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 3oak_1_B DATA FIRST_RESID 142 DATA SEQUENCE GIDPFTDDLE QYLDEKILRL KDEMNIAAQL DIDTLNKRIE TGDTSLIAMQ DATA SEQUENCE KVKLLPKVVS VLSKANLADT ILDNNLLQSV RIWLEPLPDG SLPSFEIQKS DATA SEQUENCE LFAALNDLPV KTEHLKESGL GRVVIFYTKS KRVEAQLARL AEKLIAEWTR DATA SEQUENCE P 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 142 G HA2 0.000 nan 3.960 nan 0.000 0.244 142 G HA3 0.000 3.951 3.960 -0.016 0.000 0.244 142 G C 0.000 174.884 174.900 -0.026 0.000 0.946 142 G CA 0.000 45.087 45.100 -0.023 0.000 0.502 143 I N 2.094 122.641 120.570 -0.038 0.000 2.588 143 I HA -0.037 4.367 4.170 -0.035 -0.254 0.283 143 I C -0.817 175.267 176.117 -0.055 0.000 1.119 143 I CA 0.278 61.551 61.300 -0.044 0.000 1.419 143 I CB 1.299 39.266 38.000 -0.056 0.000 1.394 143 I HN -0.151 8.033 8.210 -0.043 0.000 0.562 144 D N 9.271 129.642 120.400 -0.048 0.000 2.198 144 D HA 0.263 4.860 4.640 -0.072 0.000 0.245 144 D C -0.908 175.298 176.300 -0.156 0.000 1.079 144 D CA -2.673 51.289 54.000 -0.063 0.000 0.854 144 D CB 1.914 42.722 40.800 0.013 0.000 1.148 144 D HN -0.145 8.519 8.370 -0.032 -0.313 0.456 145 P HA -0.045 4.163 4.420 -0.353 0.000 0.220 145 P C -0.213 176.775 177.300 -0.519 0.000 1.148 145 P CA 1.320 64.087 63.100 -0.555 0.000 0.803 145 P CB 0.268 31.400 31.700 -0.948 0.000 0.782 146 F N -2.644 117.307 119.950 0.003 0.000 2.819 146 F HA 0.277 4.806 4.527 0.004 0.000 0.294 146 F C -0.240 175.563 175.800 0.005 0.000 1.166 146 F CA -0.877 57.125 58.000 0.004 0.000 1.374 146 F CB -0.511 38.490 39.000 0.002 0.000 0.956 146 F HN -0.095 8.266 8.300 -0.272 -0.224 0.509 147 T N -2.658 111.958 114.554 0.105 0.000 2.923 147 T HA 0.202 4.605 4.350 0.088 0.000 0.311 147 T C -1.768 172.960 174.700 0.047 0.000 1.183 147 T CA -1.857 60.291 62.100 0.079 0.000 1.020 147 T CB 2.203 71.114 68.868 0.072 0.000 1.165 147 T HN -0.699 7.511 8.240 0.042 0.055 0.482 148 D N -0.258 120.170 120.400 0.047 0.000 2.938 148 D HA 0.188 4.857 4.640 0.049 0.000 0.369 148 D C -1.443 174.884 176.300 0.044 0.000 1.301 148 D CA -1.120 52.907 54.000 0.045 0.000 0.805 148 D CB 0.343 41.166 40.800 0.039 0.000 1.161 148 D HN -0.052 8.347 8.370 0.048 0.000 0.474 149 D N -1.364 119.064 120.400 0.046 0.000 2.539 149 D HA -0.019 4.634 4.640 0.022 0.000 0.276 149 D C 0.960 177.297 176.300 0.062 0.000 1.206 149 D CA -1.534 52.488 54.000 0.037 0.000 1.081 149 D CB 0.621 41.439 40.800 0.029 0.000 1.142 149 D HN -0.478 7.921 8.370 0.048 0.000 0.595 150 L N -0.792 120.457 121.223 0.043 0.000 2.083 150 L HA -0.301 4.090 4.340 0.085 0.000 0.209 150 L C 1.773 178.721 176.870 0.130 0.000 1.083 150 L CA 3.153 58.038 54.840 0.075 0.000 0.752 150 L CB -0.257 41.815 42.059 0.023 0.000 0.899 150 L HN 0.085 8.329 8.230 0.023 0.000 0.433 151 E N -0.394 119.852 120.200 0.077 0.000 2.077 151 E HA -0.477 3.908 4.350 0.058 0.000 0.193 151 E C 2.183 178.817 176.600 0.057 0.000 0.989 151 E CA 3.256 59.692 56.400 0.059 0.000 0.800 151 E CB -0.103 29.618 29.700 0.035 0.000 0.746 151 E HN 0.275 8.756 8.360 0.057 -0.087 0.452 152 Q N -2.439 117.399 119.800 0.062 0.000 2.167 152 Q HA -0.248 4.100 4.340 0.013 0.000 0.202 152 Q C 2.460 178.493 176.000 0.055 0.000 0.970 152 Q CA 1.857 57.684 55.803 0.041 0.000 0.855 152 Q CB -0.542 28.219 28.738 0.037 0.000 0.911 152 Q HN -0.598 7.938 8.270 0.065 -0.227 0.438 153 Y N 1.971 122.261 120.300 -0.017 0.000 2.181 153 Y HA -0.398 4.140 4.550 -0.019 0.000 0.288 153 Y C 1.708 177.595 175.900 -0.022 0.000 1.146 153 Y CA 3.745 61.834 58.100 -0.018 0.000 1.164 153 Y CB -0.029 38.423 38.460 -0.014 0.000 0.982 153 Y HN -0.474 7.867 8.280 0.237 0.082 0.515 154 L N -1.871 119.329 121.223 -0.039 0.000 2.056 154 L HA -0.532 3.637 4.340 -0.284 0.000 0.207 154 L C 2.120 178.898 176.870 -0.153 0.000 1.078 154 L CA 3.301 58.058 54.840 -0.140 0.000 0.749 154 L CB -0.718 41.342 42.059 0.001 0.000 0.901 154 L HN -0.385 7.932 8.230 0.145 0.000 0.433 155 D N -0.999 119.346 120.400 -0.091 0.000 2.116 155 D HA -0.383 4.205 4.640 -0.086 0.000 0.193 155 D C 2.354 178.580 176.300 -0.124 0.000 0.998 155 D CA 3.580 57.526 54.000 -0.090 0.000 0.836 155 D CB -0.790 39.976 40.800 -0.057 0.000 0.951 155 D HN -0.423 7.916 8.370 -0.052 0.000 0.449 156 E N -0.774 119.340 120.200 -0.144 0.000 2.110 156 E HA -0.348 3.933 4.350 -0.115 0.000 0.193 156 E C 2.100 178.580 176.600 -0.199 0.000 0.988 156 E CA 2.742 59.051 56.400 -0.150 0.000 0.804 156 E CB -0.018 29.602 29.700 -0.133 0.000 0.745 156 E HN -0.387 7.893 8.360 -0.134 0.000 0.458 157 K N -0.851 119.367 120.400 -0.304 0.000 2.025 157 K HA -0.248 3.910 4.320 -0.270 0.000 0.207 157 K C 2.644 179.132 176.600 -0.188 0.000 1.049 157 K CA 3.175 59.284 56.287 -0.295 0.000 0.933 157 K CB -0.170 32.077 32.500 -0.422 0.000 0.714 157 K HN -0.570 7.360 8.250 -0.372 0.097 0.438 158 I N -0.038 120.432 120.570 -0.167 0.000 2.252 158 I HA -0.373 3.715 4.170 -0.137 0.000 0.245 158 I C 2.000 178.044 176.117 -0.121 0.000 1.102 158 I CA 2.609 63.828 61.300 -0.136 0.000 1.385 158 I CB -0.210 37.717 38.000 -0.122 0.000 1.064 158 I HN -0.513 7.592 8.210 -0.174 0.000 0.414 159 L N -0.778 120.378 121.223 -0.111 0.000 2.046 159 L HA -0.482 3.806 4.340 -0.088 0.000 0.208 159 L C 2.200 179.018 176.870 -0.086 0.000 1.077 159 L CA 3.446 58.231 54.840 -0.092 0.000 0.747 159 L CB -0.783 41.227 42.059 -0.081 0.000 0.896 159 L HN -0.071 8.090 8.230 -0.115 0.000 0.432 160 R N -1.045 119.400 120.500 -0.092 0.000 2.092 160 R HA -0.315 3.988 4.340 -0.062 0.000 0.231 160 R C 2.151 178.407 176.300 -0.073 0.000 1.119 160 R CA 3.220 59.276 56.100 -0.075 0.000 0.970 160 R CB -0.150 30.104 30.300 -0.078 0.000 0.864 160 R HN -0.429 7.777 8.270 -0.106 0.000 0.440 161 L N -0.025 121.141 121.223 -0.095 0.000 2.093 161 L HA -0.091 4.377 4.340 -0.083 -0.178 0.208 161 L C 1.386 178.185 176.870 -0.118 0.000 1.085 161 L CA 2.753 57.531 54.840 -0.104 0.000 0.755 161 L CB -0.271 41.711 42.059 -0.129 0.000 0.904 161 L HN -0.524 7.641 8.230 -0.107 0.000 0.435 162 K N -0.337 119.991 120.400 -0.119 0.000 2.032 162 K HA -0.458 3.770 4.320 -0.153 0.000 0.209 162 K C 1.861 178.418 176.600 -0.072 0.000 1.048 162 K CA 3.912 60.129 56.287 -0.117 0.000 0.927 162 K CB -0.452 31.987 32.500 -0.102 0.000 0.712 162 K HN -0.022 8.159 8.250 -0.116 0.000 0.441 163 D N -1.103 119.267 120.400 -0.051 0.000 2.117 163 D HA -0.228 4.403 4.640 -0.016 0.000 0.197 163 D C 2.476 178.778 176.300 0.003 0.000 0.987 163 D CA 3.169 57.156 54.000 -0.022 0.000 0.829 163 D CB -0.429 40.357 40.800 -0.023 0.000 0.961 163 D HN -0.489 7.846 8.370 -0.058 0.000 0.460 164 E N 0.349 120.548 120.200 -0.002 0.000 2.058 164 E HA -0.389 3.986 4.350 0.041 0.000 0.194 164 E C 2.584 179.243 176.600 0.099 0.000 0.997 164 E CA 3.039 59.460 56.400 0.035 0.000 0.801 164 E CB -0.024 29.689 29.700 0.020 0.000 0.746 164 E HN -0.297 8.050 8.360 -0.023 0.000 0.450 165 M N -1.213 118.423 119.600 0.059 0.000 2.086 165 M HA -0.422 4.296 4.480 0.396 0.000 0.261 165 M C 2.711 179.215 176.300 0.339 0.000 1.067 165 M CA 4.267 59.666 55.300 0.165 0.000 1.116 165 M CB -0.115 32.294 32.600 -0.319 0.000 1.348 165 M HN 0.056 8.332 8.290 -0.024 0.000 0.407 166 N N -0.056 118.729 118.700 0.142 0.000 2.120 166 N HA -0.243 4.599 4.740 0.170 0.000 0.188 166 N C 2.339 177.922 175.510 0.122 0.000 1.024 166 N CA 3.174 56.303 53.050 0.131 0.000 0.852 166 N CB -0.397 38.121 38.487 0.052 0.000 1.003 166 N HN -0.401 8.016 8.380 0.061 0.000 0.424 167 I N -0.054 120.575 120.570 0.098 0.000 2.286 167 I HA -0.424 3.778 4.170 0.052 0.000 0.245 167 I C 1.195 177.358 176.117 0.077 0.000 1.104 167 I CA 3.974 65.316 61.300 0.069 0.000 1.397 167 I CB -0.195 37.834 38.000 0.049 0.000 1.072 167 I HN -0.278 7.986 8.210 0.091 0.000 0.417 168 A N -0.304 122.592 122.820 0.127 0.000 1.908 168 A HA -0.410 3.937 4.320 0.044 0.000 0.218 168 A C 1.499 179.085 177.584 0.004 0.000 1.181 168 A CA 3.153 55.242 52.037 0.086 0.000 0.627 168 A CB -0.910 18.193 19.000 0.172 0.000 0.818 168 A HN -0.014 8.239 8.150 0.172 0.000 0.445 169 A N -2.362 120.500 122.820 0.070 0.000 1.902 169 A HA -0.388 3.823 4.320 -0.181 0.000 0.217 169 A C 1.731 179.304 177.584 -0.017 0.000 1.181 169 A CA 2.927 54.947 52.037 -0.028 0.000 0.623 169 A CB -0.727 18.340 19.000 0.112 0.000 0.818 169 A HN -0.181 8.099 8.150 0.216 0.000 0.443 170 Q N -0.980 118.832 119.800 0.020 0.000 2.187 170 Q HA -0.158 4.184 4.340 0.003 0.000 0.199 170 Q C 2.396 178.393 176.000 -0.006 0.000 0.957 170 Q CA 2.169 57.977 55.803 0.008 0.000 0.857 170 Q CB -0.343 28.407 28.738 0.019 0.000 0.929 170 Q HN -0.503 7.795 8.270 0.046 0.000 0.453 171 L N -0.600 120.619 121.223 -0.007 0.000 2.093 171 L HA -0.306 4.028 4.340 -0.010 0.000 0.208 171 L C 1.944 178.795 176.870 -0.031 0.000 1.085 171 L CA 2.946 57.778 54.840 -0.014 0.000 0.755 171 L CB -0.475 41.578 42.059 -0.010 0.000 0.904 171 L HN -0.011 8.220 8.230 0.001 0.000 0.435 172 D N 0.072 120.440 120.400 -0.053 0.000 2.123 172 D HA -0.185 4.419 4.640 -0.059 0.000 0.200 172 D C 2.540 178.810 176.300 -0.050 0.000 0.976 172 D CA 3.516 57.476 54.000 -0.067 0.000 0.831 172 D CB -0.358 40.373 40.800 -0.116 0.000 0.974 172 D HN -0.612 7.721 8.370 -0.062 0.000 0.469 173 I N 0.290 120.834 120.570 -0.044 0.000 2.163 173 I HA -0.573 3.578 4.170 -0.032 0.000 0.243 173 I C 1.456 177.560 176.117 -0.022 0.000 1.085 173 I CA 4.578 65.860 61.300 -0.030 0.000 1.347 173 I CB -0.085 37.902 38.000 -0.023 0.000 1.044 173 I HN -0.445 7.738 8.210 -0.046 0.000 0.408 174 D N -0.416 119.973 120.400 -0.019 0.000 2.108 174 D HA -0.343 4.290 4.640 -0.011 0.000 0.190 174 D C 2.568 178.859 176.300 -0.015 0.000 0.995 174 D CA 3.656 57.647 54.000 -0.014 0.000 0.834 174 D CB -0.590 40.204 40.800 -0.011 0.000 0.967 174 D HN -0.203 8.156 8.370 -0.019 0.000 0.446 175 T N 3.018 117.561 114.554 -0.018 0.000 2.597 175 T HA -0.494 3.847 4.350 -0.014 0.000 0.267 175 T C 2.031 176.721 174.700 -0.016 0.000 1.053 175 T CA 4.327 66.417 62.100 -0.018 0.000 1.165 175 T CB 0.089 68.943 68.868 -0.023 0.000 0.863 175 T HN -0.434 7.793 8.240 -0.021 0.000 0.427 176 L N 0.465 121.676 121.223 -0.020 0.000 1.971 176 L HA -0.448 3.883 4.340 -0.016 0.000 0.215 176 L C 1.815 178.678 176.870 -0.013 0.000 1.072 176 L CA 4.019 58.849 54.840 -0.017 0.000 0.758 176 L CB -0.226 41.821 42.059 -0.020 0.000 0.889 176 L HN -0.302 7.914 8.230 -0.024 0.000 0.433 177 N N -1.858 116.834 118.700 -0.013 0.000 2.036 177 N HA -0.448 4.286 4.740 -0.009 0.000 0.195 177 N C 2.105 177.610 175.510 -0.008 0.000 1.037 177 N CA 2.956 56.000 53.050 -0.010 0.000 0.855 177 N CB -0.654 37.827 38.487 -0.010 0.000 1.033 177 N HN -0.522 7.849 8.380 -0.015 0.000 0.423 178 K N 0.524 120.919 120.400 -0.008 0.000 2.020 178 K HA -0.450 3.867 4.320 -0.006 0.000 0.212 178 K C 1.968 178.564 176.600 -0.006 0.000 1.050 178 K CA 3.438 59.721 56.287 -0.007 0.000 0.929 178 K CB 0.054 32.550 32.500 -0.007 0.000 0.714 178 K HN -0.325 7.920 8.250 -0.009 0.000 0.443 179 R N -1.038 119.458 120.500 -0.007 0.000 2.119 179 R HA -0.328 4.008 4.340 -0.005 0.000 0.246 179 R C 2.524 178.821 176.300 -0.005 0.000 1.146 179 R CA 3.049 59.145 56.100 -0.006 0.000 0.962 179 R CB -0.646 29.649 30.300 -0.007 0.000 0.863 179 R HN -0.647 7.618 8.270 -0.008 0.000 0.442 180 I N -1.073 119.494 120.570 -0.006 0.000 2.127 180 I HA -0.491 3.677 4.170 -0.004 0.000 0.241 180 I C 2.792 178.907 176.117 -0.004 0.000 1.075 180 I CA 3.753 65.050 61.300 -0.005 0.000 1.334 180 I CB -0.145 37.852 38.000 -0.005 0.000 1.040 180 I HN -0.184 7.935 8.210 -0.007 0.087 0.405 181 E N -1.607 118.591 120.200 -0.004 0.000 2.153 181 E HA -0.244 4.104 4.350 -0.003 0.000 0.194 181 E C 1.624 178.222 176.600 -0.003 0.000 0.988 181 E CA 2.692 59.090 56.400 -0.004 0.000 0.811 181 E CB -0.043 29.655 29.700 -0.004 0.000 0.746 181 E HN 0.093 8.374 8.360 -0.005 0.076 0.466 182 T N -8.607 105.945 114.554 -0.003 0.000 3.085 182 T HA 0.260 4.609 4.350 -0.003 0.000 0.264 182 T C 0.647 175.346 174.700 -0.003 0.000 1.019 182 T CA -1.261 60.838 62.100 -0.003 0.000 0.910 182 T CB 0.612 69.478 68.868 -0.003 0.000 1.059 182 T HN -0.384 7.719 8.240 -0.004 0.135 0.542 183 G N 1.670 110.468 108.800 -0.003 0.000 2.280 183 G HA2 -0.486 3.486 3.960 -0.003 0.000 0.282 183 G HA3 -0.486 3.473 3.960 -0.002 0.000 0.282 183 G C -0.481 174.417 174.900 -0.003 0.000 1.000 183 G CA 1.207 46.306 45.100 -0.003 0.000 0.751 183 G HN -0.633 7.548 8.290 -0.003 0.107 0.515 184 D N 0.090 120.488 120.400 -0.003 0.000 2.358 184 D HA -0.045 4.594 4.640 -0.003 0.000 0.258 184 D C 1.230 177.528 176.300 -0.004 0.000 1.223 184 D CA 0.076 54.074 54.000 -0.003 0.000 0.886 184 D CB 0.435 41.232 40.800 -0.004 0.000 1.120 184 D HN -0.873 7.438 8.370 -0.003 0.058 0.482 185 T N 3.250 117.802 114.554 -0.003 0.000 3.014 185 T HA -0.114 4.234 4.350 -0.003 0.000 0.263 185 T C 0.822 175.520 174.700 -0.003 0.000 1.078 185 T CA 1.681 63.779 62.100 -0.003 0.000 1.135 185 T CB 0.233 69.100 68.868 -0.002 0.000 0.895 185 T HN 0.118 8.357 8.240 -0.003 0.000 0.480 186 S N 0.843 116.541 115.700 -0.003 0.000 2.399 186 S HA -0.204 4.264 4.470 -0.003 0.000 0.231 186 S C 0.436 175.033 174.600 -0.005 0.000 1.022 186 S CA 1.650 59.848 58.200 -0.004 0.000 0.983 186 S CB -0.042 63.156 63.200 -0.003 0.000 0.803 186 S HN -0.572 7.907 8.310 -0.003 -0.171 0.480 187 L N 3.388 124.607 121.223 -0.006 0.000 2.500 187 L HA -0.047 4.288 4.340 -0.008 0.000 0.272 187 L C -1.225 175.638 176.870 -0.010 0.000 1.149 187 L CA 0.229 55.064 54.840 -0.008 0.000 0.897 187 L CB -1.080 40.974 42.059 -0.008 0.000 1.178 187 L HN -0.878 7.325 8.230 -0.005 0.024 0.473 188 I N -0.956 119.606 120.570 -0.012 0.000 2.934 188 I HA 0.373 4.534 4.170 -0.016 0.000 0.306 188 I C -1.571 174.532 176.117 -0.023 0.000 1.110 188 I CA -2.157 59.133 61.300 -0.016 0.000 1.019 188 I CB 3.882 41.875 38.000 -0.012 0.000 1.227 188 I HN -0.218 7.985 8.210 -0.012 0.000 0.434 189 A N 4.194 126.994 122.820 -0.032 0.000 2.280 189 A HA 0.275 4.568 4.320 -0.046 0.000 0.320 189 A C -0.568 176.979 177.584 -0.061 0.000 1.366 189 A CA -0.298 51.709 52.037 -0.050 0.000 0.938 189 A CB 0.313 19.276 19.000 -0.062 0.000 1.157 189 A HN 0.277 8.408 8.150 -0.031 0.000 0.536 190 M N 2.807 122.373 119.600 -0.057 0.000 2.347 190 M HA 0.169 4.607 4.480 -0.069 0.000 0.324 190 M C 0.548 176.805 176.300 -0.072 0.000 1.028 190 M CA -0.024 55.241 55.300 -0.059 0.000 0.988 190 M CB 1.123 33.705 32.600 -0.030 0.000 1.528 190 M HN 0.566 8.827 8.290 -0.049 0.000 0.550 191 Q N 1.187 120.936 119.800 -0.085 0.000 2.084 191 Q HA -0.306 4.015 4.340 -0.032 0.000 0.202 191 Q C 2.053 177.983 176.000 -0.116 0.000 0.978 191 Q CA 2.989 58.751 55.803 -0.068 0.000 0.844 191 Q CB -0.525 28.183 28.738 -0.050 0.000 0.898 191 Q HN -0.293 8.157 8.270 -0.087 -0.232 0.426 192 K N -0.548 119.667 120.400 -0.309 0.000 2.057 192 K HA -0.295 3.614 4.320 -0.686 0.000 0.207 192 K C 2.395 178.798 176.600 -0.327 0.000 1.049 192 K CA 3.115 58.990 56.287 -0.687 0.000 0.931 192 K CB -0.370 31.367 32.500 -1.271 0.000 0.714 192 K HN -0.639 7.676 8.250 -0.324 -0.260 0.440 193 V N -1.171 118.628 119.914 -0.193 0.000 2.287 193 V HA -0.493 3.607 4.120 -0.033 0.000 0.248 193 V C 2.548 178.652 176.094 0.017 0.000 1.053 193 V CA 3.892 66.159 62.300 -0.055 0.000 1.027 193 V CB -0.295 31.506 31.823 -0.037 0.000 0.646 193 V HN -0.193 7.875 8.190 -0.204 0.000 0.447 194 K N -0.711 119.695 120.400 0.010 0.000 2.097 194 K HA -0.305 4.038 4.320 0.038 0.000 0.206 194 K C 1.759 178.409 176.600 0.085 0.000 1.049 194 K CA 2.967 59.278 56.287 0.040 0.000 0.933 194 K CB -0.176 32.340 32.500 0.026 0.000 0.717 194 K HN -0.395 7.845 8.250 -0.016 0.000 0.442 195 L N -1.497 119.811 121.223 0.141 0.000 2.492 195 L HA 0.034 4.463 4.340 0.149 0.000 0.223 195 L C 0.889 177.923 176.870 0.274 0.000 1.132 195 L CA 0.364 55.338 54.840 0.222 0.000 0.850 195 L CB 0.286 42.546 42.059 0.336 0.000 0.966 195 L HN -0.616 7.589 8.230 0.128 0.101 0.454 196 L N 1.283 122.686 121.223 0.301 0.000 2.043 196 L HA -0.207 4.388 4.340 0.425 0.000 0.212 196 L C -1.684 175.268 176.870 0.137 0.000 1.075 196 L CA 5.369 60.386 54.840 0.295 0.000 0.752 196 L CB -2.482 39.721 42.059 0.241 0.000 0.891 196 L HN -0.408 7.813 8.230 0.238 0.153 0.432 197 P HA -0.277 4.175 4.420 0.052 0.000 0.218 197 P C 1.633 178.954 177.300 0.035 0.000 1.148 197 P CA 3.236 66.370 63.100 0.057 0.000 0.822 197 P CB -0.800 30.930 31.700 0.049 0.000 0.784 198 K N -1.367 119.054 120.400 0.036 0.000 2.057 198 K HA -0.241 4.080 4.320 0.001 0.000 0.206 198 K C 2.012 178.591 176.600 -0.035 0.000 1.050 198 K CA 2.900 59.190 56.287 0.004 0.000 0.935 198 K CB -0.211 32.293 32.500 0.007 0.000 0.715 198 K HN -0.724 7.559 8.250 0.056 0.000 0.439 199 V N 0.299 120.180 119.914 -0.055 0.000 2.255 199 V HA -0.563 3.446 4.120 -0.186 0.000 0.247 199 V C 1.735 177.769 176.094 -0.100 0.000 1.051 199 V CA 4.518 66.728 62.300 -0.149 0.000 1.018 199 V CB 0.012 31.663 31.823 -0.285 0.000 0.641 199 V HN -0.672 7.508 8.190 -0.016 0.000 0.445 200 V N -0.719 119.170 119.914 -0.042 0.000 2.392 200 V HA -0.578 3.519 4.120 -0.039 0.000 0.249 200 V C 1.980 178.058 176.094 -0.027 0.000 1.059 200 V CA 4.794 67.078 62.300 -0.026 0.000 1.051 200 V CB -0.296 31.532 31.823 0.008 0.000 0.658 200 V HN 0.187 8.369 8.190 -0.012 0.000 0.455 201 S N -0.129 115.558 115.700 -0.021 0.000 2.402 201 S HA -0.285 4.179 4.470 -0.011 0.000 0.229 201 S C 1.760 176.342 174.600 -0.030 0.000 1.021 201 S CA 3.419 61.609 58.200 -0.017 0.000 0.974 201 S CB -0.472 62.723 63.200 -0.007 0.000 0.800 201 S HN -0.470 7.829 8.310 -0.017 0.000 0.484 202 V N 1.551 121.435 119.914 -0.050 0.000 2.283 202 V HA -0.356 3.734 4.120 -0.051 0.000 0.243 202 V C 2.180 178.234 176.094 -0.067 0.000 1.039 202 V CA 3.704 65.966 62.300 -0.063 0.000 1.016 202 V CB 0.125 31.894 31.823 -0.089 0.000 0.650 202 V HN -0.835 7.320 8.190 -0.058 0.000 0.449 203 L N -3.099 118.076 121.223 -0.080 0.000 2.127 203 L HA -0.319 3.968 4.340 -0.088 0.000 0.211 203 L C 1.068 177.907 176.870 -0.051 0.000 1.089 203 L CA 2.542 57.335 54.840 -0.079 0.000 0.757 203 L CB -0.346 41.658 42.059 -0.093 0.000 0.899 203 L HN -0.290 7.887 8.230 -0.089 0.000 0.434 204 S N -5.169 110.509 115.700 -0.037 0.000 2.522 204 S HA -0.139 4.320 4.470 -0.018 0.000 0.227 204 S C -0.082 174.508 174.600 -0.017 0.000 0.986 204 S CA 1.011 59.199 58.200 -0.021 0.000 0.929 204 S CB 0.455 63.648 63.200 -0.012 0.000 0.769 204 S HN -0.688 7.580 8.310 -0.037 0.020 0.529 205 K N 3.178 123.565 120.400 -0.023 0.000 2.292 205 K HA 0.030 4.344 4.320 -0.010 0.000 0.290 205 K C 0.098 176.687 176.600 -0.018 0.000 1.083 205 K CA -0.864 55.414 56.287 -0.016 0.000 0.918 205 K CB 0.099 32.590 32.500 -0.015 0.000 1.089 205 K HN -0.683 7.502 8.250 -0.030 0.046 0.473 206 A N 7.713 130.526 122.820 -0.011 0.000 1.927 206 A HA -0.390 3.923 4.320 -0.013 0.000 0.220 206 A C 1.063 178.640 177.584 -0.012 0.000 1.185 206 A CA 3.508 55.538 52.037 -0.010 0.000 0.639 206 A CB -0.601 18.397 19.000 -0.004 0.000 0.820 206 A HN 0.685 8.830 8.150 -0.008 0.000 0.451 207 N N -4.578 114.117 118.700 -0.008 0.000 2.461 207 N HA -0.119 4.617 4.740 -0.006 0.000 0.188 207 N C 0.387 175.891 175.510 -0.011 0.000 1.134 207 N CA 1.503 54.549 53.050 -0.006 0.000 0.878 207 N CB -0.987 37.501 38.487 0.002 0.000 0.972 207 N HN 0.206 8.571 8.380 -0.006 0.012 0.456 208 L N -2.928 118.282 121.223 -0.022 0.000 2.640 208 L HA 0.290 4.614 4.340 -0.028 0.000 0.230 208 L C 0.200 177.038 176.870 -0.053 0.000 1.123 208 L CA -0.545 54.274 54.840 -0.034 0.000 0.900 208 L CB 0.070 42.105 42.059 -0.040 0.000 1.146 208 L HN -0.150 7.895 8.230 -0.023 0.171 0.484 209 A N 1.047 123.837 122.820 -0.050 0.000 1.892 209 A HA -0.493 3.777 4.320 -0.083 0.000 0.218 209 A C 1.087 178.617 177.584 -0.091 0.000 1.188 209 A CA 4.296 56.291 52.037 -0.070 0.000 0.631 209 A CB -0.601 18.368 19.000 -0.052 0.000 0.822 209 A HN -0.664 7.413 8.150 -0.039 0.049 0.447 210 D N -4.095 116.267 120.400 -0.064 0.000 2.144 210 D HA -0.265 4.329 4.640 -0.076 0.000 0.199 210 D C 2.109 178.366 176.300 -0.071 0.000 0.984 210 D CA 3.735 57.697 54.000 -0.062 0.000 0.834 210 D CB -0.639 40.144 40.800 -0.028 0.000 0.955 210 D HN 0.386 8.728 8.370 -0.047 0.000 0.465 211 T N 2.393 116.908 114.554 -0.063 0.000 2.857 211 T HA -0.270 4.046 4.350 -0.056 0.000 0.266 211 T C 1.926 176.570 174.700 -0.093 0.000 1.048 211 T CA 4.280 66.341 62.100 -0.066 0.000 1.139 211 T CB -0.100 68.734 68.868 -0.057 0.000 0.874 211 T HN -0.827 7.379 8.240 -0.056 0.000 0.455 212 I N 1.871 122.375 120.570 -0.110 0.000 2.163 212 I HA -0.527 3.566 4.170 -0.128 0.000 0.243 212 I C 1.217 177.233 176.117 -0.169 0.000 1.085 212 I CA 4.528 65.747 61.300 -0.135 0.000 1.347 212 I CB -0.104 37.815 38.000 -0.135 0.000 1.044 212 I HN -0.155 7.994 8.210 -0.102 0.000 0.408 213 L N -2.109 118.979 121.223 -0.224 0.000 2.131 213 L HA -0.357 3.746 4.340 -0.394 0.000 0.206 213 L C 2.503 179.249 176.870 -0.206 0.000 1.087 213 L CA 2.984 57.592 54.840 -0.385 0.000 0.767 213 L CB -0.440 41.191 42.059 -0.712 0.000 0.917 213 L HN -0.358 7.748 8.230 -0.207 0.000 0.441 214 D N -0.858 119.482 120.400 -0.101 0.000 2.219 214 D HA -0.097 4.565 4.640 0.037 0.000 0.205 214 D C 1.298 177.582 176.300 -0.027 0.000 0.970 214 D CA 2.701 56.691 54.000 -0.017 0.000 0.851 214 D CB -0.297 40.495 40.800 -0.014 0.000 0.943 214 D HN 0.087 8.392 8.370 -0.108 0.000 0.488 215 N N -2.997 115.667 118.700 -0.060 0.000 2.268 215 N HA 0.048 4.760 4.740 -0.047 0.000 0.204 215 N C -0.817 174.654 175.510 -0.065 0.000 1.124 215 N CA -0.280 52.734 53.050 -0.060 0.000 0.838 215 N CB 0.584 39.027 38.487 -0.074 0.000 0.994 215 N HN -0.570 7.738 8.380 -0.081 0.023 0.489 216 N N -1.316 117.346 118.700 -0.063 0.000 2.735 216 N HA -0.355 4.350 4.740 -0.059 0.000 0.248 216 N C 0.590 176.045 175.510 -0.092 0.000 1.083 216 N CA 0.956 53.968 53.050 -0.063 0.000 0.703 216 N CB -0.922 37.540 38.487 -0.041 0.000 1.005 216 N HN -0.568 7.720 8.380 -0.060 0.056 0.550 217 L N -0.987 120.165 121.223 -0.118 0.000 2.191 217 L HA -0.271 3.985 4.340 -0.141 0.000 0.212 217 L C 0.337 177.114 176.870 -0.155 0.000 1.103 217 L CA 2.320 57.074 54.840 -0.144 0.000 0.769 217 L CB 0.009 41.972 42.059 -0.160 0.000 0.908 217 L HN -0.532 7.607 8.230 -0.123 0.017 0.438 218 L N -4.292 116.847 121.223 -0.141 0.000 2.353 218 L HA -0.474 3.777 4.340 -0.149 0.000 0.220 218 L C 1.857 178.662 176.870 -0.108 0.000 1.133 218 L CA 1.991 56.751 54.840 -0.135 0.000 0.798 218 L CB -1.179 40.800 42.059 -0.134 0.000 0.922 218 L HN -0.040 8.082 8.230 -0.137 0.026 0.445 219 Q N 0.034 119.780 119.800 -0.091 0.000 2.119 219 Q HA -0.313 4.145 4.340 -0.052 -0.149 0.201 219 Q C 2.240 178.202 176.000 -0.063 0.000 0.972 219 Q CA 3.208 58.973 55.803 -0.063 0.000 0.847 219 Q CB -0.237 28.471 28.738 -0.051 0.000 0.903 219 Q HN -0.390 7.796 8.270 -0.092 0.029 0.433 220 S N 0.118 115.754 115.700 -0.107 0.000 2.406 220 S HA -0.181 4.252 4.470 -0.061 0.000 0.228 220 S C 1.959 176.449 174.600 -0.183 0.000 1.020 220 S CA 3.255 61.371 58.200 -0.139 0.000 0.965 220 S CB -0.391 62.666 63.200 -0.238 0.000 0.798 220 S HN -0.557 7.677 8.310 -0.126 0.000 0.488 221 V N 3.090 122.885 119.914 -0.199 0.000 2.295 221 V HA -0.568 3.417 4.120 -0.226 0.000 0.246 221 V C 1.149 177.220 176.094 -0.038 0.000 1.049 221 V CA 4.494 66.692 62.300 -0.169 0.000 1.024 221 V CB -0.334 31.380 31.823 -0.182 0.000 0.648 221 V HN -0.749 7.239 8.190 -0.192 0.087 0.447 222 R N -0.828 119.653 120.500 -0.031 0.000 2.083 222 R HA -0.345 4.004 4.340 0.014 0.000 0.237 222 R C 2.374 178.720 176.300 0.077 0.000 1.137 222 R CA 3.330 59.441 56.100 0.018 0.000 0.951 222 R CB -0.258 30.048 30.300 0.010 0.000 0.851 222 R HN -0.579 7.659 8.270 -0.054 0.000 0.434 223 I N -1.963 118.663 120.570 0.093 0.000 2.226 223 I HA -0.369 4.027 4.170 0.099 -0.167 0.245 223 I C 2.928 179.193 176.117 0.247 0.000 1.100 223 I CA 3.488 64.874 61.300 0.144 0.000 1.374 223 I CB -0.235 37.853 38.000 0.146 0.000 1.057 223 I HN -0.629 7.619 8.210 0.062 0.000 0.413 224 W N -2.021 119.266 121.300 -0.023 0.000 2.374 224 W HA -0.270 4.388 4.660 -0.004 0.000 0.288 224 W C 1.224 177.751 176.519 0.014 0.000 1.218 224 W CA 3.361 60.698 57.345 -0.014 0.000 1.245 224 W CB -0.428 29.010 29.460 -0.037 0.000 1.126 224 W HN -0.483 7.967 8.180 0.450 0.000 0.545 225 L N -6.107 115.248 121.223 0.220 0.000 2.418 225 L HA -0.093 4.381 4.340 0.222 0.000 0.218 225 L C 0.255 177.314 176.870 0.316 0.000 1.125 225 L CA 0.649 55.616 54.840 0.212 0.000 0.835 225 L CB -0.043 42.042 42.059 0.045 0.000 0.953 225 L HN -0.784 7.444 8.230 0.193 0.117 0.454 226 E N -1.146 119.157 120.200 0.172 0.000 2.398 226 E HA -0.035 4.337 4.350 0.036 0.000 0.263 226 E C -1.946 174.656 176.600 0.003 0.000 1.046 226 E CA -1.572 54.861 56.400 0.055 0.000 0.908 226 E CB -0.060 29.637 29.700 -0.005 0.000 0.963 226 E HN -0.915 7.495 8.360 0.144 0.037 0.431 227 P HA -0.160 4.398 4.420 -0.015 -0.146 0.266 227 P C -0.712 176.544 177.300 -0.073 0.000 1.195 227 P CA 0.022 63.056 63.100 -0.109 0.000 0.768 227 P CB 0.718 32.263 31.700 -0.260 0.000 0.838 228 L N 2.980 124.184 121.223 -0.032 0.000 2.475 228 L HA 0.186 4.505 4.340 -0.035 0.000 0.250 228 L C 0.765 177.616 176.870 -0.032 0.000 1.224 228 L CA -1.207 53.614 54.840 -0.031 0.000 0.821 228 L CB -1.511 40.535 42.059 -0.022 0.000 1.141 228 L HN 0.010 8.232 8.230 -0.012 0.000 0.494 229 P HA -0.142 4.262 4.420 -0.028 0.000 0.218 229 P C -0.771 176.520 177.300 -0.015 0.000 1.149 229 P CA 1.926 65.012 63.100 -0.023 0.000 0.817 229 P CB -0.035 31.654 31.700 -0.018 0.000 0.785 230 D N -4.734 115.660 120.400 -0.010 0.000 2.323 230 D HA -0.091 4.548 4.640 -0.002 0.000 0.239 230 D C 1.094 177.397 176.300 0.005 0.000 1.129 230 D CA -1.166 52.833 54.000 -0.002 0.000 0.865 230 D CB -1.789 39.011 40.800 -0.001 0.000 0.913 230 D HN -0.165 8.199 8.370 -0.011 0.000 0.517 231 G N -0.860 107.942 108.800 0.002 0.000 2.212 231 G HA2 -0.456 3.511 3.960 0.011 0.000 0.266 231 G HA3 -0.456 3.522 3.960 0.029 0.000 0.266 231 G C 0.099 175.024 174.900 0.041 0.000 0.978 231 G CA 0.595 45.707 45.100 0.020 0.000 0.632 231 G HN 0.017 8.117 8.290 -0.008 0.185 0.537 232 S N 0.955 116.672 115.700 0.028 0.000 2.614 232 S HA 0.065 4.564 4.470 0.049 0.000 0.265 232 S C -0.608 174.025 174.600 0.056 0.000 1.303 232 S CA 0.003 58.227 58.200 0.040 0.000 1.000 232 S CB 1.297 64.512 63.200 0.025 0.000 0.935 232 S HN -0.429 8.126 8.310 0.016 -0.235 0.551 233 L N -0.234 121.036 121.223 0.078 0.000 2.375 233 L HA 0.255 4.671 4.340 0.128 0.000 0.268 233 L C -0.736 176.194 176.870 0.101 0.000 1.058 233 L CA -2.983 51.927 54.840 0.117 0.000 0.803 233 L CB -0.048 42.099 42.059 0.145 0.000 1.212 233 L HN 0.040 8.314 8.230 0.074 0.000 0.451 234 P HA 0.133 4.558 4.420 0.008 0.000 0.273 234 P C -1.411 175.951 177.300 0.103 0.000 1.250 234 P CA -0.686 62.452 63.100 0.063 0.000 0.793 234 P CB 0.740 32.474 31.700 0.056 0.000 1.011 235 S N -2.017 113.725 115.700 0.069 0.000 2.584 235 S HA -0.162 4.387 4.470 0.132 0.000 0.270 235 S C 1.218 175.929 174.600 0.184 0.000 1.346 235 S CA -0.197 58.075 58.200 0.120 0.000 1.018 235 S CB 1.111 64.363 63.200 0.086 0.000 0.899 235 S HN -0.205 8.118 8.310 0.021 0.000 0.542 236 F N 3.869 123.868 119.950 0.081 0.000 2.126 236 F HA -0.343 4.260 4.527 0.127 0.000 0.299 236 F C 0.955 176.817 175.800 0.103 0.000 1.096 236 F CA 4.374 62.433 58.000 0.098 0.000 1.255 236 F CB -0.059 38.984 39.000 0.070 0.000 0.997 236 F HN 0.736 9.252 8.300 0.359 0.000 0.479 237 E N -2.035 118.274 120.200 0.182 0.000 2.110 237 E HA -0.323 4.058 4.350 0.052 0.000 0.193 237 E C 2.563 179.172 176.600 0.015 0.000 0.988 237 E CA 3.828 60.280 56.400 0.085 0.000 0.804 237 E CB -0.773 29.012 29.700 0.143 0.000 0.745 237 E HN 0.367 8.878 8.360 0.270 0.011 0.458 238 I N -0.084 120.516 120.570 0.051 0.000 2.252 238 I HA -0.590 3.656 4.170 0.125 0.000 0.245 238 I C 1.631 177.776 176.117 0.046 0.000 1.102 238 I CA 4.326 65.678 61.300 0.087 0.000 1.385 238 I CB -0.065 37.985 38.000 0.083 0.000 1.064 238 I HN -0.794 7.457 8.210 0.067 0.000 0.414 239 Q N -1.045 118.767 119.800 0.019 0.000 2.020 239 Q HA -0.425 3.952 4.340 0.062 0.000 0.202 239 Q C 2.274 178.303 176.000 0.048 0.000 0.982 239 Q CA 3.677 59.516 55.803 0.060 0.000 0.838 239 Q CB -0.232 28.586 28.738 0.134 0.000 0.899 239 Q HN -0.398 7.884 8.270 0.021 0.000 0.423 240 K N -0.399 119.870 120.400 -0.219 0.000 2.057 240 K HA -0.340 3.897 4.320 -0.137 0.000 0.206 240 K C 2.393 178.963 176.600 -0.051 0.000 1.050 240 K CA 3.193 59.346 56.287 -0.223 0.000 0.935 240 K CB -0.110 32.081 32.500 -0.515 0.000 0.715 240 K HN 0.001 8.014 8.250 -0.395 0.000 0.439 241 S N 0.545 116.219 115.700 -0.044 0.000 2.368 241 S HA -0.271 4.197 4.470 -0.002 0.000 0.224 241 S C 2.279 176.867 174.600 -0.021 0.000 1.029 241 S CA 3.369 61.565 58.200 -0.007 0.000 0.988 241 S CB -0.052 63.160 63.200 0.020 0.000 0.838 241 S HN -0.526 7.749 8.310 -0.057 0.000 0.462 242 L N 1.022 122.212 121.223 -0.054 0.000 2.056 242 L HA -0.341 3.928 4.340 -0.118 0.000 0.207 242 L C 1.938 178.688 176.870 -0.200 0.000 1.078 242 L CA 3.058 57.808 54.840 -0.150 0.000 0.749 242 L CB -0.160 41.766 42.059 -0.220 0.000 0.901 242 L HN -0.364 7.840 8.230 -0.042 0.000 0.433 243 F N -1.412 118.482 119.950 -0.095 0.000 2.134 243 F HA -0.435 4.042 4.527 -0.082 0.000 0.299 243 F C 1.882 177.642 175.800 -0.067 0.000 1.097 243 F CA 4.110 62.051 58.000 -0.098 0.000 1.264 243 F CB -0.795 38.117 39.000 -0.147 0.000 1.001 243 F HN -0.204 8.076 8.300 -0.033 0.000 0.479 244 A N -1.514 121.368 122.820 0.103 0.000 1.933 244 A HA -0.367 3.986 4.320 0.056 0.000 0.218 244 A C 1.679 179.282 177.584 0.031 0.000 1.175 244 A CA 2.863 54.931 52.037 0.052 0.000 0.628 244 A CB -1.117 17.900 19.000 0.028 0.000 0.814 244 A HN -0.072 8.132 8.150 0.091 0.000 0.444 245 A N -1.597 121.227 122.820 0.008 0.000 1.898 245 A HA -0.314 4.003 4.320 -0.004 0.000 0.216 245 A C 1.844 179.436 177.584 0.013 0.000 1.181 245 A CA 2.600 54.633 52.037 -0.008 0.000 0.620 245 A CB -0.435 18.539 19.000 -0.044 0.000 0.819 245 A HN -0.638 7.501 8.150 -0.004 0.008 0.442 246 L N -2.806 118.434 121.223 0.028 0.000 2.079 246 L HA -0.458 3.945 4.340 0.105 0.000 0.210 246 L C 2.712 179.669 176.870 0.145 0.000 1.081 246 L CA 2.742 57.648 54.840 0.110 0.000 0.752 246 L CB -0.578 41.575 42.059 0.157 0.000 0.896 246 L HN -0.256 7.976 8.230 0.003 0.000 0.433 247 N N -2.939 115.817 118.700 0.093 0.000 2.223 247 N HA -0.247 4.529 4.740 0.059 0.000 0.185 247 N C 0.643 176.191 175.510 0.063 0.000 1.016 247 N CA 2.506 55.595 53.050 0.064 0.000 0.863 247 N CB 0.150 38.657 38.487 0.033 0.000 0.983 247 N HN -0.509 7.911 8.380 0.082 0.010 0.429 248 D N -2.168 118.262 120.400 0.051 0.000 2.354 248 D HA 0.047 4.709 4.640 0.037 0.000 0.209 248 D C 0.383 176.705 176.300 0.037 0.000 1.015 248 D CA 0.426 54.448 54.000 0.036 0.000 0.867 248 D CB 0.998 41.809 40.800 0.019 0.000 0.933 248 D HN -0.617 7.655 8.370 0.046 0.126 0.520 249 L N 0.039 121.290 121.223 0.047 0.000 2.350 249 L HA 0.263 4.604 4.340 0.002 0.000 0.275 249 L C -1.220 175.683 176.870 0.055 0.000 1.099 249 L CA -2.133 52.721 54.840 0.024 0.000 0.808 249 L CB 0.781 42.836 42.059 -0.007 0.000 1.149 249 L HN -0.889 7.379 8.230 0.063 0.000 0.442 250 P HA 0.099 4.568 4.420 0.081 0.000 0.230 250 P C -1.664 175.665 177.300 0.048 0.000 1.791 250 P CA -0.889 62.242 63.100 0.051 0.000 1.020 250 P CB -1.999 29.721 31.700 0.033 0.000 1.977 251 V N 2.067 122.019 119.914 0.063 0.000 2.529 251 V HA -0.324 3.788 4.120 -0.014 0.000 0.292 251 V C -0.107 176.008 176.094 0.036 0.000 1.028 251 V CA 1.261 63.564 62.300 0.005 0.000 1.074 251 V CB 0.106 31.859 31.823 -0.116 0.000 0.958 251 V HN -0.431 7.766 8.190 0.112 0.060 0.481 252 K N 7.324 127.838 120.400 0.190 0.000 2.280 252 K HA 0.289 4.596 4.320 -0.021 0.000 0.234 252 K C 0.840 177.335 176.600 -0.175 0.000 1.028 252 K CA -1.812 54.468 56.287 -0.012 0.000 0.882 252 K CB 1.674 34.136 32.500 -0.064 0.000 1.194 252 K HN -0.354 8.274 8.250 0.631 0.000 0.458 253 T N 2.986 117.438 114.554 -0.171 0.000 2.624 253 T HA -0.516 3.735 4.350 -0.165 0.000 0.268 253 T C 1.527 176.097 174.700 -0.216 0.000 1.041 253 T CA 5.687 67.686 62.100 -0.169 0.000 1.159 253 T CB -0.249 68.556 68.868 -0.105 0.000 0.863 253 T HN 0.409 8.575 8.240 -0.123 0.000 0.434 254 E N -0.317 119.705 120.200 -0.296 0.000 2.160 254 E HA -0.339 3.888 4.350 -0.206 0.000 0.195 254 E C 2.312 178.728 176.600 -0.307 0.000 0.991 254 E CA 2.886 59.101 56.400 -0.309 0.000 0.810 254 E CB -0.704 28.779 29.700 -0.362 0.000 0.742 254 E HN 0.666 8.836 8.360 -0.317 0.000 0.466 255 H N 0.114 119.098 119.070 -0.143 0.000 2.403 255 H HA -0.080 4.399 4.556 -0.128 0.000 0.298 255 H C 2.667 177.875 175.328 -0.201 0.000 1.059 255 H CA 2.655 58.607 56.048 -0.160 0.000 1.363 255 H CB 0.169 29.826 29.762 -0.175 0.000 1.410 255 H HN -0.676 7.250 8.280 -0.564 0.016 0.528 256 L N -0.366 120.751 121.223 -0.176 0.000 2.046 256 L HA -0.327 3.845 4.340 -0.280 0.000 0.208 256 L C 1.888 178.677 176.870 -0.134 0.000 1.077 256 L CA 2.882 57.574 54.840 -0.246 0.000 0.747 256 L CB -0.175 41.672 42.059 -0.354 0.000 0.896 256 L HN -0.393 7.710 8.230 -0.212 0.000 0.432 257 K N -1.094 119.237 120.400 -0.115 0.000 2.026 257 K HA -0.323 3.961 4.320 -0.060 0.000 0.208 257 K C 2.528 179.093 176.600 -0.059 0.000 1.048 257 K CA 3.252 59.494 56.287 -0.075 0.000 0.929 257 K CB -0.068 32.387 32.500 -0.076 0.000 0.713 257 K HN -0.249 7.920 8.250 -0.135 0.000 0.439 258 E N -3.354 116.810 120.200 -0.060 0.000 2.274 258 E HA -0.158 4.169 4.350 -0.037 0.000 0.194 258 E C 1.403 177.981 176.600 -0.037 0.000 0.996 258 E CA 2.265 58.640 56.400 -0.041 0.000 0.840 258 E CB -0.003 29.678 29.700 -0.032 0.000 0.772 258 E HN -0.417 7.900 8.360 -0.071 0.000 0.491 259 S N -2.744 112.927 115.700 -0.048 0.000 2.503 259 S HA 0.029 4.473 4.470 -0.043 0.000 0.217 259 S C 1.172 175.751 174.600 -0.036 0.000 0.999 259 S CA -0.012 58.159 58.200 -0.049 0.000 0.914 259 S CB 1.515 64.673 63.200 -0.071 0.000 0.782 259 S HN -0.478 7.797 8.310 -0.059 0.000 0.520 260 G N 1.374 110.154 108.800 -0.033 0.000 2.166 260 G HA2 -0.417 3.539 3.960 -0.005 0.000 0.260 260 G HA3 -0.417 3.542 3.960 -0.001 0.000 0.260 260 G C 0.741 175.647 174.900 0.010 0.000 0.986 260 G CA 1.309 46.404 45.100 -0.008 0.000 0.683 260 G HN -0.166 8.099 8.290 -0.042 0.000 0.527 261 L N 0.429 121.639 121.223 -0.022 0.000 2.131 261 L HA -0.163 4.196 4.340 0.032 0.000 0.210 261 L C 1.068 178.006 176.870 0.114 0.000 1.092 261 L CA 2.107 56.952 54.840 0.009 0.000 0.759 261 L CB -0.405 41.608 42.059 -0.077 0.000 0.903 261 L HN -0.687 7.464 8.230 -0.059 0.043 0.435 262 G N -3.510 105.343 108.800 0.088 0.000 2.442 262 G HA2 -0.403 3.806 3.960 0.415 0.000 0.219 262 G HA3 -0.403 3.665 3.960 0.180 0.000 0.219 262 G C 1.003 176.041 174.900 0.230 0.000 1.141 262 G CA 1.990 47.230 45.100 0.232 0.000 0.763 262 G HN 0.242 8.519 8.290 0.003 0.014 0.554 263 R N 0.824 121.419 120.500 0.157 0.000 2.073 263 R HA -0.318 4.115 4.340 0.156 0.000 0.234 263 R C 2.394 178.827 176.300 0.221 0.000 1.134 263 R CA 3.247 59.440 56.100 0.156 0.000 0.952 263 R CB -0.330 30.029 30.300 0.098 0.000 0.850 263 R HN -0.600 7.725 8.270 0.116 0.015 0.433 264 V N -0.480 119.572 119.914 0.229 0.000 2.453 264 V HA -0.321 3.996 4.120 0.328 0.000 0.247 264 V C 0.992 177.398 176.094 0.520 0.000 1.048 264 V CA 2.665 65.166 62.300 0.335 0.000 1.049 264 V CB -0.167 31.812 31.823 0.260 0.000 0.672 264 V HN -0.605 7.697 8.190 0.187 0.000 0.457 265 V N 0.603 120.765 119.914 0.412 0.000 2.490 265 V HA -0.559 3.879 4.120 0.530 0.000 0.250 265 V C 1.914 178.243 176.094 0.392 0.000 1.061 265 V CA 4.469 67.039 62.300 0.450 0.000 1.064 265 V CB -0.102 31.974 31.823 0.421 0.000 0.670 265 V HN -0.686 7.713 8.190 0.349 0.000 0.461 266 I N -0.482 120.283 120.570 0.324 0.000 2.226 266 I HA -0.478 3.803 4.170 0.185 0.000 0.245 266 I C 2.230 178.494 176.117 0.245 0.000 1.100 266 I CA 3.858 65.300 61.300 0.237 0.000 1.374 266 I CB 0.024 38.141 38.000 0.195 0.000 1.057 266 I HN -0.524 7.877 8.210 0.318 0.000 0.413 267 F N 2.445 122.500 119.950 0.175 0.000 2.126 267 F HA -0.494 4.072 4.527 0.065 0.000 0.299 267 F C 0.774 176.621 175.800 0.078 0.000 1.096 267 F CA 3.843 61.908 58.000 0.108 0.000 1.255 267 F CB -0.054 39.006 39.000 0.100 0.000 0.997 267 F HN -0.817 7.701 8.300 0.494 0.078 0.479 268 Y N -4.537 115.780 120.300 0.028 0.000 2.333 268 Y HA -0.379 4.010 4.550 -0.268 0.000 0.290 268 Y C 1.760 177.562 175.900 -0.164 0.000 1.144 268 Y CA 3.357 61.401 58.100 -0.094 0.000 1.228 268 Y CB -0.354 38.206 38.460 0.166 0.000 0.985 268 Y HN -0.440 8.139 8.280 0.645 0.088 0.542 269 T N -6.652 107.915 114.554 0.021 0.000 3.118 269 T HA -0.043 4.277 4.350 -0.049 0.000 0.260 269 T C 0.890 175.532 174.700 -0.096 0.000 1.139 269 T CA 1.826 63.904 62.100 -0.037 0.000 1.085 269 T CB -0.296 68.570 68.868 -0.003 0.000 0.934 269 T HN -0.436 7.729 8.240 0.086 0.126 0.518 270 K N 0.377 120.669 120.400 -0.181 0.000 2.424 270 K HA 0.185 4.433 4.320 -0.120 0.000 0.198 270 K C -0.296 176.137 176.600 -0.278 0.000 1.190 270 K CA 0.484 56.662 56.287 -0.182 0.000 0.935 270 K CB 1.978 34.406 32.500 -0.121 0.000 1.087 270 K HN -0.388 7.529 8.250 -0.253 0.181 0.524 271 S N 0.829 116.212 115.700 -0.528 0.000 2.533 271 S HA -0.058 4.157 4.470 -0.425 0.000 0.282 271 S C 1.262 175.691 174.600 -0.284 0.000 1.304 271 S CA -0.470 57.405 58.200 -0.541 0.000 1.063 271 S CB 0.639 63.227 63.200 -1.021 0.000 0.881 271 S HN -0.497 7.395 8.310 -0.696 0.000 0.493 272 K N 6.442 126.738 120.400 -0.173 0.000 2.555 272 K HA -0.120 4.141 4.320 -0.098 0.000 0.193 272 K C 0.845 177.395 176.600 -0.084 0.000 1.032 272 K CA 1.549 57.774 56.287 -0.103 0.000 1.004 272 K CB -0.460 32.002 32.500 -0.064 0.000 0.804 272 K HN 0.587 8.745 8.250 -0.153 0.000 0.496 273 R N -2.617 117.821 120.500 -0.105 0.000 2.334 273 R HA 0.008 4.330 4.340 -0.030 0.000 0.216 273 R C -0.090 176.188 176.300 -0.036 0.000 0.905 273 R CA -0.176 55.892 56.100 -0.053 0.000 1.064 273 R CB 0.855 31.139 30.300 -0.025 0.000 1.046 273 R HN -0.628 7.486 8.270 -0.155 0.063 0.508 274 V N 1.021 120.886 119.914 -0.081 0.000 2.546 274 V HA -0.136 4.020 4.120 0.059 0.000 0.284 274 V C -0.303 175.810 176.094 0.030 0.000 1.050 274 V CA -0.127 62.168 62.300 -0.009 0.000 0.981 274 V CB 0.882 32.668 31.823 -0.062 0.000 0.990 274 V HN -0.894 7.213 8.190 -0.137 0.000 0.474 275 E N 5.240 125.506 120.200 0.110 0.000 2.414 275 E HA -0.115 4.272 4.350 0.062 0.000 0.263 275 E C 0.656 177.286 176.600 0.050 0.000 1.000 275 E CA 0.031 56.493 56.400 0.102 0.000 0.914 275 E CB 1.130 30.964 29.700 0.224 0.000 0.948 275 E HN 0.132 8.598 8.360 0.177 0.000 0.444 276 A N 5.329 128.160 122.820 0.018 0.000 1.903 276 A HA -0.376 3.930 4.320 -0.024 0.000 0.219 276 A C 1.375 178.949 177.584 -0.018 0.000 1.191 276 A CA 3.837 55.868 52.037 -0.010 0.000 0.638 276 A CB -0.153 18.840 19.000 -0.012 0.000 0.823 276 A HN 0.505 8.665 8.150 0.016 0.000 0.451 277 Q N -2.507 117.299 119.800 0.010 0.000 2.135 277 Q HA -0.288 4.038 4.340 -0.024 0.000 0.204 277 Q C 2.091 178.050 176.000 -0.069 0.000 0.981 277 Q CA 2.617 58.416 55.803 -0.007 0.000 0.856 277 Q CB -1.190 27.574 28.738 0.043 0.000 0.902 277 Q HN 0.211 8.502 8.270 0.035 0.000 0.425 278 L N -0.465 120.715 121.223 -0.072 0.000 2.156 278 L HA -0.195 3.941 4.340 -0.340 0.000 0.208 278 L C 1.953 178.626 176.870 -0.329 0.000 1.095 278 L CA 1.809 56.495 54.840 -0.256 0.000 0.770 278 L CB -0.746 41.194 42.059 -0.199 0.000 0.914 278 L HN -0.517 7.715 8.230 0.004 0.000 0.439 279 A N 0.290 123.017 122.820 -0.155 0.000 1.908 279 A HA -0.316 3.927 4.320 -0.128 0.000 0.218 279 A C 2.113 179.603 177.584 -0.155 0.000 1.181 279 A CA 3.026 54.984 52.037 -0.133 0.000 0.627 279 A CB -0.715 18.236 19.000 -0.081 0.000 0.818 279 A HN 0.080 8.176 8.150 -0.090 0.000 0.445 280 R N -2.245 118.175 120.500 -0.133 0.000 2.096 280 R HA -0.249 4.204 4.340 -0.103 -0.175 0.235 280 R C 2.684 178.886 176.300 -0.163 0.000 1.127 280 R CA 2.907 58.935 56.100 -0.119 0.000 0.968 280 R CB -0.212 30.038 30.300 -0.083 0.000 0.861 280 R HN -0.273 7.929 8.270 -0.114 0.000 0.440 281 L N -0.888 120.198 121.223 -0.228 0.000 2.012 281 L HA -0.344 3.882 4.340 -0.189 0.000 0.210 281 L C 1.686 178.370 176.870 -0.309 0.000 1.073 281 L CA 3.153 57.832 54.840 -0.269 0.000 0.748 281 L CB -0.592 41.254 42.059 -0.355 0.000 0.891 281 L HN -0.371 7.638 8.230 -0.240 0.077 0.431 282 A N -1.873 120.699 122.820 -0.413 0.000 1.902 282 A HA -0.380 3.831 4.320 -0.182 0.000 0.217 282 A C 2.206 179.690 177.584 -0.166 0.000 1.181 282 A CA 3.266 55.150 52.037 -0.254 0.000 0.623 282 A CB -0.902 17.995 19.000 -0.172 0.000 0.818 282 A HN 0.021 7.878 8.150 -0.488 0.000 0.443 283 E N -1.643 118.471 120.200 -0.143 0.000 2.085 283 E HA -0.443 3.856 4.350 -0.085 0.000 0.194 283 E C 2.246 178.761 176.600 -0.142 0.000 0.994 283 E CA 3.338 59.672 56.400 -0.110 0.000 0.801 283 E CB -0.267 29.383 29.700 -0.084 0.000 0.743 283 E HN -0.321 7.950 8.360 -0.148 0.000 0.453 284 K N -0.203 120.099 120.400 -0.162 0.000 2.148 284 K HA -0.251 3.989 4.320 -0.134 0.000 0.204 284 K C 2.359 178.797 176.600 -0.269 0.000 1.050 284 K CA 2.947 59.134 56.287 -0.167 0.000 0.942 284 K CB -0.082 32.336 32.500 -0.136 0.000 0.724 284 K HN -0.520 7.633 8.250 -0.162 0.000 0.446 285 L N -0.757 120.228 121.223 -0.397 0.000 2.027 285 L HA -0.279 3.574 4.340 -0.811 0.000 0.206 285 L C 2.334 178.636 176.870 -0.947 0.000 1.074 285 L CA 2.984 57.325 54.840 -0.831 0.000 0.745 285 L CB -0.048 41.413 42.059 -0.996 0.000 0.898 285 L HN -0.409 7.618 8.230 -0.339 0.000 0.433 286 I N -1.230 119.045 120.570 -0.491 0.000 2.163 286 I HA -0.535 3.611 4.170 -0.041 0.000 0.243 286 I C 2.228 178.301 176.117 -0.073 0.000 1.085 286 I CA 2.477 63.683 61.300 -0.157 0.000 1.347 286 I CB -1.779 36.204 38.000 -0.028 0.000 1.044 286 I HN -0.382 7.598 8.210 -0.384 0.000 0.408 287 A N 0.177 122.935 122.820 -0.102 0.000 1.892 287 A HA -0.297 4.015 4.320 -0.014 0.000 0.218 287 A C 2.475 180.041 177.584 -0.029 0.000 1.188 287 A CA 2.898 54.906 52.037 -0.049 0.000 0.631 287 A CB -0.563 18.402 19.000 -0.059 0.000 0.822 287 A HN -0.174 7.898 8.150 -0.130 0.000 0.447 288 E N -1.593 118.549 120.200 -0.096 0.000 2.051 288 E HA -0.273 4.083 4.350 0.010 0.000 0.192 288 E C 2.964 179.648 176.600 0.140 0.000 0.991 288 E CA 3.016 59.402 56.400 -0.023 0.000 0.799 288 E CB -0.028 29.619 29.700 -0.089 0.000 0.748 288 E HN -0.622 7.628 8.360 -0.185 0.000 0.449 289 W N -3.488 117.830 121.300 0.030 0.000 2.425 289 W HA -0.026 4.651 4.660 0.029 0.000 0.277 289 W C 1.373 177.907 176.519 0.025 0.000 1.231 289 W CA 1.332 58.695 57.345 0.030 0.000 1.248 289 W CB -0.414 29.069 29.460 0.038 0.000 1.117 289 W HN 0.071 8.232 8.180 -0.032 0.000 0.568 290 T N -7.402 107.293 114.554 0.234 0.000 3.100 290 T HA 0.033 4.473 4.350 0.149 0.000 0.253 290 T C 0.934 175.692 174.700 0.097 0.000 1.118 290 T CA 0.488 62.675 62.100 0.146 0.000 1.058 290 T CB 0.359 69.292 68.868 0.108 0.000 0.953 290 T HN -0.464 7.866 8.240 0.192 0.025 0.515 291 R N 1.223 121.780 120.500 0.095 0.000 2.189 291 R HA 0.060 4.431 4.340 0.051 0.000 0.223 291 R C -1.556 174.778 176.300 0.057 0.000 1.092 291 R CA 1.739 57.877 56.100 0.064 0.000 0.989 291 R CB -0.724 29.611 30.300 0.058 0.000 0.876 291 R HN -0.479 7.805 8.270 0.117 0.056 0.457 292 P HA 0.000 4.443 4.420 0.039 0.000 0.216 292 P CA 0.000 63.127 63.100 0.046 0.000 0.800 292 P CB 0.000 31.727 31.700 0.045 0.000 0.726