0.289 273 I C -0.314 175.796 176.117 -0.013 0.000 0.994 273 I CA -0.811 60.449 61.300 -0.066 0.000 1.158 273 I CB 1.518 39.442 38.000 -0.127 0.000 1.315 273 I HN 0.492 8.702 8.210 0.000 0.000 0.451 274 D N 4.881 125.290 120.400 0.015 0.000 2.498 274 D HA 0.008 4.648 4.640 0.000 0.000 0.229 274 D C 1.455 177.790 176.300 0.059 0.000 1.188 274 D CA 0.013 54.054 54.000 0.068 0.000 1.028 274 D CB 0.598 41.444 40.800 0.077 0.000 1.087 274 D HN 0.674 9.044 8.370 0.000 0.000 0.510 275 T N -0.006 114.595 114.554 0.078 0.000 2.942 275 T HA -0.125 4.225 4.350 0.000 0.000 0.265 275 T C 1.812 176.659 174.700 0.246 0.000 1.062 275 T CA 0.633 62.798 62.100 0.109 0.000 1.139 275 T CB 0.005 68.973 68.868 0.166 0.000 0.883 275 T HN 0.264 8.504 8.240 0.000 0.000 0.468 276 K N 1.170 121.711 120.400 0.234 0.000 2.032 276 K HA -0.100 4.220 4.320 0.000 0.000 0.209 276 K C 2.503 179.214 176.600 0.185 0.000 1.048 276 K CA 1.659 58.085 56.287 0.232 0.000 0.927 276 K CB -0.346 32.236 32.500 0.137 0.000 0.712 276 K HN 0.339 8.589 8.250 0.000 0.000 0.441 277 S N -0.127 115.648 115.700 0.126 0.000 2.423 277 S HA -0.136 4.334 4.470 0.000 0.000 0.231 277 S C 1.481 176.113 174.600 0.052 0.000 1.014 277 S CA 0.894 59.143 58.200 0.082 0.000 0.965 277 S CB -0.377 62.862 63.200 0.066 0.000 0.785 277 S HN 0.409 8.719 8.310 0.000 0.000 0.495 278 Y N 0.975 121.220 120.300 -0.093 0.000 2.114 278 Y HA -0.173 4.377 4.550 -0.000 0.000 0.284 278 Y C 1.794 177.547 175.900 -0.245 0.000 1.143 278 Y CA 1.253 59.203 58.100 -0.250 0.000 1.135 278 Y CB -0.616 37.565 38.460 -0.465 0.000 0.980 278 Y HN 0.273 8.553 8.280 0.000 0.000 0.499 279 W N 0.862 122.149 121.300 -0.022 0.000 2.381 279 W HA -0.116 4.543 4.660 -0.001 0.000 0.301 279 W C 2.429 178.890 176.519 -0.096 0.000 1.205 279 W CA 1.280 58.572 57.345 -0.089 0.000 1.285 279 W CB -0.227 29.267 29.460 0.057 0.000 1.133 279 W HN -0.112 8.068 8.180 0.000 0.000 0.521 280 K N 0.202 120.699 120.400 0.162 0.000 2.103 280 K HA -0.161 4.160 4.320 0.000 0.000 0.207 280 K C 2.173 178.783 176.600 0.017 0.000 1.048 280 K CA 1.432 57.770 56.287 0.086 0.000 0.930 280 K CB -0.583 31.957 32.500 0.067 0.000 0.716 280 K HN 0.127 8.377 8.250 0.000 0.000 0.444 281 A N 0.988 123.778 122.820 -0.050 0.000 2.125 281 A HA -0.089 4.231 4.320 0.000 0.000 0.219 281 A C 1.801 179.325 177.584 -0.100 0.000 1.156 281 A CA 1.130 53.115 52.037 -0.086 0.000 0.671 281 A CB -0.345 18.574 19.000 -0.134 0.000 0.794 281 A HN 0.193 8.343 8.150 0.000 0.000 0.459 282 L N -1.624 119.537 121.223 -0.102 0.000 2.640 282 L HA 0.262 4.603 4.340 0.000 0.000 0.230 282 L C 1.416 178.305 176.870 0.031 0.000 1.123 282 L CA 0.414 55.223 54.840 -0.052 0.000 0.900 282 L CB -0.018 42.007 42.059 -0.057 0.000 1.146 282 L HN 0.516 8.746 8.230 0.000 0.000 0.484 283 G N 1.560 110.385 108.800 0.040 0.000 2.182 283 G HA2 -0.263 3.697 3.960 0.000 0.000 0.248 283 G HA3 -0.263 3.697 3.960 0.000 0.000 0.248 283 G C -0.127 174.819 174.900 0.075 0.000 1.042 283 G CA -0.056 45.074 45.100 0.050 0.000 0.775 283 G HN 0.301 8.591 8.290 0.000 0.000 0.501 284 I N 0.266 120.908 120.570 0.120 0.000 2.509 284 I HA 0.452 4.622 4.170 0.000 0.000 0.293 284 I C 0.421 176.600 176.117 0.103 0.000 1.020 284 I CA -0.845 60.524 61.300 0.115 0.000 1.088 284 I CB 2.195 40.289 38.000 0.158 0.000 1.267 284 I HN 0.088 8.298 8.210 0.000 0.000 0.430 285 S N 7.353 123.088 115.700 0.057 0.000 2.422 285 S HA 0.384 4.854 4.470 0.000 0.000 0.283 285 S C -2.092 172.486 174.600 -0.038 0.000 1.163 285 S CA -1.157 57.066 58.200 0.039 0.000 1.054 285 S CB 0.257 63.489 63.200 0.053 0.000 0.967 285 S HN 0.358 8.668 8.310 0.000 0.000 0.499 286 P HA 0.260 4.680 4.420 0.000 0.000 0.280 286 P C 0.199 177.317 177.300 -0.304 0.000 1.272 286 P CA -0.625 62.361 63.100 -0.190 0.000 0.819 286 P CB 0.776 32.524 31.700 0.080 0.000 1.122 287 F N 0.281 119.844 119.950 -0.646 0.000 2.383 287 F HA 0.140 4.667 4.527 0.001 0.000 0.287 287 F C 0.870 176.398 175.800 -0.454 0.000 1.069 287 F CA 0.490 58.043 58.000 -0.745 0.000 1.402 287 F CB -0.320 37.981 39.000 -1.165 0.000 1.116 287 F HN 0.272 8.572 8.300 0.000 0.000 0.549 288 H N 0.761 119.787 119.070 -0.074 0.000 2.562 288 H HA 0.159 4.715 4.556 0.000 0.000 0.352 288 H C 1.078 176.325 175.328 -0.136 0.000 1.125 288 H CA -0.119 55.873 56.048 -0.093 0.000 1.379 288 H CB 0.703 30.565 29.762 0.167 0.000 1.464 288 H HN 0.066 8.346 8.280 0.000 0.000 0.563 289 E N 1.505 121.626 120.200 -0.132 0.000 2.152 289 E HA -0.051 4.299 4.350 0.000 0.000 0.192 289 E C 0.320 176.878 176.600 -0.071 0.000 0.983 289 E CA 1.044 57.339 56.400 -0.175 0.000 0.818 289 E CB 0.174 29.670 29.700 -0.339 0.000 0.758 289 E HN 0.803 9.163 8.360 0.000 0.000 0.467 290 H N -3.556 115.561 119.070 0.078 0.000 2.894 290 H HA 0.576 5.132 4.556 -0.000 0.000 0.282 290 H C -1.456 173.820 175.328 -0.086 0.000 1.448 290 H CA -0.721 55.332 56.048 0.008 0.000 1.158 290 H CB 0.615 30.374 29.762 -0.004 0.000 1.818 290 H HN -0.052 8.228 8.280 0.000 0.000 0.493 291 A N 1.428 124.235 122.820 -0.022 0.000 2.342 291 A HA 0.539 4.859 4.320 0.000 0.000 0.323 291 A C -0.438 177.095 177.584 -0.085 0.000 1.125 291 A CA -0.633 51.165 52.037 -0.398 0.000 0.785 291 A CB 1.400 19.784 19.000 -1.028 0.000 1.221 291 A HN 0.636 8.786 8.150 0.000 0.000 0.463 292 E N 1.486 121.707 120.200 0.035 0.000 2.266 292 E HA 0.598 4.948 4.350 0.000 0.000 0.268 292 E C -1.707 174.957 176.600 0.107 0.000 0.879 292 E CA -0.881 55.553 56.400 0.058 0.000 0.762 292 E CB 1.640 31.381 29.700 0.068 0.000 1.199 292 E HN 0.243 8.603 8.360 0.000 0.000 0.422 293 V N 1.865 121.844 119.914 0.108 0.000 2.409 293 V HA 0.276 4.396 4.120 0.000 0.000 0.290 293 V C -0.511 175.740 176.094 0.262 0.000 1.017 293 V CA -0.869 61.547 62.300 0.193 0.000 0.841 293 V CB 1.603 33.537 31.823 0.185 0.000 1.003 293 V HN 0.570 8.760 8.190 0.000 0.000 0.426 294 V N 6.779 126.841 119.914 0.246 0.000 2.370 294 V HA 0.701 4.821 4.120 0.000 0.000 0.283 294 V C -0.393 175.904 176.094 0.338 0.000 1.023 294 V CA -0.441 61.990 62.300 0.219 0.000 0.857 294 V CB 0.949 32.875 31.823 0.171 0.000 0.985 294 V HN 0.804 8.994 8.190 0.000 0.000 0.443 295 F N 1.340 121.388 119.950 0.163 0.000 2.662 295 F HA 0.805 5.332 4.527 0.000 0.000 0.312 295 F C -0.404 175.487 175.800 0.151 0.000 1.113 295 F CA -0.859 57.227 58.000 0.143 0.000 0.951 295 F CB 1.685 40.759 39.000 0.123 0.000 1.344 295 F HN 0.196 8.496 8.300 0.000 0.000 0.462 296 T N 1.885 116.585 114.554 0.243 0.000 2.767 296 T HA 0.695 5.045 4.350 0.000 0.000 0.284 296 T C -0.353 174.480 174.700 0.222 0.000 0.973 296 T CA -0.359 61.813 62.100 0.119 0.000 0.996 296 T CB 1.229 70.156 68.868 0.098 0.000 0.927 296 T HN 0.889 9.129 8.240 0.000 0.000 0.456 297 A N 4.651 127.515 122.820 0.074 0.000 2.260 297 A HA 0.630 4.950 4.320 0.000 0.000 0.308 297 A C -0.005 177.607 177.584 0.048 0.000 1.254 297 A CA -0.800 51.244 52.037 0.012 0.000 0.874 297 A CB 0.249 18.961 19.000 -0.480 0.000 1.153 297 A HN 0.777 8.927 8.150 0.000 0.000 0.527 298 N N 2.028 120.839 118.700 0.184 0.000 2.284 298 N HA 0.194 4.935 4.740 0.000 0.000 0.300 298 N C -0.570 175.020 175.510 0.133 0.000 1.047 298 N CA -0.577 52.543 53.050 0.116 0.000 0.821 298 N CB 2.069 40.621 38.487 0.108 0.000 1.337 298 N HN 0.580 8.960 8.380 0.000 0.000 0.482 299 D N 0.505 120.952 120.400 0.078 0.000 2.269 299 D HA -0.044 4.596 4.640 0.000 0.000 0.208 299 D C 1.201 177.540 176.300 0.064 0.000 0.963 299 D CA 0.957 55.004 54.000 0.078 0.000 0.864 299 D CB 0.377 41.209 40.800 0.052 0.000 0.936 299 D HN 0.401 8.771 8.370 0.000 0.000 0.505 300 S N 0.569 116.303 115.700 0.057 0.000 2.359 300 S HA -0.097 4.373 4.470 0.000 0.000 0.222 300 S C 1.517 176.142 174.600 0.042 0.000 1.038 300 S CA 1.180 59.406 58.200 0.043 0.000 1.051 300 S CB -0.704 62.521 63.200 0.042 0.000 0.944 300 S HN 0.356 8.666 8.310 0.000 0.000 0.433 301 G N 2.388 111.221 108.800 0.055 0.000 2.631 301 G HA2 0.369 4.329 3.960 0.000 0.000 0.271 301 G HA3 0.369 4.329 3.960 0.000 0.000 0.271 301 G C -2.500 172.402 174.900 0.002 0.000 1.302 301 G CA -1.019 44.099 45.100 0.031 0.000 1.002 301 G HN 0.179 8.469 8.290 0.000 0.000 0.519 302 P HA 0.016 4.436 4.420 0.000 0.000 0.272 302 P C 0.715 177.950 177.300 -0.108 0.000 1.239 302 P CA -0.049 62.995 63.100 -0.092 0.000 0.807 302 P CB 0.481 32.096 31.700 -0.142 0.000 0.951 303 R N 0.015 120.466 120.500 -0.082 0.000 2.087 303 R HA 0.150 4.490 4.340 0.000 0.000 0.216 303 R C 0.610 176.897 176.300 -0.022 0.000 1.114 303 R CA 1.074 57.172 56.100 -0.003 0.000 1.002 303 R CB -0.422 29.900 30.300 0.036 0.000 0.903 303 R HN 0.448 8.718 8.270 0.000 0.000 0.445 304 R N 1.061 121.494 120.500 -0.111 0.000 2.349 304 R HA 0.298 4.638 4.340 0.000 0.000 0.299 304 R C -0.762 175.403 176.300 -0.226 0.000 1.027 304 R CA -0.344 55.714 56.100 -0.070 0.000 0.958 304 R CB 0.686 30.962 30.300 -0.039 0.000 1.047 304 R HN 0.033 8.303 8.270 0.000 0.000 0.468 305 Y N 0.095 120.383 120.300 -0.020 0.000 2.331 305 Y HA 0.260 4.810 4.550 0.000 0.000 0.334 305 Y C 0.177 176.010 175.900 -0.112 0.000 0.960 305 Y CA -0.474 57.584 58.100 -0.070 0.000 1.130 305 Y CB 2.365 40.789 38.460 -0.059 0.000 1.164 305 Y HN 0.377 8.657 8.280 0.000 0.000 0.458 306 T N 5.365 119.923 114.554 0.007 0.000 2.809 306 T HA 0.497 4.847 4.350 0.000 0.000 0.284 306 T C -0.593 174.068 174.700 -0.065 0.000 0.992 306 T CA -0.534 61.545 62.100 -0.036 0.000 0.957 306 T CB 0.518 69.362 68.868 -0.039 0.000 0.942 306 T HN 0.258 8.498 8.240 0.000 0.000 0.439 307 I N 3.378 123.898 120.570 -0.082 0.000 2.330 307 I HA 0.595 4.765 4.170 0.000 0.000 0.289 307 I C 0.373 176.449 176.117 -0.068 0.000 1.001 307 I CA -0.903 60.342 61.300 -0.092 0.000 1.193 307 I CB 0.644 38.589 38.000 -0.092 0.000 1.345 307 I HN 0.661 8.871 8.210 0.000 0.000 0.461 308 A N 5.561 128.352 122.820 -0.048 0.000 2.337 308 A HA 0.947 5.267 4.320 0.000 0.000 0.329 308 A C -0.486 177.090 177.584 -0.013 0.000 1.146 308 A CA -0.513 51.501 52.037 -0.038 0.000 0.800 308 A CB 1.588 20.571 19.000 -0.029 0.000 1.220 308 A HN 0.809 8.959 8.150 0.000 0.000 0.472 309 A N 1.280 124.089 122.820 -0.020 0.000 2.422 309 A HA 0.665 4.985 4.320 0.000 0.000 0.302 309 A C -1.429 176.166 177.584 0.018 0.000 1.041 309 A CA -0.406 51.639 52.037 0.014 0.000 0.708 309 A CB 1.232 20.215 19.000 -0.030 0.000 1.257 309 A HN 1.570 9.720 8.150 0.000 0.000 0.414 310 L N 3.167 124.437 121.223 0.079 0.000 2.305 310 L HA 0.698 5.038 4.340 0.000 0.000 0.284 310 L C -1.145 175.827 176.870 0.170 0.000 1.013 310 L CA -0.243 54.653 54.840 0.093 0.000 0.819 310 L CB 0.888 43.003 42.059 0.093 0.000 1.227 310 L HN 0.619 8.849 8.230 0.000 0.000 0.417 311 L N 4.154 125.492 121.223 0.193 0.000 2.325 311 L HA 0.727 5.067 4.340 0.000 0.000 0.278 311 L C 0.057 177.269 176.870 0.571 0.000 1.023 311 L CA -0.408 54.658 54.840 0.378 0.000 0.811 311 L CB 1.678 43.934 42.059 0.328 0.000 1.249 311 L HN 0.607 8.837 8.230 0.000 0.000 0.431 312 S N 1.168 117.176 115.700 0.513 0.000 2.588 312 S HA 0.422 4.892 4.470 0.000 0.000 0.275 312 S C -2.096 172.432 174.600 -0.120 0.000 1.130 312 S CA -0.850 57.480 58.200 0.217 0.000 0.855 312 S CB 2.445 65.727 63.200 0.137 0.000 1.116 312 S HN 0.343 8.653 8.310 0.000 0.000 0.472 313 P HA -0.084 4.336 4.420 0.000 0.000 0.216 313 P C 0.079 177.259 177.300 -0.199 0.000 1.153 313 P CA 1.509 64.173 63.100 -0.727 0.000 0.858 313 P CB 0.063 31.478 31.700 -0.476 0.000 0.789 314 Y N -1.990 118.251 120.300 -0.098 0.000 2.636 314 Y HA 0.469 5.020 4.550 0.000 0.000 0.260 314 Y C 0.669 176.623 175.900 0.091 0.000 1.177 314 Y CA -0.117 57.957 58.100 -0.044 0.000 1.209 314 Y CB 0.510 38.861 38.460 -0.180 0.000 1.166 314 Y HN -0.162 8.118 8.280 0.000 0.000 0.531 315 S N 0.197 116.099 115.700 0.336 0.000 2.552 315 S HA 0.634 5.104 4.470 0.000 0.000 0.272 315 S C -1.991 172.792 174.600 0.304 0.000 1.150 315 S CA -0.525 57.844 58.200 0.281 0.000 0.849 315 S CB 0.829 64.106 63.200 0.129 0.000 1.113 315 S HN 0.192 8.502 8.310 0.000 0.000 0.458 316 Y N 0.393 120.736 120.300 0.071 0.000 2.519 316 Y HA 0.793 5.343 4.550 -0.000 0.000 0.336 316 Y C -0.876 175.033 175.900 0.015 0.000 1.089 316 Y CA -0.684 57.438 58.100 0.037 0.000 1.025 316 Y CB 1.028 39.475 38.460 -0.021 0.000 1.318 316 Y HN 0.730 9.010 8.280 0.000 0.000 0.452 317 S N 1.756 117.581 115.700 0.208 0.000 2.542 317 S HA 0.857 5.327 4.470 0.000 0.000 0.293 317 S C -0.969 173.739 174.600 0.180 0.000 1.089 317 S CA -0.552 57.710 58.200 0.103 0.000 0.961 317 S CB 2.064 65.296 63.200 0.054 0.000 1.062 317 S HN 1.126 9.436 8.310 0.000 0.000 0.483 318 T N 0.596 115.231 114.554 0.134 0.000 2.933 318 T HA 0.701 5.052 4.350 0.000 0.000 0.305 318 T C -1.110 173.624 174.700 0.057 0.000 1.092 318 T CA -0.250 61.916 62.100 0.111 0.000 1.008 318 T CB 1.952 70.913 68.868 0.155 0.000 1.102 318 T HN 0.929 9.169 8.240 0.000 0.000 0.469 319 T N 1.641 116.211 114.554 0.026 0.000 2.896 319 T HA 0.803 5.153 4.350 0.000 0.000 0.297 319 T C -1.473 173.214 174.700 -0.022 0.000 1.108 319 T CA -0.296 61.807 62.100 0.006 0.000 1.004 319 T CB 1.363 70.234 68.868 0.004 0.000 1.159 319 T HN 0.991 9.231 8.240 0.000 0.000 0.499 320 A N 2.270 125.070 122.820 -0.033 0.000 2.355 320 A HA 0.763 5.083 4.320 0.000 0.000 0.317 320 A C -1.067 176.485 177.584 -0.053 0.000 1.094 320 A CA -0.555 51.444 52.037 -0.064 0.000 0.764 320 A CB 1.452 20.397 19.000 -0.092 0.000 1.230 320 A HN 0.722 8.872 8.150 0.000 0.000 0.448 321 V N 3.119 122.995 119.914 -0.063 0.000 2.350 321 V HA 0.396 4.516 4.120 0.000 0.000 0.285 321 V C -0.514 175.513 176.094 -0.112 0.000 1.014 321 V CA -0.445 61.815 62.300 -0.067 0.000 0.831 321 V CB 1.309 33.101 31.823 -0.052 0.000 1.000 321 V HN 0.619 8.809 8.190 0.000 0.000 0.433 322 V N 4.762 124.592 119.914 -0.140 0.000 2.313 322 V HA 0.633 4.753 4.120 0.000 0.000 0.278 322 V C 0.252 176.240 176.094 -0.177 0.000 1.017 322 V CA -0.280 61.870 62.300 -0.250 0.000 0.823 322 V CB 1.473 33.122 31.823 -0.289 0.000 1.010 322 V HN 0.998 9.188 8.190 0.000 0.000 0.443 323 T N 1.116 115.570 114.554 -0.166 0.000 2.900 323 T HA 0.620 4.970 4.350 0.000 0.000 0.295 323 T C -0.857 173.785 174.700 -0.097 0.000 1.044 323 T CA -0.898 61.140 62.100 -0.104 0.000 0.995 323 T CB 2.230 71.057 68.868 -0.069 0.000 1.072 323 T HN 0.597 8.837 8.240 0.000 0.000 0.473 324 N N 2.383 121.043 118.700 -0.066 0.000 2.372 324 N HA 0.564 5.304 4.740 0.000 0.000 0.285 324 N C -2.389 173.105 175.510 -0.026 0.000 1.008 324 N CA -1.505 51.519 53.050 -0.044 0.000 0.880 324 N CB 0.976 39.442 38.487 -0.035 0.000 1.239 324 N HN 0.663 9.043 8.380 0.000 0.000 0.484 325 P HA 0.000 4.420 4.420 0.000 0.000 0.216 325 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 325 P CB 0.000 31.696 31.700 -0.007 0.000 0.726