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 2oii_1_B DATA FIRST_RESID 846 DATA SEQUENCE PVPQVAFSAA LSLPRSEPGT VPFDRVLLND GGYYDPETGV FTAPLAGRYL DATA SEQUENCE LSAVLTGHRH EKVEAVLSRS NQGVARVDSG GXXXXXXXXX XXXXXXXXXX DATA SEQUENCE TLGVFSLILP LQAGDTVCVD LVMGQLAHSE EPLTIFSGAL LYGDPELEHA 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 846 P HA 0.000 nan 4.420 nan 0.000 0.216 846 P C 0.000 177.277 177.300 -0.038 0.000 1.155 846 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 846 P CB 0.000 31.689 31.700 -0.018 0.000 0.726 847 V N 1.326 121.224 119.914 -0.028 0.000 2.380 847 V HA 0.283 4.368 4.120 -0.059 0.000 0.286 847 V C -0.471 175.611 176.094 -0.021 0.000 1.015 847 V CA -1.320 60.960 62.300 -0.035 0.000 0.834 847 V CB 2.141 33.951 31.823 -0.021 0.000 1.009 847 V HN 0.098 8.278 8.190 -0.016 0.000 0.428 848 P HA -0.022 4.401 4.420 0.005 0.000 0.223 848 P C -0.687 176.614 177.300 0.001 0.000 1.151 848 P CA 0.203 63.295 63.100 -0.014 0.000 0.787 848 P CB 0.836 32.513 31.700 -0.038 0.000 0.788 849 Q N -0.773 119.022 119.800 -0.008 0.000 2.402 849 Q HA -0.274 4.066 4.340 0.001 0.000 0.370 849 Q C -1.608 174.411 176.000 0.032 0.000 1.334 849 Q CA 0.397 56.206 55.803 0.009 0.000 1.151 849 Q CB -0.628 28.121 28.738 0.018 0.000 1.324 849 Q HN 0.137 8.348 8.270 -0.024 0.044 0.332 850 V N -0.550 119.374 119.914 0.017 0.000 2.495 850 V HA 0.145 4.332 4.120 0.113 0.000 0.298 850 V C -2.247 173.880 176.094 0.054 0.000 1.031 850 V CA -1.361 60.968 62.300 0.049 0.000 0.871 850 V CB 1.775 33.550 31.823 -0.079 0.000 0.988 850 V HN -0.385 7.801 8.190 -0.008 0.000 0.432 851 A N 5.175 128.059 122.820 0.107 0.000 2.454 851 A HA 0.474 4.689 4.320 -0.175 0.000 0.302 851 A C -2.303 175.374 177.584 0.155 0.000 1.079 851 A CA -1.228 50.805 52.037 -0.007 0.000 0.731 851 A CB 3.519 22.515 19.000 -0.008 0.000 1.299 851 A HN 0.554 8.806 8.150 0.169 0.000 0.413 852 F N -5.155 114.877 119.950 0.137 0.000 2.635 852 F HA 0.930 5.775 4.527 0.214 -0.189 0.314 852 F C -2.329 173.641 175.800 0.283 0.000 1.119 852 F CA -1.421 56.720 58.000 0.235 0.000 1.000 852 F CB 2.938 42.129 39.000 0.319 0.000 1.278 852 F HN -0.323 7.542 8.300 -0.725 0.000 0.446 853 S N 1.360 117.333 115.700 0.454 0.000 2.583 853 S HA 0.340 5.309 4.470 0.544 -0.173 0.294 853 S C -2.417 172.373 174.600 0.317 0.000 1.121 853 S CA 0.040 58.470 58.200 0.384 0.000 0.910 853 S CB 1.775 65.084 63.200 0.182 0.000 1.102 853 S HN -0.047 8.510 8.310 0.411 0.000 0.451 854 A N 4.641 127.654 122.820 0.321 0.000 2.498 854 A HA 0.916 5.563 4.320 0.282 -0.159 0.298 854 A C -2.667 175.073 177.584 0.261 0.000 1.075 854 A CA -1.519 50.692 52.037 0.289 0.000 0.714 854 A CB 4.230 23.391 19.000 0.268 0.000 1.299 854 A HN -0.262 8.123 8.150 0.391 0.000 0.407 855 A N -0.728 122.234 122.820 0.238 0.000 2.365 855 A HA 0.532 4.960 4.320 0.180 0.000 0.318 855 A C -2.490 175.200 177.584 0.176 0.000 1.091 855 A CA -1.333 50.813 52.037 0.182 0.000 0.763 855 A CB 3.075 22.153 19.000 0.131 0.000 1.248 855 A HN -0.068 8.229 8.150 0.245 0.000 0.442 856 L N 0.529 121.844 121.223 0.153 0.000 2.317 856 L HA 0.408 4.827 4.340 0.131 0.000 0.281 856 L C -0.722 176.200 176.870 0.087 0.000 1.024 856 L CA -1.116 53.801 54.840 0.128 0.000 0.810 856 L CB 2.096 44.237 42.059 0.138 0.000 1.240 856 L HN 0.387 8.704 8.230 0.145 0.000 0.427 857 S N 3.987 119.727 115.700 0.066 0.000 3.004 857 S HA 0.045 4.545 4.470 0.051 0.000 0.244 857 S C -0.469 174.153 174.600 0.037 0.000 0.870 857 S CA -0.738 57.491 58.200 0.049 0.000 1.267 857 S CB 0.544 63.771 63.200 0.045 0.000 1.208 857 S HN 0.209 8.556 8.310 0.062 0.000 0.624 858 L N -0.647 120.597 121.223 0.036 0.000 2.587 858 L HA -0.112 4.238 4.340 0.015 0.000 0.315 858 L C -0.456 176.427 176.870 0.022 0.000 1.288 858 L CA 0.225 55.079 54.840 0.024 0.000 0.849 858 L CB -0.909 41.166 42.059 0.027 0.000 1.080 858 L HN -0.611 7.646 8.230 0.044 0.000 0.541 859 P HA -0.093 4.336 4.420 0.015 0.000 0.199 859 P C -0.682 176.629 177.300 0.018 0.000 1.146 859 P CA 1.387 64.496 63.100 0.015 0.000 0.905 859 P CB 0.572 32.278 31.700 0.010 0.000 0.737 860 R N -1.265 119.245 120.500 0.016 0.000 3.361 860 R HA 0.124 4.477 4.340 0.022 0.000 0.188 860 R C -1.182 175.129 176.300 0.019 0.000 1.441 860 R CA -0.792 55.319 56.100 0.018 0.000 0.810 860 R CB 0.626 30.935 30.300 0.014 0.000 1.658 860 R HN -0.524 7.753 8.270 0.013 0.000 0.483 861 S N 1.466 117.177 115.700 0.017 0.000 2.931 861 S HA -0.191 4.291 4.470 0.020 0.000 0.342 861 S C -0.012 174.597 174.600 0.016 0.000 1.220 861 S CA 1.163 59.373 58.200 0.016 0.000 1.045 861 S CB -0.076 63.131 63.200 0.011 0.000 0.758 861 S HN 0.001 8.320 8.310 0.016 0.000 0.508 862 E N 6.290 126.502 120.200 0.019 0.000 2.227 862 E HA 0.205 4.563 4.350 0.014 0.000 0.268 862 E C -0.988 175.621 176.600 0.015 0.000 0.990 862 E CA -2.842 53.569 56.400 0.018 0.000 0.856 862 E CB 1.042 30.757 29.700 0.025 0.000 1.159 862 E HN 0.038 8.412 8.360 0.023 0.000 0.401 863 P HA 0.008 4.431 4.420 0.007 0.000 0.229 863 P C -1.055 176.252 177.300 0.012 0.000 1.160 863 P CA 0.153 63.258 63.100 0.009 0.000 0.777 863 P CB 0.567 32.270 31.700 0.006 0.000 0.814 864 G N -1.092 107.719 108.800 0.018 0.000 2.565 864 G HA2 -0.006 3.967 3.960 0.021 0.000 0.142 864 G HA3 -0.006 3.966 3.960 0.019 0.000 0.142 864 G C -1.845 173.073 174.900 0.030 0.000 1.181 864 G CA -0.075 45.038 45.100 0.022 0.000 1.066 864 G HN -0.562 7.685 8.290 0.019 0.055 0.530 865 T N 1.741 116.315 114.554 0.033 0.000 2.856 865 T HA 0.005 4.383 4.350 0.047 0.000 0.306 865 T C 0.113 174.842 174.700 0.048 0.000 1.062 865 T CA 0.792 62.917 62.100 0.042 0.000 1.083 865 T CB 0.470 69.362 68.868 0.040 0.000 0.984 865 T HN -0.196 8.061 8.240 0.029 0.000 0.542 866 V N -0.208 119.741 119.914 0.059 0.000 2.509 866 V HA 0.487 4.847 4.120 0.058 -0.204 0.284 866 V C -1.058 175.097 176.094 0.100 0.000 1.047 866 V CA -3.343 58.999 62.300 0.071 0.000 0.952 866 V CB 0.350 32.219 31.823 0.076 0.000 0.988 866 V HN 0.135 8.362 8.190 0.062 0.000 0.469 867 P HA 0.296 4.864 4.420 0.247 0.000 0.344 867 P C -1.913 175.572 177.300 0.307 0.000 1.321 867 P CA -0.861 62.359 63.100 0.200 0.000 0.773 867 P CB 0.978 32.727 31.700 0.082 0.000 1.723 868 F N -4.834 115.104 119.950 -0.020 0.000 2.607 868 F HA 0.254 4.790 4.527 0.014 0.000 0.322 868 F C -1.393 174.401 175.800 -0.009 0.000 1.176 868 F CA -1.765 56.232 58.000 -0.004 0.000 0.977 868 F CB 1.518 40.512 39.000 -0.010 0.000 1.242 868 F HN -0.267 8.051 8.300 0.029 0.000 0.465 869 D N 2.291 122.617 120.400 -0.123 0.000 2.433 869 D HA 0.064 4.486 4.640 -0.363 0.000 0.211 869 D C 0.020 176.280 176.300 -0.066 0.000 1.114 869 D CA -0.609 53.276 54.000 -0.192 0.000 0.837 869 D CB 0.620 41.350 40.800 -0.116 0.000 0.984 869 D HN 0.400 8.776 8.370 0.011 0.000 0.505 870 R N 1.272 121.797 120.500 0.041 0.000 2.593 870 R HA 0.232 4.596 4.340 0.039 0.000 0.282 870 R C -0.929 175.441 176.300 0.116 0.000 1.300 870 R CA -1.478 54.666 56.100 0.073 0.000 1.221 870 R CB -1.086 29.272 30.300 0.097 0.000 1.157 870 R HN -0.562 7.764 8.270 0.093 0.000 0.555 871 V N 5.127 125.087 119.914 0.078 0.000 2.364 871 V HA -0.116 4.111 4.120 0.177 0.000 0.252 871 V C -0.211 175.943 176.094 0.101 0.000 1.075 871 V CA 0.693 63.059 62.300 0.110 0.000 1.033 871 V CB -1.293 30.566 31.823 0.060 0.000 1.116 871 V HN 0.168 8.377 8.190 0.031 0.000 0.488 872 L N 8.432 129.730 121.223 0.125 0.000 2.168 872 L HA 0.027 4.414 4.340 0.078 0.000 0.203 872 L C -0.169 176.758 176.870 0.094 0.000 1.078 872 L CA 1.604 56.503 54.840 0.098 0.000 0.780 872 L CB 1.009 43.132 42.059 0.107 0.000 0.939 872 L HN 0.215 8.542 8.230 0.161 0.000 0.451 873 L N -1.941 119.355 121.223 0.121 0.000 2.973 873 L HA 0.085 4.483 4.340 0.097 0.000 0.254 873 L C -2.680 174.289 176.870 0.166 0.000 0.947 873 L CA 0.747 55.654 54.840 0.113 0.000 1.064 873 L CB 2.101 44.208 42.059 0.080 0.000 1.534 873 L HN -0.635 7.687 8.230 0.153 0.000 0.504 874 N N 2.824 121.627 118.700 0.173 0.000 4.099 874 N HA 0.126 5.302 4.740 0.301 -0.256 0.152 874 N C -0.668 174.942 175.510 0.166 0.000 1.436 874 N CA -0.182 53.012 53.050 0.239 0.000 0.953 874 N CB -0.110 38.545 38.487 0.281 0.000 1.748 874 N HN -0.178 8.284 8.380 0.136 0.000 0.751 875 D N 1.257 121.745 120.400 0.147 0.000 2.097 875 D HA -0.105 4.566 4.640 0.053 0.000 0.197 875 D C 1.010 177.311 176.300 0.001 0.000 0.984 875 D CA 1.890 55.934 54.000 0.073 0.000 0.826 875 D CB -0.471 40.373 40.800 0.075 0.000 0.973 875 D HN 0.287 8.760 8.370 0.173 0.000 0.460 876 G N -1.321 107.474 108.800 -0.007 0.000 2.448 876 G HA2 -0.085 3.645 3.960 -0.383 0.000 0.218 876 G HA3 -0.085 3.319 3.960 -0.926 0.000 0.218 876 G C 0.628 175.207 174.900 -0.536 0.000 1.135 876 G CA 0.257 45.077 45.100 -0.468 0.000 0.784 876 G HN 0.266 8.670 8.290 0.190 0.000 0.543 877 G N 0.637 109.353 108.800 -0.139 0.000 4.148 877 G HA2 -0.442 3.494 3.960 -0.040 0.000 0.221 877 G HA3 -0.442 3.394 3.960 -0.206 0.000 0.221 877 G C 0.155 174.976 174.900 -0.132 0.000 1.373 877 G CA 0.929 45.948 45.100 -0.134 0.000 0.940 877 G HN -0.377 7.952 8.290 0.103 0.023 0.610 878 Y N -1.817 118.349 120.300 -0.223 0.000 2.723 878 Y HA -0.523 3.899 4.550 -0.212 0.000 0.485 878 Y C -0.947 174.677 175.900 -0.458 0.000 1.075 878 Y CA 3.289 61.209 58.100 -0.300 0.000 3.005 878 Y CB -1.253 37.005 38.460 -0.336 0.000 0.954 878 Y HN 0.130 7.944 8.280 -0.656 0.072 0.570 879 Y N -2.047 117.818 120.300 -0.725 0.000 2.478 879 Y HA 0.414 4.673 4.550 -0.720 -0.141 0.329 879 Y C -0.879 174.648 175.900 -0.622 0.000 0.967 879 Y CA -2.786 54.748 58.100 -0.944 0.000 1.255 879 Y CB 0.800 37.942 38.460 -2.197 0.000 1.103 879 Y HN -0.255 7.756 8.280 -0.346 0.062 0.497 880 D N 7.150 127.213 120.400 -0.562 0.000 2.363 880 D HA 0.143 4.406 4.640 -0.629 0.000 0.263 880 D C -0.378 175.609 176.300 -0.523 0.000 1.258 880 D CA -0.405 53.282 54.000 -0.521 0.000 0.907 880 D CB 1.465 42.117 40.800 -0.248 0.000 1.107 880 D HN -0.164 7.983 8.370 -0.372 0.000 0.495 881 P HA 0.094 4.268 4.420 -0.411 0.000 0.245 881 P C -0.712 176.451 177.300 -0.229 0.000 1.212 881 P CA 1.064 63.854 63.100 -0.517 0.000 0.774 881 P CB -0.149 31.139 31.700 -0.686 0.000 0.999 882 E N -1.392 118.721 120.200 -0.144 0.000 2.158 882 E HA -0.160 4.217 4.350 0.045 0.000 0.191 882 E C 0.849 177.436 176.600 -0.023 0.000 0.982 882 E CA 1.973 58.374 56.400 0.002 0.000 0.823 882 E CB 0.067 29.810 29.700 0.071 0.000 0.766 882 E HN 0.304 8.459 8.360 -0.212 0.079 0.468 883 T N -6.955 107.564 114.554 -0.057 0.000 2.971 883 T HA 0.256 4.596 4.350 -0.016 0.000 0.252 883 T C 1.190 175.866 174.700 -0.040 0.000 1.022 883 T CA -0.402 61.677 62.100 -0.036 0.000 0.980 883 T CB 1.996 70.843 68.868 -0.036 0.000 1.044 883 T HN -0.682 7.478 8.240 -0.099 0.021 0.501 884 G N 1.918 110.667 108.800 -0.084 0.000 2.184 884 G HA2 -0.346 3.554 3.960 -0.114 0.000 0.264 884 G HA3 -0.346 3.602 3.960 -0.020 0.000 0.264 884 G C -0.626 174.279 174.900 0.007 0.000 0.975 884 G CA 0.403 45.470 45.100 -0.056 0.000 0.642 884 G HN 0.297 8.326 8.290 -0.139 0.178 0.536 885 V N 2.464 122.367 119.914 -0.018 0.000 2.377 885 V HA -0.201 3.955 4.120 0.061 0.000 0.254 885 V C -1.289 174.834 176.094 0.049 0.000 1.060 885 V CA 1.292 63.607 62.300 0.025 0.000 1.068 885 V CB -0.928 30.890 31.823 -0.010 0.000 1.113 885 V HN -0.787 7.293 8.190 -0.054 0.077 0.484 886 F N 10.306 130.245 119.950 -0.019 0.000 2.404 886 F HA 0.188 4.741 4.527 0.043 0.000 0.359 886 F C -1.506 174.290 175.800 -0.006 0.000 1.134 886 F CA -1.633 56.367 58.000 -0.000 0.000 1.160 886 F CB 1.169 40.155 39.000 -0.024 0.000 1.186 886 F HN -0.109 8.349 8.300 0.263 0.000 0.526 887 T N 11.525 126.166 114.554 0.146 0.000 2.811 887 T HA 0.240 4.847 4.350 0.180 -0.149 0.309 887 T C -1.596 173.225 174.700 0.202 0.000 1.005 887 T CA -0.339 61.858 62.100 0.162 0.000 0.955 887 T CB 0.047 68.954 68.868 0.064 0.000 0.970 887 T HN -0.360 7.843 8.240 -0.063 0.000 0.496 888 A N 7.576 130.567 122.820 0.286 0.000 2.294 888 A HA 0.547 4.959 4.320 0.153 0.000 0.316 888 A C -1.435 176.199 177.584 0.083 0.000 1.359 888 A CA -3.525 48.635 52.037 0.206 0.000 0.956 888 A CB 0.590 19.730 19.000 0.234 0.000 1.155 888 A HN -0.102 8.222 8.150 0.290 0.000 0.544 889 P HA 0.055 4.500 4.420 0.042 0.000 0.252 889 P C -0.093 177.199 177.300 -0.015 0.000 1.218 889 P CA 1.138 64.255 63.100 0.028 0.000 0.807 889 P CB -0.010 31.727 31.700 0.061 0.000 1.072 890 L N -1.985 119.199 121.223 -0.065 0.000 2.054 890 L HA -0.338 3.945 4.340 -0.096 0.000 0.220 890 L C 0.224 177.088 176.870 -0.010 0.000 1.081 890 L CA 1.090 55.893 54.840 -0.062 0.000 0.780 890 L CB -0.440 41.584 42.059 -0.058 0.000 0.893 890 L HN -0.338 7.786 8.230 -0.102 0.045 0.438 891 A N -3.531 119.300 122.820 0.019 0.000 1.597 891 A HA -0.312 4.031 4.320 0.038 0.000 0.206 891 A C -0.801 176.805 177.584 0.036 0.000 1.281 891 A CA 0.380 52.435 52.037 0.029 0.000 0.662 891 A CB -0.548 18.461 19.000 0.015 0.000 1.153 891 A HN 0.126 8.289 8.150 0.026 0.003 0.200 892 G N 1.451 110.291 108.800 0.068 0.000 2.441 892 G HA2 -0.039 4.154 3.960 0.106 0.000 0.222 892 G HA3 -0.039 4.089 3.960 0.085 -0.117 0.222 892 G C -2.267 172.713 174.900 0.133 0.000 1.254 892 G CA -0.096 45.064 45.100 0.100 0.000 0.959 892 G HN -0.218 8.115 8.290 0.073 0.000 0.474 893 R N 2.894 123.501 120.500 0.178 0.000 2.387 893 R HA 0.475 4.874 4.340 0.100 0.000 0.314 893 R C -2.122 174.300 176.300 0.203 0.000 0.958 893 R CA -1.146 55.042 56.100 0.147 0.000 0.846 893 R CB 2.306 32.681 30.300 0.124 0.000 1.147 893 R HN -0.118 8.286 8.270 0.224 0.000 0.447 894 Y N 3.960 124.287 120.300 0.045 0.000 2.545 894 Y HA 0.142 4.720 4.550 0.046 0.000 0.348 894 Y C -2.678 173.236 175.900 0.023 0.000 1.002 894 Y CA -2.435 55.694 58.100 0.048 0.000 1.039 894 Y CB 2.911 41.427 38.460 0.094 0.000 1.271 894 Y HN 0.187 8.541 8.280 0.124 0.000 0.467 895 L N 3.752 124.909 121.223 -0.111 0.000 2.255 895 L HA 0.277 4.415 4.340 -0.337 0.000 0.289 895 L C -2.067 174.527 176.870 -0.459 0.000 1.046 895 L CA -1.044 53.618 54.840 -0.296 0.000 0.816 895 L CB 1.590 43.604 42.059 -0.073 0.000 1.197 895 L HN -0.058 8.345 8.230 0.288 0.000 0.427 896 L N 5.648 126.484 121.223 -0.645 0.000 2.325 896 L HA 0.320 4.636 4.340 -0.040 0.000 0.278 896 L C -1.084 175.655 176.870 -0.218 0.000 1.023 896 L CA -0.355 54.265 54.840 -0.367 0.000 0.811 896 L CB 1.937 43.712 42.059 -0.473 0.000 1.249 896 L HN 0.148 8.019 8.230 -0.598 0.000 0.431 897 S N 4.027 119.603 115.700 -0.206 0.000 2.720 897 S HA 0.291 4.653 4.470 -0.180 0.000 0.278 897 S C -1.829 172.585 174.600 -0.311 0.000 1.172 897 S CA -0.333 57.743 58.200 -0.206 0.000 1.019 897 S CB 2.607 65.726 63.200 -0.135 0.000 1.049 897 S HN -0.101 8.090 8.310 -0.198 0.000 0.483 898 A N 4.586 127.233 122.820 -0.288 0.000 2.325 898 A HA 0.451 4.511 4.320 -0.434 0.000 0.333 898 A C -0.975 176.528 177.584 -0.135 0.000 1.155 898 A CA -1.498 50.363 52.037 -0.294 0.000 0.814 898 A CB 2.160 21.015 19.000 -0.242 0.000 1.206 898 A HN 0.179 8.198 8.150 -0.219 0.000 0.482 899 V N 1.476 121.344 119.914 -0.076 0.000 2.406 899 V HA 0.022 4.115 4.120 -0.045 0.000 0.272 899 V C -0.669 175.408 176.094 -0.029 0.000 1.043 899 V CA -0.166 62.112 62.300 -0.037 0.000 0.915 899 V CB 0.636 32.456 31.823 -0.005 0.000 0.988 899 V HN -0.002 8.151 8.190 -0.060 0.000 0.466 900 L N 8.999 130.200 121.223 -0.036 0.000 2.261 900 L HA 0.160 4.477 4.340 -0.038 0.000 0.289 900 L C 0.130 176.972 176.870 -0.047 0.000 1.059 900 L CA -0.875 53.941 54.840 -0.039 0.000 0.816 900 L CB -1.252 40.786 42.059 -0.036 0.000 1.191 900 L HN 0.319 8.526 8.230 -0.038 0.000 0.431 901 T N 6.361 120.864 114.554 -0.085 0.000 2.930 901 T HA 0.033 4.327 4.350 -0.093 0.000 0.306 901 T C 0.588 175.239 174.700 -0.082 0.000 1.045 901 T CA 0.800 62.816 62.100 -0.141 0.000 1.134 901 T CB 1.437 70.096 68.868 -0.348 0.000 0.961 901 T HN 0.173 8.361 8.240 -0.088 0.000 0.545 902 G N 1.466 110.261 108.800 -0.008 0.000 2.505 902 G HA2 -0.166 3.819 3.960 0.041 0.000 0.214 902 G HA3 -0.166 3.839 3.960 0.075 0.000 0.214 902 G C -0.567 174.436 174.900 0.170 0.000 1.237 902 G CA 0.349 45.488 45.100 0.065 0.000 0.802 902 G HN 0.153 8.441 8.290 -0.004 0.000 0.549 903 H N -0.396 118.697 119.070 0.038 0.000 2.604 903 H HA -0.187 4.405 4.556 0.061 0.000 0.324 903 H C 0.696 176.063 175.328 0.066 0.000 1.068 903 H CA -0.361 55.722 56.048 0.058 0.000 1.091 903 H CB -0.429 29.370 29.762 0.062 0.000 1.611 903 H HN 0.112 8.595 8.280 0.339 0.000 0.387 904 R N -1.419 119.165 120.500 0.140 0.000 2.328 904 R HA -0.233 4.152 4.340 0.075 0.000 0.207 904 R C -0.111 176.237 176.300 0.080 0.000 1.056 904 R CA 1.313 57.465 56.100 0.087 0.000 1.016 904 R CB -0.495 29.841 30.300 0.061 0.000 0.872 904 R HN 0.174 8.521 8.270 0.130 0.000 0.471 905 H N 1.053 120.107 119.070 -0.028 0.000 2.568 905 H HA -0.121 4.400 4.556 -0.059 0.000 0.281 905 H C -0.594 174.719 175.328 -0.025 0.000 1.028 905 H CA 0.625 56.639 56.048 -0.056 0.000 1.199 905 H CB -0.801 28.890 29.762 -0.119 0.000 1.352 905 H HN -0.300 8.004 8.280 0.156 0.069 0.605 906 E N -3.932 116.229 120.200 -0.066 0.000 6.317 906 E HA -0.183 4.151 4.350 -0.044 -0.010 0.457 906 E C -1.843 174.746 176.600 -0.018 0.000 1.396 906 E CA 0.477 56.826 56.400 -0.085 0.000 2.717 906 E CB -0.778 28.808 29.700 -0.189 0.000 1.362 906 E HN -0.723 7.547 8.360 0.020 0.102 0.383 907 K N -1.650 118.738 120.400 -0.021 0.000 8.238 907 K HA -0.242 4.083 4.320 0.008 0.000 0.897 907 K C -2.605 174.010 176.600 0.025 0.000 2.567 907 K CA 0.480 56.777 56.287 0.018 0.000 1.539 907 K CB 0.344 32.880 32.500 0.060 0.000 2.089 907 K HN 0.041 8.264 8.250 -0.045 0.000 0.344 908 V N 0.264 120.194 119.914 0.026 0.000 2.407 908 V HA 0.121 4.252 4.120 0.018 0.000 0.291 908 V C -1.737 174.372 176.094 0.026 0.000 1.018 908 V CA -1.060 61.252 62.300 0.020 0.000 0.842 908 V CB 1.460 33.288 31.823 0.010 0.000 0.996 908 V HN 0.173 8.379 8.190 0.027 0.000 0.426 909 E N 8.729 128.944 120.200 0.025 0.000 2.175 909 E HA 0.308 4.675 4.350 0.030 0.000 0.278 909 E C -2.309 174.294 176.600 0.005 0.000 0.969 909 E CA -1.922 54.493 56.400 0.024 0.000 0.796 909 E CB 3.061 32.780 29.700 0.031 0.000 1.104 909 E HN 0.545 8.919 8.360 0.023 0.000 0.395 910 A N 6.359 129.181 122.820 0.003 0.000 2.480 910 A HA 0.320 4.621 4.320 -0.031 0.000 0.289 910 A C -2.590 174.989 177.584 -0.008 0.000 1.044 910 A CA -0.614 51.413 52.037 -0.016 0.000 0.761 910 A CB 3.092 22.081 19.000 -0.018 0.000 1.289 910 A HN -0.016 8.141 8.150 0.013 0.000 0.401 911 V N 4.746 124.651 119.914 -0.015 0.000 2.555 911 V HA 0.098 4.308 4.120 0.023 -0.076 0.286 911 V C -1.196 174.896 176.094 -0.004 0.000 1.044 911 V CA -0.567 61.736 62.300 0.005 0.000 1.026 911 V CB 1.449 33.283 31.823 0.018 0.000 0.981 911 V HN -0.262 7.907 8.190 -0.035 0.000 0.480 912 L N 7.582 128.813 121.223 0.015 0.000 2.473 912 L HA 0.035 4.545 4.340 0.011 -0.163 0.268 912 L C -0.018 176.866 176.870 0.024 0.000 1.215 912 L CA 0.665 55.515 54.840 0.017 0.000 0.823 912 L CB 0.349 42.423 42.059 0.025 0.000 1.099 912 L HN 0.208 8.452 8.230 0.024 0.000 0.483 913 S N -0.526 115.194 115.700 0.033 0.000 2.521 913 S HA 0.276 4.778 4.470 0.053 0.000 0.295 913 S C -1.879 172.754 174.600 0.055 0.000 1.098 913 S CA -2.100 56.134 58.200 0.057 0.000 0.999 913 S CB 2.155 65.412 63.200 0.095 0.000 1.034 913 S HN -0.145 8.185 8.310 0.032 0.000 0.483 914 R N 6.486 127.017 120.500 0.052 0.000 2.734 914 R HA -0.001 4.363 4.340 0.040 0.000 0.266 914 R C 0.138 176.463 176.300 0.042 0.000 1.044 914 R CA 1.285 57.411 56.100 0.044 0.000 1.128 914 R CB 0.008 30.332 30.300 0.041 0.000 1.010 914 R HN 0.398 8.698 8.270 0.051 0.000 0.461 915 S N 0.419 116.139 115.700 0.034 0.000 1.831 915 S HA -0.188 4.297 4.470 0.024 0.000 0.238 915 S C -0.728 173.890 174.600 0.030 0.000 0.971 915 S CA 2.227 60.444 58.200 0.029 0.000 1.450 915 S CB -0.453 62.762 63.200 0.026 0.000 1.824 915 S HN 0.520 8.849 8.310 0.032 0.000 0.543 916 N N -0.690 118.032 118.700 0.037 0.000 2.266 916 N HA 0.108 4.865 4.740 0.029 0.000 0.217 916 N C -1.227 174.303 175.510 0.033 0.000 1.211 916 N CA 0.165 53.236 53.050 0.035 0.000 0.881 916 N CB 1.488 40.003 38.487 0.047 0.000 1.153 916 N HN -0.514 7.789 8.380 0.043 0.104 0.489 917 Q N -1.678 118.142 119.800 0.034 0.000 1.215 917 Q HA -0.308 4.049 4.340 0.028 0.000 0.087 917 Q C -0.665 175.350 176.000 0.025 0.000 1.197 917 Q CA 0.713 56.532 55.803 0.028 0.000 0.193 917 Q CB -0.139 28.612 28.738 0.022 0.000 5.285 917 Q HN -0.065 8.228 8.270 0.039 0.000 0.294 918 G N -1.467 107.343 108.800 0.018 0.000 2.651 918 G HA2 -0.393 3.569 3.960 0.004 0.000 0.315 918 G HA3 -0.393 3.574 3.960 0.012 0.000 0.315 918 G C -1.096 173.809 174.900 0.007 0.000 1.258 918 G CA 0.208 45.313 45.100 0.010 0.000 1.002 918 G HN 0.235 8.535 8.290 0.016 0.000 0.551 919 V N 0.354 120.275 119.914 0.011 0.000 4.697 919 V HA -0.465 3.831 4.120 0.028 -0.160 0.409 919 V C -0.774 175.272 176.094 -0.080 0.000 0.683 919 V CA 1.007 63.315 62.300 0.013 0.000 1.630 919 V CB -1.264 30.609 31.823 0.082 0.000 1.964 919 V HN 0.155 8.355 8.190 0.015 0.000 0.478 920 A N 5.880 128.619 122.820 -0.135 0.000 2.650 920 A HA 0.296 4.521 4.320 -0.157 0.000 0.320 920 A C -0.073 177.256 177.584 -0.425 0.000 1.466 920 A CA -1.133 50.784 52.037 -0.200 0.000 1.099 920 A CB 0.088 19.011 19.000 -0.128 0.000 1.136 920 A HN 0.034 8.126 8.150 -0.096 0.000 0.532 921 R N 3.176 123.321 120.500 -0.593 0.000 2.080 921 R HA -0.104 3.479 4.340 -1.559 -0.178 0.222 921 R C -0.120 175.904 176.300 -0.459 0.000 1.107 921 R CA 1.985 57.482 56.100 -1.004 0.000 0.980 921 R CB 0.436 30.147 30.300 -0.981 0.000 0.879 921 R HN -0.457 7.573 8.270 -0.400 0.000 0.439 922 V N 0.777 120.533 119.914 -0.264 0.000 2.184 922 V HA 0.083 4.111 4.120 -0.154 0.000 0.262 922 V C -1.930 174.095 176.094 -0.116 0.000 1.209 922 V CA -1.156 61.055 62.300 -0.147 0.000 1.070 922 V CB -0.565 31.218 31.823 -0.066 0.000 1.244 922 V HN -0.393 7.655 8.190 -0.237 0.000 0.477 923 D N 5.083 125.404 120.400 -0.132 0.000 2.256 923 D HA 0.100 4.692 4.640 -0.081 0.000 0.250 923 D C -0.782 175.484 176.300 -0.057 0.000 1.093 923 D CA 0.146 54.092 54.000 -0.092 0.000 0.882 923 D CB 1.492 42.230 40.800 -0.105 0.000 1.185 923 D HN -0.480 7.755 8.370 -0.164 0.036 0.437 924 S N 6.723 122.402 115.700 -0.035 0.000 2.673 924 S HA 0.275 4.734 4.470 -0.019 0.000 0.256 924 S C -1.211 173.387 174.600 -0.004 0.000 1.141 924 S CA -0.608 57.583 58.200 -0.016 0.000 1.109 924 S CB 1.386 64.580 63.200 -0.009 0.000 1.101 924 S HN 0.247 8.538 8.310 -0.032 0.000 0.471 925 G N 5.585 114.383 108.800 -0.004 0.000 3.161 925 G HA2 0.297 4.258 3.960 0.003 0.000 0.328 925 G HA3 0.297 4.253 3.960 -0.005 0.000 0.328 925 G C -0.557 174.349 174.900 0.009 0.000 1.037 925 G CA -0.875 44.226 45.100 0.001 0.000 1.416 925 G HN 0.316 8.600 8.290 -0.009 0.000 0.486 947 L N 3.516 124.759 121.223 0.032 0.000 2.313 947 L HA 0.282 4.654 4.340 0.053 0.000 0.283 947 L C -0.701 176.196 176.870 0.046 0.000 1.013 947 L CA -0.192 54.672 54.840 0.041 0.000 0.816 947 L CB 0.674 42.749 42.059 0.026 0.000 1.236 947 L HN -0.354 7.891 8.230 0.025 0.000 0.419 948 G N 2.633 111.476 108.800 0.071 0.000 2.684 948 G HA2 0.274 4.259 3.960 0.043 0.000 0.290 948 G HA3 0.274 4.291 3.960 0.095 0.000 0.290 948 G C -2.967 171.979 174.900 0.077 0.000 1.425 948 G CA -0.068 45.077 45.100 0.075 0.000 0.822 948 G HN 0.116 8.462 8.290 0.094 0.000 0.482 949 V N -2.810 117.127 119.914 0.038 0.000 2.495 949 V HA 0.539 4.621 4.120 -0.239 -0.105 0.298 949 V C -1.514 174.571 176.094 -0.015 0.000 1.031 949 V CA -2.544 59.700 62.300 -0.093 0.000 0.871 949 V CB 1.216 32.977 31.823 -0.103 0.000 0.988 949 V HN 0.013 8.229 8.190 0.043 0.000 0.432 950 F N 4.103 124.032 119.950 -0.035 0.000 2.588 950 F HA 0.466 4.968 4.527 -0.042 0.000 0.314 950 F C -1.116 174.649 175.800 -0.059 0.000 1.069 950 F CA -1.677 56.296 58.000 -0.045 0.000 0.931 950 F CB 2.679 41.650 39.000 -0.048 0.000 1.260 950 F HN -0.253 7.400 8.300 -1.080 0.000 0.465 951 S N -0.544 115.224 115.700 0.113 0.000 3.039 951 S HA 0.128 4.549 4.470 -0.082 0.000 0.251 951 S C 0.756 175.384 174.600 0.048 0.000 1.064 951 S CA 1.008 59.213 58.200 0.008 0.000 0.822 951 S CB 0.928 64.105 63.200 -0.038 0.000 0.802 951 S HN 0.162 8.561 8.310 0.148 0.000 0.519 952 L N 1.927 123.173 121.223 0.038 0.000 1.925 952 L HA -0.115 4.195 4.340 -0.050 0.000 0.215 952 L C 0.543 177.391 176.870 -0.036 0.000 1.082 952 L CA 2.033 56.862 54.840 -0.018 0.000 0.764 952 L CB -0.505 41.541 42.059 -0.020 0.000 0.887 952 L HN -0.336 7.922 8.230 0.045 0.000 0.432 953 I N -6.151 114.399 120.570 -0.033 0.000 2.119 953 I HA -0.238 3.859 4.170 -0.121 0.000 0.161 953 I C -0.900 175.132 176.117 -0.142 0.000 1.445 953 I CA 1.741 62.973 61.300 -0.112 0.000 0.546 953 I CB -0.067 37.842 38.000 -0.152 0.000 1.923 953 I HN -0.572 7.629 8.210 -0.015 0.000 1.167 954 L N -6.793 114.280 121.223 -0.250 0.000 3.566 954 L HA 0.419 4.665 4.340 -0.158 0.000 0.216 954 L C -2.997 173.730 176.870 -0.239 0.000 1.010 954 L CA -1.726 52.986 54.840 -0.213 0.000 1.341 954 L CB -1.547 40.410 42.059 -0.170 0.000 1.688 954 L HN -0.223 7.829 8.230 -0.298 0.000 0.708 955 P HA 0.164 4.476 4.420 -0.179 0.000 0.273 955 P C -1.610 175.621 177.300 -0.116 0.000 1.428 955 P CA -0.370 62.575 63.100 -0.258 0.000 0.995 955 P CB 0.028 31.515 31.700 -0.354 0.000 1.286 956 L N 3.616 124.814 121.223 -0.043 0.000 2.362 956 L HA 0.312 4.655 4.340 0.004 0.000 0.271 956 L C -0.546 176.330 176.870 0.010 0.000 1.002 956 L CA -1.237 53.603 54.840 0.000 0.000 0.818 956 L CB 2.728 44.800 42.059 0.021 0.000 1.298 956 L HN -0.333 7.876 8.230 -0.035 0.000 0.420 957 Q N 1.576 121.386 119.800 0.016 0.000 2.260 957 Q HA 0.022 4.371 4.340 0.015 0.000 0.242 957 Q C -0.046 175.972 176.000 0.030 0.000 0.932 957 Q CA -0.644 55.171 55.803 0.020 0.000 0.891 957 Q CB 1.438 30.188 28.738 0.020 0.000 1.222 957 Q HN 0.123 8.404 8.270 0.018 0.000 0.453 958 A N 2.232 125.070 122.820 0.030 0.000 2.484 958 A HA -0.179 4.288 4.320 0.040 -0.123 0.268 958 A C 0.717 178.325 177.584 0.041 0.000 1.114 958 A CA 0.534 52.593 52.037 0.036 0.000 0.780 958 A CB -0.614 18.404 19.000 0.029 0.000 1.061 958 A HN 0.287 8.452 8.150 0.025 0.000 0.505 959 G N 5.394 114.227 108.800 0.055 0.000 2.268 959 G HA2 -0.479 3.524 3.960 0.071 0.000 0.240 959 G HA3 -0.479 3.510 3.960 0.048 0.000 0.240 959 G C -0.598 174.342 174.900 0.066 0.000 1.010 959 G CA -0.297 44.839 45.100 0.060 0.000 0.618 959 G HN 0.574 8.805 8.290 0.063 0.097 0.516 960 D N 0.988 121.423 120.400 0.058 0.000 2.346 960 D HA -0.093 4.577 4.640 0.049 0.000 0.236 960 D C -1.167 175.181 176.300 0.080 0.000 1.259 960 D CA 2.108 56.142 54.000 0.056 0.000 0.898 960 D CB 0.929 41.755 40.800 0.043 0.000 1.178 960 D HN -0.615 7.682 8.370 0.051 0.104 0.457 961 T N -0.497 114.102 114.554 0.075 0.000 2.916 961 T HA 0.541 5.275 4.350 0.159 -0.289 0.298 961 T C -1.244 173.506 174.700 0.083 0.000 1.031 961 T CA -1.805 60.359 62.100 0.106 0.000 0.993 961 T CB 2.977 71.900 68.868 0.091 0.000 1.045 961 T HN -0.117 8.158 8.240 0.059 0.000 0.454 962 V N 0.964 120.938 119.914 0.100 0.000 2.617 962 V HA 0.306 4.456 4.120 0.051 0.000 0.298 962 V C -2.223 173.922 176.094 0.084 0.000 1.048 962 V CA -2.625 59.715 62.300 0.066 0.000 0.964 962 V CB 1.304 33.135 31.823 0.014 0.000 1.004 962 V HN 0.037 8.327 8.190 0.167 0.000 0.466 963 C N 3.527 122.865 119.300 0.063 0.000 2.797 963 C HA 0.277 4.773 4.460 0.061 0.000 0.306 963 C C -1.749 173.272 174.990 0.050 0.000 1.207 963 C CA -1.441 57.610 59.018 0.056 0.000 1.507 963 C CB 3.407 31.173 27.740 0.044 0.000 2.028 963 C HN -0.203 8.058 8.230 0.052 0.000 0.475 964 V N 5.075 125.020 119.914 0.051 0.000 2.509 964 V HA -0.012 4.137 4.120 0.048 0.000 0.284 964 V C -1.520 174.597 176.094 0.037 0.000 1.047 964 V CA 0.217 62.546 62.300 0.049 0.000 0.952 964 V CB 1.184 33.044 31.823 0.062 0.000 0.988 964 V HN 0.185 8.405 8.190 0.050 0.000 0.469 965 D N 6.027 126.445 120.400 0.031 0.000 2.232 965 D HA 0.086 4.742 4.640 0.027 0.000 0.242 965 D C -1.680 174.639 176.300 0.031 0.000 1.093 965 D CA -0.546 53.470 54.000 0.027 0.000 0.845 965 D CB 1.982 42.794 40.800 0.020 0.000 1.124 965 D HN -0.163 8.224 8.370 0.028 0.000 0.467 966 L N 5.863 127.106 121.223 0.034 0.000 2.678 966 L HA 0.376 4.880 4.340 0.043 -0.138 0.250 966 L C -1.428 175.466 176.870 0.039 0.000 1.455 966 L CA -0.355 54.510 54.840 0.041 0.000 0.823 966 L CB 0.776 42.864 42.059 0.047 0.000 1.107 966 L HN 0.407 8.655 8.230 0.032 0.000 0.514 967 V N 0.599 120.533 119.914 0.033 0.000 2.707 967 V HA 0.278 4.419 4.120 0.034 0.000 0.271 967 V C -1.469 174.640 176.094 0.025 0.000 1.013 967 V CA 0.480 62.798 62.300 0.030 0.000 0.908 967 V CB 1.671 33.509 31.823 0.025 0.000 1.051 967 V HN -0.438 7.883 8.190 0.030 -0.112 0.476 968 M N 6.004 125.620 119.600 0.027 0.000 3.568 968 M HA 0.251 4.740 4.480 0.016 0.000 0.386 968 M C -0.771 175.540 176.300 0.018 0.000 1.765 968 M CA -0.412 54.900 55.300 0.020 0.000 0.568 968 M CB 1.014 33.625 32.600 0.019 0.000 1.428 968 M HN 0.393 8.703 8.290 0.033 0.000 0.493 969 G N -0.109 108.703 108.800 0.019 0.000 2.944 969 G HA2 -0.084 3.884 3.960 0.013 0.000 0.471 969 G HA3 -0.084 3.885 3.960 0.015 0.000 0.471 969 G C -1.606 173.309 174.900 0.025 0.000 1.388 969 G CA -0.407 44.703 45.100 0.018 0.000 1.087 969 G HN -0.397 7.905 8.290 0.020 0.000 0.596 970 Q N 2.097 121.911 119.800 0.022 0.000 2.036 970 Q HA 0.004 4.360 4.340 0.027 0.000 0.195 970 Q C 0.860 176.879 176.000 0.031 0.000 0.971 970 Q CA 0.671 56.489 55.803 0.025 0.000 0.826 970 Q CB 0.438 29.187 28.738 0.019 0.000 0.896 970 Q HN -0.065 8.216 8.270 0.018 0.000 0.449 971 L N 0.995 122.235 121.223 0.029 0.000 2.774 971 L HA -0.203 4.160 4.340 0.039 0.000 0.284 971 L C -1.262 175.645 176.870 0.061 0.000 1.149 971 L CA 0.319 55.182 54.840 0.039 0.000 1.069 971 L CB -1.163 40.914 42.059 0.030 0.000 1.407 971 L HN -0.312 7.932 8.230 0.023 0.000 0.460 972 A N 4.805 127.676 122.820 0.085 0.000 3.502 972 A HA 0.241 4.660 4.320 0.164 0.000 0.264 972 A C -1.466 176.244 177.584 0.211 0.000 1.099 972 A CA -0.658 51.469 52.037 0.150 0.000 0.690 972 A CB 1.248 20.320 19.000 0.120 0.000 1.449 972 A HN -0.243 7.947 8.150 0.067 0.000 0.700 973 H N -0.711 118.417 119.070 0.097 0.000 2.737 973 H HA 0.229 4.795 4.556 0.016 0.000 0.358 973 H C -1.438 173.893 175.328 0.005 0.000 1.187 973 H CA -0.843 55.218 56.048 0.022 0.000 1.221 973 H CB 2.384 32.103 29.762 -0.071 0.000 1.799 973 H HN 0.034 8.496 8.280 0.303 0.000 0.568 974 S N 0.711 116.269 115.700 -0.235 0.000 2.462 974 S HA 0.262 4.713 4.470 -0.031 0.000 0.294 974 S C -1.233 173.356 174.600 -0.019 0.000 1.144 974 S CA -0.561 57.579 58.200 -0.099 0.000 1.088 974 S CB -0.054 63.052 63.200 -0.157 0.000 1.009 974 S HN 0.178 8.057 8.310 -0.718 0.000 0.484 975 E N 4.248 124.468 120.200 0.033 0.000 2.407 975 E HA 0.196 4.574 4.350 0.047 0.000 0.279 975 E C -2.402 174.254 176.600 0.093 0.000 1.012 975 E CA -0.638 55.800 56.400 0.063 0.000 0.800 975 E CB 1.338 31.070 29.700 0.054 0.000 1.276 975 E HN 0.337 8.722 8.360 0.042 0.000 0.452 976 E N -0.154 120.106 120.200 0.100 0.000 2.731 976 E HA 0.371 4.780 4.350 0.098 0.000 0.248 976 E C -2.331 174.334 176.600 0.107 0.000 1.084 976 E CA -1.809 54.648 56.400 0.095 0.000 0.776 976 E CB 0.570 30.306 29.700 0.061 0.000 1.404 976 E HN 0.234 8.650 8.360 0.094 0.000 0.395 977 P HA -0.010 4.481 4.420 0.118 0.000 0.293 977 P C -1.536 175.798 177.300 0.056 0.000 1.298 977 P CA -0.343 62.812 63.100 0.093 0.000 0.757 977 P CB 1.042 32.740 31.700 -0.003 0.000 1.262 978 L N -1.580 119.666 121.223 0.037 0.000 2.333 978 L HA 0.441 4.818 4.340 0.062 0.000 0.263 978 L C -1.202 175.695 176.870 0.045 0.000 1.014 978 L CA -0.471 54.399 54.840 0.050 0.000 0.820 978 L CB 2.884 44.974 42.059 0.053 0.000 1.352 978 L HN 0.073 8.315 8.230 0.019 0.000 0.421 979 T N -2.173 112.427 114.554 0.076 0.000 2.956 979 T HA 0.237 4.624 4.350 0.061 0.000 0.312 979 T C -1.324 173.459 174.700 0.139 0.000 1.151 979 T CA -0.810 61.345 62.100 0.092 0.000 1.024 979 T CB 2.271 71.203 68.868 0.107 0.000 1.140 979 T HN -0.011 8.284 8.240 0.092 0.000 0.473 980 I N 1.834 122.483 120.570 0.131 0.000 2.354 980 I HA 0.157 4.443 4.170 0.194 0.000 0.292 980 I C -2.097 174.149 176.117 0.215 0.000 0.989 980 I CA -1.718 59.681 61.300 0.165 0.000 1.188 980 I CB 0.892 38.954 38.000 0.104 0.000 1.342 980 I HN 0.318 8.582 8.210 0.092 0.000 0.457 981 F N 9.540 129.584 119.950 0.157 0.000 2.359 981 F HA 0.348 4.979 4.527 0.174 0.000 0.369 981 F C -1.827 174.142 175.800 0.281 0.000 1.084 981 F CA -1.498 56.634 58.000 0.220 0.000 1.096 981 F CB 1.763 40.941 39.000 0.296 0.000 1.335 981 F HN -0.152 8.389 8.300 0.402 0.000 0.457 982 S N 6.035 121.814 115.700 0.132 0.000 2.638 982 S HA 0.373 5.045 4.470 0.335 0.000 0.298 982 S C -1.268 173.388 174.600 0.094 0.000 1.111 982 S CA -1.650 56.657 58.200 0.178 0.000 1.027 982 S CB 2.533 65.769 63.200 0.062 0.000 1.064 982 S HN -0.262 7.996 8.310 -0.086 0.000 0.525 983 G N -2.257 106.519 108.800 -0.041 0.000 2.269 983 G HA2 0.179 4.357 3.960 0.128 0.000 0.297 983 G HA3 0.179 4.423 3.960 0.474 0.000 0.297 983 G C -3.022 171.318 174.900 -0.934 0.000 1.340 983 G CA 0.748 45.810 45.100 -0.062 0.000 1.240 983 G HN -0.201 7.973 8.290 -0.194 0.000 0.596 984 A N 3.795 126.421 122.820 -0.323 0.000 2.325 984 A HA 0.451 4.390 4.320 -0.634 0.000 0.333 984 A C -2.289 175.256 177.584 -0.066 0.000 1.155 984 A CA -2.091 49.738 52.037 -0.347 0.000 0.814 984 A CB 3.381 22.288 19.000 -0.156 0.000 1.206 984 A HN -0.119 7.992 8.150 -0.065 0.000 0.482 985 L N 0.690 121.867 121.223 -0.076 0.000 2.416 985 L HA -0.017 4.417 4.340 0.157 0.000 0.272 985 L C -0.883 176.037 176.870 0.082 0.000 1.161 985 L CA 1.314 56.190 54.840 0.060 0.000 0.845 985 L CB 0.750 42.816 42.059 0.012 0.000 1.119 985 L HN 0.127 8.268 8.230 -0.147 0.000 0.464 986 L N 8.854 130.159 121.223 0.138 0.000 2.453 986 L HA 0.321 4.717 4.340 0.093 0.000 0.190 986 L C -1.138 175.848 176.870 0.193 0.000 1.093 986 L CA 0.924 55.842 54.840 0.130 0.000 0.834 986 L CB 2.205 44.337 42.059 0.123 0.000 1.090 986 L HN 0.414 8.758 8.230 0.190 0.000 0.489 987 Y N -2.886 117.440 120.300 0.043 0.000 2.534 987 Y HA 0.230 4.795 4.550 0.025 0.000 0.345 987 Y C -1.978 173.944 175.900 0.037 0.000 1.031 987 Y CA -1.247 56.872 58.100 0.031 0.000 1.022 987 Y CB 3.751 42.224 38.460 0.021 0.000 1.292 987 Y HN -0.251 8.173 8.280 0.241 0.000 0.459 988 G N 3.209 111.676 108.800 -0.555 0.000 2.489 988 G HA2 0.233 4.137 3.960 -0.093 0.000 0.327 988 G HA3 0.233 4.045 3.960 -0.247 0.000 0.327 988 G C -1.774 172.926 174.900 -0.332 0.000 1.189 988 G CA -1.206 43.721 45.100 -0.287 0.000 0.962 988 G HN 0.191 7.868 8.290 -1.022 0.000 0.486 989 D N 0.600 120.943 120.400 -0.095 0.000 2.338 989 D HA 0.140 4.829 4.640 0.082 0.000 0.255 989 D C -0.747 175.522 176.300 -0.051 0.000 1.237 989 D CA -1.174 52.821 54.000 -0.008 0.000 0.883 989 D CB 0.754 41.572 40.800 0.030 0.000 1.087 989 D HN -0.187 8.150 8.370 -0.055 0.000 0.485 990 P HA 0.369 4.750 4.420 -0.064 0.000 0.219 990 P C -0.483 176.820 177.300 0.005 0.000 1.847 990 P CA -0.711 62.368 63.100 -0.035 0.000 1.059 990 P CB -0.941 30.745 31.700 -0.024 0.000 1.900 991 E N 0.218 120.416 120.200 -0.002 0.000 4.153 991 E HA -0.572 3.773 4.350 -0.008 0.000 0.193 991 E C -0.448 176.162 176.600 0.017 0.000 1.249 991 E CA 2.023 58.419 56.400 -0.006 0.000 2.292 991 E CB -1.672 28.010 29.700 -0.031 0.000 1.844 991 E HN -0.260 8.046 8.360 -0.010 0.047 0.356 992 L N -2.194 119.049 121.223 0.034 0.000 4.137 992 L HA -0.409 4.034 4.340 0.170 0.000 0.421 992 L C -1.206 175.746 176.870 0.138 0.000 1.162 992 L CA 0.602 55.512 54.840 0.116 0.000 0.978 992 L CB -0.841 41.297 42.059 0.132 0.000 1.957 992 L HN 0.073 8.276 8.230 0.021 0.039 0.978 993 E N -1.517 118.673 120.200 -0.017 0.000 2.250 993 E HA 0.032 4.465 4.350 0.138 0.000 0.269 993 E C -0.756 175.711 176.600 -0.221 0.000 1.018 993 E CA -0.167 56.240 56.400 0.011 0.000 0.873 993 E CB 1.191 30.876 29.700 -0.025 0.000 1.134 993 E HN -0.425 7.836 8.360 -0.083 0.050 0.403 994 H N 0.077 119.153 119.070 0.010 0.000 2.974 994 H HA 0.205 4.766 4.556 0.008 0.000 0.285 994 H C -0.095 175.237 175.328 0.006 0.000 1.227 994 H CA -0.369 55.683 56.048 0.008 0.000 1.569 994 H CB 0.261 30.027 29.762 0.008 0.000 1.648 994 H HN 0.292 8.675 8.280 0.172 0.000 0.521 995 A N 0.000 122.851 122.820 0.051 0.000 2.254 995 A HA 0.000 nan 4.320 nan 0.000 0.244 995 A CA 0.000 52.061 52.037 0.040 0.000 0.836 995 A CB 0.000 19.022 19.000 0.037 0.000 0.831 995 A HN 0.000 8.147 8.150 -0.005 0.000 0.486