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 1wid_15_A DATA FIRST_RESID 182 DATA SEQUENCE RSAEALFEKA VTPSDVGKLN RLVIPKHHAE KHFPLPSSNV SVKGVLLNFE DATA SEQUENCE DVNGKVWRFR YSYWNSSQSY VLTKGWSRFV KEKNLRAGDV VSFSRSNGQD DATA SEQUENCE QQLYIGWKSR SGSDLDA 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 182 R HA 0.000 4.262 4.340 -0.130 0.000 0.208 182 R C 0.000 176.250 176.300 -0.083 0.000 0.893 182 R CA 0.000 56.042 56.100 -0.097 0.000 0.921 182 R CB 0.000 30.256 30.300 -0.074 0.000 0.687 183 S N 2.246 117.891 115.700 -0.091 0.000 2.527 183 S HA -0.015 4.424 4.470 -0.052 0.000 0.227 183 S C 0.486 175.045 174.600 -0.069 0.000 1.059 183 S CA -0.266 57.896 58.200 -0.064 0.000 0.919 183 S CB 0.515 63.688 63.200 -0.045 0.000 0.805 183 S HN -0.039 8.203 8.310 -0.114 0.000 0.500 184 A N 3.381 126.134 122.820 -0.110 0.000 2.492 184 A HA -0.090 4.208 4.320 -0.037 0.000 0.236 184 A C -0.361 177.176 177.584 -0.079 0.000 1.078 184 A CA 0.392 52.372 52.037 -0.095 0.000 0.773 184 A CB 0.603 19.478 19.000 -0.209 0.000 1.023 184 A HN -0.390 7.666 8.150 -0.156 0.000 0.504 185 E N -0.519 119.653 120.200 -0.045 0.000 2.171 185 E HA 0.200 4.518 4.350 -0.054 0.000 0.271 185 E C -1.360 175.203 176.600 -0.062 0.000 0.916 185 E CA -1.125 55.245 56.400 -0.050 0.000 0.774 185 E CB 2.669 32.346 29.700 -0.039 0.000 1.128 185 E HN -0.166 8.182 8.360 -0.019 0.000 0.403 186 A N 4.492 127.270 122.820 -0.071 0.000 2.404 186 A HA -0.009 4.270 4.320 -0.068 0.000 0.273 186 A C -0.113 177.386 177.584 -0.142 0.000 1.144 186 A CA 0.047 52.034 52.037 -0.084 0.000 0.806 186 A CB 0.076 19.036 19.000 -0.066 0.000 1.080 186 A HN 0.627 8.740 8.150 -0.062 0.000 0.509 187 L N 2.957 124.051 121.223 -0.215 0.000 2.007 187 L HA -0.102 3.854 4.340 -0.641 0.000 0.205 187 L C -0.283 176.516 176.870 -0.118 0.000 1.073 187 L CA 2.298 56.917 54.840 -0.369 0.000 0.744 187 L CB 0.655 42.550 42.059 -0.273 0.000 0.898 187 L HN 0.320 8.447 8.230 -0.171 0.000 0.435 188 F N -8.187 111.762 119.950 -0.003 0.000 2.719 188 F HA 0.350 4.914 4.527 0.062 0.000 0.309 188 F C -2.653 173.241 175.800 0.157 0.000 1.138 188 F CA -1.369 56.692 58.000 0.102 0.000 0.943 188 F CB 2.090 41.248 39.000 0.262 0.000 1.304 188 F HN -0.794 7.177 8.300 -0.548 0.000 0.445 189 E N -0.682 119.723 120.200 0.342 0.000 2.316 189 E HA 0.273 4.820 4.350 0.108 -0.133 0.254 189 E C -1.263 175.483 176.600 0.243 0.000 0.902 189 E CA -1.245 55.269 56.400 0.190 0.000 0.801 189 E CB 1.326 31.072 29.700 0.076 0.000 1.270 189 E HN -0.042 8.564 8.360 0.411 0.000 0.414 190 K N 3.810 124.370 120.400 0.266 0.000 2.211 190 K HA 0.291 4.716 4.320 0.175 0.000 0.237 190 K C -1.889 174.787 176.600 0.127 0.000 1.002 190 K CA -2.191 54.218 56.287 0.203 0.000 0.885 190 K CB 2.785 35.426 32.500 0.236 0.000 1.136 190 K HN 0.378 8.800 8.250 0.288 0.000 0.448 191 A N 0.882 123.760 122.820 0.097 0.000 2.276 191 A HA 0.175 4.625 4.320 0.083 -0.081 0.316 191 A C -1.439 176.195 177.584 0.083 0.000 1.229 191 A CA -1.074 51.011 52.037 0.081 0.000 0.851 191 A CB 1.277 20.313 19.000 0.061 0.000 1.165 191 A HN 0.216 8.420 8.150 0.090 0.000 0.513 192 V N 4.789 124.764 119.914 0.102 0.000 2.508 192 V HA 0.180 4.360 4.120 0.100 0.000 0.281 192 V C -1.052 175.097 176.094 0.091 0.000 1.041 192 V CA -0.892 61.477 62.300 0.116 0.000 1.016 192 V CB 1.468 33.405 31.823 0.189 0.000 0.984 192 V HN -0.187 8.068 8.190 0.108 0.000 0.478 193 T N 7.833 122.433 114.554 0.076 0.000 2.937 193 T HA 0.498 4.882 4.350 0.057 0.000 0.283 193 T C -1.079 173.662 174.700 0.068 0.000 1.012 193 T CA -3.534 58.602 62.100 0.061 0.000 0.997 193 T CB -0.334 68.561 68.868 0.045 0.000 1.136 193 T HN -0.170 8.113 8.240 0.072 0.000 0.551 194 P HA -0.224 4.229 4.420 0.056 0.000 0.218 194 P C 0.640 177.978 177.300 0.063 0.000 1.146 194 P CA 2.521 65.653 63.100 0.054 0.000 0.813 194 P CB -0.166 31.558 31.700 0.039 0.000 0.778 195 S N -3.076 112.660 115.700 0.059 0.000 2.371 195 S HA -0.265 4.243 4.470 0.063 0.000 0.224 195 S C 1.633 176.279 174.600 0.076 0.000 1.029 195 S CA 2.969 61.207 58.200 0.063 0.000 0.978 195 S CB -0.370 62.861 63.200 0.053 0.000 0.833 195 S HN -0.118 8.178 8.310 0.053 0.046 0.466 196 D N -0.629 119.816 120.400 0.075 0.000 2.363 196 D HA -0.056 4.690 4.640 0.017 -0.096 0.220 196 D C -0.529 175.897 176.300 0.209 0.000 0.994 196 D CA 2.594 56.638 54.000 0.073 0.000 0.890 196 D CB 0.749 41.571 40.800 0.038 0.000 0.906 196 D HN -0.441 7.881 8.370 0.070 0.091 0.530 197 V N -5.426 114.598 119.914 0.182 0.000 3.157 197 V HA 0.237 4.526 4.120 0.281 0.000 0.361 197 V C -1.376 174.784 176.094 0.111 0.000 1.421 197 V CA -2.223 60.193 62.300 0.193 0.000 1.213 197 V CB 0.132 32.047 31.823 0.154 0.000 1.164 197 V HN -0.998 7.074 8.190 0.128 0.194 0.559 198 G N 0.124 108.985 108.800 0.102 0.000 3.356 198 G HA2 0.361 4.356 3.960 0.059 0.000 0.178 198 G HA3 0.361 4.475 3.960 0.062 -0.116 0.178 198 G C -0.890 174.055 174.900 0.074 0.000 1.175 198 G CA -0.445 44.698 45.100 0.072 0.000 0.840 198 G HN -0.864 7.495 8.290 0.114 0.000 0.658 199 K N -0.293 120.144 120.400 0.062 0.000 2.026 199 K HA -0.192 4.161 4.320 0.055 0.000 0.208 199 K C 1.716 178.362 176.600 0.077 0.000 1.048 199 K CA 2.063 58.385 56.287 0.059 0.000 0.929 199 K CB -0.496 32.030 32.500 0.043 0.000 0.713 199 K HN 0.123 8.406 8.250 0.054 0.000 0.439 200 L N -1.596 119.679 121.223 0.087 0.000 2.046 200 L HA -0.228 4.178 4.340 0.110 0.000 0.208 200 L C 0.409 177.367 176.870 0.148 0.000 1.077 200 L CA 0.681 55.593 54.840 0.119 0.000 0.747 200 L CB -0.153 41.983 42.059 0.129 0.000 0.896 200 L HN -0.541 7.736 8.230 0.078 0.000 0.432 201 N N -4.182 114.601 118.700 0.138 0.000 6.750 201 N HA -0.465 4.402 4.740 0.211 0.000 0.412 201 N C -0.946 174.630 175.510 0.108 0.000 0.937 201 N CA 0.814 53.967 53.050 0.172 0.000 1.334 201 N CB 0.331 38.923 38.487 0.176 0.000 0.815 201 N HN -0.687 7.767 8.380 0.123 0.000 0.330 202 R N -5.940 114.628 120.500 0.112 0.000 3.229 202 R HA -0.380 3.830 4.340 -0.217 0.000 0.558 202 R C -1.769 174.123 176.300 -0.680 0.000 0.879 202 R CA 1.135 57.092 56.100 -0.239 0.000 1.671 202 R CB -0.145 30.057 30.300 -0.164 0.000 2.047 202 R HN 0.166 8.638 8.270 0.337 0.000 0.564 203 L N -1.034 119.538 121.223 -1.085 0.000 2.307 203 L HA 0.215 3.993 4.340 -0.937 0.000 0.282 203 L C -1.318 175.137 176.870 -0.692 0.000 1.051 203 L CA -0.765 53.431 54.840 -1.074 0.000 0.804 203 L CB 2.692 43.867 42.059 -1.474 0.000 1.197 203 L HN -0.306 7.329 8.230 -0.993 0.000 0.431 204 V N 5.767 125.399 119.914 -0.471 0.000 2.398 204 V HA 0.198 4.000 4.120 -0.530 0.000 0.286 204 V C -1.546 174.407 176.094 -0.236 0.000 1.026 204 V CA -1.159 60.919 62.300 -0.370 0.000 0.868 204 V CB 1.874 33.576 31.823 -0.202 0.000 0.982 204 V HN -0.393 7.804 8.190 -0.391 -0.242 0.443 205 I N 7.665 128.093 120.570 -0.236 0.000 2.307 205 I HA 0.406 4.487 4.170 -0.149 0.000 0.287 205 I C -2.476 173.572 176.117 -0.114 0.000 1.054 205 I CA -4.740 56.450 61.300 -0.184 0.000 1.218 205 I CB -1.037 36.823 38.000 -0.233 0.000 1.398 205 I HN 0.814 8.742 8.210 -0.305 0.099 0.475 206 P HA -0.096 4.322 4.420 -0.003 0.000 0.266 206 P C -1.536 175.828 177.300 0.107 0.000 1.186 206 P CA -0.035 63.066 63.100 0.002 0.000 0.767 206 P CB -0.073 31.593 31.700 -0.055 0.000 0.820 207 K N 3.215 123.698 120.400 0.137 0.000 2.250 207 K HA -0.075 4.358 4.320 0.188 0.000 0.285 207 K C -0.953 175.761 176.600 0.190 0.000 1.097 207 K CA 0.554 56.947 56.287 0.177 0.000 0.913 207 K CB -0.847 31.754 32.500 0.169 0.000 1.179 207 K HN 0.304 8.600 8.250 0.077 0.000 0.462 208 H N 0.873 119.865 119.070 -0.130 0.000 1.797 208 H HA 0.087 4.588 4.556 -0.092 0.000 0.115 208 H C -0.911 174.329 175.328 -0.148 0.000 1.072 208 H CA 1.165 57.111 56.048 -0.170 0.000 0.424 208 H CB 0.198 29.786 29.762 -0.290 0.000 0.319 208 H HN 0.274 8.494 8.280 -0.100 0.000 0.211 209 H N 1.392 119.785 119.070 -1.128 0.000 2.486 209 H HA 0.129 4.364 4.556 -0.535 0.000 0.287 209 H C 0.826 175.885 175.328 -0.449 0.000 1.010 209 H CA 0.648 56.237 56.048 -0.764 0.000 1.324 209 H CB 1.456 30.687 29.762 -0.884 0.000 1.446 209 H HN -0.115 7.130 8.280 -1.724 0.000 0.537 210 A N -1.036 121.501 122.820 -0.473 0.000 2.076 210 A HA -0.264 3.722 4.320 -0.556 0.000 0.220 210 A C 0.292 177.734 177.584 -0.236 0.000 1.160 210 A CA 3.032 54.728 52.037 -0.568 0.000 0.653 210 A CB -0.759 17.508 19.000 -1.222 0.000 0.801 210 A HN 0.319 8.118 8.150 -0.585 0.000 0.455 211 E N -4.455 115.674 120.200 -0.119 0.000 2.276 211 E HA -0.153 4.233 4.350 0.060 0.000 0.193 211 E C 0.414 177.007 176.600 -0.012 0.000 0.983 211 E CA 2.263 58.667 56.400 0.007 0.000 0.861 211 E CB 0.062 29.795 29.700 0.055 0.000 0.817 211 E HN -0.045 8.175 8.360 -0.157 0.047 0.485 212 K N -3.032 117.314 120.400 -0.089 0.000 2.211 212 K HA -0.120 4.145 4.320 -0.091 0.000 0.201 212 K C 0.841 177.324 176.600 -0.194 0.000 1.052 212 K CA 1.567 57.751 56.287 -0.172 0.000 0.973 212 K CB 0.185 32.513 32.500 -0.286 0.000 0.766 212 K HN -0.806 7.260 8.250 -0.123 0.110 0.466 213 H N -2.145 116.973 119.070 0.081 0.000 2.320 213 H HA 0.054 4.659 4.556 0.083 0.000 0.318 213 H C 0.600 176.035 175.328 0.179 0.000 1.098 213 H CA 1.210 57.340 56.048 0.138 0.000 1.569 213 H CB 1.746 31.646 29.762 0.230 0.000 1.506 213 H HN 0.090 8.240 8.280 -0.027 0.114 0.632 214 F N 1.828 121.809 119.950 0.053 0.000 2.506 214 F HA -0.064 4.420 4.527 -0.072 0.000 0.387 214 F C -1.890 173.882 175.800 -0.047 0.000 1.053 214 F CA -1.717 56.242 58.000 -0.069 0.000 1.083 214 F CB -1.450 37.426 39.000 -0.207 0.000 1.010 214 F HN -0.669 8.057 8.300 0.711 0.000 0.551 215 P HA -0.066 4.393 4.420 0.064 0.000 0.278 215 P C -1.698 175.660 177.300 0.096 0.000 1.270 215 P CA 0.164 63.294 63.100 0.050 0.000 0.800 215 P CB 0.548 32.244 31.700 -0.007 0.000 1.142 216 L N -1.825 119.456 121.223 0.097 0.000 2.422 216 L HA 0.436 4.885 4.340 0.183 0.000 0.264 216 L C -1.925 175.006 176.870 0.100 0.000 0.984 216 L CA -2.165 52.758 54.840 0.139 0.000 0.819 216 L CB 0.232 42.388 42.059 0.160 0.000 1.330 216 L HN -0.215 8.057 8.230 0.071 0.000 0.410 217 P HA 0.066 4.523 4.420 0.060 0.000 0.261 217 P C -0.655 176.684 177.300 0.065 0.000 1.183 217 P CA 0.667 63.816 63.100 0.081 0.000 0.761 217 P CB 0.483 32.241 31.700 0.096 0.000 0.785 218 S N 3.129 118.856 115.700 0.046 0.000 2.412 218 S HA -0.038 4.457 4.470 0.042 0.000 0.223 218 S C -0.210 174.409 174.600 0.032 0.000 1.048 218 S CA 1.078 59.300 58.200 0.037 0.000 0.954 218 S CB 0.187 63.403 63.200 0.027 0.000 0.840 218 S HN 0.281 8.614 8.310 0.039 0.000 0.503 219 S N -0.763 114.954 115.700 0.029 0.000 2.611 219 S HA 0.010 4.496 4.470 0.027 0.000 0.268 219 S C -1.677 172.937 174.600 0.023 0.000 1.156 219 S CA -0.487 57.728 58.200 0.025 0.000 0.817 219 S CB 1.399 64.610 63.200 0.019 0.000 1.122 219 S HN -0.622 7.705 8.310 0.028 0.000 0.466 220 N N 0.971 119.684 118.700 0.021 0.000 2.471 220 N HA -0.128 4.623 4.740 0.018 0.000 0.286 220 N C -1.747 173.778 175.510 0.026 0.000 1.327 220 N CA 0.676 53.738 53.050 0.020 0.000 0.657 220 N CB 0.008 38.503 38.487 0.015 0.000 0.901 220 N HN 0.126 8.518 8.380 0.020 0.000 0.531 221 V N -1.176 118.756 119.914 0.029 0.000 3.049 221 V HA 0.523 4.666 4.120 0.037 0.000 0.309 221 V C -1.349 174.766 176.094 0.035 0.000 1.148 221 V CA -0.727 61.595 62.300 0.037 0.000 0.990 221 V CB 1.767 33.620 31.823 0.049 0.000 1.039 221 V HN -0.438 7.768 8.190 0.026 0.000 0.430 222 S N 2.870 118.593 115.700 0.039 0.000 3.624 222 S HA 0.034 4.523 4.470 0.032 0.000 0.244 222 S C -0.231 174.395 174.600 0.044 0.000 1.115 222 S CA 0.246 58.468 58.200 0.036 0.000 0.820 222 S CB 0.507 63.725 63.200 0.030 0.000 0.964 222 S HN 0.015 8.352 8.310 0.044 0.000 0.508 223 V N 4.373 124.319 119.914 0.052 0.000 2.406 223 V HA -0.026 4.129 4.120 0.058 0.000 0.272 223 V C -0.273 175.871 176.094 0.084 0.000 1.043 223 V CA -0.386 61.952 62.300 0.063 0.000 0.915 223 V CB 0.904 32.765 31.823 0.063 0.000 0.988 223 V HN -0.320 7.900 8.190 0.049 0.000 0.466 224 K N 6.178 126.631 120.400 0.089 0.000 2.148 224 K HA -0.122 4.270 4.320 0.121 0.000 0.204 224 K C 0.518 177.209 176.600 0.152 0.000 1.050 224 K CA 0.573 56.930 56.287 0.117 0.000 0.942 224 K CB -0.296 32.265 32.500 0.101 0.000 0.724 224 K HN 0.324 8.619 8.250 0.076 0.000 0.446 225 G N -0.964 107.916 108.800 0.133 0.000 2.349 225 G HA2 0.039 4.239 3.960 0.168 0.000 0.281 225 G HA3 0.039 4.079 3.960 0.133 0.000 0.281 225 G C -0.748 174.247 174.900 0.158 0.000 1.182 225 G CA -0.606 44.584 45.100 0.150 0.000 0.899 225 G HN -0.621 7.715 8.290 0.111 0.020 0.455 226 V N 4.649 124.691 119.914 0.213 0.000 2.863 226 V HA 0.134 4.331 4.120 0.129 0.000 0.307 226 V C -0.930 175.266 176.094 0.170 0.000 1.061 226 V CA -0.965 61.445 62.300 0.184 0.000 1.024 226 V CB 2.349 34.300 31.823 0.214 0.000 1.049 226 V HN -0.327 8.022 8.190 0.267 0.000 0.471 227 L N 3.357 124.633 121.223 0.087 0.000 2.319 227 L HA 0.502 5.050 4.340 0.130 -0.130 0.281 227 L C -1.093 175.769 176.870 -0.013 0.000 1.005 227 L CA -0.714 54.167 54.840 0.068 0.000 0.828 227 L CB 1.546 43.628 42.059 0.037 0.000 1.227 227 L HN 0.105 8.366 8.230 0.051 0.000 0.415 228 L N 7.362 128.598 121.223 0.020 0.000 2.307 228 L HA 0.268 4.438 4.340 -0.284 0.000 0.284 228 L C -1.638 175.125 176.870 -0.179 0.000 1.023 228 L CA -1.071 53.675 54.840 -0.157 0.000 0.810 228 L CB 2.749 44.746 42.059 -0.103 0.000 1.231 228 L HN 0.402 8.722 8.230 0.150 0.000 0.423 229 N N 2.558 121.019 118.700 -0.397 0.000 2.437 229 N HA 0.405 5.249 4.740 -0.155 -0.197 0.259 229 N C -1.374 173.839 175.510 -0.496 0.000 0.983 229 N CA -0.262 52.600 53.050 -0.313 0.000 0.937 229 N CB 1.313 39.649 38.487 -0.252 0.000 1.122 229 N HN 0.302 8.399 8.380 -0.473 0.000 0.499 230 F N 3.710 123.625 119.950 -0.059 0.000 2.382 230 F HA 0.334 4.858 4.527 -0.071 -0.040 0.361 230 F C -0.023 175.836 175.800 0.098 0.000 1.109 230 F CA -0.950 57.066 58.000 0.028 0.000 1.031 230 F CB 0.937 40.072 39.000 0.225 0.000 1.234 230 F HN 1.185 9.451 8.300 0.138 0.116 0.445 231 E N 4.476 124.719 120.200 0.072 0.000 2.435 231 E HA -0.019 4.544 4.350 0.132 -0.134 0.256 231 E C -0.989 175.863 176.600 0.420 0.000 1.245 231 E CA 1.492 57.989 56.400 0.160 0.000 0.989 231 E CB 1.486 31.203 29.700 0.029 0.000 0.983 231 E HN 0.537 8.785 8.360 -0.227 -0.024 0.480 232 D N -2.803 117.844 120.400 0.411 0.000 2.738 232 D HA 0.368 5.349 4.640 0.568 0.000 0.237 232 D C 1.057 177.572 176.300 0.359 0.000 1.123 232 D CA -1.428 52.878 54.000 0.511 0.000 0.856 232 D CB 3.265 44.481 40.800 0.694 0.000 1.552 232 D HN 0.196 8.740 8.370 0.290 0.000 0.480 233 V N -0.007 120.098 119.914 0.318 0.000 2.828 233 V HA -0.263 3.948 4.120 0.152 0.000 0.260 233 V C 0.312 176.509 176.094 0.171 0.000 1.101 233 V CA 2.742 65.151 62.300 0.181 0.000 1.123 233 V CB -0.008 31.859 31.823 0.073 0.000 0.704 233 V HN 0.431 8.843 8.190 0.371 0.000 0.493 234 N N 0.555 119.398 118.700 0.239 0.000 2.389 234 N HA 0.004 4.827 4.740 0.139 0.000 0.237 234 N C 0.085 175.680 175.510 0.142 0.000 1.148 234 N CA -0.822 52.340 53.050 0.187 0.000 0.854 234 N CB -0.937 37.691 38.487 0.235 0.000 1.115 234 N HN -0.565 7.966 8.380 0.339 0.052 0.492 235 G N -1.186 107.692 108.800 0.130 0.000 2.350 235 G HA2 -0.362 3.650 3.960 0.087 0.000 0.298 235 G HA3 -0.362 3.634 3.960 0.061 0.000 0.298 235 G C -0.652 174.280 174.900 0.054 0.000 1.037 235 G CA 0.808 45.958 45.100 0.084 0.000 1.074 235 G HN -0.480 7.793 8.290 0.149 0.107 0.511 236 K N -1.868 118.578 120.400 0.076 0.000 2.480 236 K HA 0.424 4.687 4.320 -0.097 0.000 0.258 236 K C -2.059 174.500 176.600 -0.068 0.000 0.990 236 K CA -2.376 53.884 56.287 -0.045 0.000 0.857 236 K CB 3.831 36.284 32.500 -0.078 0.000 1.384 236 K HN -0.591 7.750 8.250 0.151 0.000 0.446 237 V N -0.683 119.071 119.914 -0.266 0.000 2.577 237 V HA 0.166 4.265 4.120 -0.035 0.000 0.303 237 V C -1.280 174.572 176.094 -0.403 0.000 1.042 237 V CA -0.444 61.733 62.300 -0.206 0.000 0.872 237 V CB 1.772 33.504 31.823 -0.152 0.000 0.998 237 V HN 0.219 8.183 8.190 -0.377 0.000 0.423 238 W N 7.293 128.498 121.300 -0.158 0.000 2.529 238 W HA 0.313 4.786 4.660 -0.311 0.000 0.321 238 W C -1.128 175.103 176.519 -0.480 0.000 1.047 238 W CA -1.571 55.537 57.345 -0.396 0.000 1.216 238 W CB 2.582 31.653 29.460 -0.648 0.000 1.357 238 W HN 0.617 8.785 8.180 0.182 0.121 0.489 239 R N 3.038 123.394 120.500 -0.239 0.000 2.332 239 R HA 0.590 5.071 4.340 -0.084 -0.191 0.306 239 R C -0.808 175.466 176.300 -0.045 0.000 1.117 239 R CA -1.019 55.007 56.100 -0.125 0.000 1.108 239 R CB 0.335 30.602 30.300 -0.054 0.000 1.126 239 R HN 0.502 8.657 8.270 -0.191 0.000 0.548 240 F N 3.676 123.807 119.950 0.302 0.000 2.379 240 F HA 0.239 5.042 4.527 0.242 -0.131 0.332 240 F C -0.093 175.838 175.800 0.218 0.000 1.096 240 F CA -1.922 56.236 58.000 0.263 0.000 1.105 240 F CB 1.367 40.526 39.000 0.264 0.000 1.189 240 F HN -0.172 8.201 8.300 0.122 0.000 0.515 241 R N 0.208 120.942 120.500 0.390 0.000 2.221 241 R HA 0.242 4.855 4.340 0.254 -0.121 0.327 241 R C -0.872 175.592 176.300 0.274 0.000 1.033 241 R CA -1.493 54.770 56.100 0.272 0.000 0.887 241 R CB 0.533 30.954 30.300 0.201 0.000 1.057 241 R HN 0.028 8.547 8.270 0.415 0.000 0.455 242 Y N 8.840 129.211 120.300 0.118 0.000 2.539 242 Y HA 0.168 4.883 4.550 0.030 -0.147 0.352 242 Y C -1.223 174.705 175.900 0.047 0.000 1.004 242 Y CA -0.501 57.643 58.100 0.073 0.000 1.278 242 Y CB -0.121 38.407 38.460 0.114 0.000 1.136 242 Y HN 0.765 9.156 8.280 0.359 0.104 0.528 243 S N 7.380 122.937 115.700 -0.237 0.000 2.608 243 S HA 0.186 4.650 4.470 -0.009 0.000 0.291 243 S C -2.048 172.362 174.600 -0.316 0.000 1.146 243 S CA -1.213 56.890 58.200 -0.162 0.000 1.043 243 S CB 2.498 65.663 63.200 -0.059 0.000 1.037 243 S HN 0.309 8.334 8.310 -0.310 0.100 0.520 244 Y N 3.706 123.936 120.300 -0.115 0.000 2.353 244 Y HA 0.047 4.396 4.550 -0.336 0.000 0.340 244 Y C -0.553 175.421 175.900 0.123 0.000 0.972 244 Y CA -0.252 57.761 58.100 -0.145 0.000 1.157 244 Y CB 1.156 39.534 38.460 -0.136 0.000 1.157 244 Y HN 0.272 8.658 8.280 0.176 0.000 0.495 245 W N 5.799 127.104 121.300 0.007 0.000 2.578 245 W HA 0.162 4.806 4.660 -0.028 0.000 0.346 245 W C -1.444 175.056 176.519 -0.031 0.000 1.075 245 W CA -1.843 55.483 57.345 -0.032 0.000 1.233 245 W CB 2.569 31.985 29.460 -0.073 0.000 1.358 245 W HN -0.243 8.040 8.180 0.172 0.000 0.574 246 N N 0.451 119.206 118.700 0.091 0.000 2.725 246 N HA -0.448 4.264 4.740 -0.046 0.000 0.256 246 N C 0.023 175.506 175.510 -0.044 0.000 1.087 246 N CA 0.502 53.555 53.050 0.004 0.000 0.690 246 N CB -1.127 37.382 38.487 0.037 0.000 0.891 246 N HN 0.541 8.916 8.380 -0.009 0.000 0.553 247 S N -2.642 113.008 115.700 -0.083 0.000 4.157 247 S HA -0.423 3.965 4.470 -0.135 0.000 0.521 247 S C -0.286 174.124 174.600 -0.316 0.000 1.858 247 S CA 2.387 60.497 58.200 -0.150 0.000 4.242 247 S CB -0.362 62.762 63.200 -0.127 0.000 0.300 247 S HN 0.416 8.683 8.310 -0.072 0.000 0.454 248 S N -0.556 114.918 115.700 -0.377 0.000 3.041 248 S HA 0.122 3.513 4.470 -1.798 0.000 0.244 248 S C -1.481 172.932 174.600 -0.312 0.000 0.837 248 S CA 0.563 58.250 58.200 -0.855 0.000 1.206 248 S CB 0.922 63.671 63.200 -0.751 0.000 1.218 248 S HN 0.096 8.254 8.310 -0.220 0.020 0.591 249 Q N 1.945 121.696 119.800 -0.082 0.000 2.159 249 Q HA -0.091 4.279 4.340 0.049 0.000 0.194 249 Q C -0.542 175.471 176.000 0.023 0.000 0.968 249 Q CA 2.069 57.883 55.803 0.019 0.000 0.837 249 Q CB 1.714 30.462 28.738 0.016 0.000 0.920 249 Q HN 0.041 8.258 8.270 -0.088 0.000 0.485 250 S N -2.986 112.712 115.700 -0.004 0.000 2.730 250 S HA 0.102 4.661 4.470 0.149 0.000 0.284 250 S C -0.781 173.596 174.600 -0.372 0.000 1.153 250 S CA 0.034 58.227 58.200 -0.011 0.000 0.995 250 S CB 1.886 65.134 63.200 0.081 0.000 1.058 250 S HN -0.802 7.530 8.310 0.037 0.000 0.552 251 Y N -3.307 116.836 120.300 -0.263 0.000 2.576 251 Y HA 0.380 4.596 4.550 -0.704 -0.089 0.346 251 Y C -1.323 174.192 175.900 -0.642 0.000 1.018 251 Y CA -1.110 56.619 58.100 -0.618 0.000 1.050 251 Y CB 3.197 41.206 38.460 -0.752 0.000 1.280 251 Y HN -0.293 8.068 8.280 0.136 0.000 0.474 252 V N -5.510 113.964 119.914 -0.733 0.000 3.181 252 V HA 0.706 4.517 4.120 -0.662 -0.088 0.308 252 V C -2.091 173.647 176.094 -0.594 0.000 1.214 252 V CA -2.581 59.231 62.300 -0.813 0.000 1.053 252 V CB 3.729 34.632 31.823 -1.532 0.000 1.069 252 V HN 1.135 8.795 8.190 -0.883 0.000 0.441 253 L N 1.434 122.353 121.223 -0.506 0.000 2.433 253 L HA 0.625 5.108 4.340 -0.078 -0.189 0.256 253 L C -0.295 176.411 176.870 -0.272 0.000 1.063 253 L CA -0.991 53.687 54.840 -0.270 0.000 0.922 253 L CB 0.868 42.746 42.059 -0.301 0.000 1.238 253 L HN 0.692 8.432 8.230 -0.645 0.103 0.466 254 T N 0.286 114.758 114.554 -0.136 0.000 2.847 254 T HA 0.103 4.424 4.350 -0.049 0.000 0.279 254 T C -1.425 173.357 174.700 0.137 0.000 0.984 254 T CA -1.592 60.500 62.100 -0.012 0.000 0.988 254 T CB 1.883 70.775 68.868 0.041 0.000 1.040 254 T HN -0.266 7.900 8.240 -0.123 0.000 0.528 255 K N 1.541 122.053 120.400 0.188 0.000 7.314 255 K HA -0.416 4.041 4.320 0.228 0.000 0.694 255 K C 0.502 177.340 176.600 0.398 0.000 2.568 255 K CA 0.967 57.404 56.287 0.250 0.000 1.889 255 K CB 0.724 33.352 32.500 0.214 0.000 2.060 255 K HN 0.538 8.888 8.250 0.167 0.000 0.284 256 G N 1.639 110.692 108.800 0.422 0.000 2.317 256 G HA2 -0.324 3.941 3.960 0.508 0.000 0.227 256 G HA3 -0.324 4.168 3.960 0.887 0.000 0.227 256 G C 0.180 175.478 174.900 0.663 0.000 1.042 256 G CA 0.372 45.853 45.100 0.636 0.000 0.623 256 G HN 0.415 8.899 8.290 0.323 0.000 0.509 257 W N 1.537 122.923 121.300 0.144 0.000 2.358 257 W HA -0.440 4.063 4.660 -0.263 0.000 0.303 257 W C 0.061 176.618 176.519 0.063 0.000 1.208 257 W CA 3.466 60.762 57.345 -0.081 0.000 1.274 257 W CB -0.212 29.130 29.460 -0.196 0.000 1.138 257 W HN 0.153 8.508 8.180 0.456 0.099 0.515 258 S N -0.723 115.074 115.700 0.161 0.000 2.353 258 S HA -0.430 4.013 4.470 -0.045 0.000 0.222 258 S C 1.759 176.361 174.600 0.002 0.000 1.035 258 S CA 3.652 61.876 58.200 0.041 0.000 1.025 258 S CB -0.705 62.559 63.200 0.108 0.000 0.902 258 S HN 0.183 8.661 8.310 0.281 0.000 0.440 259 R N 0.151 120.731 120.500 0.132 0.000 2.105 259 R HA -0.255 4.148 4.340 0.106 0.000 0.239 259 R C 2.312 178.689 176.300 0.129 0.000 1.135 259 R CA 3.015 59.219 56.100 0.174 0.000 0.967 259 R CB -0.525 29.963 30.300 0.313 0.000 0.861 259 R HN -0.039 8.355 8.270 0.206 0.000 0.442 260 F N 0.733 120.596 119.950 -0.145 0.000 2.060 260 F HA -0.241 3.901 4.527 -0.642 0.000 0.295 260 F C 1.373 176.782 175.800 -0.651 0.000 1.120 260 F CA 3.484 61.123 58.000 -0.602 0.000 1.205 260 F CB 0.220 38.702 39.000 -0.863 0.000 0.986 260 F HN -0.281 8.057 8.300 0.216 0.092 0.470 261 V N -0.835 118.629 119.914 -0.750 0.000 2.469 261 V HA -0.540 2.995 4.120 -0.975 0.000 0.251 261 V C 2.475 178.259 176.094 -0.516 0.000 1.064 261 V CA 3.630 65.465 62.300 -0.774 0.000 1.066 261 V CB -1.118 30.302 31.823 -0.672 0.000 0.667 261 V HN 0.493 8.198 8.190 -0.629 0.108 0.461 262 K N -0.851 119.341 120.400 -0.348 0.000 2.076 262 K HA -0.193 4.006 4.320 -0.202 0.000 0.204 262 K C 1.775 178.241 176.600 -0.223 0.000 1.051 262 K CA 2.591 58.748 56.287 -0.216 0.000 0.949 262 K CB -0.111 32.325 32.500 -0.106 0.000 0.726 262 K HN -0.287 7.752 8.250 -0.305 0.028 0.443 263 E N -0.596 119.459 120.200 -0.242 0.000 2.038 263 E HA -0.242 4.058 4.350 -0.085 0.000 0.195 263 E C 1.735 178.158 176.600 -0.294 0.000 1.000 263 E CA 2.455 58.748 56.400 -0.179 0.000 0.803 263 E CB 0.360 30.043 29.700 -0.028 0.000 0.750 263 E HN -0.523 7.609 8.360 -0.249 0.079 0.448 264 K N -5.252 114.797 120.400 -0.585 0.000 2.374 264 K HA 0.083 4.196 4.320 -0.345 0.000 0.196 264 K C -0.429 175.909 176.600 -0.438 0.000 1.023 264 K CA -1.444 54.494 56.287 -0.582 0.000 1.103 264 K CB 0.097 31.927 32.500 -1.117 0.000 0.848 264 K HN -0.319 7.432 8.250 -0.832 0.000 0.528 265 N N -2.329 116.137 118.700 -0.391 0.000 2.740 265 N HA -0.446 4.221 4.740 -0.247 -0.075 0.248 265 N C -1.027 174.316 175.510 -0.279 0.000 1.062 265 N CA 0.999 53.888 53.050 -0.268 0.000 0.704 265 N CB -1.297 37.094 38.487 -0.160 0.000 0.968 265 N HN -0.197 7.734 8.380 -0.416 0.200 0.547 266 L N -0.881 120.086 121.223 -0.427 0.000 2.584 266 L HA -0.200 3.980 4.340 -0.266 0.000 0.272 266 L C 0.100 176.859 176.870 -0.184 0.000 1.195 266 L CA 1.469 56.101 54.840 -0.346 0.000 0.920 266 L CB 0.394 42.143 42.059 -0.517 0.000 1.173 266 L HN -0.198 7.574 8.230 -0.591 0.104 0.489 267 R N 5.956 126.404 120.500 -0.086 0.000 2.943 267 R HA 0.300 4.616 4.340 -0.040 0.000 0.246 267 R C -0.737 175.571 176.300 0.013 0.000 1.201 267 R CA -2.803 53.277 56.100 -0.034 0.000 1.056 267 R CB 3.733 34.017 30.300 -0.026 0.000 1.243 267 R HN -0.358 8.065 8.270 -0.067 -0.194 0.498 268 A N -1.741 121.095 122.820 0.026 0.000 2.386 268 A HA -0.163 4.195 4.320 0.063 0.000 0.248 268 A C 0.373 177.981 177.584 0.041 0.000 1.082 268 A CA 0.828 52.892 52.037 0.044 0.000 0.789 268 A CB 0.267 19.291 19.000 0.040 0.000 1.025 268 A HN 0.320 8.480 8.150 0.017 0.000 0.490 269 G N 2.517 111.346 108.800 0.048 0.000 2.213 269 G HA2 -0.305 3.679 3.960 0.040 0.000 0.236 269 G HA3 -0.305 3.675 3.960 0.034 0.000 0.236 269 G C -0.450 174.480 174.900 0.051 0.000 0.991 269 G CA -0.200 44.926 45.100 0.042 0.000 0.629 269 G HN 0.094 8.418 8.290 0.056 0.000 0.517 270 D N 0.421 120.860 120.400 0.066 0.000 2.414 270 D HA 0.241 5.020 4.640 0.070 -0.097 0.251 270 D C -0.606 175.747 176.300 0.089 0.000 1.252 270 D CA 0.175 54.225 54.000 0.083 0.000 0.999 270 D CB 1.291 42.158 40.800 0.112 0.000 1.093 270 D HN -0.762 7.566 8.370 0.067 0.083 0.515 271 V N -1.754 118.216 119.914 0.094 0.000 2.487 271 V HA 0.106 4.351 4.120 0.080 -0.077 0.298 271 V C -1.435 174.705 176.094 0.077 0.000 1.028 271 V CA -0.733 61.612 62.300 0.076 0.000 0.860 271 V CB 2.381 34.229 31.823 0.042 0.000 0.991 271 V HN -0.457 7.795 8.190 0.104 0.000 0.427 272 V N 8.138 128.084 119.914 0.055 0.000 2.347 272 V HA 0.488 4.729 4.120 -0.041 -0.145 0.280 272 V C -0.970 174.977 176.094 -0.244 0.000 1.021 272 V CA -0.946 61.318 62.300 -0.061 0.000 0.847 272 V CB 0.739 32.576 31.823 0.024 0.000 0.990 272 V HN 0.796 8.938 8.190 0.077 0.094 0.444 273 S N 5.527 120.960 115.700 -0.445 0.000 2.648 273 S HA 0.792 5.213 4.470 -0.295 -0.128 0.305 273 S C -0.905 173.175 174.600 -0.868 0.000 1.094 273 S CA -1.802 56.128 58.200 -0.450 0.000 0.983 273 S CB 3.190 66.268 63.200 -0.204 0.000 1.101 273 S HN 0.466 8.546 8.310 -0.383 0.000 0.514 274 F N -0.904 118.888 119.950 -0.262 0.000 2.588 274 F HA 0.636 5.410 4.527 0.031 -0.229 0.318 274 F C -0.845 174.857 175.800 -0.163 0.000 1.155 274 F CA -1.015 56.868 58.000 -0.195 0.000 0.967 274 F CB 4.054 42.827 39.000 -0.379 0.000 1.236 274 F HN 0.247 8.347 8.300 -0.333 0.000 0.455 275 S N 2.397 118.241 115.700 0.240 0.000 2.568 275 S HA 0.531 5.181 4.470 0.026 -0.164 0.302 275 S C -1.389 173.357 174.600 0.242 0.000 1.082 275 S CA -0.717 57.582 58.200 0.165 0.000 1.009 275 S CB 2.973 66.245 63.200 0.119 0.000 1.069 275 S HN 0.229 8.779 8.310 0.401 0.000 0.500 276 R N 0.828 121.394 120.500 0.110 0.000 2.621 276 R HA 0.453 4.979 4.340 0.054 -0.153 0.284 276 R C -1.359 174.982 176.300 0.068 0.000 0.998 276 R CA -1.746 54.384 56.100 0.049 0.000 0.895 276 R CB 4.286 34.540 30.300 -0.077 0.000 1.195 276 R HN 0.764 9.057 8.270 0.039 0.000 0.450 277 S N 4.128 119.884 115.700 0.093 0.000 2.541 277 S HA 0.228 4.735 4.470 0.063 0.000 0.283 277 S C -0.340 174.261 174.600 0.002 0.000 1.196 277 S CA -0.709 57.535 58.200 0.074 0.000 1.062 277 S CB 1.636 64.921 63.200 0.140 0.000 1.009 277 S HN -0.094 8.254 8.310 0.065 0.000 0.502 278 N N 4.697 123.396 118.700 -0.001 0.000 2.322 278 N HA 0.017 4.742 4.740 -0.026 0.000 0.216 278 N C 0.028 175.529 175.510 -0.015 0.000 1.144 278 N CA 0.069 53.111 53.050 -0.014 0.000 0.830 278 N CB 0.403 38.885 38.487 -0.008 0.000 1.034 278 N HN 0.363 8.747 8.380 0.007 0.000 0.484 279 G N -0.595 108.198 108.800 -0.012 0.000 2.525 279 G HA2 0.026 3.981 3.960 -0.010 0.000 0.276 279 G HA3 0.026 3.982 3.960 -0.007 0.000 0.276 279 G C -0.202 174.682 174.900 -0.026 0.000 1.388 279 G CA -0.447 44.645 45.100 -0.013 0.000 1.050 279 G HN -0.336 7.842 8.290 -0.005 0.109 0.520 280 Q N -1.899 117.886 119.800 -0.025 0.000 2.172 280 Q HA -0.084 4.238 4.340 -0.029 0.000 0.200 280 Q C 0.067 176.041 176.000 -0.043 0.000 0.964 280 Q CA 1.430 57.215 55.803 -0.030 0.000 0.855 280 Q CB 0.407 29.130 28.738 -0.024 0.000 0.918 280 Q HN 0.115 8.374 8.270 -0.019 0.000 0.444 281 D N -0.915 119.455 120.400 -0.049 0.000 2.303 281 D HA 0.122 4.719 4.640 -0.072 0.000 0.236 281 D C -1.059 175.183 176.300 -0.097 0.000 1.068 281 D CA -0.542 53.416 54.000 -0.070 0.000 0.830 281 D CB 0.918 41.678 40.800 -0.066 0.000 1.109 281 D HN -0.305 8.022 8.370 -0.040 0.019 0.496 282 Q N 3.415 123.141 119.800 -0.124 0.000 2.257 282 Q HA -0.162 4.085 4.340 -0.155 0.000 0.273 282 Q C -0.387 175.473 176.000 -0.232 0.000 1.153 282 Q CA 0.727 56.426 55.803 -0.173 0.000 0.922 282 Q CB -0.015 28.605 28.738 -0.196 0.000 1.242 282 Q HN 0.231 8.433 8.270 -0.114 0.000 0.409 283 Q N 4.100 123.750 119.800 -0.249 0.000 2.356 283 Q HA 0.235 4.336 4.340 -0.399 0.000 0.270 283 Q C -1.949 173.736 176.000 -0.525 0.000 1.058 283 Q CA -0.832 54.744 55.803 -0.378 0.000 0.802 283 Q CB 2.567 31.111 28.738 -0.323 0.000 1.303 283 Q HN -0.031 8.127 8.270 -0.186 0.000 0.444 284 L N 3.625 124.426 121.223 -0.703 0.000 2.299 284 L HA 0.919 5.228 4.340 -0.330 -0.166 0.268 284 L C -0.879 175.580 176.870 -0.685 0.000 1.012 284 L CA -1.395 53.081 54.840 -0.606 0.000 0.816 284 L CB 3.897 45.420 42.059 -0.893 0.000 1.355 284 L HN 0.201 8.021 8.230 -0.684 0.000 0.457 285 Y N -5.194 115.295 120.300 0.315 0.000 2.479 285 Y HA 0.284 5.274 4.550 0.360 -0.224 0.338 285 Y C -1.256 174.919 175.900 0.458 0.000 1.055 285 Y CA -1.115 57.198 58.100 0.355 0.000 1.023 285 Y CB 3.549 42.111 38.460 0.170 0.000 1.287 285 Y HN -0.154 8.425 8.280 0.499 0.000 0.447 286 I N 2.823 123.694 120.570 0.502 0.000 2.362 286 I HA 0.516 4.836 4.170 0.000 -0.150 0.289 286 I C -1.735 174.542 176.117 0.267 0.000 0.994 286 I CA -2.109 59.318 61.300 0.212 0.000 1.158 286 I CB 2.886 40.908 38.000 0.037 0.000 1.315 286 I HN -0.296 8.229 8.210 0.525 0.000 0.451 287 G N 7.809 116.652 108.800 0.072 0.000 2.530 287 G HA2 0.530 4.530 3.960 0.066 0.000 0.316 287 G HA3 0.530 4.447 3.960 -0.073 0.000 0.316 287 G C -2.715 172.266 174.900 0.135 0.000 1.298 287 G CA -0.950 44.186 45.100 0.060 0.000 0.948 287 G HN -0.293 7.894 8.290 -0.172 0.000 0.486 288 W N 2.412 123.710 121.300 -0.004 0.000 2.761 288 W HA 1.093 5.992 4.660 -0.029 -0.256 0.340 288 W C -1.599 174.911 176.519 -0.015 0.000 1.072 288 W CA -2.986 54.356 57.345 -0.005 0.000 1.215 288 W CB 2.480 31.958 29.460 0.031 0.000 1.420 288 W HN -0.107 7.843 8.180 -0.382 0.000 0.519 289 K N 2.873 123.317 120.400 0.074 0.000 2.426 289 K HA 0.338 4.581 4.320 -0.129 0.000 0.254 289 K C -0.889 175.750 176.600 0.066 0.000 0.936 289 K CA -1.084 55.193 56.287 -0.018 0.000 0.801 289 K CB 2.870 35.351 32.500 -0.031 0.000 1.139 289 K HN -0.144 8.206 8.250 0.167 0.000 0.424 290 S N 2.546 118.275 115.700 0.048 0.000 2.655 290 S HA 0.145 4.921 4.470 0.087 -0.254 0.265 290 S C 0.329 174.947 174.600 0.030 0.000 1.240 290 S CA -0.481 57.756 58.200 0.062 0.000 0.986 290 S CB 1.019 64.256 63.200 0.062 0.000 0.985 290 S HN 0.243 8.552 8.310 -0.002 0.000 0.562 291 R N 1.598 122.115 120.500 0.028 0.000 2.267 291 R HA -0.026 4.324 4.340 0.017 0.000 0.319 291 R C -0.638 175.668 176.300 0.010 0.000 1.067 291 R CA 0.984 57.094 56.100 0.018 0.000 0.936 291 R CB 0.074 30.384 30.300 0.018 0.000 1.006 291 R HN 0.437 8.726 8.270 0.032 0.000 0.452 292 S N 4.299 120.002 115.700 0.005 0.000 3.325 292 S HA 0.073 4.544 4.470 0.002 0.000 0.254 292 S C -0.513 174.087 174.600 0.001 0.000 1.084 292 S CA -0.123 58.077 58.200 0.001 0.000 0.786 292 S CB 1.463 64.660 63.200 -0.005 0.000 0.849 292 S HN 0.467 8.780 8.310 0.006 0.000 0.483 293 G N 1.669 110.469 108.800 0.001 0.000 2.390 293 G HA2 0.247 4.207 3.960 -0.000 0.000 0.270 293 G HA3 0.247 4.369 3.960 0.000 -0.162 0.270 293 G C -0.170 174.733 174.900 0.004 0.000 1.211 293 G CA -0.291 44.810 45.100 0.001 0.000 0.842 293 G HN -0.019 8.272 8.290 0.000 0.000 0.519 294 S N 3.341 119.043 115.700 0.003 0.000 2.356 294 S HA -0.087 4.386 4.470 0.006 0.000 0.219 294 S C 0.313 174.916 174.600 0.005 0.000 1.036 294 S CA 2.082 60.285 58.200 0.004 0.000 0.965 294 S CB 0.434 63.636 63.200 0.004 0.000 0.864 294 S HN 0.330 8.642 8.310 0.002 0.000 0.471 295 D N 0.294 120.697 120.400 0.004 0.000 2.255 295 D HA 0.072 4.715 4.640 0.005 0.000 0.224 295 D C -0.460 175.843 176.300 0.005 0.000 0.997 295 D CA 0.529 54.532 54.000 0.005 0.000 0.906 295 D CB 0.410 41.212 40.800 0.004 0.000 1.047 295 D HN -0.274 8.098 8.370 0.003 0.000 0.458 296 L N 0.447 121.673 121.223 0.004 0.000 2.456 296 L HA 0.111 4.454 4.340 0.005 0.000 0.277 296 L C -0.624 176.249 176.870 0.004 0.000 1.124 296 L CA -0.068 54.774 54.840 0.004 0.000 0.880 296 L CB -0.229 41.831 42.059 0.002 0.000 1.192 296 L HN -0.530 7.701 8.230 0.003 0.000 0.463 297 D N 4.043 124.447 120.400 0.007 0.000 2.443 297 D HA -0.107 4.538 4.640 0.009 0.000 0.239 297 D C 0.020 176.323 176.300 0.005 0.000 1.136 297 D CA 0.751 54.757 54.000 0.009 0.000 0.879 297 D CB 0.788 41.596 40.800 0.013 0.000 1.195 297 D HN 0.110 8.485 8.370 0.008 0.000 0.443 298 A N 0.000 122.822 122.820 0.003 0.000 2.254 298 A HA 0.000 4.316 4.320 -0.007 0.000 0.244 298 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 298 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 298 A HN 0.000 8.154 8.150 0.007 0.000 0.486