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 2k7x_1_A DATA FIRST_RESID 187 DATA SEQUENCE DRQTAQAAGT DTTITLNVLA WLYAAVINGD RWFLNRFTTT LNDFNLVAMK DATA SEQUENCE YNYEPLTQDH VDILGPLSAQ TGIAVLDMCA ALKELLQNGM NGRTILGSTI DATA SEQUENCE LEDEFTPFDV VRQCSGVTFQ 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 187 D HA 0.000 4.631 4.640 -0.015 0.000 0.175 187 D C 0.000 176.287 176.300 -0.021 0.000 2.045 187 D CA 0.000 53.990 54.000 -0.017 0.000 0.868 187 D CB 0.000 40.792 40.800 -0.014 0.000 0.688 188 R N -0.172 120.316 120.500 -0.019 0.000 3.738 188 R HA -0.662 3.668 4.340 -0.018 0.000 0.392 188 R C 0.762 177.046 176.300 -0.027 0.000 0.449 188 R CA 2.318 58.405 56.100 -0.021 0.000 0.983 188 R CB -0.461 29.828 30.300 -0.019 0.000 0.754 188 R HN 0.268 8.529 8.270 -0.016 0.000 0.469 189 Q N -3.597 116.180 119.800 -0.038 0.000 2.091 189 Q HA -0.393 3.908 4.340 -0.065 0.000 0.304 189 Q C 0.856 176.832 176.000 -0.040 0.000 2.420 189 Q CA 2.152 57.926 55.803 -0.048 0.000 0.668 189 Q CB -1.910 26.801 28.738 -0.045 0.000 1.119 189 Q HN 0.240 8.486 8.270 -0.040 0.000 0.696 190 T N 2.017 116.553 114.554 -0.030 0.000 4.282 190 T HA -0.107 4.229 4.350 -0.022 0.000 0.231 190 T C -0.275 174.415 174.700 -0.017 0.000 1.004 190 T CA -0.233 61.854 62.100 -0.022 0.000 1.146 190 T CB -1.330 67.527 68.868 -0.018 0.000 1.285 190 T HN -0.144 8.079 8.240 -0.029 0.000 0.971 191 A N 4.632 127.442 122.820 -0.016 0.000 2.307 191 A HA -0.189 4.124 4.320 -0.012 0.000 0.271 191 A C 0.628 178.207 177.584 -0.009 0.000 1.188 191 A CA 0.271 52.302 52.037 -0.011 0.000 0.810 191 A CB 0.328 19.325 19.000 -0.005 0.000 1.123 191 A HN -0.053 8.037 8.150 -0.019 0.049 0.509 192 Q N -4.154 115.640 119.800 -0.010 0.000 2.284 192 Q HA -0.497 3.995 4.340 -0.013 -0.159 0.205 192 Q C 0.241 176.236 176.000 -0.008 0.000 0.682 192 Q CA 1.725 57.523 55.803 -0.009 0.000 1.401 192 Q CB -1.875 26.860 28.738 -0.006 0.000 1.643 192 Q HN 0.374 9.017 8.270 -0.011 -0.380 0.717 193 A N -1.006 121.809 122.820 -0.009 0.000 2.093 193 A HA -0.300 4.016 4.320 -0.007 0.000 0.222 193 A C 0.651 178.229 177.584 -0.009 0.000 1.162 193 A CA 2.219 54.251 52.037 -0.008 0.000 0.655 193 A CB -0.582 18.413 19.000 -0.009 0.000 0.805 193 A HN -0.581 7.449 8.150 -0.009 0.115 0.461 194 A N -2.773 120.041 122.820 -0.010 0.000 2.252 194 A HA -0.073 4.241 4.320 -0.010 0.000 0.207 194 A C 0.806 178.383 177.584 -0.011 0.000 1.194 194 A CA -0.725 51.305 52.037 -0.011 0.000 0.809 194 A CB -0.522 18.470 19.000 -0.014 0.000 0.814 194 A HN -0.222 7.866 8.150 -0.011 0.055 0.482 195 G N -2.169 106.626 108.800 -0.009 0.000 2.212 195 G HA2 -0.369 3.588 3.960 -0.005 0.000 0.267 195 G HA3 -0.369 3.586 3.960 -0.007 0.000 0.267 195 G C -0.965 173.929 174.900 -0.010 0.000 1.002 195 G CA 1.372 46.468 45.100 -0.008 0.000 0.729 195 G HN 0.335 8.442 8.290 -0.008 0.178 0.517 196 T N -3.092 111.454 114.554 -0.014 0.000 2.628 196 T HA 0.134 4.472 4.350 -0.021 0.000 0.274 196 T C 0.354 175.038 174.700 -0.027 0.000 1.154 196 T CA -0.646 61.442 62.100 -0.021 0.000 1.144 196 T CB 1.537 70.391 68.868 -0.023 0.000 1.734 196 T HN -0.899 7.299 8.240 -0.014 0.034 0.449 197 D N -1.727 118.652 120.400 -0.036 0.000 2.304 197 D HA -0.273 4.340 4.640 -0.045 0.000 0.162 197 D C -0.675 175.593 176.300 -0.052 0.000 1.458 197 D CA 1.998 55.974 54.000 -0.040 0.000 1.334 197 D CB -0.312 40.472 40.800 -0.028 0.000 1.250 197 D HN 0.185 8.533 8.370 -0.038 0.000 0.458 198 T N -0.132 114.391 114.554 -0.052 0.000 2.930 198 T HA -0.165 4.449 4.350 -0.060 -0.300 0.306 198 T C 1.083 175.698 174.700 -0.143 0.000 1.045 198 T CA 0.906 62.963 62.100 -0.072 0.000 1.134 198 T CB 0.773 69.617 68.868 -0.040 0.000 0.961 198 T HN -0.372 7.738 8.240 -0.039 0.106 0.545 199 T N 5.235 119.631 114.554 -0.263 0.000 2.928 199 T HA -0.207 3.952 4.350 -0.319 0.000 0.305 199 T C -0.314 174.187 174.700 -0.330 0.000 1.035 199 T CA 1.990 63.832 62.100 -0.429 0.000 1.145 199 T CB 0.528 68.824 68.868 -0.954 0.000 0.963 199 T HN 0.418 8.398 8.240 -0.250 0.109 0.545 200 I N 8.001 128.431 120.570 -0.233 0.000 2.357 200 I HA -0.113 4.000 4.170 -0.095 0.000 0.300 200 I C 0.658 176.708 176.117 -0.111 0.000 1.159 200 I CA 0.465 61.687 61.300 -0.129 0.000 1.339 200 I CB -1.563 36.389 38.000 -0.080 0.000 1.458 200 I HN -0.082 8.238 8.210 -0.231 -0.249 0.577 201 T N 9.269 123.776 114.554 -0.078 0.000 2.665 201 T HA -0.384 4.060 4.350 0.157 0.000 0.268 201 T C 1.670 176.420 174.700 0.082 0.000 1.035 201 T CA 4.570 66.710 62.100 0.067 0.000 1.151 201 T CB -0.388 68.539 68.868 0.099 0.000 0.862 201 T HN -0.058 8.126 8.240 -0.093 0.000 0.438 202 L N 0.149 121.374 121.223 0.003 0.000 2.021 202 L HA -0.342 4.052 4.340 0.090 0.000 0.215 202 L C 1.326 178.270 176.870 0.123 0.000 1.074 202 L CA 3.923 58.808 54.840 0.074 0.000 0.760 202 L CB -0.153 41.980 42.059 0.123 0.000 0.889 202 L HN 0.318 8.494 8.230 -0.089 0.000 0.433 203 N N -1.710 117.045 118.700 0.092 0.000 2.300 203 N HA -0.096 4.856 4.740 0.166 -0.112 0.179 203 N C 2.420 178.045 175.510 0.192 0.000 1.016 203 N CA 2.315 55.441 53.050 0.126 0.000 0.876 203 N CB -0.303 38.211 38.487 0.046 0.000 0.979 203 N HN -0.436 7.841 8.380 0.043 0.128 0.432 204 V N 2.401 122.401 119.914 0.143 0.000 2.343 204 V HA -0.263 4.198 4.120 0.237 -0.199 0.247 204 V C 2.223 178.512 176.094 0.326 0.000 1.051 204 V CA 3.982 66.419 62.300 0.228 0.000 1.036 204 V CB -0.488 31.438 31.823 0.171 0.000 0.654 204 V HN -0.271 7.964 8.190 0.075 0.000 0.451 205 L N -1.276 120.087 121.223 0.234 0.000 2.046 205 L HA -0.423 3.968 4.340 0.084 0.000 0.208 205 L C 2.049 179.070 176.870 0.251 0.000 1.077 205 L CA 3.373 58.316 54.840 0.172 0.000 0.747 205 L CB -1.085 41.066 42.059 0.153 0.000 0.896 205 L HN 0.084 8.440 8.230 0.211 0.000 0.432 206 A N -0.568 122.436 122.820 0.308 0.000 1.908 206 A HA -0.293 4.266 4.320 0.397 0.000 0.218 206 A C 1.674 179.444 177.584 0.310 0.000 1.181 206 A CA 3.012 55.246 52.037 0.328 0.000 0.627 206 A CB -0.995 18.162 19.000 0.263 0.000 0.818 206 A HN 0.109 8.417 8.150 0.263 0.000 0.445 207 W N -0.329 121.040 121.300 0.115 0.000 2.388 207 W HA -0.349 4.319 4.660 0.012 0.000 0.294 207 W C 1.218 177.725 176.519 -0.019 0.000 1.212 207 W CA 4.483 61.862 57.345 0.057 0.000 1.271 207 W CB -0.040 29.499 29.460 0.132 0.000 1.126 207 W HN 0.026 8.394 8.180 0.492 0.108 0.535 208 L N -0.944 120.198 121.223 -0.135 0.000 2.017 208 L HA -0.547 3.251 4.340 -0.904 0.000 0.208 208 L C 2.502 179.244 176.870 -0.213 0.000 1.073 208 L CA 3.449 58.016 54.840 -0.454 0.000 0.745 208 L CB -0.513 41.306 42.059 -0.400 0.000 0.894 208 L HN 0.211 8.478 8.230 0.186 0.074 0.432 209 Y N -2.368 117.901 120.300 -0.052 0.000 2.207 209 Y HA -0.416 4.121 4.550 -0.022 0.000 0.287 209 Y C 2.158 178.010 175.900 -0.079 0.000 1.156 209 Y CA 3.540 61.618 58.100 -0.037 0.000 1.182 209 Y CB -1.093 37.361 38.460 -0.010 0.000 0.979 209 Y HN 0.102 8.391 8.280 0.016 0.000 0.521 210 A N -0.959 121.872 122.820 0.019 0.000 1.908 210 A HA -0.460 3.833 4.320 -0.046 0.000 0.218 210 A C 1.381 178.875 177.584 -0.149 0.000 1.181 210 A CA 2.946 54.930 52.037 -0.089 0.000 0.627 210 A CB -1.004 17.900 19.000 -0.160 0.000 0.818 210 A HN 0.447 8.440 8.150 0.043 0.183 0.445 211 A N -1.251 121.423 122.820 -0.244 0.000 1.902 211 A HA -0.268 3.944 4.320 -0.180 0.000 0.217 211 A C 2.198 179.739 177.584 -0.072 0.000 1.181 211 A CA 3.077 55.004 52.037 -0.184 0.000 0.623 211 A CB -0.786 18.057 19.000 -0.262 0.000 0.818 211 A HN -0.226 7.627 8.150 -0.358 0.082 0.443 212 V N -0.585 119.306 119.914 -0.037 0.000 2.287 212 V HA -0.510 3.530 4.120 -0.133 0.000 0.248 212 V C 2.183 178.250 176.094 -0.045 0.000 1.053 212 V CA 3.989 66.248 62.300 -0.069 0.000 1.027 212 V CB -0.700 31.093 31.823 -0.050 0.000 0.646 212 V HN -0.352 7.770 8.190 -0.002 0.067 0.447 213 I N -1.327 119.229 120.570 -0.022 0.000 2.163 213 I HA -0.495 3.661 4.170 -0.024 0.000 0.243 213 I C 1.853 177.946 176.117 -0.040 0.000 1.085 213 I CA 3.474 64.757 61.300 -0.028 0.000 1.347 213 I CB -0.227 37.757 38.000 -0.026 0.000 1.044 213 I HN 0.192 8.399 8.210 -0.004 0.000 0.408 214 N N -2.440 116.229 118.700 -0.050 0.000 2.309 214 N HA -0.132 4.584 4.740 -0.039 0.000 0.182 214 N C 0.758 176.249 175.510 -0.031 0.000 1.018 214 N CA 1.565 54.589 53.050 -0.044 0.000 0.876 214 N CB 1.425 39.879 38.487 -0.055 0.000 0.972 214 N HN -0.139 8.120 8.380 -0.062 0.083 0.434 215 G N -1.771 107.007 108.800 -0.036 0.000 2.157 215 G HA2 -0.242 3.695 3.960 -0.038 0.000 0.114 215 G HA3 -0.242 3.707 3.960 -0.019 0.000 0.114 215 G C -1.292 173.597 174.900 -0.019 0.000 1.041 215 G CA -0.399 44.683 45.100 -0.029 0.000 0.714 215 G HN -0.228 8.011 8.290 -0.047 0.023 0.492 216 D N 0.313 120.695 120.400 -0.029 0.000 2.739 216 D HA 0.204 4.883 4.640 0.065 0.000 0.335 216 D C -0.691 175.553 176.300 -0.094 0.000 1.216 216 D CA -0.775 53.238 54.000 0.023 0.000 0.808 216 D CB 0.431 41.274 40.800 0.072 0.000 1.121 216 D HN -0.091 8.155 8.370 -0.054 0.092 0.499 217 R N 0.812 121.167 120.500 -0.242 0.000 3.179 217 R HA 0.199 3.866 4.340 -1.121 0.000 0.317 217 R C 0.066 175.949 176.300 -0.695 0.000 1.331 217 R CA -0.829 54.883 56.100 -0.646 0.000 1.184 217 R CB -1.405 28.647 30.300 -0.413 0.000 1.408 217 R HN 0.021 8.211 8.270 -0.134 0.000 0.598 218 W N -0.416 120.586 121.300 -0.497 0.000 2.467 218 W HA -0.172 4.350 4.660 -0.230 0.000 0.275 218 W C -0.635 175.713 176.519 -0.285 0.000 1.239 218 W CA 1.272 58.449 57.345 -0.281 0.000 1.266 218 W CB -0.611 28.793 29.460 -0.093 0.000 1.112 218 W HN -0.610 7.371 8.180 -0.331 0.000 0.576 219 F N -4.773 114.637 119.950 -0.900 0.000 2.780 219 F HA 0.074 4.204 4.527 -0.662 0.000 0.299 219 F C -0.580 174.973 175.800 -0.410 0.000 1.146 219 F CA -1.666 55.776 58.000 -0.930 0.000 1.428 219 F CB -0.517 37.574 39.000 -1.516 0.000 1.115 219 F HN -0.662 6.174 8.300 -2.379 0.037 0.583 220 L N -0.381 120.481 121.223 -0.602 0.000 2.467 220 L HA -0.187 4.032 4.340 -0.202 0.000 0.270 220 L C 0.261 177.038 176.870 -0.155 0.000 1.205 220 L CA 0.778 55.428 54.840 -0.317 0.000 0.828 220 L CB -0.049 41.791 42.059 -0.365 0.000 1.101 220 L HN -0.961 6.652 8.230 -0.915 0.068 0.479 221 N N 3.075 121.713 118.700 -0.103 0.000 3.102 221 N HA 0.096 4.800 4.740 -0.060 0.000 0.299 221 N C -0.870 174.562 175.510 -0.130 0.000 1.482 221 N CA -1.146 51.865 53.050 -0.064 0.000 0.785 221 N CB 2.107 40.611 38.487 0.028 0.000 1.680 221 N HN -0.090 8.362 8.380 -0.108 -0.137 0.594 222 R N -0.766 119.577 120.500 -0.261 0.000 2.404 222 R HA 0.109 4.309 4.340 -0.233 0.000 0.237 222 R C -0.699 175.349 176.300 -0.420 0.000 0.907 222 R CA -0.151 55.721 56.100 -0.379 0.000 1.063 222 R CB 0.606 30.608 30.300 -0.496 0.000 1.134 222 R HN 0.118 8.209 8.270 -0.299 0.000 0.529 223 F N -0.220 119.718 119.950 -0.020 0.000 2.378 223 F HA 0.095 4.616 4.527 -0.010 0.000 0.325 223 F C -0.778 175.009 175.800 -0.023 0.000 1.097 223 F CA -1.004 56.987 58.000 -0.014 0.000 1.079 223 F CB 1.429 40.425 39.000 -0.006 0.000 1.240 223 F HN 0.059 8.706 8.300 -0.082 -0.397 0.519 224 T N -1.245 113.412 114.554 0.171 0.000 3.064 224 T HA 0.184 4.651 4.350 0.044 -0.090 0.367 224 T C -0.301 174.443 174.700 0.074 0.000 1.202 224 T CA -1.585 60.561 62.100 0.076 0.000 1.133 224 T CB -0.089 68.806 68.868 0.044 0.000 1.074 224 T HN 0.048 8.422 8.240 0.224 0.000 0.519 225 T N 5.837 120.427 114.554 0.060 0.000 2.856 225 T HA -0.090 4.294 4.350 0.057 0.000 0.306 225 T C -0.019 174.713 174.700 0.054 0.000 1.062 225 T CA 0.384 62.518 62.100 0.058 0.000 1.083 225 T CB 1.440 70.351 68.868 0.072 0.000 0.984 225 T HN -0.240 8.028 8.240 0.047 0.000 0.542 226 T N 3.876 118.469 114.554 0.065 0.000 2.930 226 T HA 0.010 4.393 4.350 0.055 0.000 0.306 226 T C 1.229 175.992 174.700 0.104 0.000 1.045 226 T CA 0.187 62.328 62.100 0.068 0.000 1.134 226 T CB 0.613 69.516 68.868 0.058 0.000 0.961 226 T HN -0.062 8.214 8.240 0.060 0.000 0.545 227 L N 5.764 127.043 121.223 0.093 0.000 2.042 227 L HA -0.294 4.134 4.340 0.146 0.000 0.210 227 L C 1.322 178.291 176.870 0.164 0.000 1.076 227 L CA 3.797 58.715 54.840 0.130 0.000 0.749 227 L CB 0.088 42.205 42.059 0.097 0.000 0.893 227 L HN 0.472 8.743 8.230 0.069 0.000 0.432 228 N N -2.585 116.180 118.700 0.108 0.000 2.250 228 N HA -0.295 4.496 4.740 0.086 0.000 0.181 228 N C 1.408 176.960 175.510 0.071 0.000 1.017 228 N CA 3.518 56.617 53.050 0.082 0.000 0.866 228 N CB -0.606 37.914 38.487 0.055 0.000 0.985 228 N HN 0.160 8.592 8.380 0.087 0.000 0.429 229 D N 0.001 120.449 120.400 0.079 0.000 2.144 229 D HA -0.256 4.404 4.640 0.034 0.000 0.199 229 D C 1.827 178.177 176.300 0.082 0.000 0.984 229 D CA 3.127 57.165 54.000 0.064 0.000 0.834 229 D CB -0.277 40.559 40.800 0.060 0.000 0.955 229 D HN -0.014 8.406 8.370 0.083 0.000 0.465 230 F N 0.481 120.434 119.950 0.005 0.000 2.095 230 F HA -0.449 4.074 4.527 -0.008 0.000 0.298 230 F C 1.210 177.008 175.800 -0.002 0.000 1.104 230 F CA 3.288 61.288 58.000 -0.001 0.000 1.232 230 F CB -0.020 38.983 39.000 0.005 0.000 0.987 230 F HN 0.200 8.653 8.300 0.255 0.000 0.475 231 N N -0.424 118.215 118.700 -0.101 0.000 2.104 231 N HA -0.352 4.215 4.740 -0.288 0.000 0.190 231 N C 2.354 177.774 175.510 -0.151 0.000 1.024 231 N CA 3.183 56.139 53.050 -0.156 0.000 0.853 231 N CB -0.491 37.991 38.487 -0.008 0.000 1.008 231 N HN -0.541 7.829 8.380 0.106 0.074 0.424 232 L N -0.973 120.200 121.223 -0.083 0.000 2.131 232 L HA -0.329 3.973 4.340 -0.064 0.000 0.210 232 L C 1.917 178.733 176.870 -0.090 0.000 1.092 232 L CA 2.961 57.760 54.840 -0.068 0.000 0.759 232 L CB -0.295 41.745 42.059 -0.033 0.000 0.903 232 L HN -0.020 8.110 8.230 -0.041 0.075 0.435 233 V N -1.233 118.619 119.914 -0.103 0.000 2.255 233 V HA -0.461 3.650 4.120 -0.015 0.000 0.243 233 V C 2.183 178.225 176.094 -0.087 0.000 1.038 233 V CA 2.869 65.134 62.300 -0.058 0.000 1.008 233 V CB -0.801 31.005 31.823 -0.029 0.000 0.645 233 V HN -0.435 7.691 8.190 -0.108 0.000 0.449 234 A N 0.266 122.886 122.820 -0.333 0.000 1.892 234 A HA -0.373 3.620 4.320 -0.544 0.000 0.218 234 A C 2.352 179.820 177.584 -0.193 0.000 1.188 234 A CA 3.219 54.982 52.037 -0.457 0.000 0.631 234 A CB -0.666 17.894 19.000 -0.733 0.000 0.822 234 A HN 0.370 8.123 8.150 -0.482 0.108 0.447 235 M N -2.775 116.751 119.600 -0.123 0.000 2.267 235 M HA -0.372 4.288 4.480 0.025 -0.166 0.263 235 M C 2.591 178.846 176.300 -0.075 0.000 1.063 235 M CA 3.400 58.673 55.300 -0.045 0.000 1.090 235 M CB -0.131 32.440 32.600 -0.049 0.000 1.392 235 M HN 0.140 8.332 8.290 -0.163 0.000 0.422 236 K N -2.114 118.178 120.400 -0.180 0.000 2.442 236 K HA -0.234 3.929 4.320 -0.261 0.000 0.198 236 K C 0.994 177.300 176.600 -0.489 0.000 1.044 236 K CA 2.304 58.366 56.287 -0.376 0.000 0.948 236 K CB 0.095 32.234 32.500 -0.602 0.000 0.762 236 K HN -0.424 7.602 8.250 -0.164 0.125 0.472 237 Y N -5.175 115.094 120.300 -0.052 0.000 2.706 237 Y HA 0.029 4.588 4.550 0.015 0.000 0.255 237 Y C -1.709 174.306 175.900 0.192 0.000 1.163 237 Y CA -1.187 56.926 58.100 0.021 0.000 1.174 237 Y CB -0.194 38.220 38.460 -0.077 0.000 1.200 237 Y HN -0.402 7.706 8.280 0.014 0.180 0.544 238 N N -1.348 117.483 118.700 0.219 0.000 2.699 238 N HA -0.415 4.380 4.740 0.092 0.000 0.257 238 N C -2.490 173.154 175.510 0.224 0.000 1.077 238 N CA 0.971 54.120 53.050 0.165 0.000 0.702 238 N CB -1.122 37.414 38.487 0.081 0.000 0.886 238 N HN -0.666 7.701 8.380 0.097 0.072 0.549 239 Y N -2.816 117.470 120.300 -0.024 0.000 2.536 239 Y HA 0.336 5.005 4.550 -0.040 -0.143 0.347 239 Y C 0.347 176.216 175.900 -0.052 0.000 1.000 239 Y CA -1.993 56.081 58.100 -0.045 0.000 1.051 239 Y CB 3.356 41.772 38.460 -0.072 0.000 1.259 239 Y HN -0.648 7.790 8.280 0.263 0.000 0.468 240 E N 2.116 122.348 120.200 0.054 0.000 2.390 240 E HA 0.154 4.524 4.350 0.033 0.000 0.261 240 E C -1.604 175.008 176.600 0.020 0.000 1.076 240 E CA -1.735 54.681 56.400 0.028 0.000 0.905 240 E CB 0.266 29.971 29.700 0.007 0.000 0.984 240 E HN 0.020 8.373 8.360 -0.012 0.000 0.427 241 P HA -0.116 4.405 4.420 0.009 -0.095 0.271 241 P C -1.236 176.077 177.300 0.021 0.000 1.226 241 P CA -0.083 63.038 63.100 0.035 0.000 0.765 241 P CB 0.174 31.911 31.700 0.061 0.000 0.835 242 L N 6.199 127.433 121.223 0.018 0.000 2.472 242 L HA 0.000 4.066 4.340 -0.458 0.000 0.260 242 L C -0.164 176.852 176.870 0.242 0.000 1.209 242 L CA 0.552 55.396 54.840 0.006 0.000 0.817 242 L CB 2.010 44.178 42.059 0.181 0.000 1.106 242 L HN 0.411 8.948 8.230 0.068 -0.267 0.479 243 T N -1.995 112.807 114.554 0.414 0.000 2.787 243 T HA 0.151 4.616 4.350 0.193 0.000 0.297 243 T C -0.235 174.582 174.700 0.195 0.000 1.221 243 T CA -1.548 60.718 62.100 0.278 0.000 1.006 243 T CB 2.121 71.131 68.868 0.237 0.000 1.328 243 T HN -0.495 8.048 8.240 0.506 0.000 0.509 244 Q N 1.097 120.965 119.800 0.113 0.000 2.181 244 Q HA -0.277 4.111 4.340 0.079 0.000 0.205 244 Q C 1.713 177.748 176.000 0.058 0.000 0.980 244 Q CA 3.430 59.279 55.803 0.076 0.000 0.862 244 Q CB -0.611 28.158 28.738 0.051 0.000 0.905 244 Q HN 0.544 8.873 8.270 0.098 0.000 0.429 245 D N -2.004 118.410 120.400 0.023 0.000 2.097 245 D HA -0.247 4.381 4.640 -0.019 0.000 0.197 245 D C 2.208 178.498 176.300 -0.016 0.000 0.984 245 D CA 3.322 57.298 54.000 -0.041 0.000 0.826 245 D CB 0.006 40.724 40.800 -0.136 0.000 0.973 245 D HN -0.327 8.041 8.370 0.024 0.016 0.460 246 H N 0.464 119.556 119.070 0.037 0.000 2.353 246 H HA -0.265 4.308 4.556 0.028 0.000 0.300 246 H C 2.744 178.101 175.328 0.048 0.000 1.090 246 H CA 3.465 59.539 56.048 0.043 0.000 1.327 246 H CB 0.135 29.938 29.762 0.068 0.000 1.383 246 H HN -0.622 7.701 8.280 0.072 0.000 0.508 247 V N -0.548 119.477 119.914 0.184 0.000 2.282 247 V HA -0.558 3.628 4.120 0.111 0.000 0.249 247 V C 1.360 177.499 176.094 0.076 0.000 1.057 247 V CA 4.552 66.918 62.300 0.110 0.000 1.032 247 V CB -0.907 30.968 31.823 0.086 0.000 0.645 247 V HN 0.141 8.455 8.190 0.206 0.000 0.447 248 D N -0.680 119.757 120.400 0.062 0.000 2.149 248 D HA -0.283 4.378 4.640 0.034 0.000 0.198 248 D C 2.712 179.041 176.300 0.047 0.000 0.990 248 D CA 3.488 57.514 54.000 0.042 0.000 0.839 248 D CB 0.297 41.115 40.800 0.030 0.000 0.948 248 D HN -0.420 7.989 8.370 0.066 0.000 0.460 249 I N -0.949 119.656 120.570 0.057 0.000 2.315 249 I HA -0.387 3.835 4.170 0.086 0.000 0.248 249 I C 1.797 177.956 176.117 0.071 0.000 1.117 249 I CA 2.919 64.258 61.300 0.064 0.000 1.404 249 I CB 0.087 38.098 38.000 0.020 0.000 1.071 249 I HN -0.637 7.520 8.210 0.062 0.090 0.419 250 L N -3.560 117.697 121.223 0.057 0.000 2.362 250 L HA -0.277 4.060 4.340 -0.005 0.000 0.219 250 L C 1.863 178.676 176.870 -0.095 0.000 1.134 250 L CA 1.324 56.161 54.840 -0.005 0.000 0.807 250 L CB -0.536 41.555 42.059 0.053 0.000 0.927 250 L HN -0.309 7.969 8.230 0.081 0.000 0.447 251 G N -0.254 108.525 108.800 -0.035 0.000 2.703 251 G HA2 -0.321 3.611 3.960 -0.046 0.000 0.222 251 G HA3 -0.321 3.704 3.960 -0.014 -0.073 0.222 251 G C -1.663 173.185 174.900 -0.087 0.000 1.183 251 G CA 3.479 48.551 45.100 -0.046 0.000 0.775 251 G HN -0.198 7.906 8.290 0.010 0.191 0.615 252 P HA -0.245 4.132 4.420 -0.073 0.000 0.215 252 P C 1.388 178.596 177.300 -0.154 0.000 1.153 252 P CA 2.648 65.696 63.100 -0.088 0.000 0.853 252 P CB -0.281 31.383 31.700 -0.060 0.000 0.788 253 L N -3.236 117.839 121.223 -0.248 0.000 2.056 253 L HA -0.429 3.759 4.340 -0.253 0.000 0.207 253 L C 2.098 178.642 176.870 -0.544 0.000 1.078 253 L CA 3.036 57.628 54.840 -0.414 0.000 0.749 253 L CB -0.682 41.009 42.059 -0.614 0.000 0.901 253 L HN -0.272 7.830 8.230 -0.214 0.000 0.433 254 S N -0.094 115.234 115.700 -0.620 0.000 2.370 254 S HA -0.389 4.060 4.470 -0.208 -0.104 0.226 254 S C 2.300 176.837 174.600 -0.104 0.000 1.033 254 S CA 3.146 61.165 58.200 -0.301 0.000 1.011 254 S CB -0.063 63.051 63.200 -0.142 0.000 0.852 254 S HN -0.189 7.772 8.310 -0.582 0.000 0.457 255 A N 0.663 123.419 122.820 -0.107 0.000 1.902 255 A HA -0.252 4.045 4.320 -0.039 0.000 0.217 255 A C 1.836 179.388 177.584 -0.054 0.000 1.181 255 A CA 2.606 54.606 52.037 -0.061 0.000 0.623 255 A CB -0.767 18.200 19.000 -0.055 0.000 0.818 255 A HN 0.060 8.127 8.150 -0.138 0.000 0.443 256 Q N -3.295 116.459 119.800 -0.076 0.000 2.124 256 Q HA -0.266 4.045 4.340 -0.049 0.000 0.202 256 Q C 2.325 178.306 176.000 -0.032 0.000 0.977 256 Q CA 2.486 58.254 55.803 -0.058 0.000 0.850 256 Q CB 0.478 29.170 28.738 -0.075 0.000 0.901 256 Q HN -0.198 7.930 8.270 -0.111 0.075 0.429 257 T N -6.228 108.319 114.554 -0.011 0.000 3.051 257 T HA 0.028 4.385 4.350 0.011 0.000 0.255 257 T C 1.210 175.924 174.700 0.024 0.000 1.085 257 T CA 0.304 62.423 62.100 0.032 0.000 1.109 257 T CB 1.299 70.248 68.868 0.135 0.000 0.921 257 T HN -0.244 7.955 8.240 -0.035 0.020 0.488 258 G N 2.432 111.243 108.800 0.018 0.000 2.143 258 G HA2 -0.336 3.625 3.960 0.002 0.000 0.248 258 G HA3 -0.336 3.622 3.960 -0.002 0.000 0.248 258 G C -0.868 174.048 174.900 0.026 0.000 0.991 258 G CA 0.314 45.420 45.100 0.010 0.000 0.689 258 G HN -0.227 8.067 8.290 0.007 0.000 0.522 259 I N 2.407 123.024 120.570 0.079 0.000 2.355 259 I HA 0.078 4.266 4.170 0.029 0.000 0.288 259 I C -1.201 175.000 176.117 0.140 0.000 0.999 259 I CA -1.240 60.114 61.300 0.089 0.000 1.163 259 I CB 1.102 39.156 38.000 0.090 0.000 1.316 259 I HN -0.822 7.417 8.210 0.119 0.043 0.454 260 A N 8.621 131.484 122.820 0.072 0.000 2.466 260 A HA -0.072 4.293 4.320 0.075 0.000 0.238 260 A C 1.011 178.658 177.584 0.105 0.000 1.074 260 A CA 0.257 52.337 52.037 0.072 0.000 0.774 260 A CB 0.383 19.401 19.000 0.029 0.000 1.015 260 A HN 0.512 8.682 8.150 0.034 0.000 0.498 261 V N 2.225 122.205 119.914 0.110 0.000 2.392 261 V HA -0.378 3.853 4.120 0.185 0.000 0.249 261 V C 2.210 178.276 176.094 -0.047 0.000 1.059 261 V CA 3.293 65.646 62.300 0.088 0.000 1.051 261 V CB -0.549 31.321 31.823 0.079 0.000 0.658 261 V HN 0.516 8.757 8.190 0.086 0.000 0.455 262 L N -3.585 117.613 121.223 -0.042 0.000 2.191 262 L HA -0.295 3.961 4.340 -0.140 0.000 0.212 262 L C 1.836 178.657 176.870 -0.081 0.000 1.103 262 L CA 2.783 57.576 54.840 -0.078 0.000 0.769 262 L CB -1.317 40.729 42.059 -0.022 0.000 0.908 262 L HN -0.083 8.136 8.230 -0.004 0.009 0.438 263 D N 0.849 121.218 120.400 -0.052 0.000 2.137 263 D HA -0.123 4.733 4.640 -0.026 -0.231 0.202 263 D C 2.080 178.318 176.300 -0.102 0.000 0.970 263 D CA 2.790 56.758 54.000 -0.053 0.000 0.837 263 D CB 0.523 41.299 40.800 -0.040 0.000 0.981 263 D HN -0.501 7.729 8.370 -0.027 0.124 0.475 264 M N 1.305 120.814 119.600 -0.152 0.000 2.159 264 M HA -0.272 4.074 4.480 -0.223 0.000 0.263 264 M C 2.100 178.247 176.300 -0.254 0.000 1.063 264 M CA 2.358 57.513 55.300 -0.242 0.000 1.110 264 M CB -0.423 31.934 32.600 -0.404 0.000 1.374 264 M HN -0.272 7.890 8.290 -0.104 0.066 0.411 265 C N -1.162 117.909 119.300 -0.382 0.000 2.413 265 C HA -0.531 3.266 4.460 -1.106 0.000 0.276 265 C C 1.574 176.408 174.990 -0.261 0.000 1.236 265 C CA 5.133 63.702 59.018 -0.749 0.000 1.735 265 C CB -0.512 26.613 27.740 -1.025 0.000 2.031 265 C HN 0.590 8.521 8.230 -0.320 0.108 0.474 266 A N -1.140 121.611 122.820 -0.115 0.000 1.933 266 A HA -0.303 4.055 4.320 0.062 0.000 0.218 266 A C 1.431 179.035 177.584 0.033 0.000 1.175 266 A CA 3.015 55.064 52.037 0.020 0.000 0.628 266 A CB -0.887 18.157 19.000 0.074 0.000 0.814 266 A HN -0.417 7.577 8.150 -0.138 0.073 0.444 267 A N -0.504 122.311 122.820 -0.009 0.000 1.877 267 A HA -0.254 4.081 4.320 0.025 0.000 0.216 267 A C 1.652 179.229 177.584 -0.013 0.000 1.186 267 A CA 2.890 54.929 52.037 0.003 0.000 0.620 267 A CB -0.568 18.442 19.000 0.016 0.000 0.822 267 A HN 0.068 8.189 8.150 -0.049 0.000 0.443 268 L N -1.778 119.435 121.223 -0.016 0.000 2.083 268 L HA -0.369 3.953 4.340 -0.030 0.000 0.209 268 L C 1.820 178.724 176.870 0.057 0.000 1.083 268 L CA 2.503 57.364 54.840 0.034 0.000 0.752 268 L CB -0.885 41.258 42.059 0.139 0.000 0.899 268 L HN 0.175 8.308 8.230 -0.052 0.066 0.433 269 K N -1.326 119.146 120.400 0.121 0.000 2.063 269 K HA -0.469 3.866 4.320 0.025 0.000 0.208 269 K C 2.386 178.985 176.600 -0.001 0.000 1.048 269 K CA 4.135 60.463 56.287 0.068 0.000 0.928 269 K CB -0.356 32.210 32.500 0.110 0.000 0.713 269 K HN 0.375 8.537 8.250 0.151 0.178 0.442 270 E N -0.699 119.513 120.200 0.020 0.000 2.051 270 E HA -0.316 4.053 4.350 0.031 0.000 0.192 270 E C 2.472 179.078 176.600 0.010 0.000 0.991 270 E CA 3.080 59.498 56.400 0.029 0.000 0.799 270 E CB -0.187 29.552 29.700 0.064 0.000 0.748 270 E HN -0.645 7.654 8.360 0.036 0.082 0.449 271 L N -1.629 119.585 121.223 -0.015 0.000 2.131 271 L HA -0.235 4.134 4.340 0.049 0.000 0.210 271 L C 2.888 179.696 176.870 -0.104 0.000 1.092 271 L CA 2.656 57.485 54.840 -0.018 0.000 0.759 271 L CB -0.931 41.107 42.059 -0.036 0.000 0.903 271 L HN -0.458 7.757 8.230 -0.024 0.000 0.435 272 L N -1.247 119.841 121.223 -0.227 0.000 2.023 272 L HA -0.416 3.578 4.340 -0.578 0.000 0.205 272 L C 1.820 178.418 176.870 -0.453 0.000 1.073 272 L CA 2.732 57.246 54.840 -0.544 0.000 0.745 272 L CB -0.357 41.228 42.059 -0.790 0.000 0.900 272 L HN 0.106 8.131 8.230 -0.170 0.103 0.435 273 Q N -3.876 115.799 119.800 -0.209 0.000 2.170 273 Q HA -0.274 4.068 4.340 0.003 0.000 0.203 273 Q C 1.825 177.818 176.000 -0.011 0.000 0.976 273 Q CA 2.373 58.146 55.803 -0.050 0.000 0.858 273 Q CB 0.390 29.130 28.738 0.003 0.000 0.907 273 Q HN -0.330 7.842 8.270 -0.164 0.000 0.433 274 N N -4.322 114.375 118.700 -0.006 0.000 2.356 274 N HA 0.099 4.865 4.740 0.043 0.000 0.178 274 N C 0.055 175.586 175.510 0.036 0.000 1.075 274 N CA 0.683 53.756 53.050 0.038 0.000 0.889 274 N CB 1.437 39.974 38.487 0.084 0.000 0.999 274 N HN -0.157 8.185 8.380 -0.026 0.022 0.464 275 G N -0.307 108.492 108.800 -0.002 0.000 2.314 275 G HA2 -0.367 3.608 3.960 -0.033 0.000 0.292 275 G HA3 -0.367 3.607 3.960 0.024 0.000 0.292 275 G C 0.160 175.099 174.900 0.064 0.000 1.059 275 G CA 0.723 45.829 45.100 0.009 0.000 0.982 275 G HN -0.075 8.020 8.290 -0.057 0.161 0.505 276 M N -2.670 116.998 119.600 0.112 0.000 2.868 276 M HA -0.697 3.971 4.480 0.313 0.000 0.169 276 M C -0.314 176.102 176.300 0.193 0.000 0.664 276 M CA 2.687 58.112 55.300 0.208 0.000 0.646 276 M CB -0.677 32.042 32.600 0.197 0.000 2.344 276 M HN -0.046 8.194 8.290 0.087 0.102 0.274 277 N N -0.898 117.873 118.700 0.118 0.000 2.922 277 N HA -0.425 4.409 4.740 0.059 -0.059 0.224 277 N C 0.341 175.873 175.510 0.037 0.000 0.833 277 N CA 2.366 55.460 53.050 0.074 0.000 1.103 277 N CB -0.652 37.886 38.487 0.084 0.000 1.000 277 N HN 0.205 8.450 8.380 0.096 0.193 0.621 278 G N -2.130 106.694 108.800 0.040 0.000 2.624 278 G HA2 -0.317 3.660 3.960 0.028 0.000 0.190 278 G HA3 -0.317 3.637 3.960 -0.010 0.000 0.190 278 G C -0.725 174.162 174.900 -0.021 0.000 1.008 278 G CA -0.340 44.766 45.100 0.010 0.000 0.731 278 G HN 0.161 8.366 8.290 0.081 0.134 0.478 279 R N 1.471 121.918 120.500 -0.088 0.000 2.590 279 R HA 0.017 4.226 4.340 -0.219 0.000 0.274 279 R C -0.632 175.705 176.300 0.062 0.000 1.061 279 R CA 0.352 56.338 56.100 -0.191 0.000 1.081 279 R CB 0.627 30.527 30.300 -0.667 0.000 0.984 279 R HN -0.385 7.827 8.270 -0.096 0.000 0.448 280 T N -3.204 111.407 114.554 0.096 0.000 2.847 280 T HA 0.194 4.782 4.350 0.250 -0.089 0.279 280 T C -1.258 173.702 174.700 0.434 0.000 0.984 280 T CA -1.458 60.783 62.100 0.235 0.000 0.988 280 T CB 1.955 70.915 68.868 0.153 0.000 1.040 280 T HN -0.103 8.132 8.240 -0.008 0.000 0.528 281 I N -0.193 120.606 120.570 0.381 0.000 2.533 281 I HA 0.456 5.023 4.170 0.348 -0.188 0.290 281 I C 0.220 176.430 176.117 0.156 0.000 1.056 281 I CA -1.124 60.318 61.300 0.236 0.000 1.057 281 I CB 3.474 41.407 38.000 -0.112 0.000 1.240 281 I HN 0.067 8.500 8.210 0.371 0.000 0.423 282 L N 5.026 126.277 121.223 0.048 0.000 3.858 282 L HA -0.382 3.976 4.340 0.030 0.000 0.425 282 L C 0.197 177.155 176.870 0.147 0.000 1.177 282 L CA 1.272 56.150 54.840 0.064 0.000 0.943 282 L CB -1.482 40.594 42.059 0.028 0.000 1.861 282 L HN 0.750 9.292 8.230 0.039 -0.289 0.985 283 G N -4.259 104.632 108.800 0.151 0.000 2.196 283 G HA2 -0.403 3.629 3.960 0.120 0.000 0.268 283 G HA3 -0.403 3.624 3.960 0.112 0.000 0.268 283 G C -0.186 174.811 174.900 0.163 0.000 0.975 283 G CA 0.360 45.542 45.100 0.137 0.000 0.648 283 G HN 0.527 8.892 8.290 0.157 0.019 0.538 284 S N 0.297 116.137 115.700 0.235 0.000 2.616 284 S HA 0.213 4.787 4.470 0.172 0.000 0.277 284 S C 0.234 174.971 174.600 0.228 0.000 1.234 284 S CA -0.934 57.409 58.200 0.239 0.000 1.028 284 S CB 1.600 65.001 63.200 0.336 0.000 0.988 284 S HN -0.132 8.144 8.310 0.283 0.203 0.522 285 T N -1.563 113.083 114.554 0.153 0.000 3.105 285 T HA 0.056 4.492 4.350 0.143 0.000 0.253 285 T C -0.862 173.900 174.700 0.104 0.000 1.047 285 T CA -0.324 61.849 62.100 0.123 0.000 0.944 285 T CB -0.075 68.840 68.868 0.079 0.000 1.016 285 T HN 0.337 8.649 8.240 0.121 0.000 0.544 286 I N -4.314 116.311 120.570 0.092 0.000 3.102 286 I HA 0.245 4.434 4.170 0.032 0.000 0.310 286 I C -1.609 174.434 176.117 -0.123 0.000 1.246 286 I CA -2.604 58.697 61.300 0.002 0.000 0.979 286 I CB 3.472 41.440 38.000 -0.053 0.000 1.267 286 I HN -0.852 7.356 8.210 0.130 0.080 0.451 287 L N 2.419 123.511 121.223 -0.219 0.000 2.407 287 L HA -0.001 3.774 4.340 -0.943 0.000 0.282 287 L C -0.527 175.845 176.870 -0.829 0.000 1.110 287 L CA -0.274 54.233 54.840 -0.554 0.000 0.863 287 L CB -0.604 41.370 42.059 -0.141 0.000 1.207 287 L HN 0.095 8.262 8.230 -0.105 0.000 0.454 288 E N 2.702 121.953 120.200 -1.582 0.000 2.319 288 E HA 0.090 4.074 4.350 -0.610 0.000 0.268 288 E C -0.859 175.326 176.600 -0.692 0.000 1.050 288 E CA -0.650 55.138 56.400 -1.019 0.000 0.878 288 E CB 1.676 30.735 29.700 -1.067 0.000 1.066 288 E HN 0.035 6.490 8.360 -3.175 0.000 0.406 289 D N -1.791 118.374 120.400 -0.391 0.000 2.636 289 D HA 0.007 4.570 4.640 -0.129 0.000 0.270 289 D C -0.262 175.909 176.300 -0.215 0.000 1.430 289 D CA 0.180 54.044 54.000 -0.227 0.000 0.796 289 D CB 0.440 41.098 40.800 -0.237 0.000 1.117 289 D HN 0.181 8.322 8.370 -0.383 0.000 0.480 290 E N -1.891 118.091 120.200 -0.364 0.000 2.465 290 E HA -0.060 4.083 4.350 -0.345 0.000 0.191 290 E C -0.965 175.258 176.600 -0.628 0.000 1.053 290 E CA 0.275 56.349 56.400 -0.543 0.000 0.869 290 E CB 0.026 29.287 29.700 -0.732 0.000 0.977 290 E HN 0.087 8.212 8.360 -0.393 0.000 0.483 291 F N -0.466 119.500 119.950 0.027 0.000 2.496 291 F HA 0.225 4.790 4.527 0.063 0.000 0.341 291 F C -1.126 174.718 175.800 0.074 0.000 1.134 291 F CA -2.288 55.757 58.000 0.075 0.000 0.968 291 F CB 1.564 40.648 39.000 0.141 0.000 1.205 291 F HN -0.810 7.402 8.300 -0.013 0.081 0.436 292 T N 0.263 114.920 114.554 0.172 0.000 2.900 292 T HA 0.257 4.863 4.350 0.082 -0.207 0.307 292 T C -0.280 174.511 174.700 0.152 0.000 1.065 292 T CA -2.328 59.832 62.100 0.101 0.000 1.105 292 T CB -0.538 68.328 68.868 -0.003 0.000 0.979 292 T HN 0.293 8.617 8.240 0.140 0.000 0.544 293 P HA -0.231 4.283 4.420 0.158 0.000 0.216 293 P C 0.928 178.384 177.300 0.260 0.000 1.153 293 P CA 2.632 65.827 63.100 0.158 0.000 0.858 293 P CB -0.175 31.597 31.700 0.120 0.000 0.789 294 F N -5.330 114.645 119.950 0.042 0.000 2.161 294 F HA -0.334 4.194 4.527 0.002 0.000 0.300 294 F C 1.937 177.755 175.800 0.030 0.000 1.089 294 F CA 2.582 60.597 58.000 0.024 0.000 1.282 294 F CB -0.701 38.318 39.000 0.033 0.000 1.010 294 F HN -0.118 8.286 8.300 0.173 0.000 0.485 295 D N -0.215 120.361 120.400 0.293 0.000 2.123 295 D HA -0.191 4.553 4.640 0.173 0.000 0.200 295 D C 2.311 178.690 176.300 0.131 0.000 0.976 295 D CA 3.599 57.719 54.000 0.201 0.000 0.831 295 D CB 0.114 41.056 40.800 0.236 0.000 0.974 295 D HN -0.433 7.980 8.370 0.283 0.126 0.469 296 V N 0.518 120.509 119.914 0.128 0.000 2.407 296 V HA -0.382 3.742 4.120 0.007 0.000 0.248 296 V C 2.201 178.298 176.094 0.004 0.000 1.055 296 V CA 3.867 66.197 62.300 0.050 0.000 1.049 296 V CB -0.679 31.188 31.823 0.072 0.000 0.662 296 V HN -0.447 7.850 8.190 0.179 0.000 0.455 297 V N -0.200 119.722 119.914 0.013 0.000 2.255 297 V HA -0.426 3.646 4.120 -0.080 0.000 0.247 297 V C 2.971 178.995 176.094 -0.117 0.000 1.051 297 V CA 4.019 66.282 62.300 -0.060 0.000 1.018 297 V CB -0.971 30.814 31.823 -0.063 0.000 0.641 297 V HN 0.341 8.510 8.190 0.075 0.066 0.445 298 R N -0.465 119.985 120.500 -0.082 0.000 2.096 298 R HA -0.345 3.863 4.340 -0.220 0.000 0.235 298 R C 2.118 178.355 176.300 -0.106 0.000 1.127 298 R CA 3.606 59.635 56.100 -0.117 0.000 0.968 298 R CB -0.194 30.090 30.300 -0.027 0.000 0.861 298 R HN -0.227 7.965 8.270 -0.013 0.071 0.440 299 Q N -1.930 117.839 119.800 -0.052 0.000 2.234 299 Q HA -0.289 4.034 4.340 -0.028 0.000 0.206 299 Q C 2.059 178.012 176.000 -0.079 0.000 0.980 299 Q CA 2.822 58.596 55.803 -0.048 0.000 0.869 299 Q CB -0.496 28.218 28.738 -0.042 0.000 0.912 299 Q HN 0.265 8.522 8.270 -0.021 0.000 0.436 300 C N -2.408 116.824 119.300 -0.113 0.000 2.409 300 C HA -0.177 4.230 4.460 -0.089 0.000 0.288 300 C C 1.961 176.857 174.990 -0.156 0.000 1.395 300 C CA 2.026 60.968 59.018 -0.127 0.000 1.792 300 C CB -0.789 26.866 27.740 -0.142 0.000 1.847 300 C HN -0.349 7.698 8.230 -0.115 0.114 0.534 301 S N 0.098 115.665 115.700 -0.222 0.000 2.894 301 S HA -0.082 4.415 4.470 -0.280 -0.195 0.231 301 S C 1.174 175.771 174.600 -0.004 0.000 0.971 301 S CA 1.081 59.154 58.200 -0.212 0.000 1.005 301 S CB -1.494 61.503 63.200 -0.338 0.000 0.799 301 S HN -0.138 7.868 8.310 -0.231 0.165 0.527 302 G N 2.151 110.943 108.800 -0.013 0.000 3.325 302 G HA2 -0.125 3.852 3.960 0.029 0.000 0.242 302 G HA3 -0.125 3.835 3.960 0.001 0.000 0.242 302 G C -0.807 174.112 174.900 0.031 0.000 1.120 302 G CA 0.339 45.448 45.100 0.015 0.000 1.778 302 G HN -0.049 8.077 8.290 -0.048 0.135 0.610 303 V N -3.043 116.910 119.914 0.065 0.000 0.348 303 V HA -0.361 3.815 4.120 0.094 0.000 0.092 303 V C -0.088 176.055 176.094 0.083 0.000 2.864 303 V CA 1.556 63.899 62.300 0.073 0.000 3.876 303 V CB -0.797 31.052 31.823 0.043 0.000 1.120 303 V HN 0.106 8.241 8.190 0.094 0.112 1.180 304 T N 2.388 116.981 114.554 0.064 0.000 2.849 304 T HA 0.093 4.495 4.350 0.086 0.000 0.284 304 T C -2.009 172.774 174.700 0.137 0.000 1.004 304 T CA 0.373 62.517 62.100 0.073 0.000 1.021 304 T CB 1.222 70.102 68.868 0.020 0.000 1.013 304 T HN -0.188 7.992 8.240 0.039 0.083 0.527 305 F N 1.953 121.895 119.950 -0.014 0.000 3.152 305 F HA 0.090 4.606 4.527 -0.019 0.000 0.367 305 F C -1.536 174.251 175.800 -0.021 0.000 1.272 305 F CA -0.460 57.529 58.000 -0.018 0.000 1.172 305 F CB 2.316 41.306 39.000 -0.016 0.000 1.552 305 F HN 0.090 8.477 8.300 0.145 0.000 0.616 306 Q N 0.000 119.810 119.800 0.016 0.000 2.315 306 Q HA 0.000 4.069 4.340 -0.451 0.000 0.214 306 Q CA 0.000 55.687 55.803 -0.193 0.000 1.022 306 Q CB 0.000 28.651 28.738 -0.145 0.000 1.108 306 Q HN 0.000 8.305 8.270 0.059 0.000 0.481