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 2px9_1_A DATA FIRST_RESID 166 DATA SEQUENCE TQRTFPGCTI RNTPSEPIHC IVWAKYLFNQ LFGEEDADQE VSPDRADPEA DATA SEQUENCE AWEPTEAEAR ARASNEDGDI KRISTKEWAK STGYDPVKLF TKLFKDDIRY DATA SEQUENCE LLTMDKLWRK RKPPVPLDWA EVQSQGEETN ASDQQNEPQL GLKDQQVLDV DATA SEQUENCE KSYARLFSKS IETLRVHLAE KGDGAELIWD KDDPSAMDFV TSAANLRMHI DATA SEQUENCE FSMNMKSRFD IKSMAGN 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 166 T HA 0.000 4.345 4.350 -0.009 0.000 0.228 166 T C 0.000 174.682 174.700 -0.030 0.000 1.109 166 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 166 T CB 0.000 68.858 68.868 -0.017 0.000 0.612 167 Q N 2.237 122.018 119.800 -0.031 0.000 2.432 167 Q HA 0.049 4.361 4.340 -0.046 0.000 0.264 167 Q C -0.829 175.098 176.000 -0.122 0.000 1.035 167 Q CA -0.107 55.663 55.803 -0.055 0.000 0.908 167 Q CB 1.055 29.779 28.738 -0.023 0.000 1.280 167 Q HN 0.265 8.524 8.270 -0.017 0.000 0.455 168 R N -0.369 120.000 120.500 -0.218 0.000 2.357 168 R HA 0.247 4.458 4.340 -0.214 0.000 0.296 168 R C -0.673 175.283 176.300 -0.573 0.000 1.052 168 R CA -0.388 55.515 56.100 -0.328 0.000 0.988 168 R CB 0.733 30.841 30.300 -0.319 0.000 1.025 168 R HN 0.369 8.518 8.270 -0.201 0.000 0.469 169 T N 3.896 118.223 114.554 -0.378 0.000 2.918 169 T HA -0.024 4.172 4.350 -0.256 0.000 0.302 169 T C -0.809 173.625 174.700 -0.443 0.000 1.045 169 T CA 0.492 62.405 62.100 -0.312 0.000 1.114 169 T CB 0.552 69.355 68.868 -0.108 0.000 0.965 169 T HN 0.156 8.249 8.240 -0.245 0.000 0.540 170 F N 3.465 123.419 119.950 0.007 0.000 2.325 170 F HA 0.379 4.895 4.527 -0.018 0.000 0.369 170 F C -1.718 174.128 175.800 0.077 0.000 1.095 170 F CA -2.533 55.461 58.000 -0.010 0.000 1.082 170 F CB 0.122 39.053 39.000 -0.115 0.000 1.289 170 F HN 0.234 8.584 8.300 0.082 0.000 0.462 171 P HA 0.066 4.564 4.420 0.129 0.000 0.268 171 P C 0.567 177.986 177.300 0.199 0.000 1.204 171 P CA -0.462 62.739 63.100 0.168 0.000 0.768 171 P CB 0.683 32.458 31.700 0.124 0.000 0.842 172 G N 0.976 109.866 108.800 0.150 0.000 2.448 172 G HA2 -0.338 3.742 3.960 0.201 0.000 0.219 172 G HA3 -0.338 3.677 3.960 0.092 0.000 0.219 172 G C 1.268 176.250 174.900 0.137 0.000 1.127 172 G CA 1.767 46.954 45.100 0.145 0.000 0.766 172 G HN 0.665 9.023 8.290 0.112 0.000 0.552 173 C N 0.216 119.578 119.300 0.104 0.000 2.455 173 C HA -0.214 4.285 4.460 0.065 0.000 0.281 173 C C 1.753 176.790 174.990 0.078 0.000 1.237 173 C CA 3.307 62.369 59.018 0.073 0.000 1.726 173 C CB -0.436 27.330 27.740 0.043 0.000 2.068 173 C HN 0.127 8.386 8.230 0.096 0.029 0.466 174 T N -0.150 114.463 114.554 0.099 0.000 2.962 174 T HA -0.223 4.132 4.350 0.009 0.000 0.270 174 T C 1.252 176.033 174.700 0.136 0.000 1.088 174 T CA 2.917 65.066 62.100 0.082 0.000 1.127 174 T CB -0.461 68.463 68.868 0.093 0.000 0.883 174 T HN 0.025 8.334 8.240 0.115 0.000 0.493 175 I N -0.851 119.849 120.570 0.218 0.000 2.277 175 I HA -0.319 4.000 4.170 0.249 0.000 0.243 175 I C 1.376 177.626 176.117 0.220 0.000 1.094 175 I CA 1.728 63.182 61.300 0.256 0.000 1.393 175 I CB -0.667 37.535 38.000 0.337 0.000 1.078 175 I HN -0.631 7.567 8.210 0.218 0.142 0.417 176 R N -2.926 117.702 120.500 0.212 0.000 2.127 176 R HA -0.178 4.345 4.340 0.306 0.000 0.217 176 R C 2.294 178.655 176.300 0.102 0.000 1.074 176 R CA 2.866 59.088 56.100 0.204 0.000 0.991 176 R CB 0.643 31.059 30.300 0.192 0.000 0.895 176 R HN -0.005 8.276 8.270 0.193 0.105 0.450 177 N N -0.061 118.679 118.700 0.066 0.000 2.129 177 N HA -0.043 4.757 4.740 0.101 0.000 0.224 177 N C -0.725 174.812 175.510 0.045 0.000 1.039 177 N CA 2.151 55.234 53.050 0.055 0.000 1.101 177 N CB 1.082 39.561 38.487 -0.013 0.000 1.401 177 N HN 0.218 8.534 8.380 0.069 0.106 0.582 178 T N 0.102 114.629 114.554 -0.044 0.000 2.801 178 T HA 0.365 4.537 4.350 -0.297 0.000 0.306 178 T C -2.583 171.926 174.700 -0.318 0.000 1.020 178 T CA -1.979 60.019 62.100 -0.171 0.000 0.948 178 T CB 0.807 69.665 68.868 -0.018 0.000 0.962 178 T HN -0.027 8.183 8.240 -0.051 0.000 0.465 179 P HA 0.468 4.735 4.420 -0.348 -0.056 0.270 179 P C -0.329 176.706 177.300 -0.442 0.000 1.551 179 P CA -1.471 61.373 63.100 -0.426 0.000 1.049 179 P CB -0.291 31.200 31.700 -0.348 0.000 1.397 180 S N 0.791 116.271 115.700 -0.366 0.000 2.522 180 S HA -0.082 4.260 4.470 -0.213 0.000 0.227 180 S C -0.043 174.444 174.600 -0.189 0.000 0.986 180 S CA 1.099 59.154 58.200 -0.242 0.000 0.929 180 S CB 0.304 63.395 63.200 -0.181 0.000 0.769 180 S HN 0.054 8.126 8.310 -0.396 0.000 0.529 181 E N 1.557 121.622 120.200 -0.226 0.000 2.199 181 E HA 0.430 4.754 4.350 -0.043 0.000 0.269 181 E C -1.848 174.759 176.600 0.012 0.000 0.899 181 E CA -3.562 52.802 56.400 -0.060 0.000 0.772 181 E CB 1.103 30.832 29.700 0.048 0.000 1.155 181 E HN -0.604 7.471 8.360 -0.374 0.060 0.408 182 P HA -0.226 4.185 4.420 -0.014 0.000 0.216 182 P C 0.626 177.933 177.300 0.011 0.000 1.153 182 P CA 2.609 65.712 63.100 0.006 0.000 0.858 182 P CB 0.274 31.979 31.700 0.009 0.000 0.789 183 I N -4.747 115.847 120.570 0.040 0.000 2.423 183 I HA -0.400 3.726 4.170 -0.073 0.000 0.254 183 I C 0.843 176.857 176.117 -0.171 0.000 1.151 183 I CA 2.410 63.687 61.300 -0.039 0.000 1.421 183 I CB -0.121 37.894 38.000 0.025 0.000 1.079 183 I HN -0.197 8.050 8.210 0.077 0.010 0.431 184 H N -0.304 118.666 119.070 -0.166 0.000 2.395 184 H HA -0.133 4.204 4.556 -0.367 0.000 0.299 184 H C 2.096 177.343 175.328 -0.136 0.000 1.070 184 H CA 4.741 60.671 56.048 -0.197 0.000 1.356 184 H CB -0.547 29.160 29.762 -0.090 0.000 1.401 184 H HN 0.022 8.275 8.280 0.231 0.165 0.524 185 C N -0.838 118.473 119.300 0.018 0.000 2.435 185 C HA -0.384 4.102 4.460 0.043 0.000 0.279 185 C C 1.452 176.504 174.990 0.104 0.000 1.321 185 C CA 4.882 63.924 59.018 0.040 0.000 1.752 185 C CB -0.427 27.306 27.740 -0.012 0.000 1.959 185 C HN -0.542 7.604 8.230 0.019 0.096 0.500 186 I N 0.838 121.388 120.570 -0.034 0.000 2.286 186 I HA -0.388 3.765 4.170 -0.028 0.000 0.245 186 I C 1.894 177.872 176.117 -0.232 0.000 1.104 186 I CA 3.990 65.231 61.300 -0.099 0.000 1.397 186 I CB -0.021 37.899 38.000 -0.134 0.000 1.072 186 I HN -0.647 7.408 8.210 -0.069 0.114 0.417 187 V N 0.642 120.333 119.914 -0.372 0.000 2.407 187 V HA -0.556 3.152 4.120 -0.686 0.000 0.248 187 V C 1.551 177.360 176.094 -0.475 0.000 1.055 187 V CA 4.638 66.572 62.300 -0.610 0.000 1.049 187 V CB -0.212 31.055 31.823 -0.926 0.000 0.662 187 V HN -0.239 7.655 8.190 -0.372 0.073 0.455 188 W N 0.683 121.795 121.300 -0.312 0.000 2.358 188 W HA -0.434 4.230 4.660 0.008 0.000 0.303 188 W C 0.764 177.258 176.519 -0.042 0.000 1.208 188 W CA 4.462 61.752 57.345 -0.092 0.000 1.274 188 W CB -0.270 29.181 29.460 -0.015 0.000 1.138 188 W HN 0.050 8.252 8.180 0.052 0.009 0.515 189 A N -1.994 120.806 122.820 -0.033 0.000 1.969 189 A HA -0.385 3.678 4.320 -0.429 0.000 0.218 189 A C 2.040 179.510 177.584 -0.191 0.000 1.169 189 A CA 2.958 54.897 52.037 -0.163 0.000 0.635 189 A CB -0.923 18.105 19.000 0.046 0.000 0.810 189 A HN -0.361 7.798 8.150 0.171 0.093 0.445 190 K N -1.344 118.824 120.400 -0.386 0.000 2.057 190 K HA -0.339 3.528 4.320 -0.755 0.000 0.206 190 K C 2.353 178.813 176.600 -0.234 0.000 1.050 190 K CA 3.582 59.522 56.287 -0.579 0.000 0.935 190 K CB -0.009 31.990 32.500 -0.836 0.000 0.715 190 K HN -0.309 7.577 8.250 -0.406 0.121 0.439 191 Y N -1.937 118.249 120.300 -0.191 0.000 2.314 191 Y HA -0.172 4.343 4.550 -0.059 0.000 0.293 191 Y C 2.197 178.031 175.900 -0.111 0.000 1.129 191 Y CA 1.008 59.035 58.100 -0.123 0.000 1.201 191 Y CB -0.695 37.687 38.460 -0.130 0.000 0.999 191 Y HN -0.329 7.711 8.280 -0.401 0.000 0.541 192 L N 0.079 121.254 121.223 -0.081 0.000 2.012 192 L HA -0.390 3.860 4.340 -0.150 0.000 0.210 192 L C 1.031 178.042 176.870 0.236 0.000 1.073 192 L CA 3.342 58.134 54.840 -0.079 0.000 0.748 192 L CB -0.436 41.417 42.059 -0.342 0.000 0.891 192 L HN -0.274 7.713 8.230 -0.239 0.099 0.431 193 F N -2.620 117.479 119.950 0.248 0.000 2.102 193 F HA -0.409 4.226 4.527 0.181 0.000 0.298 193 F C 1.456 177.359 175.800 0.171 0.000 1.105 193 F CA 3.432 61.573 58.000 0.235 0.000 1.239 193 F CB 0.307 39.451 39.000 0.240 0.000 0.991 193 F HN -0.414 8.147 8.300 0.435 0.000 0.474 194 N N -0.695 118.245 118.700 0.399 0.000 2.120 194 N HA -0.312 4.635 4.740 0.346 0.000 0.188 194 N C 2.252 177.817 175.510 0.092 0.000 1.024 194 N CA 2.629 55.845 53.050 0.277 0.000 0.852 194 N CB -0.004 38.648 38.487 0.275 0.000 1.003 194 N HN -0.579 8.049 8.380 0.413 0.000 0.424 195 Q N -2.863 116.969 119.800 0.054 0.000 2.466 195 Q HA -0.095 4.242 4.340 -0.005 0.000 0.210 195 Q C -0.059 175.894 176.000 -0.079 0.000 0.961 195 Q CA 0.955 56.752 55.803 -0.010 0.000 0.953 195 Q CB -0.545 28.186 28.738 -0.011 0.000 1.011 195 Q HN 0.168 8.495 8.270 0.095 0.000 0.516 196 L N -3.587 117.524 121.223 -0.186 0.000 2.694 196 L HA 0.054 4.233 4.340 -0.270 0.000 0.228 196 L C 0.637 177.077 176.870 -0.717 0.000 1.048 196 L CA 1.622 56.194 54.840 -0.446 0.000 0.887 196 L CB 2.165 43.849 42.059 -0.625 0.000 1.265 196 L HN -0.361 7.568 8.230 -0.148 0.212 0.492 197 F N -5.930 113.824 119.950 -0.326 0.000 2.798 197 F HA 0.487 4.879 4.527 -0.225 0.000 0.328 197 F C -0.023 175.657 175.800 -0.201 0.000 1.098 197 F CA -0.377 57.400 58.000 -0.373 0.000 1.172 197 F CB 2.167 40.713 39.000 -0.756 0.000 1.072 197 F HN 0.673 8.754 8.300 -0.364 0.000 0.555 198 G N -0.810 108.008 108.800 0.030 0.000 3.407 198 G HA2 0.330 4.477 3.960 0.122 0.000 0.187 198 G HA3 0.330 4.615 3.960 0.194 -0.208 0.187 198 G C -2.001 172.948 174.900 0.080 0.000 1.262 198 G CA -0.977 44.191 45.100 0.114 0.000 0.808 198 G HN -0.419 7.759 8.290 -0.027 0.096 0.687 199 E N 1.495 121.754 120.200 0.100 0.000 2.289 199 E HA 0.001 4.383 4.350 0.053 0.000 0.278 199 E C -0.873 175.753 176.600 0.042 0.000 1.032 199 E CA -0.290 56.150 56.400 0.067 0.000 0.854 199 E CB 1.000 30.746 29.700 0.076 0.000 1.046 199 E HN 0.013 8.844 8.360 0.142 -0.386 0.409 200 E N 6.162 126.374 120.200 0.020 0.000 2.115 200 E HA 0.160 4.737 4.350 -0.003 -0.229 0.282 200 E C -1.094 175.501 176.600 -0.009 0.000 0.987 200 E CA -0.272 56.128 56.400 0.001 0.000 0.797 200 E CB 1.245 30.943 29.700 -0.003 0.000 1.086 200 E HN 0.271 8.644 8.360 0.021 0.000 0.397 201 D N 3.603 123.986 120.400 -0.028 0.000 2.384 201 D HA 0.106 4.730 4.640 -0.027 0.000 0.250 201 D C -0.376 175.897 176.300 -0.044 0.000 1.029 201 D CA -1.560 52.414 54.000 -0.043 0.000 0.990 201 D CB 2.387 43.140 40.800 -0.079 0.000 1.175 201 D HN -0.109 8.374 8.370 -0.036 -0.134 0.532 202 A N 0.156 122.952 122.820 -0.040 0.000 1.871 202 A HA -0.111 4.196 4.320 -0.022 0.000 0.211 202 A C 1.041 178.603 177.584 -0.036 0.000 1.207 202 A CA 1.925 53.945 52.037 -0.029 0.000 0.620 202 A CB 0.782 19.770 19.000 -0.019 0.000 0.860 202 A HN 0.171 8.297 8.150 -0.039 0.000 0.450 203 D N -0.626 119.744 120.400 -0.050 0.000 2.183 203 D HA -0.122 4.502 4.640 -0.026 0.000 0.205 203 D C 0.783 177.024 176.300 -0.099 0.000 0.962 203 D CA 1.857 55.826 54.000 -0.051 0.000 0.849 203 D CB 0.596 41.371 40.800 -0.041 0.000 0.978 203 D HN -0.374 8.126 8.370 -0.052 -0.160 0.488 204 Q N -1.487 118.204 119.800 -0.181 0.000 2.642 204 Q HA 0.045 4.146 4.340 -0.398 0.000 0.319 204 Q C -0.962 174.883 176.000 -0.258 0.000 1.030 204 Q CA -0.439 55.139 55.803 -0.374 0.000 0.943 204 Q CB -0.979 27.391 28.738 -0.614 0.000 1.323 204 Q HN -0.250 8.310 8.270 -0.152 -0.381 0.419 205 E N -0.488 119.645 120.200 -0.111 0.000 2.322 205 E HA -0.016 4.300 4.350 -0.057 0.000 0.257 205 E C -1.000 175.605 176.600 0.008 0.000 1.155 205 E CA -0.695 55.678 56.400 -0.044 0.000 0.936 205 E CB 1.694 31.388 29.700 -0.010 0.000 1.130 205 E HN -0.663 7.542 8.360 -0.082 0.105 0.465 206 V N -0.623 119.305 119.914 0.025 0.000 3.570 206 V HA 0.109 4.316 4.120 0.145 0.000 0.257 206 V C -0.302 175.888 176.094 0.160 0.000 1.272 206 V CA -1.088 61.258 62.300 0.077 0.000 1.079 206 V CB 1.672 33.446 31.823 -0.082 0.000 0.829 206 V HN 0.329 8.523 8.190 0.006 0.000 0.454 207 S N 2.462 118.211 115.700 0.082 0.000 2.585 207 S HA 0.211 4.722 4.470 0.068 0.000 0.273 207 S C -1.710 172.953 174.600 0.104 0.000 1.339 207 S CA -1.573 56.666 58.200 0.066 0.000 1.028 207 S CB -0.869 62.332 63.200 0.001 0.000 0.906 207 S HN -0.167 8.534 8.310 0.046 -0.364 0.528 208 P HA -0.000 4.515 4.420 0.159 0.000 0.271 208 P C -1.355 176.040 177.300 0.159 0.000 1.216 208 P CA -0.139 63.065 63.100 0.174 0.000 0.771 208 P CB 0.356 32.238 31.700 0.304 0.000 0.864 209 D N 2.787 123.268 120.400 0.135 0.000 2.389 209 D HA -0.083 4.615 4.640 0.097 0.000 0.247 209 D C 0.760 177.149 176.300 0.149 0.000 1.128 209 D CA 0.577 54.645 54.000 0.114 0.000 0.884 209 D CB 1.077 41.928 40.800 0.085 0.000 1.194 209 D HN 0.115 8.557 8.370 0.121 0.000 0.441 210 R N 4.484 125.061 120.500 0.128 0.000 2.280 210 R HA 0.091 4.545 4.340 0.190 0.000 0.195 210 R C 0.525 176.894 176.300 0.114 0.000 0.935 210 R CA 1.065 57.244 56.100 0.131 0.000 1.033 210 R CB 0.621 30.972 30.300 0.084 0.000 0.964 210 R HN 0.608 8.940 8.270 0.104 0.000 0.489 211 A N -0.589 122.312 122.820 0.134 0.000 2.532 211 A HA 0.214 4.653 4.320 0.199 0.000 0.273 211 A C -1.408 176.250 177.584 0.123 0.000 1.342 211 A CA -1.243 50.903 52.037 0.183 0.000 0.929 211 A CB -0.113 19.032 19.000 0.242 0.000 1.051 211 A HN -0.388 8.116 8.150 0.124 -0.280 0.521 212 D N 0.700 121.141 120.400 0.068 0.000 2.488 212 D HA -0.048 4.610 4.640 0.030 0.000 0.238 212 D C 0.242 176.548 176.300 0.010 0.000 1.138 212 D CA -1.202 52.813 54.000 0.024 0.000 0.873 212 D CB 1.505 42.294 40.800 -0.019 0.000 1.183 212 D HN -0.705 7.606 8.370 0.073 0.103 0.458 213 P HA -0.001 4.760 4.420 0.038 -0.318 0.218 213 P C 0.513 177.794 177.300 -0.032 0.000 1.146 213 P CA 1.926 65.028 63.100 0.004 0.000 0.813 213 P CB 0.267 31.964 31.700 -0.006 0.000 0.778 214 E N -5.001 115.163 120.200 -0.059 0.000 2.481 214 E HA 0.123 4.431 4.350 -0.069 0.000 0.198 214 E C -0.020 176.529 176.600 -0.085 0.000 1.027 214 E CA -0.748 55.605 56.400 -0.078 0.000 0.900 214 E CB 0.336 29.976 29.700 -0.101 0.000 0.993 214 E HN 0.171 8.876 8.360 -0.062 -0.382 0.482 215 A N -1.521 121.251 122.820 -0.080 0.000 2.011 215 A HA 0.097 4.370 4.320 -0.078 0.000 0.204 215 A C -0.511 176.983 177.584 -0.149 0.000 1.520 215 A CA 1.350 53.338 52.037 -0.082 0.000 0.819 215 A CB 1.721 20.701 19.000 -0.033 0.000 1.087 215 A HN 0.080 7.980 8.150 -0.063 0.212 0.526 216 A N -1.166 121.543 122.820 -0.183 0.000 2.185 216 A HA 0.289 4.292 4.320 -0.528 0.000 0.208 216 A C -0.427 176.900 177.584 -0.429 0.000 2.237 216 A CA -0.283 51.484 52.037 -0.451 0.000 1.587 216 A CB 0.778 19.447 19.000 -0.552 0.000 1.091 216 A HN 0.142 8.235 8.150 -0.095 0.000 0.449 217 W N -1.994 119.307 121.300 0.001 0.000 2.342 217 W HA 0.154 4.811 4.660 -0.005 0.000 0.530 217 W C 0.772 177.286 176.519 -0.008 0.000 1.880 217 W CA -0.639 56.704 57.345 -0.003 0.000 2.052 217 W CB 0.527 29.986 29.460 -0.002 0.000 2.206 217 W HN -0.338 7.915 8.180 0.121 0.000 0.741 218 E N -0.572 119.790 120.200 0.270 0.000 2.028 218 E HA -0.086 4.319 4.350 0.093 0.000 0.190 218 E C -1.812 174.855 176.600 0.111 0.000 0.984 218 E CA 2.229 58.708 56.400 0.132 0.000 0.800 218 E CB -1.486 28.269 29.700 0.092 0.000 0.758 218 E HN 0.195 8.759 8.360 0.340 0.000 0.448 219 P HA 0.144 4.686 4.420 0.204 0.000 0.300 219 P C -1.361 175.960 177.300 0.035 0.000 1.375 219 P CA -1.032 62.140 63.100 0.120 0.000 0.864 219 P CB 0.472 32.233 31.700 0.102 0.000 0.958 220 T N 3.534 118.106 114.554 0.030 0.000 2.766 220 T HA -0.095 4.257 4.350 0.004 0.000 0.295 220 T C 0.121 174.800 174.700 -0.036 0.000 1.024 220 T CA -0.362 61.739 62.100 0.001 0.000 1.018 220 T CB 1.374 70.250 68.868 0.013 0.000 1.002 220 T HN 0.546 9.320 8.240 0.065 -0.495 0.532 221 E N 3.261 123.442 120.200 -0.033 0.000 2.529 221 E HA -0.339 3.979 4.350 -0.053 0.000 0.259 221 E C -0.345 176.217 176.600 -0.064 0.000 0.966 221 E CA 1.678 58.050 56.400 -0.046 0.000 0.937 221 E CB 0.257 29.938 29.700 -0.032 0.000 0.923 221 E HN 0.148 8.496 8.360 -0.020 0.000 0.468 222 A N 2.114 124.882 122.820 -0.088 0.000 2.012 222 A HA -0.277 3.977 4.320 -0.110 0.000 0.504 222 A C -1.232 176.253 177.584 -0.165 0.000 0.596 222 A CA -0.124 51.849 52.037 -0.106 0.000 0.413 222 A CB -0.003 18.954 19.000 -0.071 0.000 2.918 222 A HN 0.103 8.201 8.150 -0.086 0.000 0.406 223 E N 0.816 120.868 120.200 -0.246 0.000 2.447 223 E HA -0.250 3.751 4.350 -0.581 0.000 0.259 223 E C -0.503 175.904 176.600 -0.321 0.000 1.196 223 E CA -0.028 56.110 56.400 -0.437 0.000 0.995 223 E CB 0.673 30.069 29.700 -0.506 0.000 0.974 223 E HN -0.048 8.184 8.360 -0.213 0.000 0.465 224 A N 0.555 123.126 122.820 -0.415 0.000 3.159 224 A HA 0.308 4.612 4.320 -0.027 0.000 0.330 224 A C -1.790 175.906 177.584 0.187 0.000 1.032 224 A CA -0.460 51.558 52.037 -0.031 0.000 0.841 224 A CB 0.335 19.424 19.000 0.148 0.000 1.093 224 A HN 0.507 8.100 8.150 -0.927 0.000 0.478 225 R N -0.379 120.164 120.500 0.073 0.000 2.781 225 R HA 0.360 4.850 4.340 0.250 0.000 0.269 225 R C -1.387 174.959 176.300 0.078 0.000 1.025 225 R CA -0.909 55.292 56.100 0.169 0.000 0.914 225 R CB 2.050 32.489 30.300 0.232 0.000 1.236 225 R HN -0.113 8.385 8.270 -0.033 -0.248 0.465 226 A N 1.216 124.087 122.820 0.085 0.000 2.988 226 A HA 0.262 4.603 4.320 0.036 0.000 0.288 226 A C -1.014 176.593 177.584 0.037 0.000 1.385 226 A CA -0.162 51.905 52.037 0.049 0.000 1.001 226 A CB -1.071 17.957 19.000 0.048 0.000 1.071 226 A HN 0.536 8.755 8.150 0.116 0.000 0.608 227 R N -1.606 118.911 120.500 0.028 0.000 2.855 227 R HA 0.165 4.515 4.340 0.017 0.000 0.266 227 R C -1.721 174.576 176.300 -0.006 0.000 1.034 227 R CA -1.322 54.788 56.100 0.016 0.000 0.944 227 R CB 3.190 33.507 30.300 0.029 0.000 1.219 227 R HN -0.824 7.369 8.270 0.023 0.090 0.474 228 A N -0.184 122.631 122.820 -0.008 0.000 2.491 228 A HA 0.049 4.357 4.320 -0.019 0.000 0.261 228 A C 0.709 178.273 177.584 -0.033 0.000 1.101 228 A CA 0.660 52.686 52.037 -0.018 0.000 0.772 228 A CB 0.237 19.229 19.000 -0.012 0.000 1.043 228 A HN 0.478 8.628 8.150 -0.001 0.000 0.501 229 S N 4.146 119.818 115.700 -0.047 0.000 2.428 229 S HA -0.279 4.227 4.470 -0.087 -0.088 0.230 229 S C 0.427 174.995 174.600 -0.053 0.000 1.014 229 S CA 2.357 60.516 58.200 -0.068 0.000 0.957 229 S CB 0.185 63.338 63.200 -0.077 0.000 0.784 229 S HN 0.618 8.903 8.310 -0.041 0.000 0.499 230 N N -1.626 117.051 118.700 -0.038 0.000 2.461 230 N HA -0.027 4.693 4.740 -0.033 0.000 0.188 230 N C -0.405 175.091 175.510 -0.023 0.000 1.134 230 N CA 0.126 53.158 53.050 -0.030 0.000 0.878 230 N CB -0.590 37.883 38.487 -0.023 0.000 0.972 230 N HN -0.107 8.228 8.380 -0.034 0.025 0.456 231 E N -0.202 119.984 120.200 -0.023 0.000 3.626 231 E HA 0.086 4.428 4.350 -0.013 0.000 0.245 231 E C -1.679 174.912 176.600 -0.014 0.000 1.236 231 E CA -0.965 55.426 56.400 -0.015 0.000 1.072 231 E CB 0.421 30.116 29.700 -0.009 0.000 1.309 231 E HN -0.712 7.419 8.360 -0.028 0.212 0.400 232 D N 1.181 121.569 120.400 -0.019 0.000 2.414 232 D HA -0.061 4.569 4.640 -0.018 0.000 0.242 232 D C 1.272 177.573 176.300 0.002 0.000 1.129 232 D CA 0.410 54.401 54.000 -0.015 0.000 0.885 232 D CB 1.242 42.026 40.800 -0.026 0.000 1.198 232 D HN -0.092 8.264 8.370 -0.023 0.000 0.437 233 G N 3.647 112.457 108.800 0.016 0.000 2.505 233 G HA2 -0.182 3.788 3.960 0.016 0.000 0.214 233 G HA3 -0.182 3.798 3.960 0.033 0.000 0.214 233 G C -0.192 174.721 174.900 0.022 0.000 1.237 233 G CA 0.923 46.036 45.100 0.023 0.000 0.802 233 G HN 0.178 8.481 8.290 0.022 0.000 0.549 234 D N -2.075 118.344 120.400 0.032 0.000 4.198 234 D HA 0.034 4.686 4.640 0.021 0.000 0.248 234 D C 0.288 176.615 176.300 0.045 0.000 1.482 234 D CA 0.087 54.104 54.000 0.029 0.000 0.784 234 D CB -0.141 40.672 40.800 0.021 0.000 1.375 234 D HN -0.169 8.229 8.370 0.046 0.000 0.821 235 I N -4.797 115.812 120.570 0.065 0.000 2.876 235 I HA 0.092 4.329 4.170 0.113 0.000 0.264 235 I C 0.084 176.251 176.117 0.084 0.000 1.204 235 I CA 1.565 62.930 61.300 0.108 0.000 1.485 235 I CB 0.661 38.776 38.000 0.190 0.000 1.103 235 I HN -0.631 7.998 8.210 0.053 -0.387 0.446 236 K N -2.318 118.110 120.400 0.046 0.000 2.860 236 K HA 0.250 4.596 4.320 0.044 0.000 0.204 236 K C -0.658 175.952 176.600 0.016 0.000 1.127 236 K CA -0.618 55.688 56.287 0.033 0.000 1.050 236 K CB 0.513 33.024 32.500 0.019 0.000 0.745 236 K HN -0.658 7.741 8.250 0.034 -0.128 0.459 237 R N -0.805 119.704 120.500 0.016 0.000 2.668 237 R HA 0.089 4.431 4.340 0.003 0.000 0.435 237 R C -1.515 174.789 176.300 0.006 0.000 1.059 237 R CA -0.247 55.857 56.100 0.007 0.000 1.073 237 R CB 0.304 30.607 30.300 0.005 0.000 1.401 237 R HN -0.494 7.790 8.270 0.023 0.000 0.590 238 I N -0.329 120.246 120.570 0.008 0.000 2.683 238 I HA -0.140 4.030 4.170 0.001 0.000 0.286 238 I C -1.102 175.014 176.117 -0.000 0.000 1.175 238 I CA 0.467 61.769 61.300 0.002 0.000 1.429 238 I CB 0.811 38.811 38.000 -0.000 0.000 1.371 238 I HN -0.348 7.870 8.210 0.014 0.000 0.569 239 S N 9.208 124.909 115.700 0.001 0.000 2.718 239 S HA 0.389 5.010 4.470 -0.002 -0.152 0.294 239 S C 0.133 174.742 174.600 0.015 0.000 1.157 239 S CA -1.323 56.879 58.200 0.003 0.000 1.121 239 S CB 0.936 64.138 63.200 0.003 0.000 1.015 239 S HN 0.227 8.539 8.310 0.003 0.000 0.479 240 T N 7.769 122.329 114.554 0.011 0.000 2.881 240 T HA -0.365 4.015 4.350 0.051 0.000 0.270 240 T C 1.195 175.922 174.700 0.045 0.000 1.068 240 T CA 3.973 66.095 62.100 0.036 0.000 1.131 240 T CB -0.168 68.711 68.868 0.018 0.000 0.871 240 T HN 0.808 9.474 8.240 0.000 -0.426 0.479 241 K N 0.485 120.879 120.400 -0.009 0.000 2.103 241 K HA -0.283 3.976 4.320 -0.101 0.000 0.207 241 K C 2.083 178.635 176.600 -0.080 0.000 1.048 241 K CA 2.821 59.071 56.287 -0.062 0.000 0.930 241 K CB -0.610 31.860 32.500 -0.051 0.000 0.716 241 K HN 0.155 8.372 8.250 -0.010 0.027 0.444 242 E N 0.225 120.413 120.200 -0.021 0.000 2.051 242 E HA -0.296 4.019 4.350 -0.059 0.000 0.192 242 E C 1.731 178.320 176.600 -0.018 0.000 0.991 242 E CA 3.270 59.658 56.400 -0.021 0.000 0.799 242 E CB -0.267 29.444 29.700 0.017 0.000 0.748 242 E HN -0.625 7.616 8.360 0.003 0.121 0.449 243 W N 0.243 121.461 121.300 -0.136 0.000 2.358 243 W HA -0.346 4.244 4.660 -0.117 0.000 0.303 243 W C 1.950 178.343 176.519 -0.209 0.000 1.208 243 W CA 4.101 61.365 57.345 -0.136 0.000 1.274 243 W CB 0.016 29.418 29.460 -0.096 0.000 1.138 243 W HN -0.691 7.614 8.180 0.208 0.000 0.515 244 A N -0.261 122.477 122.820 -0.137 0.000 1.902 244 A HA -0.281 3.775 4.320 -0.440 0.000 0.217 244 A C 1.667 178.700 177.584 -0.919 0.000 1.181 244 A CA 2.790 54.534 52.037 -0.488 0.000 0.623 244 A CB -0.760 17.994 19.000 -0.410 0.000 0.818 244 A HN 0.295 8.466 8.150 0.036 0.000 0.443 245 K N -2.059 117.906 120.400 -0.726 0.000 2.097 245 K HA -0.280 3.486 4.320 -0.923 0.000 0.205 245 K C 2.575 178.922 176.600 -0.421 0.000 1.050 245 K CA 2.432 58.349 56.287 -0.617 0.000 0.938 245 K CB -0.199 32.125 32.500 -0.293 0.000 0.718 245 K HN 0.111 8.076 8.250 -0.475 0.000 0.442 246 S N -0.732 114.743 115.700 -0.374 0.000 2.383 246 S HA -0.177 4.158 4.470 -0.226 0.000 0.227 246 S C 1.767 176.137 174.600 -0.385 0.000 1.026 246 S CA 3.201 61.212 58.200 -0.316 0.000 0.981 246 S CB -0.055 62.978 63.200 -0.279 0.000 0.818 246 S HN -0.106 7.895 8.310 -0.362 0.092 0.472 247 T N -2.892 111.325 114.554 -0.561 0.000 3.148 247 T HA 0.072 4.161 4.350 -0.436 0.000 0.253 247 T C 0.860 175.356 174.700 -0.340 0.000 1.134 247 T CA -0.055 61.730 62.100 -0.526 0.000 1.051 247 T CB 0.307 68.697 68.868 -0.797 0.000 0.959 247 T HN -0.398 7.352 8.240 -0.672 0.087 0.525 248 G N 0.013 108.616 108.800 -0.330 0.000 2.176 248 G HA2 -0.371 3.521 3.960 -0.113 0.000 0.252 248 G HA3 -0.371 3.536 3.960 -0.089 0.000 0.252 248 G C -0.660 174.237 174.900 -0.005 0.000 1.024 248 G CA 0.342 45.353 45.100 -0.148 0.000 0.755 248 G HN -0.597 7.239 8.290 -0.418 0.204 0.507 249 Y N -4.787 115.431 120.300 -0.137 0.000 3.018 249 Y HA -0.521 3.962 4.550 -0.112 0.000 0.181 249 Y C -1.736 174.128 175.900 -0.060 0.000 1.542 249 Y CA -0.117 57.932 58.100 -0.085 0.000 0.975 249 Y CB -2.963 35.496 38.460 -0.001 0.000 1.379 249 Y HN 0.227 8.134 8.280 -0.578 0.027 0.423 250 D N -0.110 120.276 120.400 -0.022 0.000 2.295 250 D HA 0.249 4.880 4.640 -0.015 0.000 0.248 250 D C -0.817 175.485 176.300 0.004 0.000 1.154 250 D CA -3.049 50.931 54.000 -0.034 0.000 0.857 250 D CB 1.864 42.603 40.800 -0.101 0.000 1.117 250 D HN -0.208 8.077 8.370 -0.142 0.000 0.468 251 P HA -0.258 4.200 4.420 0.063 0.000 0.215 251 P C 0.557 177.816 177.300 -0.068 0.000 1.157 251 P CA 2.229 65.305 63.100 -0.040 0.000 0.874 251 P CB 0.026 31.624 31.700 -0.170 0.000 0.790 252 V N -3.044 116.691 119.914 -0.298 0.000 2.261 252 V HA -0.440 3.314 4.120 -0.610 0.000 0.246 252 V C 2.484 178.621 176.094 0.072 0.000 1.047 252 V CA 4.178 66.265 62.300 -0.354 0.000 1.015 252 V CB -0.783 30.765 31.823 -0.459 0.000 0.642 252 V HN -0.629 7.449 8.190 -0.307 -0.072 0.446 253 K N 0.227 120.680 120.400 0.088 0.000 2.063 253 K HA -0.196 4.290 4.320 0.277 0.000 0.208 253 K C 2.945 179.814 176.600 0.448 0.000 1.048 253 K CA 2.746 59.177 56.287 0.239 0.000 0.928 253 K CB -0.281 32.245 32.500 0.042 0.000 0.713 253 K HN 0.113 8.790 8.250 -0.009 -0.433 0.442 254 L N -1.306 120.156 121.223 0.398 0.000 2.056 254 L HA -0.356 4.353 4.340 0.616 0.000 0.207 254 L C 1.693 178.875 176.870 0.520 0.000 1.078 254 L CA 2.945 58.088 54.840 0.506 0.000 0.749 254 L CB -0.060 42.275 42.059 0.460 0.000 0.901 254 L HN -0.080 8.304 8.230 0.257 0.000 0.433 255 F N 0.687 120.911 119.950 0.458 0.000 2.075 255 F HA -0.412 4.604 4.527 0.816 0.000 0.297 255 F C 1.282 177.341 175.800 0.432 0.000 1.113 255 F CA 4.132 62.477 58.000 0.575 0.000 1.218 255 F CB 0.444 39.746 39.000 0.503 0.000 0.984 255 F HN 0.367 8.934 8.300 0.621 0.105 0.472 256 T N -3.605 111.251 114.554 0.504 0.000 3.113 256 T HA -0.241 4.302 4.350 0.321 0.000 0.263 256 T C 1.251 176.047 174.700 0.160 0.000 1.143 256 T CA 2.250 64.550 62.100 0.334 0.000 1.090 256 T CB -0.335 68.742 68.868 0.349 0.000 0.922 256 T HN 0.339 8.912 8.240 0.555 0.000 0.521 257 K N 1.859 122.341 120.400 0.136 0.000 2.056 257 K HA -0.055 4.232 4.320 -0.055 0.000 0.205 257 K C 1.207 177.743 176.600 -0.106 0.000 1.035 257 K CA 2.830 59.104 56.287 -0.022 0.000 0.955 257 K CB 0.177 32.628 32.500 -0.082 0.000 0.769 257 K HN -0.900 7.295 8.250 0.236 0.197 0.447 258 L N -2.323 118.796 121.223 -0.174 0.000 2.109 258 L HA -0.107 4.364 4.340 -0.180 -0.239 0.207 258 L C 2.679 179.238 176.870 -0.518 0.000 1.086 258 L CA 2.888 57.516 54.840 -0.353 0.000 0.760 258 L CB 0.443 42.201 42.059 -0.502 0.000 0.910 258 L HN -0.288 7.886 8.230 -0.094 0.000 0.437 259 F N -6.692 113.139 119.950 -0.197 0.000 2.664 259 F HA 0.146 4.511 4.527 -0.270 0.000 0.303 259 F C 0.089 175.731 175.800 -0.263 0.000 1.092 259 F CA 0.111 57.899 58.000 -0.352 0.000 1.305 259 F CB -0.197 38.341 39.000 -0.769 0.000 1.054 259 F HN -0.124 7.948 8.300 -0.379 0.000 0.565 260 K N -0.901 119.479 120.400 -0.034 0.000 2.665 260 K HA 0.053 4.376 4.320 0.006 0.000 0.197 260 K C -0.619 175.983 176.600 0.003 0.000 1.463 260 K CA 2.363 58.658 56.287 0.014 0.000 1.107 260 K CB 1.673 34.231 32.500 0.096 0.000 1.584 260 K HN -0.845 7.307 8.250 -0.065 0.059 0.558 261 D N 0.033 120.428 120.400 -0.008 0.000 2.338 261 D HA 0.038 4.683 4.640 0.009 0.000 0.224 261 D C 2.000 178.301 176.300 0.002 0.000 0.967 261 D CA 2.989 56.983 54.000 -0.010 0.000 0.896 261 D CB 1.220 41.995 40.800 -0.042 0.000 1.028 261 D HN -0.578 7.682 8.370 -0.019 0.099 0.493 262 D N -0.161 120.224 120.400 -0.024 0.000 2.084 262 D HA -0.220 4.465 4.640 0.075 0.000 0.194 262 D C 2.448 178.786 176.300 0.064 0.000 0.990 262 D CA 3.577 57.594 54.000 0.029 0.000 0.826 262 D CB -0.113 40.683 40.800 -0.006 0.000 0.971 262 D HN 0.590 8.813 8.370 -0.063 0.109 0.453 263 I N -5.309 115.252 120.570 -0.014 0.000 2.614 263 I HA -0.353 3.823 4.170 0.009 0.000 0.258 263 I C 0.992 177.085 176.117 -0.038 0.000 1.189 263 I CA 2.672 63.944 61.300 -0.048 0.000 1.462 263 I CB -0.896 36.996 38.000 -0.180 0.000 1.092 263 I HN -0.591 7.587 8.210 -0.054 0.000 0.442 264 R N 0.008 120.504 120.500 -0.008 0.000 2.075 264 R HA -0.337 3.978 4.340 -0.042 0.000 0.232 264 R C 1.500 177.851 176.300 0.084 0.000 1.126 264 R CA 2.559 58.665 56.100 0.009 0.000 0.963 264 R CB -0.849 29.463 30.300 0.019 0.000 0.858 264 R HN -0.288 7.850 8.270 -0.003 0.129 0.435 265 Y N -0.390 119.906 120.300 -0.006 0.000 2.314 265 Y HA -0.168 4.388 4.550 0.010 0.000 0.293 265 Y C 2.078 178.013 175.900 0.059 0.000 1.129 265 Y CA 1.610 59.718 58.100 0.012 0.000 1.201 265 Y CB 0.104 38.557 38.460 -0.010 0.000 0.999 265 Y HN -0.310 8.000 8.280 0.199 0.089 0.541 266 L N 0.917 122.128 121.223 -0.020 0.000 2.201 266 L HA -0.303 3.933 4.340 -0.174 0.000 0.212 266 L C 1.273 178.278 176.870 0.226 0.000 1.105 266 L CA 2.430 57.281 54.840 0.019 0.000 0.775 266 L CB -0.251 41.916 42.059 0.180 0.000 0.913 266 L HN 0.195 8.371 8.230 0.094 0.110 0.440 267 L N -4.397 116.933 121.223 0.180 0.000 2.362 267 L HA -0.304 4.396 4.340 0.600 0.000 0.219 267 L C 0.983 178.010 176.870 0.261 0.000 1.134 267 L CA 1.900 56.898 54.840 0.265 0.000 0.807 267 L CB -0.767 41.272 42.059 -0.033 0.000 0.927 267 L HN -0.428 7.703 8.230 0.070 0.141 0.447 268 T N -0.314 114.276 114.554 0.060 0.000 2.881 268 T HA -0.285 4.084 4.350 0.032 0.000 0.270 268 T C 0.603 175.288 174.700 -0.025 0.000 1.068 268 T CA 2.717 64.811 62.100 -0.011 0.000 1.131 268 T CB 0.038 68.834 68.868 -0.120 0.000 0.871 268 T HN -0.762 7.292 8.240 -0.020 0.174 0.479 269 M N 1.113 120.680 119.600 -0.055 0.000 3.237 269 M HA 0.121 4.508 4.480 -0.155 0.000 0.266 269 M C -0.452 175.701 176.300 -0.246 0.000 1.456 269 M CA -3.382 51.815 55.300 -0.172 0.000 1.593 269 M CB -3.315 29.122 32.600 -0.272 0.000 1.129 269 M HN -0.580 7.555 8.290 -0.020 0.142 0.547 270 D N 4.111 124.463 120.400 -0.080 0.000 2.263 270 D HA -0.299 4.481 4.640 0.234 0.000 0.208 270 D C 1.332 177.527 176.300 -0.175 0.000 0.971 270 D CA 3.495 57.492 54.000 -0.005 0.000 0.867 270 D CB 0.286 41.119 40.800 0.056 0.000 0.929 270 D HN -0.209 8.102 8.370 -0.042 0.034 0.492 271 K N -1.643 118.618 120.400 -0.231 0.000 2.442 271 K HA -0.200 4.034 4.320 -0.144 0.000 0.198 271 K C 0.925 177.321 176.600 -0.340 0.000 1.042 271 K CA 1.719 57.875 56.287 -0.219 0.000 0.958 271 K CB -0.684 31.712 32.500 -0.175 0.000 0.766 271 K HN 0.130 8.208 8.250 -0.209 0.047 0.474 272 L N -3.874 116.949 121.223 -0.666 0.000 2.416 272 L HA -0.044 3.968 4.340 -0.547 0.000 0.216 272 L C 0.424 176.855 176.870 -0.731 0.000 1.098 272 L CA 0.853 55.147 54.840 -0.910 0.000 0.840 272 L CB 0.318 41.458 42.059 -1.533 0.000 0.981 272 L HN -0.408 7.167 8.230 -0.785 0.184 0.462 273 W N -1.150 120.140 121.300 -0.018 0.000 2.374 273 W HA 0.301 4.958 4.660 -0.005 0.000 0.302 273 W C -0.504 176.005 176.519 -0.018 0.000 0.942 273 W CA -1.333 56.004 57.345 -0.014 0.000 1.666 273 W CB -1.247 28.201 29.460 -0.020 0.000 1.593 273 W HN -0.481 7.153 8.180 -0.645 0.159 0.412 274 R N 1.987 122.554 120.500 0.111 0.000 2.531 274 R HA 0.111 4.497 4.340 0.076 0.000 0.316 274 R C -0.017 176.316 176.300 0.055 0.000 0.955 274 R CA 0.245 56.382 56.100 0.061 0.000 1.120 274 R CB 1.118 31.422 30.300 0.007 0.000 1.361 274 R HN 0.137 8.456 8.270 0.081 0.000 0.534 275 K N -1.908 118.537 120.400 0.076 0.000 2.948 275 K HA 0.013 4.360 4.320 0.044 0.000 0.182 275 K C -0.358 176.287 176.600 0.075 0.000 1.750 275 K CA 0.364 56.684 56.287 0.055 0.000 1.390 275 K CB 1.061 33.579 32.500 0.030 0.000 1.986 275 K HN -0.243 8.075 8.250 0.113 0.000 0.628 276 R N 2.097 122.668 120.500 0.117 0.000 2.357 276 R HA 0.035 4.430 4.340 0.091 0.000 0.296 276 R C -0.674 175.727 176.300 0.168 0.000 1.052 276 R CA -0.688 55.496 56.100 0.141 0.000 0.988 276 R CB 0.686 31.094 30.300 0.180 0.000 1.025 276 R HN -0.118 8.229 8.270 0.128 0.000 0.469 277 K N 5.495 125.949 120.400 0.090 0.000 2.436 277 K HA -0.032 4.288 4.320 -0.001 0.000 0.282 277 K C -1.108 175.458 176.600 -0.056 0.000 1.044 277 K CA -1.359 54.935 56.287 0.011 0.000 1.028 277 K CB 0.187 32.674 32.500 -0.022 0.000 0.919 277 K HN 0.265 8.558 8.250 0.073 0.000 0.474 278 P HA 0.213 3.971 4.420 -1.104 0.000 0.272 278 P C -2.367 174.505 177.300 -0.713 0.000 1.223 278 P CA -1.457 61.183 63.100 -0.766 0.000 0.784 278 P CB -0.756 30.395 31.700 -0.915 0.000 0.923 279 P HA 0.054 4.124 4.420 -0.907 -0.195 0.272 279 P C -0.869 176.062 177.300 -0.615 0.000 1.223 279 P CA -0.502 62.014 63.100 -0.973 0.000 0.784 279 P CB 1.288 32.139 31.700 -1.415 0.000 0.923 280 V N -3.581 116.059 119.914 -0.457 0.000 2.357 280 V HA 0.487 4.441 4.120 -0.277 0.000 0.284 280 V C -1.640 174.330 176.094 -0.208 0.000 1.018 280 V CA -4.151 57.978 62.300 -0.285 0.000 0.841 280 V CB 0.080 31.779 31.823 -0.208 0.000 0.991 280 V HN 0.104 8.005 8.190 -0.483 0.000 0.437 281 P HA -0.012 4.351 4.420 -0.095 0.000 0.268 281 P C -1.013 176.277 177.300 -0.017 0.000 1.205 281 P CA 0.029 63.079 63.100 -0.084 0.000 0.771 281 P CB 0.572 32.237 31.700 -0.059 0.000 0.858 282 L N 3.239 124.477 121.223 0.026 0.000 2.356 282 L HA 0.307 4.708 4.340 0.101 0.000 0.277 282 L C -1.240 175.768 176.870 0.229 0.000 0.996 282 L CA -1.158 53.750 54.840 0.112 0.000 0.822 282 L CB 2.625 44.760 42.059 0.128 0.000 1.256 282 L HN 0.578 8.810 8.230 0.004 0.000 0.413 283 D N 1.993 122.550 120.400 0.261 0.000 2.225 283 D HA 0.170 5.055 4.640 0.409 0.000 0.249 283 D C 0.260 176.851 176.300 0.484 0.000 1.052 283 D CA -1.533 52.682 54.000 0.357 0.000 0.909 283 D CB 3.435 44.367 40.800 0.220 0.000 1.186 283 D HN -0.335 8.406 8.370 0.183 -0.261 0.431 284 W N 4.482 126.011 121.300 0.382 0.000 2.342 284 W HA -0.473 4.122 4.660 -0.108 0.000 0.297 284 W C 0.123 176.662 176.519 0.035 0.000 1.213 284 W CA 3.174 60.588 57.345 0.115 0.000 1.251 284 W CB 0.163 29.684 29.460 0.102 0.000 1.136 284 W HN 0.605 9.229 8.180 0.740 0.000 0.526 285 A N -2.500 120.336 122.820 0.026 0.000 1.929 285 A HA -0.321 3.822 4.320 -0.295 0.000 0.216 285 A C 1.687 179.197 177.584 -0.124 0.000 1.176 285 A CA 3.005 54.973 52.037 -0.114 0.000 0.628 285 A CB -0.513 18.509 19.000 0.036 0.000 0.816 285 A HN 0.190 8.820 8.150 0.240 -0.336 0.444 286 E N -1.504 118.680 120.200 -0.027 0.000 2.107 286 E HA -0.320 4.012 4.350 -0.031 0.000 0.191 286 E C 1.754 178.316 176.600 -0.065 0.000 0.982 286 E CA 2.782 59.170 56.400 -0.020 0.000 0.809 286 E CB -0.137 29.587 29.700 0.040 0.000 0.756 286 E HN -0.364 7.938 8.360 0.052 0.089 0.459 287 V N -0.894 118.965 119.914 -0.092 0.000 2.548 287 V HA -0.232 3.842 4.120 -0.076 0.000 0.249 287 V C 1.863 177.791 176.094 -0.276 0.000 1.055 287 V CA 2.606 64.821 62.300 -0.141 0.000 1.065 287 V CB 0.004 31.772 31.823 -0.092 0.000 0.681 287 V HN -0.224 7.933 8.190 -0.054 0.000 0.462 288 Q N -0.990 118.548 119.800 -0.436 0.000 2.123 288 Q HA -0.206 3.867 4.340 -0.446 0.000 0.199 288 Q C 0.557 176.408 176.000 -0.249 0.000 0.966 288 Q CA 1.801 57.334 55.803 -0.451 0.000 0.845 288 Q CB 0.451 28.807 28.738 -0.636 0.000 0.907 288 Q HN -0.533 7.442 8.270 -0.491 0.000 0.439 289 S N -1.409 114.177 115.700 -0.190 0.000 3.208 289 S HA 0.063 4.468 4.470 -0.108 0.000 0.195 289 S C -1.434 173.115 174.600 -0.084 0.000 1.394 289 S CA -0.805 57.326 58.200 -0.114 0.000 1.127 289 S CB -1.070 62.079 63.200 -0.086 0.000 1.282 289 S HN -0.466 7.721 8.310 -0.206 0.000 0.513 290 Q N 3.605 123.352 119.800 -0.088 0.000 2.339 290 Q HA -0.241 4.068 4.340 -0.053 0.000 0.308 290 Q C 0.080 176.057 176.000 -0.038 0.000 1.097 290 Q CA 0.666 56.433 55.803 -0.060 0.000 1.007 290 Q CB -0.038 28.663 28.738 -0.062 0.000 1.051 290 Q HN -0.888 7.352 8.270 -0.110 -0.037 0.381 291 G N 3.457 112.243 108.800 -0.024 0.000 2.784 291 G HA2 0.147 4.096 3.960 -0.019 0.000 0.208 291 G HA3 0.147 4.099 3.960 -0.014 0.000 0.208 291 G C 0.017 174.912 174.900 -0.008 0.000 1.120 291 G CA -0.015 45.076 45.100 -0.016 0.000 0.774 291 G HN 0.537 8.816 8.290 -0.019 0.000 0.528 292 E N -1.090 119.110 120.200 0.000 0.000 2.106 292 E HA -0.163 4.190 4.350 0.005 0.000 0.192 292 E C -0.615 175.989 176.600 0.006 0.000 0.984 292 E CA 2.323 58.728 56.400 0.009 0.000 0.806 292 E CB 0.250 29.968 29.700 0.030 0.000 0.750 292 E HN 0.112 8.472 8.360 0.001 0.000 0.458 293 E N -2.735 117.465 120.200 0.000 0.000 2.404 293 E HA 0.205 4.555 4.350 -0.001 0.000 0.264 293 E C -1.529 175.064 176.600 -0.013 0.000 0.946 293 E CA -1.123 55.275 56.400 -0.003 0.000 0.806 293 E CB 2.058 31.758 29.700 -0.000 0.000 1.334 293 E HN -0.572 7.767 8.360 -0.004 0.018 0.429 294 T N 2.427 116.973 114.554 -0.014 0.000 2.769 294 T HA -0.138 4.202 4.350 -0.017 0.000 0.293 294 T C -0.021 174.663 174.700 -0.026 0.000 0.931 294 T CA 0.897 62.986 62.100 -0.018 0.000 1.139 294 T CB 0.303 69.162 68.868 -0.015 0.000 0.881 294 T HN 0.131 8.365 8.240 -0.010 0.000 0.532 295 N N 8.107 126.788 118.700 -0.030 0.000 3.103 295 N HA -0.116 4.596 4.740 -0.047 0.000 0.305 295 N C -0.862 174.626 175.510 -0.037 0.000 1.232 295 N CA -0.264 52.761 53.050 -0.041 0.000 1.190 295 N CB -0.994 37.465 38.487 -0.046 0.000 1.461 295 N HN 0.446 8.809 8.380 -0.027 0.000 0.538 296 A N 1.786 124.585 122.820 -0.034 0.000 2.529 296 A HA 0.284 4.588 4.320 -0.027 0.000 0.269 296 A C -0.532 177.032 177.584 -0.034 0.000 1.509 296 A CA -0.823 51.196 52.037 -0.030 0.000 0.857 296 A CB 1.691 20.676 19.000 -0.025 0.000 1.531 296 A HN -0.205 7.870 8.150 -0.034 0.054 0.541 297 S N -0.497 115.186 115.700 -0.029 0.000 2.546 297 S HA -0.179 4.274 4.470 -0.029 0.000 0.290 297 S C -0.230 174.348 174.600 -0.036 0.000 1.262 297 S CA 0.649 58.831 58.200 -0.029 0.000 1.083 297 S CB 0.441 63.627 63.200 -0.024 0.000 0.859 297 S HN 0.237 8.532 8.310 -0.025 0.000 0.495 298 D N 4.793 125.169 120.400 -0.040 0.000 2.224 298 D HA -0.214 4.392 4.640 -0.057 0.000 0.205 298 D C 0.670 176.945 176.300 -0.042 0.000 0.965 298 D CA 2.499 56.471 54.000 -0.048 0.000 0.852 298 D CB 0.400 41.171 40.800 -0.049 0.000 0.947 298 D HN 0.390 8.738 8.370 -0.037 0.000 0.494 299 Q N -2.097 117.684 119.800 -0.031 0.000 2.002 299 Q HA -0.179 4.146 4.340 -0.024 0.000 0.204 299 Q C 0.262 176.243 176.000 -0.031 0.000 0.988 299 Q CA 1.536 57.323 55.803 -0.026 0.000 0.843 299 Q CB 0.509 29.235 28.738 -0.019 0.000 0.908 299 Q HN -0.142 8.085 8.270 -0.028 0.026 0.420 300 Q N -2.626 117.157 119.800 -0.030 0.000 2.380 300 Q HA 0.159 4.477 4.340 -0.037 0.000 0.245 300 Q C -1.338 174.646 176.000 -0.027 0.000 0.893 300 Q CA 0.005 55.790 55.803 -0.030 0.000 0.922 300 Q CB 0.442 29.166 28.738 -0.024 0.000 1.432 300 Q HN -0.330 7.924 8.270 -0.027 0.000 0.434 301 N N 1.590 120.273 118.700 -0.029 0.000 2.474 301 N HA 0.032 4.759 4.740 -0.022 0.000 0.224 301 N C -0.519 174.979 175.510 -0.020 0.000 1.092 301 N CA 0.623 53.658 53.050 -0.025 0.000 0.844 301 N CB 1.185 39.655 38.487 -0.028 0.000 1.381 301 N HN 0.136 8.495 8.380 -0.035 0.000 0.458 302 E N 0.825 121.012 120.200 -0.021 0.000 2.046 302 E HA 0.343 4.686 4.350 -0.011 0.000 0.279 302 E C -2.150 174.442 176.600 -0.013 0.000 0.989 302 E CA -2.887 53.505 56.400 -0.014 0.000 0.798 302 E CB 0.697 30.390 29.700 -0.012 0.000 1.086 302 E HN -0.086 8.258 8.360 -0.027 0.000 0.399 303 P HA 0.051 4.464 4.420 -0.011 0.000 0.276 303 P C -0.941 176.355 177.300 -0.006 0.000 1.264 303 P CA -0.260 62.834 63.100 -0.009 0.000 0.769 303 P CB 0.511 32.206 31.700 -0.008 0.000 0.840 304 Q N 1.815 121.611 119.800 -0.007 0.000 2.544 304 Q HA 0.300 4.639 4.340 -0.003 0.000 0.291 304 Q C -1.579 174.416 176.000 -0.008 0.000 1.068 304 Q CA -1.164 54.636 55.803 -0.005 0.000 0.785 304 Q CB 2.656 31.393 28.738 -0.002 0.000 1.481 304 Q HN 0.305 8.569 8.270 -0.010 0.000 0.430 305 L N -0.317 120.901 121.223 -0.008 0.000 2.354 305 L HA 0.231 4.562 4.340 -0.015 0.000 0.264 305 L C -0.393 176.468 176.870 -0.016 0.000 1.008 305 L CA -0.118 54.715 54.840 -0.012 0.000 0.819 305 L CB 1.565 43.618 42.059 -0.010 0.000 1.339 305 L HN 0.229 8.457 8.230 -0.004 0.000 0.420 306 G N 0.953 109.738 108.800 -0.024 0.000 2.378 306 G HA2 -0.123 3.815 3.960 -0.036 0.000 0.198 306 G HA3 -0.123 3.819 3.960 -0.030 0.000 0.198 306 G C -1.509 173.359 174.900 -0.054 0.000 1.223 306 G CA -0.852 44.227 45.100 -0.035 0.000 1.088 306 G HN -0.159 8.116 8.290 -0.024 0.000 0.530 307 L N 2.732 123.906 121.223 -0.082 0.000 2.462 307 L HA -0.075 4.189 4.340 -0.127 0.000 0.272 307 L C 1.477 178.294 176.870 -0.088 0.000 1.166 307 L CA -0.067 54.695 54.840 -0.129 0.000 0.880 307 L CB 0.073 41.986 42.059 -0.244 0.000 1.142 307 L HN 0.231 8.415 8.230 -0.078 0.000 0.473 308 K N 3.605 123.960 120.400 -0.075 0.000 2.148 308 K HA -0.270 4.034 4.320 -0.028 0.000 0.204 308 K C 1.760 178.351 176.600 -0.016 0.000 1.050 308 K CA 2.757 59.021 56.287 -0.038 0.000 0.942 308 K CB -0.457 32.026 32.500 -0.029 0.000 0.724 308 K HN 0.437 8.635 8.250 -0.087 0.000 0.446 309 D N -2.149 118.230 120.400 -0.035 0.000 2.347 309 D HA -0.069 4.621 4.640 0.084 0.000 0.213 309 D C 0.518 176.879 176.300 0.102 0.000 0.985 309 D CA 2.201 56.232 54.000 0.051 0.000 0.879 309 D CB -0.153 40.700 40.800 0.088 0.000 0.919 309 D HN 0.373 8.662 8.370 -0.099 0.022 0.526 310 Q N -3.153 116.659 119.800 0.020 0.000 2.319 310 Q HA 0.100 4.536 4.340 0.160 0.000 0.202 310 Q C -0.690 175.352 176.000 0.069 0.000 0.896 310 Q CA -0.367 55.477 55.803 0.070 0.000 0.942 310 Q CB 0.767 29.509 28.738 0.006 0.000 1.083 310 Q HN -0.623 7.424 8.270 -0.049 0.193 0.510 311 Q N -0.005 119.827 119.800 0.052 0.000 2.314 311 Q HA 0.044 4.410 4.340 0.043 0.000 0.257 311 Q C -0.621 175.423 176.000 0.074 0.000 0.975 311 Q CA -1.686 54.144 55.803 0.045 0.000 0.933 311 Q CB -0.055 28.691 28.738 0.013 0.000 1.195 311 Q HN -0.762 7.354 8.270 0.042 0.179 0.426 312 V N 5.695 125.666 119.914 0.095 0.000 2.446 312 V HA -0.240 4.022 4.120 0.238 0.000 0.276 312 V C 0.389 176.537 176.094 0.089 0.000 1.030 312 V CA 0.919 63.311 62.300 0.153 0.000 1.033 312 V CB -0.339 31.575 31.823 0.152 0.000 0.993 312 V HN 0.282 8.520 8.190 0.080 0.000 0.477 313 L N 7.806 129.037 121.223 0.013 0.000 2.479 313 L HA -0.000 4.259 4.340 -0.134 0.000 0.249 313 L C -0.314 176.500 176.870 -0.093 0.000 1.178 313 L CA -0.603 54.105 54.840 -0.221 0.000 0.811 313 L CB 0.689 42.342 42.059 -0.677 0.000 1.187 313 L HN -0.323 7.972 8.230 0.109 0.000 0.480 314 D N -2.399 117.918 120.400 -0.138 0.000 2.466 314 D HA -0.006 4.654 4.640 0.034 0.000 0.262 314 D C 0.850 177.130 176.300 -0.033 0.000 1.177 314 D CA -1.244 52.731 54.000 -0.041 0.000 1.035 314 D CB 1.211 41.979 40.800 -0.054 0.000 1.105 314 D HN -0.461 7.794 8.370 -0.193 0.000 0.551 315 V N -0.493 119.376 119.914 -0.074 0.000 2.490 315 V HA -0.405 3.665 4.120 -0.084 0.000 0.250 315 V C 1.391 177.437 176.094 -0.080 0.000 1.061 315 V CA 3.624 65.833 62.300 -0.152 0.000 1.064 315 V CB 0.457 32.032 31.823 -0.414 0.000 0.670 315 V HN 0.461 8.601 8.190 -0.084 0.000 0.461 316 K N -0.625 119.714 120.400 -0.102 0.000 2.026 316 K HA -0.385 3.848 4.320 -0.146 0.000 0.208 316 K C 2.376 178.920 176.600 -0.093 0.000 1.048 316 K CA 3.900 60.116 56.287 -0.118 0.000 0.929 316 K CB -0.523 31.901 32.500 -0.127 0.000 0.713 316 K HN -0.663 7.590 8.250 -0.102 -0.064 0.439 317 S N 1.353 116.974 115.700 -0.131 0.000 2.353 317 S HA -0.249 4.150 4.470 -0.119 0.000 0.222 317 S C 2.034 176.556 174.600 -0.129 0.000 1.035 317 S CA 4.033 62.123 58.200 -0.183 0.000 1.025 317 S CB -0.352 62.642 63.200 -0.343 0.000 0.902 317 S HN 0.559 9.211 8.310 -0.144 -0.428 0.440 318 Y N 0.510 120.819 120.300 0.016 0.000 2.352 318 Y HA -0.154 4.450 4.550 0.090 0.000 0.292 318 Y C 2.201 178.168 175.900 0.113 0.000 1.136 318 Y CA 2.523 60.654 58.100 0.052 0.000 1.227 318 Y CB -1.018 37.438 38.460 -0.008 0.000 0.991 318 Y HN -0.368 7.820 8.280 -0.154 0.000 0.545 319 A N -0.354 122.587 122.820 0.203 0.000 1.855 319 A HA -0.292 4.217 4.320 0.315 0.000 0.215 319 A C 1.709 179.481 177.584 0.313 0.000 1.191 319 A CA 3.172 55.331 52.037 0.204 0.000 0.613 319 A CB -0.678 18.303 19.000 -0.031 0.000 0.829 319 A HN -0.027 8.073 8.150 0.114 0.119 0.442 320 R N -2.336 118.293 120.500 0.215 0.000 2.115 320 R HA -0.240 4.347 4.340 0.412 0.000 0.226 320 R C 2.217 178.652 176.300 0.226 0.000 1.100 320 R CA 2.519 58.772 56.100 0.255 0.000 0.980 320 R CB -0.425 29.955 30.300 0.134 0.000 0.875 320 R HN -0.063 8.267 8.270 0.100 0.000 0.445 321 L N 0.361 121.710 121.223 0.210 0.000 2.056 321 L HA -0.274 4.163 4.340 0.162 0.000 0.207 321 L C 1.502 178.553 176.870 0.302 0.000 1.078 321 L CA 2.791 57.761 54.840 0.217 0.000 0.749 321 L CB -0.376 41.807 42.059 0.206 0.000 0.901 321 L HN 0.280 8.603 8.230 0.181 0.016 0.433 322 F N -0.030 120.050 119.950 0.217 0.000 2.171 322 F HA -0.171 4.492 4.527 0.226 0.000 0.300 322 F C 1.581 177.546 175.800 0.274 0.000 1.090 322 F CA 2.922 61.067 58.000 0.241 0.000 1.293 322 F CB -0.213 38.944 39.000 0.261 0.000 1.013 322 F HN 0.083 8.572 8.300 0.492 0.106 0.486 323 S N -0.092 115.745 115.700 0.229 0.000 2.368 323 S HA -0.349 4.110 4.470 -0.019 0.000 0.224 323 S C 1.565 176.195 174.600 0.050 0.000 1.029 323 S CA 4.030 62.269 58.200 0.066 0.000 0.988 323 S CB -0.435 62.795 63.200 0.050 0.000 0.838 323 S HN -0.370 8.044 8.310 0.355 0.109 0.462 324 K N 2.163 122.623 120.400 0.101 0.000 2.097 324 K HA -0.144 4.400 4.320 0.061 -0.187 0.205 324 K C 1.942 178.584 176.600 0.069 0.000 1.050 324 K CA 1.980 58.315 56.287 0.081 0.000 0.938 324 K CB -0.271 32.284 32.500 0.092 0.000 0.718 324 K HN -0.149 8.109 8.250 0.147 0.081 0.442 325 S N -0.524 115.242 115.700 0.110 0.000 2.382 325 S HA -0.231 4.285 4.470 0.077 0.000 0.228 325 S C 2.015 176.640 174.600 0.042 0.000 1.027 325 S CA 3.817 62.093 58.200 0.127 0.000 0.991 325 S CB -0.627 62.759 63.200 0.310 0.000 0.823 325 S HN -0.197 8.198 8.310 0.143 0.000 0.469 326 I N 2.584 123.188 120.570 0.056 0.000 2.286 326 I HA -0.515 3.669 4.170 0.023 0.000 0.248 326 I C 1.595 177.702 176.117 -0.018 0.000 1.115 326 I CA 3.946 65.270 61.300 0.040 0.000 1.392 326 I CB -0.492 37.552 38.000 0.073 0.000 1.065 326 I HN -0.583 7.644 8.210 0.043 0.009 0.418 327 E N -0.074 120.124 120.200 -0.003 0.000 2.023 327 E HA -0.436 3.921 4.350 0.011 0.000 0.196 327 E C 2.357 178.937 176.600 -0.032 0.000 1.003 327 E CA 3.463 59.861 56.400 -0.003 0.000 0.809 327 E CB -0.329 29.380 29.700 0.014 0.000 0.755 327 E HN -0.591 7.677 8.360 0.012 0.099 0.449 328 T N 0.512 115.047 114.554 -0.032 0.000 2.833 328 T HA -0.267 4.114 4.350 0.051 0.000 0.269 328 T C 1.983 176.643 174.700 -0.066 0.000 1.054 328 T CA 3.269 65.369 62.100 0.001 0.000 1.135 328 T CB -0.132 68.740 68.868 0.006 0.000 0.869 328 T HN -0.528 7.700 8.240 -0.019 0.000 0.466 329 L N 1.320 122.355 121.223 -0.313 0.000 2.109 329 L HA -0.266 3.728 4.340 -0.577 0.000 0.207 329 L C 1.997 178.496 176.870 -0.619 0.000 1.086 329 L CA 2.963 57.382 54.840 -0.701 0.000 0.760 329 L CB -0.602 40.607 42.059 -1.416 0.000 0.910 329 L HN 0.027 8.075 8.230 -0.276 0.017 0.437 330 R N 0.119 120.397 120.500 -0.370 0.000 2.070 330 R HA -0.430 3.720 4.340 -0.317 0.000 0.233 330 R C 2.231 178.465 176.300 -0.110 0.000 1.137 330 R CA 3.787 59.757 56.100 -0.216 0.000 0.945 330 R CB 0.062 30.323 30.300 -0.065 0.000 0.845 330 R HN 0.073 8.168 8.270 -0.292 0.000 0.430 331 V N -4.673 115.204 119.914 -0.063 0.000 2.626 331 V HA -0.413 3.685 4.120 -0.036 0.000 0.252 331 V C 1.880 177.931 176.094 -0.071 0.000 1.067 331 V CA 3.816 66.088 62.300 -0.047 0.000 1.081 331 V CB -0.526 31.273 31.823 -0.040 0.000 0.686 331 V HN -0.345 7.809 8.190 -0.060 0.000 0.468 332 H N 1.555 120.535 119.070 -0.150 0.000 2.357 332 H HA -0.104 4.608 4.556 -0.098 -0.214 0.301 332 H C 2.532 177.792 175.328 -0.114 0.000 1.082 332 H CA 4.371 60.337 56.048 -0.136 0.000 1.342 332 H CB 0.195 29.847 29.762 -0.183 0.000 1.389 332 H HN -0.528 7.645 8.280 0.032 0.126 0.511 333 L N -0.696 120.516 121.223 -0.018 0.000 2.093 333 L HA -0.299 4.049 4.340 0.013 0.000 0.208 333 L C 0.984 177.855 176.870 0.002 0.000 1.085 333 L CA 2.304 57.141 54.840 -0.006 0.000 0.755 333 L CB -0.477 41.586 42.059 0.007 0.000 0.904 333 L HN -0.147 7.957 8.230 -0.077 0.080 0.435 334 A N -1.632 121.182 122.820 -0.010 0.000 1.933 334 A HA -0.345 3.986 4.320 0.017 0.000 0.218 334 A C 1.981 179.552 177.584 -0.021 0.000 1.175 334 A CA 2.877 54.913 52.037 -0.003 0.000 0.628 334 A CB -0.672 18.326 19.000 -0.002 0.000 0.814 334 A HN 0.008 8.142 8.150 -0.026 0.000 0.444 335 E N -3.301 116.869 120.200 -0.050 0.000 2.204 335 E HA -0.266 4.048 4.350 -0.059 0.000 0.194 335 E C 1.792 178.367 176.600 -0.041 0.000 0.989 335 E CA 2.062 58.422 56.400 -0.067 0.000 0.824 335 E CB -0.085 29.535 29.700 -0.133 0.000 0.756 335 E HN -0.460 7.758 8.360 -0.063 0.104 0.477 336 K N -3.186 117.202 120.400 -0.021 0.000 2.305 336 K HA 0.019 4.333 4.320 -0.009 0.000 0.199 336 K C 0.085 176.686 176.600 0.002 0.000 1.047 336 K CA -0.161 56.124 56.287 -0.004 0.000 0.976 336 K CB 0.519 33.026 32.500 0.013 0.000 0.765 336 K HN -0.469 7.610 8.250 -0.019 0.159 0.474 337 G N -0.286 108.517 108.800 0.004 0.000 2.466 337 G HA2 -0.272 3.691 3.960 0.005 0.000 0.316 337 G HA3 -0.272 3.692 3.960 0.007 0.000 0.316 337 G C -2.197 172.714 174.900 0.019 0.000 1.270 337 G CA -0.790 44.315 45.100 0.008 0.000 0.982 337 G HN -0.912 7.230 8.290 0.001 0.148 0.506 338 D N -1.741 118.669 120.400 0.018 0.000 2.225 338 D HA -0.020 4.639 4.640 0.032 0.000 0.249 338 D C 1.148 177.461 176.300 0.022 0.000 1.052 338 D CA 0.168 54.182 54.000 0.023 0.000 0.909 338 D CB 0.093 40.902 40.800 0.016 0.000 1.186 338 D HN 0.081 8.459 8.370 0.012 0.000 0.431 339 G N 0.159 108.975 108.800 0.026 0.000 2.155 339 G HA2 -0.420 3.554 3.960 0.023 0.000 0.257 339 G HA3 -0.420 3.551 3.960 0.018 0.000 0.257 339 G C -1.135 173.782 174.900 0.028 0.000 0.983 339 G CA -0.113 45.001 45.100 0.023 0.000 0.676 339 G HN 0.577 8.885 8.290 0.030 0.000 0.528 340 A N -0.214 122.627 122.820 0.034 0.000 2.293 340 A HA 0.149 4.490 4.320 0.034 0.000 0.302 340 A C -1.119 176.495 177.584 0.049 0.000 1.119 340 A CA -0.497 51.563 52.037 0.038 0.000 0.823 340 A CB 1.287 20.308 19.000 0.035 0.000 1.097 340 A HN -0.351 7.765 8.150 0.036 0.056 0.491 341 E N -0.259 119.975 120.200 0.056 0.000 2.241 341 E HA 0.186 4.735 4.350 0.073 -0.155 0.263 341 E C -1.355 175.301 176.600 0.093 0.000 0.882 341 E CA -0.872 55.571 56.400 0.073 0.000 0.769 341 E CB 2.301 32.044 29.700 0.071 0.000 1.185 341 E HN -0.037 8.354 8.360 0.051 0.000 0.415 342 L N 5.019 126.312 121.223 0.117 0.000 2.276 342 L HA 0.234 4.646 4.340 0.121 0.000 0.286 342 L C -1.011 176.031 176.870 0.286 0.000 1.061 342 L CA -0.719 54.215 54.840 0.157 0.000 0.807 342 L CB 1.281 43.412 42.059 0.120 0.000 1.177 342 L HN 0.879 9.066 8.230 0.108 0.107 0.429 343 I N 1.298 122.006 120.570 0.231 0.000 2.428 343 I HA -0.021 4.345 4.170 0.327 0.000 0.289 343 I C 0.552 176.814 176.117 0.242 0.000 1.019 343 I CA -0.631 60.823 61.300 0.257 0.000 1.351 343 I CB 0.792 38.879 38.000 0.145 0.000 1.412 343 I HN -0.019 8.282 8.210 0.151 0.000 0.513 344 W N 7.993 129.313 121.300 0.034 0.000 2.181 344 W HA -0.142 4.019 4.660 -0.831 0.000 0.335 344 W C -1.689 174.680 176.519 -0.249 0.000 1.310 344 W CA 1.109 58.205 57.345 -0.416 0.000 1.226 344 W CB 0.535 29.695 29.460 -0.500 0.000 1.155 344 W HN 0.069 8.526 8.180 0.463 0.000 0.565 345 D N 6.250 125.898 120.400 -1.254 0.000 2.531 345 D HA 0.115 4.296 4.640 -0.765 0.000 0.244 345 D C -0.938 174.404 176.300 -1.597 0.000 1.090 345 D CA -1.200 52.162 54.000 -1.063 0.000 0.989 345 D CB 3.530 44.002 40.800 -0.546 0.000 1.433 345 D HN -0.422 6.964 8.370 -1.640 0.000 0.492 346 K N -2.501 117.321 120.400 -0.964 0.000 2.358 346 K HA 0.058 3.871 4.320 -0.845 0.000 0.197 346 K C -0.925 175.454 176.600 -0.369 0.000 1.025 346 K CA 0.593 56.474 56.287 -0.675 0.000 1.104 346 K CB 0.631 32.921 32.500 -0.351 0.000 0.855 346 K HN 0.127 7.992 8.250 -0.641 0.000 0.531 347 D N -1.804 118.392 120.400 -0.339 0.000 2.398 347 D HA 0.018 4.565 4.640 -0.156 0.000 0.210 347 D C -0.221 175.964 176.300 -0.193 0.000 1.094 347 D CA -0.287 53.591 54.000 -0.204 0.000 0.839 347 D CB -0.061 40.648 40.800 -0.151 0.000 0.963 347 D HN -0.712 7.563 8.370 -0.410 -0.151 0.506 348 D N -0.769 119.464 120.400 -0.277 0.000 2.313 348 D HA 0.347 4.885 4.640 -0.171 0.000 0.239 348 D C -0.755 175.436 176.300 -0.181 0.000 1.142 348 D CA -2.665 51.194 54.000 -0.234 0.000 0.847 348 D CB 1.572 42.189 40.800 -0.305 0.000 1.082 348 D HN -0.418 7.662 8.370 -0.398 0.051 0.480 349 P HA -0.250 4.160 4.420 -0.017 0.000 0.216 349 P C 0.605 177.892 177.300 -0.021 0.000 1.153 349 P CA 2.048 65.124 63.100 -0.041 0.000 0.858 349 P CB 0.175 31.863 31.700 -0.020 0.000 0.789 350 S N -1.437 114.220 115.700 -0.072 0.000 2.345 350 S HA -0.328 4.154 4.470 0.020 0.000 0.220 350 S C 1.858 176.479 174.600 0.034 0.000 1.031 350 S CA 3.684 61.857 58.200 -0.045 0.000 0.996 350 S CB -1.115 61.976 63.200 -0.181 0.000 0.882 350 S HN -0.062 8.226 8.310 -0.123 -0.052 0.445 351 A N 1.936 124.707 122.820 -0.082 0.000 1.933 351 A HA -0.248 4.143 4.320 0.118 0.000 0.218 351 A C 2.275 179.942 177.584 0.138 0.000 1.175 351 A CA 3.099 55.076 52.037 -0.100 0.000 0.628 351 A CB -0.743 17.879 19.000 -0.631 0.000 0.814 351 A HN 0.531 9.027 8.150 -0.192 -0.461 0.444 352 M N -2.213 117.404 119.600 0.029 0.000 2.132 352 M HA -0.276 4.379 4.480 0.292 0.000 0.263 352 M C 2.382 178.834 176.300 0.255 0.000 1.065 352 M CA 1.562 56.956 55.300 0.157 0.000 1.122 352 M CB -1.375 31.246 32.600 0.035 0.000 1.365 352 M HN 0.276 8.500 8.290 -0.094 0.009 0.411 353 D N 0.731 121.266 120.400 0.224 0.000 2.144 353 D HA -0.247 4.542 4.640 0.250 0.000 0.199 353 D C 2.493 179.014 176.300 0.369 0.000 0.984 353 D CA 3.740 57.898 54.000 0.264 0.000 0.834 353 D CB -0.325 40.601 40.800 0.211 0.000 0.955 353 D HN 0.113 8.470 8.370 0.157 0.107 0.465 354 F N 2.388 122.504 119.950 0.276 0.000 2.051 354 F HA -0.290 4.481 4.527 0.407 0.000 0.296 354 F C 1.735 177.802 175.800 0.445 0.000 1.122 354 F CA 3.263 61.494 58.000 0.385 0.000 1.201 354 F CB 0.342 39.586 39.000 0.406 0.000 0.978 354 F HN -0.008 8.577 8.300 0.491 0.009 0.472 355 V N -0.923 119.300 119.914 0.514 0.000 2.407 355 V HA -0.499 3.742 4.120 0.201 0.000 0.248 355 V C 1.852 178.043 176.094 0.161 0.000 1.055 355 V CA 3.952 66.418 62.300 0.277 0.000 1.049 355 V CB -0.488 31.471 31.823 0.227 0.000 0.662 355 V HN -0.287 8.304 8.190 0.668 0.000 0.455 356 T N 2.779 117.454 114.554 0.202 0.000 2.737 356 T HA -0.288 4.103 4.350 0.068 0.000 0.265 356 T C 2.102 176.821 174.700 0.031 0.000 1.038 356 T CA 5.181 67.355 62.100 0.124 0.000 1.144 356 T CB -0.481 68.509 68.868 0.202 0.000 0.866 356 T HN 0.156 8.547 8.240 0.277 0.015 0.434 357 S N 3.042 118.845 115.700 0.173 0.000 2.355 357 S HA -0.403 4.132 4.470 0.108 0.000 0.222 357 S C 1.644 176.216 174.600 -0.046 0.000 1.031 357 S CA 4.239 62.541 58.200 0.170 0.000 0.993 357 S CB -0.523 62.935 63.200 0.430 0.000 0.859 357 S HN 0.042 8.511 8.310 0.266 0.000 0.453 358 A N 0.517 123.340 122.820 0.005 0.000 1.883 358 A HA -0.276 3.892 4.320 -0.254 0.000 0.217 358 A C 1.659 179.355 177.584 0.186 0.000 1.186 358 A CA 2.977 55.018 52.037 0.005 0.000 0.624 358 A CB -0.934 18.102 19.000 0.059 0.000 0.822 358 A HN 0.138 8.355 8.150 0.110 0.000 0.444 359 A N -1.433 121.455 122.820 0.113 0.000 1.877 359 A HA -0.323 4.268 4.320 0.232 -0.132 0.216 359 A C 1.861 179.419 177.584 -0.044 0.000 1.186 359 A CA 2.849 54.941 52.037 0.092 0.000 0.620 359 A CB -0.543 18.472 19.000 0.025 0.000 0.822 359 A HN -0.120 8.071 8.150 0.070 0.000 0.443 360 N N -0.917 117.656 118.700 -0.210 0.000 2.166 360 N HA -0.257 4.338 4.740 -0.241 0.000 0.186 360 N C 2.546 177.923 175.510 -0.222 0.000 1.019 360 N CA 3.357 56.200 53.050 -0.345 0.000 0.856 360 N CB 0.163 38.079 38.487 -0.951 0.000 0.993 360 N HN -0.436 7.801 8.380 -0.238 0.000 0.426 361 L N -0.648 120.404 121.223 -0.285 0.000 2.027 361 L HA -0.301 3.867 4.340 -0.287 0.000 0.206 361 L C 1.841 178.598 176.870 -0.188 0.000 1.074 361 L CA 3.456 58.054 54.840 -0.403 0.000 0.745 361 L CB -0.236 41.162 42.059 -1.101 0.000 0.898 361 L HN 0.207 8.245 8.230 -0.306 0.009 0.433 362 R N -0.894 119.598 120.500 -0.014 0.000 2.073 362 R HA -0.395 4.011 4.340 0.110 0.000 0.234 362 R C 2.500 178.868 176.300 0.113 0.000 1.134 362 R CA 2.818 58.947 56.100 0.050 0.000 0.952 362 R CB -0.143 30.057 30.300 -0.166 0.000 0.850 362 R HN -0.124 8.155 8.270 0.015 0.000 0.433 363 M N -3.228 116.408 119.600 0.060 0.000 2.229 363 M HA -0.252 4.295 4.480 0.112 0.000 0.264 363 M C 1.496 177.858 176.300 0.104 0.000 1.063 363 M CA 3.687 59.035 55.300 0.080 0.000 1.114 363 M CB -0.321 32.288 32.600 0.014 0.000 1.387 363 M HN 0.066 8.363 8.290 0.013 0.000 0.420 364 H N 2.219 121.274 119.070 -0.024 0.000 2.421 364 H HA -0.104 4.442 4.556 -0.017 0.000 0.298 364 H C 2.782 178.078 175.328 -0.053 0.000 1.087 364 H CA 4.079 60.106 56.048 -0.035 0.000 1.330 364 H CB 0.245 29.974 29.762 -0.055 0.000 1.388 364 H HN -0.174 8.095 8.280 0.118 0.082 0.526 365 I N -0.723 119.844 120.570 -0.005 0.000 2.394 365 I HA -0.368 3.700 4.170 -0.170 0.000 0.251 365 I C 0.489 176.386 176.117 -0.366 0.000 1.136 365 I CA 3.515 64.700 61.300 -0.192 0.000 1.425 365 I CB 0.175 38.036 38.000 -0.231 0.000 1.079 365 I HN -0.433 7.712 8.210 0.072 0.108 0.425 366 F N -3.512 116.346 119.950 -0.153 0.000 2.645 366 F HA 0.041 4.463 4.527 -0.176 0.000 0.300 366 F C -1.094 174.618 175.800 -0.146 0.000 1.115 366 F CA -0.016 57.894 58.000 -0.150 0.000 1.355 366 F CB -0.240 38.691 39.000 -0.115 0.000 1.026 366 F HN -0.885 7.376 8.300 0.157 0.133 0.536 367 S N -3.216 112.433 115.700 -0.085 0.000 3.698 367 S HA -0.435 3.899 4.470 -0.227 0.000 0.338 367 S C -0.964 173.607 174.600 -0.049 0.000 1.089 367 S CA 1.518 59.645 58.200 -0.121 0.000 0.991 367 S CB -1.937 61.203 63.200 -0.100 0.000 0.909 367 S HN -0.295 7.716 8.310 -0.168 0.199 0.485 368 M N 0.777 120.367 119.600 -0.016 0.000 2.363 368 M HA 0.191 4.672 4.480 0.001 0.000 0.343 368 M C -1.588 174.717 176.300 0.009 0.000 1.165 368 M CA -0.774 54.529 55.300 0.005 0.000 1.046 368 M CB 3.064 35.676 32.600 0.020 0.000 1.648 368 M HN -0.244 8.026 8.290 -0.011 0.014 0.452 369 N N 4.831 123.539 118.700 0.014 0.000 2.412 369 N HA -0.198 4.566 4.740 0.040 0.000 0.254 369 N C -0.676 174.858 175.510 0.040 0.000 1.232 369 N CA 0.675 53.744 53.050 0.032 0.000 0.880 369 N CB 0.292 38.796 38.487 0.029 0.000 1.076 369 N HN 0.218 8.603 8.380 0.009 0.000 0.458 370 M N 1.937 121.577 119.600 0.067 0.000 2.202 370 M HA -0.202 4.280 4.480 0.004 0.000 0.316 370 M C -0.028 176.298 176.300 0.044 0.000 1.138 370 M CA 1.144 56.473 55.300 0.048 0.000 1.151 370 M CB 1.115 33.780 32.600 0.108 0.000 1.422 370 M HN 0.244 8.587 8.290 0.088 0.000 0.471 371 K N -0.777 119.628 120.400 0.008 0.000 2.395 371 K HA 0.454 4.817 4.320 0.071 0.000 0.247 371 K C -1.035 175.629 176.600 0.106 0.000 0.973 371 K CA -1.828 54.487 56.287 0.047 0.000 0.828 371 K CB 3.739 36.251 32.500 0.019 0.000 1.272 371 K HN 0.694 9.279 8.250 -0.079 -0.383 0.439 372 S N 0.704 116.491 115.700 0.146 0.000 2.614 372 S HA 0.355 4.991 4.470 0.278 0.000 0.265 372 S C 1.188 175.913 174.600 0.208 0.000 1.303 372 S CA -0.735 57.590 58.200 0.208 0.000 1.000 372 S CB 1.995 65.305 63.200 0.184 0.000 0.935 372 S HN 0.430 8.813 8.310 0.123 0.000 0.551 373 R N 2.325 122.977 120.500 0.253 0.000 2.081 373 R HA -0.303 4.163 4.340 0.209 0.000 0.235 373 R C 1.910 178.340 176.300 0.217 0.000 1.131 373 R CA 3.649 59.889 56.100 0.234 0.000 0.960 373 R CB -0.111 30.334 30.300 0.241 0.000 0.856 373 R HN 0.638 9.068 8.270 0.266 0.000 0.436 374 F N -0.552 119.448 119.950 0.083 0.000 2.134 374 F HA -0.296 4.266 4.527 0.058 0.000 0.299 374 F C 1.491 177.326 175.800 0.059 0.000 1.097 374 F CA 3.572 61.609 58.000 0.062 0.000 1.264 374 F CB -0.136 38.894 39.000 0.050 0.000 1.001 374 F HN 0.150 8.674 8.300 0.373 0.000 0.479 375 D N -1.131 119.371 120.400 0.169 0.000 2.097 375 D HA -0.305 4.368 4.640 0.054 0.000 0.195 375 D C 2.366 178.673 176.300 0.011 0.000 0.989 375 D CA 3.557 57.602 54.000 0.076 0.000 0.827 375 D CB -0.233 40.630 40.800 0.105 0.000 0.966 375 D HN -0.335 8.174 8.370 0.247 0.010 0.456 376 I N -0.185 120.407 120.570 0.036 0.000 2.252 376 I HA -0.513 3.662 4.170 0.008 0.000 0.245 376 I C 1.510 177.637 176.117 0.017 0.000 1.102 376 I CA 3.370 64.684 61.300 0.024 0.000 1.385 376 I CB -0.067 37.958 38.000 0.041 0.000 1.064 376 I HN -0.192 8.064 8.210 0.076 0.000 0.414 377 K N 0.793 121.193 120.400 0.001 0.000 2.113 377 K HA -0.370 3.993 4.320 0.071 0.000 0.208 377 K C 2.558 179.108 176.600 -0.083 0.000 1.047 377 K CA 3.839 60.112 56.287 -0.024 0.000 0.928 377 K CB -0.233 32.212 32.500 -0.091 0.000 0.716 377 K HN 0.552 8.699 8.250 0.015 0.112 0.446 378 S N -1.540 114.056 115.700 -0.174 0.000 2.402 378 S HA -0.273 4.092 4.470 -0.176 0.000 0.229 378 S C 1.292 175.859 174.600 -0.055 0.000 1.021 378 S CA 3.704 61.808 58.200 -0.160 0.000 0.974 378 S CB 0.011 63.084 63.200 -0.211 0.000 0.800 378 S HN -0.369 7.802 8.310 -0.210 0.013 0.484 379 M N -2.607 116.976 119.600 -0.028 0.000 2.486 379 M HA 0.190 4.670 4.480 -0.000 0.000 0.264 379 M C 1.082 177.382 176.300 -0.000 0.000 1.125 379 M CA 1.786 57.081 55.300 -0.007 0.000 1.144 379 M CB 0.292 32.886 32.600 -0.010 0.000 1.353 379 M HN -0.779 7.390 8.290 -0.035 0.100 0.466 380 A N -0.889 121.947 122.820 0.027 0.000 1.902 380 A HA -0.288 3.967 4.320 -0.108 0.000 0.217 380 A C 1.319 179.021 177.584 0.197 0.000 1.181 380 A CA 2.823 54.886 52.037 0.043 0.000 0.623 380 A CB 0.196 19.293 19.000 0.161 0.000 0.818 380 A HN 0.608 8.665 8.150 0.032 0.112 0.443 381 G N -5.150 103.800 108.800 0.250 0.000 2.492 381 G HA2 -0.136 4.074 3.960 0.416 0.000 0.214 381 G HA3 -0.136 3.904 3.960 0.133 0.000 0.214 381 G C -0.839 174.128 174.900 0.112 0.000 1.147 381 G CA -0.346 44.893 45.100 0.231 0.000 0.809 381 G HN -0.476 7.913 8.290 0.166 0.000 0.533 382 N N 0.000 118.735 118.700 0.059 0.000 1.763 382 N HA 0.000 4.858 4.740 0.020 -0.106 0.220 382 N CA 0.000 53.072 53.050 0.037 0.000 0.885 382 N CB 0.000 38.515 38.487 0.046 0.000 1.341 382 N HN 0.000 8.409 8.380 0.048 0.000 0.667