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_A 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 1.328 121.226 119.914 -0.028 0.000 2.380 847 V HA 0.283 4.368 4.120 -0.059 0.000 0.286 847 V C -0.470 175.612 176.094 -0.021 0.000 1.015 847 V CA -1.320 60.959 62.300 -0.035 0.000 0.834 847 V CB 2.131 33.941 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 -0.021 4.402 4.420 0.005 0.000 0.223 848 P C -0.689 176.612 177.300 0.001 0.000 1.151 848 P CA 0.201 63.293 63.100 -0.014 0.000 0.787 848 P CB 0.837 32.514 31.700 -0.038 0.000 0.788 849 Q N -0.757 119.038 119.800 -0.008 0.000 2.402 849 Q HA -0.274 4.066 4.340 0.001 0.000 0.370 849 Q C -1.613 174.406 176.000 0.032 0.000 1.334 849 Q CA 0.401 56.209 55.803 0.009 0.000 1.151 849 Q CB -0.623 28.125 28.738 0.018 0.000 1.324 849 Q HN 0.135 8.346 8.270 -0.024 0.044 0.332 850 V N -0.484 119.440 119.914 0.017 0.000 2.495 850 V HA 0.147 4.335 4.120 0.112 0.000 0.298 850 V C -2.258 173.869 176.094 0.054 0.000 1.031 850 V CA -1.363 60.967 62.300 0.049 0.000 0.871 850 V CB 1.788 33.563 31.823 -0.079 0.000 0.988 850 V HN -0.381 7.805 8.190 -0.007 0.000 0.432 851 A N 5.179 128.062 122.820 0.106 0.000 2.454 851 A HA 0.473 4.688 4.320 -0.176 0.000 0.302 851 A C -2.304 175.372 177.584 0.153 0.000 1.079 851 A CA -1.226 50.806 52.037 -0.008 0.000 0.731 851 A CB 3.517 22.512 19.000 -0.009 0.000 1.299 851 A HN 0.556 8.807 8.150 0.169 0.000 0.413 852 F N -5.104 114.928 119.950 0.136 0.000 2.635 852 F HA 0.929 5.772 4.527 0.214 -0.188 0.314 852 F C -2.320 173.650 175.800 0.283 0.000 1.119 852 F CA -1.435 56.706 58.000 0.235 0.000 1.000 852 F CB 2.955 42.146 39.000 0.318 0.000 1.278 852 F HN -0.321 7.536 8.300 -0.739 0.000 0.446 853 S N 1.360 117.331 115.700 0.452 0.000 2.583 853 S HA 0.337 5.304 4.470 0.542 -0.172 0.294 853 S C -2.420 172.369 174.600 0.315 0.000 1.121 853 S CA 0.054 58.483 58.200 0.382 0.000 0.910 853 S CB 1.783 65.092 63.200 0.181 0.000 1.102 853 S HN -0.044 8.511 8.310 0.409 0.000 0.451 854 A N 4.674 127.686 122.820 0.320 0.000 2.498 854 A HA 0.912 5.559 4.320 0.281 -0.159 0.298 854 A C -2.668 175.072 177.584 0.260 0.000 1.075 854 A CA -1.517 50.693 52.037 0.288 0.000 0.714 854 A CB 4.228 23.387 19.000 0.266 0.000 1.299 854 A HN -0.263 8.121 8.150 0.390 0.000 0.407 855 A N -0.723 122.239 122.820 0.238 0.000 2.365 855 A HA 0.531 4.959 4.320 0.180 0.000 0.318 855 A C -2.488 175.202 177.584 0.176 0.000 1.091 855 A CA -1.340 50.806 52.037 0.181 0.000 0.763 855 A CB 3.077 22.155 19.000 0.131 0.000 1.248 855 A HN -0.072 8.225 8.150 0.245 0.000 0.442 856 L N 0.527 121.841 121.223 0.152 0.000 2.329 856 L HA 0.409 4.828 4.340 0.131 0.000 0.279 856 L C -0.729 176.193 176.870 0.087 0.000 1.014 856 L CA -1.108 53.809 54.840 0.128 0.000 0.814 856 L CB 2.079 44.221 42.059 0.138 0.000 1.257 856 L HN 0.383 8.700 8.230 0.145 0.000 0.424 857 S N 4.062 119.801 115.700 0.066 0.000 3.004 857 S HA 0.046 4.547 4.470 0.051 0.000 0.244 857 S C -0.466 174.156 174.600 0.037 0.000 0.870 857 S CA -0.757 57.472 58.200 0.049 0.000 1.267 857 S CB 0.548 63.775 63.200 0.044 0.000 1.208 857 S HN 0.217 8.564 8.310 0.062 0.000 0.624 858 L N -0.660 120.584 121.223 0.036 0.000 2.587 858 L HA -0.109 4.240 4.340 0.015 0.000 0.315 858 L C -0.459 176.424 176.870 0.022 0.000 1.288 858 L CA 0.217 55.072 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 7.645 8.230 0.044 0.000 0.541 859 P HA -0.092 4.338 4.420 0.015 0.000 0.199 859 P C -0.681 176.630 177.300 0.018 0.000 1.146 859 P CA 1.383 64.492 63.100 0.015 0.000 0.905 859 P CB 0.574 32.279 31.700 0.009 0.000 0.737 860 R N -1.266 119.244 120.500 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 -0.793 55.318 56.100 0.018 0.000 0.810 860 R CB 0.623 30.932 30.300 0.014 0.000 1.658 860 R HN -0.525 7.753 8.270 0.013 0.000 0.483 861 S N 1.477 117.187 115.700 0.017 0.000 2.931 861 S HA -0.192 4.290 4.470 0.020 0.000 0.342 861 S C -0.010 174.599 174.600 0.016 0.000 1.220 861 S CA 1.164 59.374 58.200 0.016 0.000 1.045 861 S CB -0.079 63.127 63.200 0.011 0.000 0.758 861 S HN 0.002 8.321 8.310 0.016 0.000 0.508 862 E N 6.309 126.521 120.200 0.019 0.000 2.227 862 E HA 0.204 4.562 4.350 0.014 0.000 0.268 862 E C -0.983 175.626 176.600 0.015 0.000 0.990 862 E CA -2.840 53.571 56.400 0.018 0.000 0.856 862 E CB 1.040 30.755 29.700 0.025 0.000 1.159 862 E HN 0.041 8.415 8.360 0.023 0.000 0.401 863 P HA 0.007 4.431 4.420 0.006 0.000 0.229 863 P C -1.053 176.254 177.300 0.012 0.000 1.160 863 P CA 0.151 63.256 63.100 0.009 0.000 0.777 863 P CB 0.567 32.270 31.700 0.005 0.000 0.814 864 G N -1.088 107.723 108.800 0.017 0.000 2.565 864 G HA2 -0.006 3.967 3.960 0.021 0.000 0.142 864 G HA3 -0.006 3.965 3.960 0.019 0.000 0.142 864 G C -1.849 173.070 174.900 0.030 0.000 1.181 864 G CA -0.074 45.039 45.100 0.022 0.000 1.066 864 G HN -0.560 7.687 8.290 0.019 0.055 0.530 865 T N 1.749 116.323 114.554 0.033 0.000 2.856 865 T HA 0.004 4.382 4.350 0.047 0.000 0.306 865 T C 0.116 174.844 174.700 0.048 0.000 1.062 865 T CA 0.801 62.926 62.100 0.042 0.000 1.083 865 T CB 0.467 69.359 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 -0.193 119.757 119.914 0.059 0.000 2.509 866 V HA 0.486 4.845 4.120 0.058 -0.205 0.284 866 V C -1.062 175.092 176.094 0.100 0.000 1.047 866 V CA -3.341 59.001 62.300 0.070 0.000 0.952 866 V CB 0.345 32.214 31.823 0.076 0.000 0.988 866 V HN 0.137 8.364 8.190 0.061 0.000 0.469 867 P HA 0.295 4.863 4.420 0.247 0.000 0.344 867 P C -1.916 175.568 177.300 0.306 0.000 1.321 867 P CA -0.872 62.348 63.100 0.199 0.000 0.773 867 P CB 0.980 32.729 31.700 0.081 0.000 1.723 868 F N -4.841 115.096 119.950 -0.020 0.000 2.607 868 F HA 0.255 4.790 4.527 0.014 0.000 0.322 868 F C -1.385 174.409 175.800 -0.009 0.000 1.176 868 F CA -1.778 56.220 58.000 -0.004 0.000 0.977 868 F CB 1.525 40.519 39.000 -0.010 0.000 1.242 868 F HN -0.264 8.051 8.300 0.025 0.000 0.465 869 D N 2.293 122.620 120.400 -0.123 0.000 2.433 869 D HA 0.064 4.487 4.640 -0.361 0.000 0.211 869 D C 0.021 176.281 176.300 -0.065 0.000 1.114 869 D CA -0.616 53.269 54.000 -0.191 0.000 0.837 869 D CB 0.610 41.341 40.800 -0.116 0.000 0.984 869 D HN 0.403 8.779 8.370 0.010 0.000 0.505 870 R N 1.277 121.802 120.500 0.042 0.000 2.593 870 R HA 0.234 4.598 4.340 0.039 0.000 0.282 870 R C -0.940 175.430 176.300 0.116 0.000 1.300 870 R CA -1.490 54.654 56.100 0.074 0.000 1.221 870 R CB -1.093 29.265 30.300 0.097 0.000 1.157 870 R HN -0.564 7.762 8.270 0.093 0.000 0.555 871 V N 5.046 125.007 119.914 0.078 0.000 2.364 871 V HA -0.120 4.107 4.120 0.178 0.000 0.252 871 V C -0.206 175.948 176.094 0.101 0.000 1.075 871 V CA 0.721 63.087 62.300 0.111 0.000 1.033 871 V CB -1.278 30.581 31.823 0.060 0.000 1.116 871 V HN 0.158 8.367 8.190 0.032 0.000 0.488 872 L N 8.446 129.743 121.223 0.124 0.000 2.168 872 L HA 0.030 4.417 4.340 0.077 0.000 0.203 872 L C -0.174 176.752 176.870 0.094 0.000 1.078 872 L CA 1.581 56.480 54.840 0.098 0.000 0.780 872 L CB 1.017 43.139 42.059 0.106 0.000 0.939 872 L HN 0.221 8.548 8.230 0.161 0.000 0.451 873 L N -1.927 119.368 121.223 0.120 0.000 2.973 873 L HA 0.084 4.482 4.340 0.097 0.000 0.254 873 L C -2.680 174.289 176.870 0.165 0.000 0.947 873 L CA 0.749 55.657 54.840 0.113 0.000 1.064 873 L CB 2.106 44.213 42.059 0.080 0.000 1.534 873 L HN -0.635 7.686 8.230 0.152 0.000 0.504 874 N N 2.814 121.618 118.700 0.172 0.000 4.099 874 N HA 0.125 5.302 4.740 0.301 -0.257 0.152 874 N C -0.674 174.936 175.510 0.166 0.000 1.436 874 N CA -0.179 53.014 53.050 0.239 0.000 0.953 874 N CB -0.112 38.544 38.487 0.281 0.000 1.748 874 N HN -0.176 8.286 8.380 0.136 0.000 0.751 875 D N 1.258 121.747 120.400 0.147 0.000 2.097 875 D HA -0.104 4.568 4.640 0.053 0.000 0.197 875 D C 1.011 177.311 176.300 0.001 0.000 0.984 875 D CA 1.884 55.928 54.000 0.073 0.000 0.826 875 D CB -0.468 40.377 40.800 0.075 0.000 0.973 875 D HN 0.288 8.761 8.370 0.173 0.000 0.460 876 G N -1.308 107.487 108.800 -0.007 0.000 2.448 876 G HA2 -0.088 3.642 3.960 -0.383 0.000 0.218 876 G HA3 -0.088 3.316 3.960 -0.928 0.000 0.218 876 G C 0.629 175.209 174.900 -0.534 0.000 1.135 876 G CA 0.267 45.086 45.100 -0.468 0.000 0.784 876 G HN 0.267 8.670 8.290 0.190 0.000 0.543 877 G N 0.625 109.342 108.800 -0.138 0.000 4.148 877 G HA2 -0.441 3.497 3.960 -0.037 0.000 0.221 877 G HA3 -0.441 3.397 3.960 -0.205 0.000 0.221 877 G C 0.153 174.976 174.900 -0.129 0.000 1.373 877 G CA 0.918 45.938 45.100 -0.132 0.000 0.940 877 G HN -0.376 7.955 8.290 0.105 0.022 0.610 878 Y N -1.803 118.364 120.300 -0.222 0.000 2.723 878 Y HA -0.523 3.900 4.550 -0.212 0.000 0.485 878 Y C -0.942 174.684 175.900 -0.457 0.000 1.075 878 Y CA 3.288 61.209 58.100 -0.299 0.000 3.005 878 Y CB -1.252 37.007 38.460 -0.336 0.000 0.954 878 Y HN 0.119 7.934 8.280 -0.654 0.073 0.570 879 Y N -2.039 117.826 120.300 -0.724 0.000 2.478 879 Y HA 0.414 4.674 4.550 -0.719 -0.141 0.329 879 Y C -0.887 174.641 175.900 -0.620 0.000 0.967 879 Y CA -2.784 54.751 58.100 -0.942 0.000 1.255 879 Y CB 0.824 37.968 38.460 -2.193 0.000 1.103 879 Y HN -0.250 7.764 8.280 -0.340 0.062 0.497 880 D N 7.148 127.211 120.400 -0.560 0.000 2.363 880 D HA 0.149 4.413 4.640 -0.627 0.000 0.263 880 D C -0.384 175.604 176.300 -0.520 0.000 1.258 880 D CA -0.448 53.240 54.000 -0.519 0.000 0.907 880 D CB 1.477 42.129 40.800 -0.247 0.000 1.107 880 D HN -0.178 7.970 8.370 -0.370 0.000 0.495 881 P HA 0.095 4.269 4.420 -0.409 0.000 0.245 881 P C -0.712 176.452 177.300 -0.227 0.000 1.212 881 P CA 1.060 63.851 63.100 -0.514 0.000 0.774 881 P CB -0.150 31.140 31.700 -0.683 0.000 0.999 882 E N -1.399 118.716 120.200 -0.142 0.000 2.158 882 E HA -0.159 4.218 4.350 0.046 0.000 0.191 882 E C 0.844 177.431 176.600 -0.022 0.000 0.982 882 E CA 1.968 58.370 56.400 0.003 0.000 0.823 882 E CB 0.072 29.815 29.700 0.071 0.000 0.766 882 E HN 0.306 8.462 8.360 -0.209 0.079 0.468 883 T N -6.959 107.561 114.554 -0.056 0.000 2.971 883 T HA 0.260 4.600 4.350 -0.016 0.000 0.252 883 T C 1.184 175.860 174.700 -0.040 0.000 1.022 883 T CA -0.418 61.661 62.100 -0.036 0.000 0.980 883 T CB 1.997 70.844 68.868 -0.035 0.000 1.044 883 T HN -0.676 7.483 8.240 -0.099 0.021 0.501 884 G N 1.920 110.670 108.800 -0.083 0.000 2.184 884 G HA2 -0.347 3.554 3.960 -0.112 0.000 0.264 884 G HA3 -0.347 3.602 3.960 -0.019 0.000 0.264 884 G C -0.622 174.283 174.900 0.008 0.000 0.975 884 G CA 0.415 45.482 45.100 -0.055 0.000 0.642 884 G HN 0.294 8.322 8.290 -0.138 0.179 0.536 885 V N 2.457 122.361 119.914 -0.018 0.000 2.377 885 V HA -0.201 3.955 4.120 0.061 0.000 0.254 885 V C -1.288 174.836 176.094 0.049 0.000 1.060 885 V CA 1.291 63.606 62.300 0.025 0.000 1.068 885 V CB -0.937 30.880 31.823 -0.009 0.000 1.113 885 V HN -0.785 7.295 8.190 -0.053 0.078 0.484 886 F N 10.314 130.253 119.950 -0.018 0.000 2.404 886 F HA 0.191 4.744 4.527 0.043 0.000 0.359 886 F C -1.519 174.277 175.800 -0.006 0.000 1.134 886 F CA -1.639 56.361 58.000 -0.000 0.000 1.160 886 F CB 1.193 40.179 39.000 -0.023 0.000 1.186 886 F HN -0.105 8.353 8.300 0.263 0.000 0.526 887 T N 11.537 126.178 114.554 0.146 0.000 2.811 887 T HA 0.242 4.850 4.350 0.181 -0.149 0.309 887 T C -1.600 173.221 174.700 0.202 0.000 1.005 887 T CA -0.351 61.847 62.100 0.162 0.000 0.955 887 T CB 0.064 68.970 68.868 0.064 0.000 0.970 887 T HN -0.357 7.845 8.240 -0.064 0.000 0.496 888 A N 7.585 130.576 122.820 0.285 0.000 2.294 888 A HA 0.549 4.960 4.320 0.151 0.000 0.316 888 A C -1.436 176.198 177.584 0.083 0.000 1.359 888 A CA -3.527 48.632 52.037 0.205 0.000 0.956 888 A CB 0.597 19.736 19.000 0.233 0.000 1.155 888 A HN -0.100 8.223 8.150 0.289 0.000 0.544 889 P HA 0.054 4.500 4.420 0.042 0.000 0.252 889 P C -0.090 177.201 177.300 -0.015 0.000 1.218 889 P CA 1.140 64.257 63.100 0.027 0.000 0.807 889 P CB -0.010 31.726 31.700 0.061 0.000 1.072 890 L N -1.977 119.206 121.223 -0.066 0.000 2.030 890 L HA -0.338 3.944 4.340 -0.097 0.000 0.222 890 L C 0.226 177.090 176.870 -0.011 0.000 1.082 890 L CA 1.095 55.897 54.840 -0.063 0.000 0.785 890 L CB -0.441 41.583 42.059 -0.058 0.000 0.895 890 L HN -0.336 7.787 8.230 -0.103 0.045 0.439 891 A N -3.520 119.311 122.820 0.018 0.000 1.597 891 A HA -0.311 4.032 4.320 0.038 0.000 0.206 891 A C -0.796 176.809 177.584 0.036 0.000 1.281 891 A CA 0.380 52.434 52.037 0.029 0.000 0.662 891 A CB -0.550 18.459 19.000 0.015 0.000 1.153 891 A HN 0.127 8.293 8.150 0.026 0.000 0.200 892 G N 1.464 110.305 108.800 0.068 0.000 2.441 892 G HA2 -0.037 4.156 3.960 0.106 0.000 0.222 892 G HA3 -0.037 4.091 3.960 0.084 -0.117 0.222 892 G C -2.269 172.711 174.900 0.133 0.000 1.254 892 G CA -0.091 45.069 45.100 0.100 0.000 0.959 892 G HN -0.220 8.114 8.290 0.073 0.000 0.474 893 R N 2.896 123.503 120.500 0.178 0.000 2.387 893 R HA 0.474 4.874 4.340 0.100 0.000 0.314 893 R C -2.120 174.301 176.300 0.203 0.000 0.958 893 R CA -1.148 55.040 56.100 0.147 0.000 0.846 893 R CB 2.303 32.677 30.300 0.124 0.000 1.147 893 R HN -0.115 8.290 8.270 0.224 0.000 0.447 894 Y N 3.992 124.319 120.300 0.045 0.000 2.545 894 Y HA 0.143 4.721 4.550 0.046 0.000 0.348 894 Y C -2.674 173.240 175.900 0.023 0.000 1.002 894 Y CA -2.442 55.687 58.100 0.048 0.000 1.039 894 Y CB 2.910 41.426 38.460 0.094 0.000 1.271 894 Y HN 0.190 8.545 8.280 0.125 0.000 0.467 895 L N 3.783 124.940 121.223 -0.110 0.000 2.255 895 L HA 0.275 4.414 4.340 -0.335 0.000 0.289 895 L C -2.069 174.524 176.870 -0.460 0.000 1.046 895 L CA -1.037 53.626 54.840 -0.294 0.000 0.816 895 L CB 1.573 43.588 42.059 -0.073 0.000 1.197 895 L HN -0.062 8.340 8.230 0.286 0.000 0.427 896 L N 5.692 126.528 121.223 -0.644 0.000 2.325 896 L HA 0.315 4.626 4.340 -0.048 0.000 0.278 896 L C -1.103 175.636 176.870 -0.219 0.000 1.023 896 L CA -0.352 54.265 54.840 -0.371 0.000 0.811 896 L CB 1.900 43.673 42.059 -0.477 0.000 1.249 896 L HN 0.151 8.024 8.230 -0.596 0.000 0.431 897 S N 4.299 119.875 115.700 -0.205 0.000 2.720 897 S HA 0.295 4.657 4.470 -0.179 0.000 0.278 897 S C -1.829 172.585 174.600 -0.310 0.000 1.172 897 S CA -0.362 57.715 58.200 -0.205 0.000 1.019 897 S CB 2.618 65.738 63.200 -0.134 0.000 1.049 897 S HN -0.108 8.086 8.310 -0.194 0.000 0.483 898 A N 4.607 127.255 122.820 -0.287 0.000 2.325 898 A HA 0.450 4.511 4.320 -0.431 0.000 0.333 898 A C -0.979 176.524 177.584 -0.134 0.000 1.155 898 A CA -1.499 50.362 52.037 -0.293 0.000 0.814 898 A CB 2.163 21.018 19.000 -0.241 0.000 1.206 898 A HN 0.190 8.209 8.150 -0.218 0.000 0.482 899 V N 1.527 121.396 119.914 -0.075 0.000 2.406 899 V HA 0.020 4.113 4.120 -0.045 0.000 0.272 899 V C -0.666 175.410 176.094 -0.029 0.000 1.043 899 V CA -0.156 62.122 62.300 -0.036 0.000 0.915 899 V CB 0.623 32.443 31.823 -0.005 0.000 0.988 899 V HN -0.003 8.150 8.190 -0.061 0.000 0.466 900 L N 9.034 130.236 121.223 -0.036 0.000 2.261 900 L HA 0.158 4.475 4.340 -0.038 0.000 0.289 900 L C 0.134 176.976 176.870 -0.047 0.000 1.059 900 L CA -0.870 53.947 54.840 -0.039 0.000 0.816 900 L CB -1.264 40.773 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 6.372 120.876 114.554 -0.084 0.000 2.930 901 T HA 0.034 4.328 4.350 -0.093 0.000 0.306 901 T C 0.581 175.232 174.700 -0.082 0.000 1.045 901 T CA 0.798 62.814 62.100 -0.140 0.000 1.134 901 T CB 1.436 70.096 68.868 -0.347 0.000 0.961 901 T HN 0.173 8.360 8.240 -0.087 0.000 0.545 902 G N 1.459 110.254 108.800 -0.008 0.000 2.505 902 G HA2 -0.165 3.820 3.960 0.041 0.000 0.214 902 G HA3 -0.165 3.840 3.960 0.075 0.000 0.214 902 G C -0.563 174.439 174.900 0.170 0.000 1.237 902 G CA 0.347 45.485 45.100 0.065 0.000 0.802 902 G HN 0.152 8.439 8.290 -0.004 0.000 0.549 903 H N -0.389 118.704 119.070 0.038 0.000 2.604 903 H HA -0.187 4.405 4.556 0.061 0.000 0.324 903 H C 0.704 176.071 175.328 0.066 0.000 1.068 903 H CA -0.362 55.721 56.048 0.058 0.000 1.091 903 H CB -0.431 29.368 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 -1.429 119.155 120.500 0.141 0.000 2.328 904 R HA -0.234 4.151 4.340 0.075 0.000 0.207 904 R C -0.106 176.242 176.300 0.080 0.000 1.056 904 R CA 1.320 57.472 56.100 0.087 0.000 1.016 904 R CB -0.499 29.838 30.300 0.061 0.000 0.872 904 R HN 0.175 8.523 8.270 0.130 0.000 0.471 905 H N 1.034 120.087 119.070 -0.028 0.000 2.568 905 H HA -0.123 4.398 4.556 -0.059 0.000 0.281 905 H C -0.589 174.724 175.328 -0.025 0.000 1.028 905 H CA 0.640 56.655 56.048 -0.056 0.000 1.199 905 H CB -0.795 28.896 29.762 -0.118 0.000 1.352 905 H HN -0.299 8.006 8.280 0.156 0.069 0.605 906 E N -3.936 116.224 120.200 -0.066 0.000 6.317 906 E HA -0.183 4.152 4.350 -0.044 -0.011 0.457 906 E C -1.845 174.744 176.600 -0.018 0.000 1.396 906 E CA 0.473 56.822 56.400 -0.085 0.000 2.717 906 E CB -0.779 28.808 29.700 -0.189 0.000 1.362 906 E HN -0.725 7.546 8.360 0.021 0.101 0.383 907 K N -1.647 118.740 120.400 -0.021 0.000 8.238 907 K HA -0.242 4.083 4.320 0.008 0.000 0.897 907 K C -2.607 174.008 176.600 0.025 0.000 2.567 907 K CA 0.481 56.779 56.287 0.018 0.000 1.539 907 K CB 0.344 32.879 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 0.258 120.187 119.914 0.026 0.000 2.407 908 V HA 0.123 4.253 4.120 0.018 0.000 0.291 908 V C -1.738 174.372 176.094 0.026 0.000 1.018 908 V CA -1.060 61.252 62.300 0.020 0.000 0.842 908 V CB 1.467 33.295 31.823 0.010 0.000 0.996 908 V HN 0.172 8.378 8.190 0.027 0.000 0.426 909 E N 8.724 128.940 120.200 0.025 0.000 2.166 909 E HA 0.312 4.679 4.350 0.030 0.000 0.275 909 E C -2.317 174.286 176.600 0.005 0.000 0.941 909 E CA -1.926 54.488 56.400 0.024 0.000 0.784 909 E CB 3.074 32.793 29.700 0.031 0.000 1.115 909 E HN 0.548 8.922 8.360 0.023 0.000 0.399 910 A N 6.376 129.197 122.820 0.003 0.000 2.480 910 A HA 0.321 4.622 4.320 -0.031 0.000 0.289 910 A C -2.592 174.987 177.584 -0.008 0.000 1.044 910 A CA -0.621 51.407 52.037 -0.016 0.000 0.761 910 A CB 3.096 22.085 19.000 -0.018 0.000 1.289 910 A HN -0.014 8.144 8.150 0.013 0.000 0.401 911 V N 4.212 124.117 119.914 -0.015 0.000 2.555 911 V HA 0.109 4.319 4.120 0.023 -0.076 0.286 911 V C -1.234 174.858 176.094 -0.004 0.000 1.044 911 V CA -0.761 61.542 62.300 0.005 0.000 1.026 911 V CB 1.524 33.358 31.823 0.018 0.000 0.981 911 V HN -0.264 7.905 8.190 -0.035 0.000 0.480 912 L N 7.610 128.842 121.223 0.014 0.000 2.473 912 L HA 0.031 4.541 4.340 0.011 -0.164 0.268 912 L C -0.009 176.875 176.870 0.024 0.000 1.215 912 L CA 0.674 55.525 54.840 0.017 0.000 0.823 912 L CB 0.343 42.417 42.059 0.025 0.000 1.099 912 L HN 0.201 8.445 8.230 0.024 0.000 0.483 913 S N -0.516 115.204 115.700 0.033 0.000 2.521 913 S HA 0.274 4.776 4.470 0.053 0.000 0.295 913 S C -1.869 172.764 174.600 0.055 0.000 1.098 913 S CA -2.102 56.132 58.200 0.057 0.000 0.999 913 S CB 2.118 65.375 63.200 0.095 0.000 1.034 913 S HN -0.151 8.178 8.310 0.032 0.000 0.483 914 R N 6.589 127.120 120.500 0.052 0.000 2.734 914 R HA -0.009 4.355 4.340 0.040 0.000 0.266 914 R C 0.129 176.454 176.300 0.042 0.000 1.044 914 R CA 1.315 57.441 56.100 0.043 0.000 1.128 914 R CB -0.011 30.314 30.300 0.041 0.000 1.010 914 R HN 0.407 8.707 8.270 0.051 0.000 0.461 915 S N 0.463 116.183 115.700 0.034 0.000 1.831 915 S HA -0.188 4.297 4.470 0.024 0.000 0.238 915 S C -0.727 173.891 174.600 0.030 0.000 0.971 915 S CA 2.226 60.443 58.200 0.029 0.000 1.450 915 S CB -0.456 62.760 63.200 0.026 0.000 1.824 915 S HN 0.519 8.849 8.310 0.032 0.000 0.543 916 N N -0.687 118.035 118.700 0.037 0.000 2.266 916 N HA 0.108 4.865 4.740 0.029 0.000 0.217 916 N C -1.218 174.312 175.510 0.033 0.000 1.211 916 N CA 0.174 53.245 53.050 0.036 0.000 0.881 916 N CB 1.487 40.002 38.487 0.047 0.000 1.153 916 N HN -0.514 7.788 8.380 0.043 0.104 0.489 917 Q N -1.635 118.185 119.800 0.034 0.000 1.215 917 Q HA -0.308 4.048 4.340 0.028 0.000 0.087 917 Q C -0.665 175.351 176.000 0.025 0.000 1.197 917 Q CA 0.706 56.526 55.803 0.027 0.000 0.193 917 Q CB -0.117 28.634 28.738 0.022 0.000 5.285 917 Q HN -0.047 8.247 8.270 0.039 0.000 0.294 918 G N -1.481 107.330 108.800 0.017 0.000 2.622 918 G HA2 -0.394 3.569 3.960 0.004 0.000 0.307 918 G HA3 -0.394 3.573 3.960 0.012 0.000 0.307 918 G C -1.099 173.805 174.900 0.007 0.000 1.226 918 G CA 0.198 45.304 45.100 0.010 0.000 0.997 918 G HN 0.236 8.535 8.290 0.016 0.000 0.551 919 V N 0.364 120.285 119.914 0.011 0.000 4.697 919 V HA -0.466 3.831 4.120 0.028 -0.160 0.409 919 V C -0.763 175.283 176.094 -0.080 0.000 0.683 919 V CA 1.011 63.319 62.300 0.013 0.000 1.630 919 V CB -1.265 30.608 31.823 0.082 0.000 1.964 919 V HN 0.156 8.356 8.190 0.015 0.000 0.478 920 A N 5.900 128.639 122.820 -0.135 0.000 2.650 920 A HA 0.292 4.517 4.320 -0.157 0.000 0.320 920 A C -0.088 177.241 177.584 -0.424 0.000 1.466 920 A CA -1.127 50.790 52.037 -0.200 0.000 1.099 920 A CB 0.054 18.978 19.000 -0.128 0.000 1.136 920 A HN 0.042 8.133 8.150 -0.097 0.000 0.532 921 R N 3.102 123.246 120.500 -0.593 0.000 2.080 921 R HA -0.105 3.479 4.340 -1.559 -0.179 0.222 921 R C -0.106 175.919 176.300 -0.459 0.000 1.107 921 R CA 1.986 57.484 56.100 -1.003 0.000 0.980 921 R CB 0.426 30.138 30.300 -0.980 0.000 0.879 921 R HN -0.461 7.568 8.270 -0.402 0.000 0.439 922 V N 0.757 120.513 119.914 -0.264 0.000 2.184 922 V HA 0.084 4.112 4.120 -0.154 0.000 0.262 922 V C -1.925 174.100 176.094 -0.115 0.000 1.209 922 V CA -1.169 61.043 62.300 -0.147 0.000 1.070 922 V CB -0.582 31.201 31.823 -0.066 0.000 1.244 922 V HN -0.392 7.656 8.190 -0.237 0.000 0.477 923 D N 5.013 125.334 120.400 -0.132 0.000 2.256 923 D HA 0.096 4.688 4.640 -0.081 0.000 0.250 923 D C -0.776 175.490 176.300 -0.057 0.000 1.093 923 D CA 0.170 54.115 54.000 -0.092 0.000 0.882 923 D CB 1.471 42.208 40.800 -0.105 0.000 1.185 923 D HN -0.484 7.749 8.370 -0.165 0.038 0.437 924 S N 6.753 122.433 115.700 -0.035 0.000 2.673 924 S HA 0.275 4.734 4.470 -0.019 0.000 0.256 924 S C -1.205 173.392 174.600 -0.004 0.000 1.141 924 S CA -0.612 57.578 58.200 -0.016 0.000 1.109 924 S CB 1.381 64.576 63.200 -0.009 0.000 1.101 924 S HN 0.267 8.557 8.310 -0.032 0.000 0.471 925 G N 5.586 114.383 108.800 -0.004 0.000 3.161 925 G HA2 0.295 4.257 3.960 0.003 0.000 0.328 925 G HA3 0.295 4.252 3.960 -0.005 0.000 0.328 925 G C -0.553 174.352 174.900 0.009 0.000 1.037 925 G CA -0.873 44.227 45.100 0.001 0.000 1.416 925 G HN 0.317 8.602 8.290 -0.009 0.000 0.486 947 L N 3.560 124.802 121.223 0.032 0.000 2.296 947 L HA 0.280 4.652 4.340 0.053 0.000 0.286 947 L C -0.696 176.202 176.870 0.045 0.000 1.023 947 L CA -0.195 54.669 54.840 0.041 0.000 0.812 947 L CB 0.650 42.725 42.059 0.026 0.000 1.223 947 L HN -0.349 7.896 8.230 0.025 0.000 0.421 948 G N 2.675 111.518 108.800 0.071 0.000 2.684 948 G HA2 0.275 4.261 3.960 0.043 0.000 0.290 948 G HA3 0.275 4.292 3.960 0.095 0.000 0.290 948 G C -2.966 171.981 174.900 0.077 0.000 1.425 948 G CA -0.070 45.075 45.100 0.075 0.000 0.822 948 G HN 0.121 8.468 8.290 0.094 0.000 0.482 949 V N -2.817 117.120 119.914 0.038 0.000 2.495 949 V HA 0.532 4.612 4.120 -0.239 -0.103 0.298 949 V C -1.515 174.570 176.094 -0.014 0.000 1.031 949 V CA -2.513 59.732 62.300 -0.093 0.000 0.871 949 V CB 1.208 32.969 31.823 -0.103 0.000 0.988 949 V HN 0.009 8.225 8.190 0.043 0.000 0.432 950 F N 4.113 124.042 119.950 -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 -1.680 56.293 58.000 -0.046 0.000 0.931 950 F CB 2.680 41.651 39.000 -0.048 0.000 1.260 950 F HN -0.251 7.402 8.300 -1.079 0.000 0.465 951 S N -0.594 115.175 115.700 0.115 0.000 3.039 951 S HA 0.129 4.550 4.470 -0.082 0.000 0.251 951 S C 0.753 175.382 174.600 0.048 0.000 1.064 951 S CA 0.998 59.203 58.200 0.009 0.000 0.822 951 S CB 0.939 64.116 63.200 -0.038 0.000 0.802 951 S HN 0.161 8.562 8.310 0.150 0.000 0.519 952 L N 1.941 123.187 121.223 0.038 0.000 1.925 952 L HA -0.116 4.194 4.340 -0.050 0.000 0.215 952 L C 0.546 177.394 176.870 -0.037 0.000 1.082 952 L CA 2.045 56.875 54.840 -0.018 0.000 0.764 952 L CB -0.508 41.539 42.059 -0.020 0.000 0.887 952 L HN -0.333 7.924 8.230 0.045 0.000 0.432 953 I N -6.176 114.374 120.570 -0.033 0.000 2.119 953 I HA -0.239 3.859 4.170 -0.122 0.000 0.161 953 I C -0.904 175.128 176.117 -0.142 0.000 1.445 953 I CA 1.744 62.977 61.300 -0.112 0.000 0.546 953 I CB -0.070 37.838 38.000 -0.153 0.000 1.923 953 I HN -0.572 7.629 8.210 -0.015 0.000 1.167 954 L N -6.809 114.264 121.223 -0.251 0.000 3.566 954 L HA 0.418 4.663 4.340 -0.159 0.000 0.216 954 L C -3.001 173.726 176.870 -0.239 0.000 1.010 954 L CA -1.714 52.998 54.840 -0.214 0.000 1.341 954 L CB -1.556 40.401 42.059 -0.171 0.000 1.688 954 L HN -0.223 7.828 8.230 -0.299 0.000 0.708 955 P HA 0.163 4.475 4.420 -0.179 0.000 0.273 955 P C -1.611 175.620 177.300 -0.116 0.000 1.428 955 P CA -0.366 62.578 63.100 -0.258 0.000 0.995 955 P CB 0.038 31.525 31.700 -0.354 0.000 1.286 956 L N 3.626 124.824 121.223 -0.043 0.000 2.362 956 L HA 0.311 4.654 4.340 0.004 0.000 0.271 956 L C -0.536 176.339 176.870 0.010 0.000 1.002 956 L CA -1.234 53.606 54.840 0.000 0.000 0.818 956 L CB 2.726 44.798 42.059 0.022 0.000 1.298 956 L HN -0.330 7.879 8.230 -0.035 0.000 0.420 957 Q N 1.592 121.401 119.800 0.016 0.000 2.260 957 Q HA 0.019 4.368 4.340 0.015 0.000 0.242 957 Q C -0.039 175.979 176.000 0.030 0.000 0.932 957 Q CA -0.633 55.182 55.803 0.020 0.000 0.891 957 Q CB 1.424 30.174 28.738 0.020 0.000 1.222 957 Q HN 0.120 8.400 8.270 0.018 0.000 0.453 958 A N 2.153 124.991 122.820 0.030 0.000 2.484 958 A HA -0.178 4.287 4.320 0.039 -0.122 0.268 958 A C 0.709 178.318 177.584 0.041 0.000 1.114 958 A CA 0.519 52.577 52.037 0.035 0.000 0.780 958 A CB -0.616 18.401 19.000 0.029 0.000 1.061 958 A HN 0.279 8.444 8.150 0.025 0.000 0.505 959 G N 5.390 114.223 108.800 0.055 0.000 2.268 959 G HA2 -0.480 3.523 3.960 0.071 0.000 0.240 959 G HA3 -0.480 3.510 3.960 0.048 0.000 0.240 959 G C -0.597 174.343 174.900 0.066 0.000 1.010 959 G CA -0.295 44.841 45.100 0.061 0.000 0.618 959 G HN 0.579 8.809 8.290 0.062 0.097 0.516 960 D N 0.991 121.426 120.400 0.058 0.000 2.346 960 D HA -0.097 4.572 4.640 0.049 0.000 0.236 960 D C -1.158 175.190 176.300 0.080 0.000 1.259 960 D CA 2.113 56.147 54.000 0.056 0.000 0.898 960 D CB 0.918 41.743 40.800 0.043 0.000 1.178 960 D HN -0.620 7.676 8.370 0.051 0.104 0.457 961 T N -0.493 114.106 114.554 0.075 0.000 2.916 961 T HA 0.546 5.282 4.350 0.159 -0.290 0.298 961 T C -1.239 173.511 174.700 0.083 0.000 1.031 961 T CA -1.809 60.354 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 -0.116 8.160 8.240 0.059 0.000 0.454 962 V N 0.955 120.929 119.914 0.100 0.000 2.532 962 V HA 0.307 4.457 4.120 0.051 0.000 0.295 962 V C -2.219 173.925 176.094 0.084 0.000 1.041 962 V CA -2.622 59.718 62.300 0.066 0.000 0.926 962 V CB 1.301 33.133 31.823 0.014 0.000 0.992 962 V HN 0.036 8.326 8.190 0.167 0.000 0.457 963 C N 3.595 122.932 119.300 0.063 0.000 2.797 963 C HA 0.276 4.773 4.460 0.061 0.000 0.306 963 C C -1.743 173.277 174.990 0.050 0.000 1.207 963 C CA -1.447 57.605 59.018 0.056 0.000 1.507 963 C CB 3.400 31.167 27.740 0.044 0.000 2.028 963 C HN -0.195 8.066 8.230 0.052 0.000 0.475 964 V N 5.147 125.092 119.914 0.052 0.000 2.509 964 V HA -0.012 4.137 4.120 0.048 0.000 0.284 964 V C -1.517 174.600 176.094 0.038 0.000 1.047 964 V CA 0.222 62.552 62.300 0.049 0.000 0.952 964 V CB 1.176 33.037 31.823 0.062 0.000 0.988 964 V HN 0.189 8.409 8.190 0.050 0.000 0.469 965 D N 6.094 126.512 120.400 0.031 0.000 2.232 965 D HA 0.085 4.741 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 -0.541 53.476 54.000 0.027 0.000 0.845 965 D CB 1.973 42.785 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 5.870 127.114 121.223 0.034 0.000 2.678 966 L HA 0.378 4.883 4.340 0.043 -0.139 0.250 966 L C -1.422 175.471 176.870 0.039 0.000 1.455 966 L CA -0.362 54.502 54.840 0.041 0.000 0.823 966 L CB 0.776 42.863 42.059 0.047 0.000 1.107 966 L HN 0.405 8.654 8.230 0.032 0.000 0.514 967 V N 0.593 120.527 119.914 0.033 0.000 2.707 967 V HA 0.278 4.418 4.120 0.034 0.000 0.271 967 V C -1.462 174.647 176.094 0.025 0.000 1.013 967 V CA 0.480 62.798 62.300 0.030 0.000 0.908 967 V CB 1.659 33.497 31.823 0.025 0.000 1.051 967 V HN -0.439 7.882 8.190 0.030 -0.113 0.476 968 M N 5.986 125.603 119.600 0.027 0.000 3.568 968 M HA 0.252 4.742 4.480 0.016 0.000 0.386 968 M C -0.762 175.548 176.300 0.018 0.000 1.765 968 M CA -0.418 54.894 55.300 0.020 0.000 0.568 968 M CB 0.998 33.609 32.600 0.019 0.000 1.428 968 M HN 0.390 8.700 8.290 0.033 0.000 0.493 969 G N -0.107 108.704 108.800 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 -1.596 173.319 174.900 0.025 0.000 1.388 969 G CA -0.412 44.698 45.100 0.018 0.000 1.087 969 G HN -0.396 7.906 8.290 0.020 0.000 0.596 970 Q N 2.107 121.920 119.800 0.022 0.000 2.036 970 Q HA 0.003 4.359 4.340 0.027 0.000 0.195 970 Q C 0.868 176.887 176.000 0.032 0.000 0.971 970 Q CA 0.680 56.498 55.803 0.025 0.000 0.826 970 Q CB 0.434 29.183 28.738 0.019 0.000 0.896 970 Q HN -0.064 8.217 8.270 0.018 0.000 0.449 971 L N 0.982 122.223 121.223 0.030 0.000 2.737 971 L HA -0.203 4.161 4.340 0.039 0.000 0.288 971 L C -1.262 175.645 176.870 0.062 0.000 1.185 971 L CA 0.313 55.177 54.840 0.040 0.000 1.127 971 L CB -1.168 40.909 42.059 0.030 0.000 1.432 971 L HN -0.311 7.933 8.230 0.023 0.000 0.449 972 A N 4.828 127.699 122.820 0.085 0.000 3.502 972 A HA 0.242 4.660 4.320 0.164 0.000 0.264 972 A C -1.461 176.250 177.584 0.211 0.000 1.099 972 A CA -0.657 51.470 52.037 0.150 0.000 0.690 972 A CB 1.251 20.323 19.000 0.120 0.000 1.449 972 A HN -0.235 7.955 8.150 0.067 0.000 0.700 973 H N -0.720 118.408 119.070 0.096 0.000 2.737 973 H HA 0.230 4.795 4.556 0.016 0.000 0.358 973 H C -1.442 173.889 175.328 0.004 0.000 1.187 973 H CA -0.842 55.218 56.048 0.021 0.000 1.221 973 H CB 2.389 32.108 29.762 -0.072 0.000 1.799 973 H HN 0.034 8.495 8.280 0.302 0.000 0.568 974 S N 0.702 116.260 115.700 -0.236 0.000 2.462 974 S HA 0.263 4.714 4.470 -0.031 0.000 0.294 974 S C -1.235 173.354 174.600 -0.019 0.000 1.144 974 S CA -0.568 57.573 58.200 -0.099 0.000 1.088 974 S CB -0.052 63.054 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 4.244 124.464 120.200 0.033 0.000 2.407 975 E HA 0.196 4.575 4.350 0.047 0.000 0.279 975 E C -2.402 174.253 176.600 0.093 0.000 1.012 975 E CA -0.637 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 0.336 8.721 8.360 0.042 0.000 0.452 976 E N -0.157 120.103 120.200 0.100 0.000 2.731 976 E HA 0.371 4.780 4.350 0.098 0.000 0.248 976 E C -2.333 174.331 176.600 0.107 0.000 1.084 976 E CA -1.808 54.649 56.400 0.094 0.000 0.776 976 E CB 0.572 30.308 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 -0.009 4.482 4.420 0.117 0.000 0.293 977 P C -1.535 175.799 177.300 0.056 0.000 1.298 977 P CA -0.348 62.807 63.100 0.092 0.000 0.757 977 P CB 1.045 32.743 31.700 -0.003 0.000 1.262 978 L N -1.572 119.673 121.223 0.037 0.000 2.333 978 L HA 0.442 4.818 4.340 0.062 0.000 0.263 978 L C -1.196 175.701 176.870 0.045 0.000 1.014 978 L CA -0.477 54.393 54.840 0.050 0.000 0.820 978 L CB 2.867 44.958 42.059 0.053 0.000 1.352 978 L HN 0.074 8.316 8.230 0.019 0.000 0.421 979 T N -2.183 112.417 114.554 0.076 0.000 2.956 979 T HA 0.237 4.623 4.350 0.061 0.000 0.312 979 T C -1.321 173.462 174.700 0.139 0.000 1.151 979 T CA -0.803 61.352 62.100 0.092 0.000 1.024 979 T CB 2.268 71.201 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 1.873 122.522 120.570 0.131 0.000 2.354 980 I HA 0.157 4.443 4.170 0.194 0.000 0.292 980 I C -2.096 174.150 176.117 0.215 0.000 0.989 980 I CA -1.717 59.682 61.300 0.165 0.000 1.188 980 I CB 0.872 38.934 38.000 0.104 0.000 1.342 980 I HN 0.321 8.586 8.210 0.092 0.000 0.457 981 F N 9.560 129.604 119.950 0.157 0.000 2.359 981 F HA 0.348 4.980 4.527 0.174 0.000 0.369 981 F C -1.830 174.139 175.800 0.281 0.000 1.084 981 F CA -1.498 56.634 58.000 0.220 0.000 1.096 981 F CB 1.761 40.939 39.000 0.297 0.000 1.335 981 F HN -0.152 8.389 8.300 0.401 0.000 0.457 982 S N 6.034 121.812 115.700 0.131 0.000 2.638 982 S HA 0.375 5.045 4.470 0.334 0.000 0.298 982 S C -1.254 173.402 174.600 0.093 0.000 1.111 982 S CA -1.653 56.653 58.200 0.177 0.000 1.027 982 S CB 2.531 65.767 63.200 0.061 0.000 1.064 982 S HN -0.264 7.994 8.310 -0.086 0.000 0.525 983 G N -2.270 106.504 108.800 -0.044 0.000 2.269 983 G HA2 0.174 4.353 3.960 0.129 0.000 0.297 983 G HA3 0.174 4.416 3.960 0.470 0.000 0.297 983 G C -3.013 171.324 174.900 -0.938 0.000 1.340 983 G CA 0.752 45.813 45.100 -0.065 0.000 1.240 983 G HN -0.214 7.959 8.290 -0.195 0.000 0.596 984 A N 3.808 126.434 122.820 -0.324 0.000 2.325 984 A HA 0.450 4.390 4.320 -0.632 0.000 0.333 984 A C -2.285 175.260 177.584 -0.065 0.000 1.155 984 A CA -2.080 49.749 52.037 -0.347 0.000 0.814 984 A CB 3.365 22.272 19.000 -0.155 0.000 1.206 984 A HN -0.134 7.977 8.150 -0.066 0.000 0.482 985 L N 0.664 121.842 121.223 -0.076 0.000 2.416 985 L HA -0.015 4.419 4.340 0.157 0.000 0.272 985 L C -0.884 176.035 176.870 0.083 0.000 1.161 985 L CA 1.305 56.182 54.840 0.060 0.000 0.845 985 L CB 0.763 42.829 42.059 0.012 0.000 1.119 985 L HN 0.124 8.266 8.230 -0.146 0.000 0.464 986 L N 8.834 130.140 121.223 0.138 0.000 2.453 986 L HA 0.321 4.718 4.340 0.093 0.000 0.190 986 L C -1.141 175.845 176.870 0.193 0.000 1.093 986 L CA 0.921 55.840 54.840 0.131 0.000 0.834 986 L CB 2.213 44.346 42.059 0.123 0.000 1.090 986 L HN 0.409 8.753 8.230 0.190 0.000 0.489 987 Y N -2.878 117.447 120.300 0.043 0.000 2.534 987 Y HA 0.230 4.795 4.550 0.025 0.000 0.345 987 Y C -1.981 173.941 175.900 0.037 0.000 1.031 987 Y CA -1.245 56.873 58.100 0.031 0.000 1.022 987 Y CB 3.752 42.225 38.460 0.021 0.000 1.292 987 Y HN -0.247 8.177 8.280 0.241 0.000 0.459 988 G N 3.238 111.706 108.800 -0.554 0.000 2.489 988 G HA2 0.230 4.134 3.960 -0.093 0.000 0.327 988 G HA3 0.230 4.042 3.960 -0.247 0.000 0.327 988 G C -1.771 172.929 174.900 -0.333 0.000 1.189 988 G CA -1.206 43.722 45.100 -0.287 0.000 0.962 988 G HN 0.193 7.873 8.290 -1.016 0.000 0.486 989 D N 0.631 120.974 120.400 -0.095 0.000 2.338 989 D HA 0.136 4.825 4.640 0.082 0.000 0.255 989 D C -0.740 175.530 176.300 -0.051 0.000 1.237 989 D CA -1.152 52.843 54.000 -0.008 0.000 0.883 989 D CB 0.739 41.557 40.800 0.030 0.000 1.087 989 D HN -0.186 8.151 8.370 -0.054 0.000 0.485 990 P HA 0.366 4.748 4.420 -0.064 0.000 0.219 990 P C -0.481 176.822 177.300 0.005 0.000 1.847 990 P CA -0.708 62.371 63.100 -0.035 0.000 1.059 990 P CB -0.951 30.734 31.700 -0.025 0.000 1.900 991 E N 0.182 120.380 120.200 -0.002 0.000 4.153 991 E HA -0.572 3.773 4.350 -0.008 0.000 0.193 991 E C -0.450 176.161 176.600 0.017 0.000 1.249 991 E CA 2.022 58.419 56.400 -0.006 0.000 2.292 991 E CB -1.673 28.009 29.700 -0.031 0.000 1.844 991 E HN -0.260 8.046 8.360 -0.010 0.048 0.356 992 L N -2.204 119.039 121.223 0.034 0.000 4.137 992 L HA -0.409 4.033 4.340 0.170 0.000 0.421 992 L C -1.203 175.749 176.870 0.138 0.000 1.162 992 L CA 0.604 55.514 54.840 0.116 0.000 0.978 992 L CB -0.839 41.299 42.059 0.132 0.000 1.957 992 L HN 0.072 8.274 8.230 0.021 0.040 0.978 993 E N -1.514 118.676 120.200 -0.016 0.000 2.250 993 E HA 0.032 4.464 4.350 0.138 0.000 0.269 993 E C -0.752 175.715 176.600 -0.221 0.000 1.018 993 E CA -0.160 56.247 56.400 0.011 0.000 0.873 993 E CB 1.184 30.869 29.700 -0.025 0.000 1.134 993 E HN -0.424 7.836 8.360 -0.082 0.050 0.403 994 H N 0.081 119.156 119.070 0.010 0.000 2.974 994 H HA 0.205 4.766 4.556 0.008 0.000 0.285 994 H C -0.093 175.238 175.328 0.006 0.000 1.227 994 H CA -0.371 55.682 56.048 0.008 0.000 1.569 994 H CB 0.249 30.015 29.762 0.008 0.000 1.648 994 H HN 0.292 8.676 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