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 1ywn_1_A DATA FIRST_RESID 818 DATA SEQUENCE LPYDASKWEF PRDRLKLGKP LGRGAFGQVI EADAFGIDKT ATCRTVAVKM DATA SEQUENCE LXXXXTHSEH RALMSELKIL IHIGHHLNVV NLLGACTKPG GPLMVIVEFC DATA SEQUENCE KFGNLSTYLR SKRNEFVPXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXF LTLEHLICYS FQVAKGMEFL DATA SEQUENCE ASRKCIHRDL AARNILLSEK NVVKICDXXX XXXIXKDPDX VRKGDARLPL DATA SEQUENCE KWMAPETIFD RVYTIQSDVW SFGVLLWEIF SLGASPYPGV KIDEEFCRRL DATA SEQUENCE KEGTRMRAPD YTTPEMYQTM LDCWHGEPSQ RPTFSELVEH LGNLLQANAQ DATA SEQUENCE QD 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 818 L HA 0.000 4.340 4.340 0.000 0.000 0.249 818 L C 0.000 176.921 176.870 0.085 0.000 1.165 818 L CA 0.000 54.869 54.840 0.049 0.000 0.813 818 L CB 0.000 42.085 42.059 0.044 0.000 0.961 819 P HA 0.191 4.611 4.420 0.000 0.000 0.274 819 P C -1.803 175.624 177.300 0.211 0.000 1.246 819 P CA -0.155 63.026 63.100 0.135 0.000 0.795 819 P CB 0.820 32.584 31.700 0.107 0.000 1.006 820 Y N 0.447 120.798 120.300 0.085 0.000 2.332 820 Y HA 0.238 4.785 4.550 -0.004 0.000 0.326 820 Y C -0.640 175.355 175.900 0.159 0.000 0.978 820 Y CA -1.133 57.037 58.100 0.117 0.000 1.205 820 Y CB 1.010 39.524 38.460 0.089 0.000 1.131 820 Y HN 0.242 8.522 8.280 0.000 0.000 0.462 821 D N 5.191 125.478 120.400 -0.189 0.000 2.402 821 D HA 0.239 4.877 4.640 -0.004 0.000 0.235 821 D C 0.841 176.861 176.300 -0.466 0.000 1.226 821 D CA 0.582 54.460 54.000 -0.202 0.000 0.918 821 D CB 1.179 41.949 40.800 -0.050 0.000 1.043 821 D HN 0.804 9.174 8.370 0.000 0.000 0.506 822 A N 3.029 125.606 122.820 -0.406 0.000 1.969 822 A HA -0.148 4.169 4.320 -0.004 0.000 0.218 822 A C 2.228 179.741 177.584 -0.119 0.000 1.169 822 A CA 1.377 53.256 52.037 -0.263 0.000 0.635 822 A CB -0.304 18.733 19.000 0.061 0.000 0.810 822 A HN 0.534 8.684 8.150 0.000 0.000 0.445 823 S N -0.448 115.183 115.700 -0.115 0.000 2.374 823 S HA -0.249 4.219 4.470 -0.004 0.000 0.227 823 S C 2.112 176.608 174.600 -0.174 0.000 1.037 823 S CA 2.153 60.290 58.200 -0.105 0.000 1.024 823 S CB -0.278 62.865 63.200 -0.096 0.000 0.861 823 S HN 0.659 8.969 8.310 0.000 0.000 0.456 824 K N -1.475 118.747 120.400 -0.297 0.000 2.076 824 K HA -0.037 4.280 4.320 -0.004 0.000 0.204 824 K C 1.527 177.754 176.600 -0.621 0.000 1.051 824 K CA 1.361 57.310 56.287 -0.565 0.000 0.949 824 K CB -0.136 31.858 32.500 -0.844 0.000 0.726 824 K HN 0.550 8.800 8.250 0.000 0.000 0.443 825 W N 0.602 121.843 121.300 -0.099 0.000 2.871 825 W HA 0.210 4.867 4.660 -0.005 0.000 0.267 825 W C 0.111 176.717 176.519 0.146 0.000 1.180 825 W CA -0.792 56.562 57.345 0.014 0.000 1.463 825 W CB 0.423 29.893 29.460 0.017 0.000 0.966 825 W HN -0.054 8.126 8.180 0.000 0.000 0.605 826 E N 1.318 121.708 120.200 0.317 0.000 2.376 826 E HA 0.134 4.482 4.350 -0.004 0.000 0.266 826 E C -1.189 175.598 176.600 0.311 0.000 1.009 826 E CA -0.052 56.559 56.400 0.351 0.000 0.902 826 E CB 0.243 30.104 29.700 0.269 0.000 0.972 826 E HN -0.064 8.296 8.360 0.000 0.000 0.439 827 F N 5.510 125.551 119.950 0.152 0.000 2.520 827 F HA 0.526 5.050 4.527 -0.005 0.000 0.322 827 F C -2.306 173.547 175.800 0.088 0.000 1.103 827 F CA -2.745 55.317 58.000 0.103 0.000 0.926 827 F CB 1.676 40.739 39.000 0.104 0.000 1.154 827 F HN 0.391 8.691 8.300 0.000 0.000 0.453 828 P HA 0.264 4.684 4.420 0.000 0.000 0.271 828 P C 0.128 177.307 177.300 -0.202 0.000 1.226 828 P CA -0.038 62.863 63.100 -0.330 0.000 0.765 828 P CB 0.765 32.241 31.700 -0.374 0.000 0.835 829 R N 2.240 122.727 120.500 -0.023 0.000 2.120 829 R HA -0.143 4.195 4.340 -0.004 0.000 0.234 829 R C 1.150 177.467 176.300 0.029 0.000 1.123 829 R CA 1.709 57.840 56.100 0.050 0.000 0.975 829 R CB -0.411 29.919 30.300 0.050 0.000 0.866 829 R HN 0.617 8.887 8.270 0.000 0.000 0.446 830 D N -0.135 120.253 120.400 -0.020 0.000 2.371 830 D HA -0.126 4.511 4.640 -0.004 0.000 0.221 830 D C 1.023 177.323 176.300 0.000 0.000 0.986 830 D CA 0.711 54.704 54.000 -0.012 0.000 0.899 830 D CB -0.112 40.674 40.800 -0.024 0.000 0.902 830 D HN 0.104 8.474 8.370 0.000 0.000 0.530 831 R N -0.388 120.103 120.500 -0.015 0.000 2.427 831 R HA 0.361 4.698 4.340 -0.004 0.000 0.262 831 R C -0.134 176.360 176.300 0.323 0.000 0.943 831 R CA -0.231 55.928 56.100 0.098 0.000 1.081 831 R CB 0.507 30.755 30.300 -0.087 0.000 1.166 831 R HN 0.153 8.423 8.270 0.000 0.000 0.534 832 L N 1.476 122.847 121.223 0.248 0.000 2.298 832 L HA 0.358 4.696 4.340 -0.004 0.000 0.284 832 L C -0.389 176.546 176.870 0.109 0.000 1.013 832 L CA -0.621 54.350 54.840 0.219 0.000 0.824 832 L CB 1.712 43.901 42.059 0.216 0.000 1.221 832 L HN -0.105 8.125 8.230 0.000 0.000 0.418 833 K N 4.965 125.413 120.400 0.079 0.000 2.253 833 K HA 0.451 4.768 4.320 -0.004 0.000 0.277 833 K C -0.561 176.047 176.600 0.014 0.000 1.053 833 K CA -0.623 55.686 56.287 0.036 0.000 0.892 833 K CB 0.830 33.345 32.500 0.025 0.000 1.102 833 K HN 0.525 8.775 8.250 0.000 0.000 0.469 834 L N 3.699 124.928 121.223 0.009 0.000 2.499 834 L HA 0.144 4.482 4.340 -0.004 0.000 0.273 834 L C 0.972 177.830 176.870 -0.021 0.000 1.195 834 L CA 0.135 54.973 54.840 -0.003 0.000 0.882 834 L CB 0.584 42.643 42.059 0.002 0.000 1.133 834 L HN 0.891 9.121 8.230 0.000 0.000 0.483 835 G N 2.557 111.334 108.800 -0.038 0.000 3.257 835 G HA2 0.409 4.367 3.960 -0.004 0.000 0.205 835 G HA3 0.409 4.367 3.960 -0.004 0.000 0.205 835 G C -1.075 173.799 174.900 -0.044 0.000 1.234 835 G CA -0.753 44.315 45.100 -0.053 0.000 0.918 835 G HN 0.617 8.907 8.290 0.000 0.000 0.602 836 K N 0.617 120.986 120.400 -0.052 0.000 2.350 836 K HA 0.369 4.687 4.320 -0.004 0.000 0.279 836 K C -2.676 173.912 176.600 -0.020 0.000 1.027 836 K CA -1.065 55.204 56.287 -0.030 0.000 0.969 836 K CB 1.080 33.565 32.500 -0.025 0.000 0.954 836 K HN -0.008 8.242 8.250 0.000 0.000 0.474 837 P HA -0.050 4.370 4.420 0.000 0.000 0.264 837 P C -0.306 176.998 177.300 0.006 0.000 1.193 837 P CA 0.145 63.242 63.100 -0.004 0.000 0.763 837 P CB 0.442 32.140 31.700 -0.003 0.000 0.810 838 L N 2.020 123.250 121.223 0.012 0.000 2.693 838 L HA 0.428 4.765 4.340 -0.004 0.000 0.235 838 L C 0.867 177.741 176.870 0.007 0.000 1.127 838 L CA 0.176 55.032 54.840 0.028 0.000 0.914 838 L CB 0.029 42.122 42.059 0.058 0.000 1.193 838 L HN 0.640 8.870 8.230 0.000 0.000 0.502 839 G N 1.196 109.992 108.800 -0.007 0.000 2.306 839 G HA2 0.077 4.035 3.960 -0.004 0.000 0.340 839 G HA3 0.077 4.035 3.960 -0.004 0.000 0.340 839 G C -1.316 173.563 174.900 -0.035 0.000 1.630 839 G CA -1.066 44.021 45.100 -0.022 0.000 0.937 839 G HN 0.125 8.415 8.290 0.000 0.000 0.693 840 R N 0.953 121.431 120.500 -0.036 0.000 2.494 840 R HA 0.835 5.172 4.340 -0.004 0.000 0.305 840 R C 0.387 176.652 176.300 -0.059 0.000 0.959 840 R CA -0.437 55.636 56.100 -0.044 0.000 0.864 840 R CB 2.172 32.459 30.300 -0.023 0.000 1.159 840 R HN 1.021 9.291 8.270 0.000 0.000 0.446 841 G N 0.423 109.162 108.800 -0.100 0.000 2.795 841 G HA2 0.441 4.399 3.960 -0.004 0.000 0.267 841 G HA3 0.441 4.399 3.960 -0.004 0.000 0.267 841 G C 0.621 175.483 174.900 -0.062 0.000 1.362 841 G CA -0.441 44.587 45.100 -0.120 0.000 1.048 841 G HN 0.615 8.905 8.290 0.000 0.000 0.547 842 A N -0.878 121.939 122.820 -0.005 0.000 1.940 842 A HA 0.188 4.506 4.320 -0.004 0.000 0.219 842 A C 0.664 178.397 177.584 0.249 0.000 1.176 842 A CA 1.569 53.696 52.037 0.151 0.000 0.631 842 A CB -0.737 18.428 19.000 0.275 0.000 0.814 842 A HN 1.120 9.270 8.150 0.000 0.000 0.446 843 F N -3.057 116.881 119.950 -0.019 0.000 2.612 843 F HA 0.633 5.158 4.527 -0.004 0.000 0.332 843 F C 0.061 175.845 175.800 -0.026 0.000 1.167 843 F CA -1.275 56.712 58.000 -0.023 0.000 0.970 843 F CB 0.513 39.496 39.000 -0.029 0.000 1.234 843 F HN 0.778 9.078 8.300 0.000 0.000 0.453 844 G N 3.185 111.982 108.800 -0.006 0.000 3.338 844 G HA2 0.157 4.115 3.960 -0.004 0.000 0.686 844 G HA3 0.157 4.115 3.960 -0.004 0.000 0.686 844 G C -1.376 173.473 174.900 -0.085 0.000 1.053 844 G CA -0.625 44.439 45.100 -0.060 0.000 0.852 844 G HN 1.241 9.531 8.290 0.000 0.000 0.545 845 Q N 0.381 120.154 119.800 -0.046 0.000 2.245 845 Q HA 0.798 5.135 4.340 -0.004 0.000 0.256 845 Q C -0.434 175.544 176.000 -0.037 0.000 0.942 845 Q CA -1.168 54.611 55.803 -0.041 0.000 0.896 845 Q CB 2.687 31.413 28.738 -0.020 0.000 1.272 845 Q HN 0.663 8.933 8.270 0.000 0.000 0.442 846 V N 4.091 123.984 119.914 -0.035 0.000 2.581 846 V HA 0.605 4.722 4.120 -0.004 0.000 0.303 846 V C -0.014 176.076 176.094 -0.007 0.000 1.041 846 V CA -0.756 61.531 62.300 -0.021 0.000 0.907 846 V CB 1.286 33.096 31.823 -0.022 0.000 0.994 846 V HN 0.868 9.058 8.190 0.000 0.000 0.442 847 I N -0.114 120.454 120.570 -0.003 0.000 2.828 847 I HA 0.693 4.860 4.170 -0.004 0.000 0.302 847 I C -0.321 175.783 176.117 -0.022 0.000 1.101 847 I CA -0.882 60.413 61.300 -0.010 0.000 1.031 847 I CB 2.183 40.175 38.000 -0.014 0.000 1.231 847 I HN 0.499 8.709 8.210 0.000 0.000 0.427 848 E N 2.638 122.804 120.200 -0.057 0.000 2.373 848 E HA 0.623 4.971 4.350 -0.004 0.000 0.263 848 E C -0.467 176.055 176.600 -0.131 0.000 1.073 848 E CA -0.565 55.738 56.400 -0.161 0.000 0.894 848 E CB 1.439 30.967 29.700 -0.286 0.000 1.008 848 E HN 0.783 9.143 8.360 0.000 0.000 0.420 849 A N 2.471 125.198 122.820 -0.155 0.000 2.587 849 A HA 0.330 4.648 4.320 -0.004 0.000 0.293 849 A C -1.411 176.110 177.584 -0.106 0.000 1.087 849 A CA -0.791 51.191 52.037 -0.093 0.000 0.692 849 A CB 1.661 20.642 19.000 -0.032 0.000 1.291 849 A HN 0.583 8.733 8.150 0.000 0.000 0.407 850 D N 1.178 121.549 120.400 -0.048 0.000 2.280 850 D HA 0.537 5.175 4.640 -0.004 0.000 0.236 850 D C -0.374 175.961 176.300 0.058 0.000 1.082 850 D CA 0.312 54.302 54.000 -0.017 0.000 0.834 850 D CB 1.793 42.592 40.800 -0.002 0.000 1.100 850 D HN 0.719 9.089 8.370 0.000 0.000 0.486 851 A N 3.414 126.267 122.820 0.055 0.000 2.271 851 A HA 0.383 4.700 4.320 -0.004 0.000 0.317 851 A C -0.807 176.918 177.584 0.235 0.000 1.245 851 A CA -0.651 51.466 52.037 0.132 0.000 0.857 851 A CB 0.500 19.424 19.000 -0.125 0.000 1.175 851 A HN 0.497 8.647 8.150 0.000 0.000 0.512 852 F N 3.090 123.182 119.950 0.236 0.000 2.420 852 F HA 0.505 5.032 4.527 -0.000 0.000 0.352 852 F C 1.189 177.147 175.800 0.264 0.000 1.108 852 F CA 0.465 58.569 58.000 0.173 0.000 1.162 852 F CB 0.939 40.006 39.000 0.111 0.000 1.118 852 F HN 1.164 9.464 8.300 0.000 0.000 0.510 853 G N 5.701 114.164 108.800 -0.562 0.000 2.147 853 G HA2 -0.352 3.605 3.960 -0.004 0.000 0.244 853 G HA3 -0.352 3.605 3.960 -0.004 0.000 0.244 853 G C 0.984 175.860 174.900 -0.040 0.000 1.005 853 G CA 0.424 45.238 45.100 -0.477 0.000 0.713 853 G HN 0.837 9.127 8.290 0.000 0.000 0.515 854 I N 0.632 121.185 120.570 -0.030 0.000 2.676 854 I HA -0.003 4.165 4.170 -0.004 0.000 0.259 854 I C 1.844 177.910 176.117 -0.086 0.000 1.194 854 I CA 1.798 63.025 61.300 -0.121 0.000 1.473 854 I CB 0.135 37.825 38.000 -0.517 0.000 1.096 854 I HN 0.304 8.514 8.210 0.000 0.000 0.443 855 D N -0.155 120.189 120.400 -0.094 0.000 2.463 855 D HA 0.025 4.662 4.640 -0.004 0.000 0.224 855 D C 0.772 177.020 176.300 -0.086 0.000 1.174 855 D CA -0.151 53.798 54.000 -0.085 0.000 0.829 855 D CB -0.024 40.727 40.800 -0.082 0.000 0.993 855 D HN 0.275 8.645 8.370 0.000 0.000 0.497 856 K N -1.234 119.115 120.400 -0.085 0.000 3.587 856 K HA -0.178 4.139 4.320 -0.004 0.000 0.294 856 K C 0.414 176.948 176.600 -0.111 0.000 1.279 856 K CA 1.535 57.770 56.287 -0.087 0.000 1.004 856 K CB -2.387 30.070 32.500 -0.071 0.000 1.276 856 K HN 0.561 8.811 8.250 0.000 0.000 0.459 857 T N -1.789 112.689 114.554 -0.127 0.000 2.847 857 T HA 0.584 4.932 4.350 -0.004 0.000 0.279 857 T C 0.733 175.309 174.700 -0.207 0.000 0.984 857 T CA -0.248 61.781 62.100 -0.119 0.000 0.988 857 T CB 1.772 70.591 68.868 -0.082 0.000 1.040 857 T HN 0.246 8.486 8.240 0.000 0.000 0.528 858 A N 1.878 124.619 122.820 -0.131 0.000 2.916 858 A HA 0.461 4.778 4.320 -0.004 0.000 0.254 858 A C 0.935 178.513 177.584 -0.011 0.000 1.544 858 A CA -0.481 51.489 52.037 -0.111 0.000 1.224 858 A CB -1.627 17.437 19.000 0.107 0.000 1.012 858 A HN 1.027 9.177 8.150 0.000 0.000 0.636 859 T N -3.223 111.241 114.554 -0.152 0.000 2.912 859 T HA 0.520 4.867 4.350 -0.004 0.000 0.288 859 T C -0.328 174.398 174.700 0.044 0.000 1.030 859 T CA -0.807 61.297 62.100 0.007 0.000 1.020 859 T CB 1.275 70.130 68.868 -0.021 0.000 1.056 859 T HN 0.195 8.435 8.240 0.000 0.000 0.480 860 C N 2.093 121.489 119.300 0.161 0.000 2.307 860 C HA 0.765 5.222 4.460 -0.004 0.000 0.340 860 C C 0.560 175.584 174.990 0.057 0.000 1.275 860 C CA -0.668 58.448 59.018 0.164 0.000 1.811 860 C CB -0.406 27.434 27.740 0.167 0.000 2.372 860 C HN 0.992 9.222 8.230 0.000 0.000 0.531 861 R N 1.837 122.352 120.500 0.024 0.000 2.621 861 R HA 0.471 4.809 4.340 -0.004 0.000 0.292 861 R C -0.591 175.683 176.300 -0.043 0.000 0.969 861 R CA -0.172 55.920 56.100 -0.013 0.000 0.887 861 R CB 1.201 31.482 30.300 -0.033 0.000 1.180 861 R HN 0.753 9.023 8.270 0.000 0.000 0.450 862 T N 3.625 118.137 114.554 -0.070 0.000 2.884 862 T HA 0.342 4.690 4.350 -0.004 0.000 0.298 862 T C -0.109 174.520 174.700 -0.118 0.000 0.998 862 T CA -0.328 61.663 62.100 -0.182 0.000 1.124 862 T CB 0.916 69.568 68.868 -0.361 0.000 0.931 862 T HN 0.443 8.683 8.240 0.000 0.000 0.531 863 V N -0.380 119.443 119.914 -0.151 0.000 3.160 863 V HA 1.007 5.124 4.120 -0.004 0.000 0.310 863 V C -0.637 175.440 176.094 -0.029 0.000 1.181 863 V CA -1.655 60.624 62.300 -0.035 0.000 1.047 863 V CB 1.712 33.494 31.823 -0.068 0.000 1.068 863 V HN 0.984 9.174 8.190 0.000 0.000 0.441 864 A N 1.256 124.126 122.820 0.083 0.000 2.304 864 A HA 0.859 5.177 4.320 -0.004 0.000 0.323 864 A C -0.679 176.921 177.584 0.026 0.000 1.195 864 A CA -0.650 51.441 52.037 0.089 0.000 0.826 864 A CB 1.333 20.432 19.000 0.164 0.000 1.184 864 A HN 1.385 9.535 8.150 0.000 0.000 0.496 865 V N 2.858 122.776 119.914 0.007 0.000 2.409 865 V HA 0.362 4.479 4.120 -0.004 0.000 0.291 865 V C 0.074 176.164 176.094 -0.007 0.000 1.020 865 V CA -0.661 61.638 62.300 -0.001 0.000 0.848 865 V CB 1.484 33.308 31.823 0.002 0.000 0.990 865 V HN 0.922 9.112 8.190 0.000 0.000 0.430 866 K N 6.495 126.885 120.400 -0.017 0.000 2.227 866 K HA 0.768 5.086 4.320 -0.004 0.000 0.280 866 K C -0.456 176.128 176.600 -0.026 0.000 1.041 866 K CA -0.396 55.872 56.287 -0.031 0.000 0.905 866 K CB 0.809 33.280 32.500 -0.048 0.000 1.068 866 K HN 0.833 9.083 8.250 0.000 0.000 0.470 867 M N 2.806 122.393 119.600 -0.021 0.000 2.593 867 M HA 0.405 4.883 4.480 -0.004 0.000 0.290 867 M C -1.104 175.193 176.300 -0.005 0.000 1.244 867 M CA -1.120 54.173 55.300 -0.010 0.000 0.857 867 M CB 1.265 33.867 32.600 0.003 0.000 1.738 867 M HN 0.294 8.584 8.290 0.000 0.000 0.461 874 H N 0.825 119.902 119.070 0.012 0.000 2.387 874 H HA 0.075 4.629 4.556 -0.004 0.000 0.299 874 H C 2.334 177.691 175.328 0.047 0.000 1.090 874 H CA 2.872 58.933 56.048 0.022 0.000 1.332 874 H CB -0.212 29.546 29.762 -0.008 0.000 1.386 874 H HN 0.575 8.855 8.280 0.000 0.000 0.516 875 S N -0.464 115.211 115.700 -0.041 0.000 2.368 875 S HA -0.169 4.299 4.470 -0.004 0.000 0.225 875 S C 1.945 176.480 174.600 -0.108 0.000 1.030 875 S CA 1.657 59.788 58.200 -0.115 0.000 0.999 875 S CB -0.136 63.021 63.200 -0.072 0.000 0.844 875 S HN 0.660 8.970 8.310 0.000 0.000 0.459 876 E N -0.674 119.505 120.200 -0.035 0.000 2.046 876 E HA -0.135 4.213 4.350 -0.004 0.000 0.190 876 E C 1.992 178.597 176.600 0.008 0.000 0.982 876 E CA 1.222 57.625 56.400 0.006 0.000 0.800 876 E CB -0.287 29.445 29.700 0.053 0.000 0.756 876 E HN 0.711 9.071 8.360 0.000 0.000 0.449 877 H N 0.891 119.923 119.070 -0.064 0.000 2.319 877 H HA -0.109 4.444 4.556 -0.004 0.000 0.299 877 H C 2.173 177.424 175.328 -0.128 0.000 1.092 877 H CA 2.137 58.142 56.048 -0.072 0.000 1.302 877 H CB 0.140 29.879 29.762 -0.040 0.000 1.373 877 H HN -0.083 8.197 8.280 0.000 0.000 0.497 878 R N -0.137 120.285 120.500 -0.131 0.000 2.081 878 R HA -0.120 4.218 4.340 -0.004 0.000 0.235 878 R C 2.366 178.574 176.300 -0.155 0.000 1.131 878 R CA 1.277 57.259 56.100 -0.196 0.000 0.960 878 R CB -0.382 29.725 30.300 -0.321 0.000 0.856 878 R HN 0.421 8.691 8.270 0.000 0.000 0.436 879 A N 0.681 123.428 122.820 -0.123 0.000 1.898 879 A HA -0.133 4.185 4.320 -0.004 0.000 0.216 879 A C 1.987 179.536 177.584 -0.058 0.000 1.181 879 A CA 1.127 53.122 52.037 -0.070 0.000 0.620 879 A CB -0.517 18.468 19.000 -0.025 0.000 0.819 879 A HN 0.377 8.527 8.150 0.000 0.000 0.442 880 L N -1.538 119.632 121.223 -0.089 0.000 2.109 880 L HA -0.007 4.330 4.340 -0.004 0.000 0.207 880 L C 2.336 179.099 176.870 -0.178 0.000 1.086 880 L CA 2.242 57.013 54.840 -0.115 0.000 0.760 880 L CB -0.509 41.474 42.059 -0.127 0.000 0.910 880 L HN 0.380 8.610 8.230 0.000 0.000 0.437 881 M N -1.282 118.164 119.600 -0.256 0.000 2.159 881 M HA -0.162 4.315 4.480 -0.004 0.000 0.263 881 M C 2.538 178.747 176.300 -0.151 0.000 1.063 881 M CA 1.776 56.932 55.300 -0.241 0.000 1.110 881 M CB -0.533 31.909 32.600 -0.263 0.000 1.374 881 M HN 0.373 8.663 8.290 0.000 0.000 0.411 882 S N -0.380 115.247 115.700 -0.122 0.000 2.356 882 S HA -0.228 4.240 4.470 -0.004 0.000 0.223 882 S C 1.952 176.501 174.600 -0.084 0.000 1.032 882 S CA 1.865 60.011 58.200 -0.090 0.000 1.005 882 S CB -0.411 62.741 63.200 -0.081 0.000 0.867 882 S HN 0.669 8.979 8.310 0.000 0.000 0.449 883 E N 0.045 120.196 120.200 -0.082 0.000 2.085 883 E HA -0.195 4.153 4.350 -0.004 0.000 0.194 883 E C 2.091 178.634 176.600 -0.096 0.000 0.994 883 E CA 1.461 57.816 56.400 -0.076 0.000 0.801 883 E CB -0.361 29.299 29.700 -0.066 0.000 0.743 883 E HN 0.467 8.827 8.360 0.000 0.000 0.453 884 L N 1.200 122.350 121.223 -0.121 0.000 2.012 884 L HA -0.206 4.131 4.340 -0.004 0.000 0.210 884 L C 1.926 178.708 176.870 -0.147 0.000 1.073 884 L CA 1.955 56.704 54.840 -0.152 0.000 0.748 884 L CB -0.441 41.511 42.059 -0.177 0.000 0.891 884 L HN -0.019 8.211 8.230 0.000 0.000 0.431 885 K N -0.079 120.261 120.400 -0.100 0.000 2.097 885 K HA -0.016 4.301 4.320 -0.004 0.000 0.205 885 K C 2.186 178.769 176.600 -0.027 0.000 1.050 885 K CA 1.720 57.975 56.287 -0.053 0.000 0.938 885 K CB -0.704 31.777 32.500 -0.032 0.000 0.718 885 K HN 0.417 8.667 8.250 0.000 0.000 0.442 886 I N 0.591 121.138 120.570 -0.038 0.000 2.179 886 I HA -0.270 3.898 4.170 -0.004 0.000 0.242 886 I C 2.116 178.248 176.117 0.024 0.000 1.088 886 I CA 1.021 62.321 61.300 -0.001 0.000 1.357 886 I CB -0.229 37.751 38.000 -0.033 0.000 1.051 886 I HN 0.021 8.231 8.210 0.000 0.000 0.409 887 L N 0.206 121.402 121.223 -0.045 0.000 2.083 887 L HA -0.229 4.108 4.340 -0.004 0.000 0.209 887 L C 2.489 179.300 176.870 -0.097 0.000 1.083 887 L CA 1.458 56.258 54.840 -0.065 0.000 0.752 887 L CB -0.415 41.572 42.059 -0.120 0.000 0.899 887 L HN 0.228 8.458 8.230 0.000 0.000 0.433 888 I N -0.979 119.483 120.570 -0.180 0.000 2.226 888 I HA -0.341 3.827 4.170 -0.004 0.000 0.245 888 I C 2.608 178.754 176.117 0.049 0.000 1.100 888 I CA 1.373 62.566 61.300 -0.179 0.000 1.374 888 I CB -0.404 37.452 38.000 -0.240 0.000 1.057 888 I HN 0.309 8.519 8.210 0.000 0.000 0.413 889 H N 1.333 120.397 119.070 -0.011 0.000 2.319 889 H HA -0.179 4.374 4.556 -0.004 0.000 0.299 889 H C 2.145 177.491 175.328 0.030 0.000 1.092 889 H CA 2.066 58.124 56.048 0.016 0.000 1.302 889 H CB -0.169 29.586 29.762 -0.011 0.000 1.373 889 H HN 0.214 8.494 8.280 0.000 0.000 0.497 890 I N -0.067 120.487 120.570 -0.027 0.000 2.127 890 I HA -0.142 4.025 4.170 -0.004 0.000 0.241 890 I C 1.732 177.902 176.117 0.088 0.000 1.075 890 I CA 1.135 62.411 61.300 -0.041 0.000 1.334 890 I CB -0.735 37.322 38.000 0.096 0.000 1.040 890 I HN 0.699 8.909 8.210 0.000 0.000 0.405 891 G N -0.240 108.660 108.800 0.168 0.000 2.681 891 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.220 891 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.220 891 G C -0.323 174.778 174.900 0.335 0.000 1.353 891 G CA -0.098 45.170 45.100 0.280 0.000 0.872 891 G HN 0.545 8.835 8.290 0.000 0.000 0.557 892 H N 0.922 120.105 119.070 0.189 0.000 2.489 892 H HA 0.633 5.186 4.556 -0.004 0.000 0.322 892 H C -0.694 174.470 175.328 -0.272 0.000 1.091 892 H CA -0.055 56.003 56.048 0.018 0.000 1.291 892 H CB 1.007 30.779 29.762 0.017 0.000 1.436 892 H HN 0.772 9.052 8.280 0.000 0.000 0.480 893 H N 5.007 123.335 119.070 -1.236 0.000 2.996 893 H HA -0.001 4.552 4.556 -0.004 0.000 0.368 893 H C 0.109 174.890 175.328 -0.912 0.000 1.185 893 H CA -0.623 54.668 56.048 -1.262 0.000 1.160 893 H CB 1.906 30.719 29.762 -1.582 0.000 1.820 893 H HN 0.599 8.879 8.280 0.000 0.000 0.547 894 L N 3.887 124.556 121.223 -0.924 0.000 2.081 894 L HA -0.150 4.188 4.340 -0.004 0.000 0.212 894 L C 0.356 177.141 176.870 -0.141 0.000 1.080 894 L CA 2.180 56.778 54.840 -0.404 0.000 0.754 894 L CB -0.454 41.403 42.059 -0.336 0.000 0.893 894 L HN 0.609 8.839 8.230 0.000 0.000 0.433 895 N N -1.798 116.952 118.700 0.084 0.000 2.279 895 N HA 0.222 4.959 4.740 -0.004 0.000 0.226 895 N C -1.071 174.448 175.510 0.015 0.000 1.126 895 N CA -0.228 52.867 53.050 0.074 0.000 0.846 895 N CB 0.890 39.431 38.487 0.090 0.000 1.050 895 N HN 0.060 8.440 8.380 0.000 0.000 0.502 896 V N 0.695 120.596 119.914 -0.021 0.000 2.735 896 V HA 0.244 4.362 4.120 -0.004 0.000 0.310 896 V C 0.057 176.139 176.094 -0.020 0.000 1.061 896 V CA -1.108 61.184 62.300 -0.012 0.000 0.913 896 V CB 2.420 34.257 31.823 0.022 0.000 1.005 896 V HN -0.156 8.034 8.190 0.000 0.000 0.428 897 V N 5.003 124.917 119.914 0.001 0.000 2.557 897 V HA 0.093 4.210 4.120 -0.004 0.000 0.301 897 V C 0.239 176.343 176.094 0.017 0.000 1.026 897 V CA 0.445 62.746 62.300 0.001 0.000 1.137 897 V CB 0.291 32.113 31.823 -0.002 0.000 0.917 897 V HN 1.031 9.221 8.190 0.000 0.000 0.484 898 N N 5.218 123.939 118.700 0.037 0.000 2.405 898 N HA 0.507 5.245 4.740 -0.004 0.000 0.299 898 N C -0.810 174.746 175.510 0.077 0.000 1.075 898 N CA -0.798 52.301 53.050 0.081 0.000 0.884 898 N CB 1.660 40.247 38.487 0.168 0.000 1.194 898 N HN 0.679 9.059 8.380 0.000 0.000 0.491 899 L N 2.420 123.683 121.223 0.067 0.000 2.455 899 L HA 0.132 4.470 4.340 -0.004 0.000 0.272 899 L C 0.058 177.040 176.870 0.186 0.000 1.174 899 L CA 0.628 55.486 54.840 0.030 0.000 0.869 899 L CB 0.168 42.121 42.059 -0.176 0.000 1.130 899 L HN 0.691 8.921 8.230 0.000 0.000 0.474 900 L N 4.472 125.785 121.223 0.150 0.000 2.537 900 L HA 0.537 4.875 4.340 -0.004 0.000 0.224 900 L C 0.941 177.957 176.870 0.243 0.000 1.065 900 L CA 0.337 55.278 54.840 0.168 0.000 0.860 900 L CB -0.057 42.005 42.059 0.006 0.000 1.086 900 L HN 0.828 9.058 8.230 0.000 0.000 0.482 901 G N -0.461 108.480 108.800 0.235 0.000 2.349 901 G HA2 0.637 4.595 3.960 -0.004 0.000 0.294 901 G HA3 0.637 4.595 3.960 -0.004 0.000 0.294 901 G C -2.220 172.819 174.900 0.232 0.000 1.380 901 G CA 0.105 45.395 45.100 0.317 0.000 0.811 901 G HN 0.085 8.375 8.290 0.000 0.000 0.519 902 A N -1.597 121.411 122.820 0.313 0.000 2.609 902 A HA 0.729 5.047 4.320 -0.004 0.000 0.291 902 A C -1.048 176.686 177.584 0.250 0.000 1.096 902 A CA -0.336 51.830 52.037 0.216 0.000 0.684 902 A CB 1.250 20.348 19.000 0.163 0.000 1.282 902 A HN 1.741 9.891 8.150 0.000 0.000 0.412 903 C N 1.571 120.962 119.300 0.151 0.000 2.356 903 C HA 0.634 5.092 4.460 -0.004 0.000 0.324 903 C C 1.368 176.396 174.990 0.063 0.000 1.167 903 C CA 0.235 59.335 59.018 0.138 0.000 1.420 903 C CB -0.131 27.689 27.740 0.133 0.000 2.036 903 C HN 1.013 9.243 8.230 0.000 0.000 0.435 904 T N -1.445 113.142 114.554 0.055 0.000 2.958 904 T HA 0.114 4.462 4.350 -0.004 0.000 0.256 904 T C 0.497 175.223 174.700 0.044 0.000 0.983 904 T CA -0.158 61.935 62.100 -0.011 0.000 0.924 904 T CB 0.036 68.791 68.868 -0.189 0.000 1.136 904 T HN 0.739 8.979 8.240 0.000 0.000 0.506 905 K N 2.327 122.774 120.400 0.078 0.000 2.355 905 K HA 0.453 4.770 4.320 -0.004 0.000 0.270 905 K C -2.707 173.928 176.600 0.058 0.000 1.003 905 K CA -1.499 54.833 56.287 0.075 0.000 0.957 905 K CB -0.470 32.080 32.500 0.083 0.000 0.939 905 K HN -0.020 8.230 8.250 0.000 0.000 0.482 906 P HA -0.002 4.418 4.420 0.000 0.000 0.269 906 P C 0.572 177.892 177.300 0.033 0.000 1.217 906 P CA 0.722 63.843 63.100 0.037 0.000 0.783 906 P CB 0.433 32.149 31.700 0.027 0.000 0.898 907 G N -0.779 108.038 108.800 0.028 0.000 2.195 907 G HA2 0.019 3.977 3.960 -0.004 0.000 0.224 907 G HA3 0.019 3.977 3.960 -0.004 0.000 0.224 907 G C 0.312 175.228 174.900 0.027 0.000 0.990 907 G CA -0.190 44.924 45.100 0.024 0.000 0.639 907 G HN 0.959 9.249 8.290 0.000 0.000 0.514 908 G N -0.721 108.100 108.800 0.035 0.000 2.727 908 G HA2 0.774 4.731 3.960 -0.004 0.000 0.289 908 G HA3 0.774 4.731 3.960 -0.004 0.000 0.289 908 G C -3.050 171.877 174.900 0.045 0.000 1.418 908 G CA -0.473 44.649 45.100 0.037 0.000 0.818 908 G HN 0.226 8.516 8.290 0.000 0.000 0.486 909 P HA 0.340 4.760 4.420 0.000 0.000 0.272 909 P C -0.313 177.017 177.300 0.050 0.000 1.223 909 P CA -0.619 62.510 63.100 0.048 0.000 0.784 909 P CB 0.809 32.532 31.700 0.038 0.000 0.923 910 L N 2.976 124.230 121.223 0.052 0.000 2.410 910 L HA 0.284 4.621 4.340 -0.004 0.000 0.273 910 L C -0.495 176.372 176.870 -0.006 0.000 1.144 910 L CA 1.001 55.849 54.840 0.013 0.000 0.863 910 L CB -0.617 41.419 42.059 -0.038 0.000 1.140 910 L HN 0.292 8.522 8.230 0.000 0.000 0.463 911 M N 5.268 124.866 119.600 -0.002 0.000 2.386 911 M HA 0.463 4.941 4.480 -0.004 0.000 0.293 911 M C -1.329 174.970 176.300 -0.002 0.000 1.120 911 M CA -0.744 54.560 55.300 0.007 0.000 0.909 911 M CB 2.319 34.945 32.600 0.042 0.000 1.661 911 M HN 0.246 8.536 8.290 0.000 0.000 0.452 912 V N 4.342 124.244 119.914 -0.019 0.000 2.409 912 V HA 0.537 4.655 4.120 -0.004 0.000 0.291 912 V C -0.481 175.606 176.094 -0.012 0.000 1.020 912 V CA -0.539 61.745 62.300 -0.026 0.000 0.848 912 V CB 1.808 33.594 31.823 -0.062 0.000 0.990 912 V HN 0.698 8.888 8.190 0.000 0.000 0.430 913 I N 6.181 126.751 120.570 -0.000 0.000 2.339 913 I HA 0.609 4.777 4.170 -0.004 0.000 0.290 913 I C -0.107 176.006 176.117 -0.008 0.000 0.994 913 I CA -0.656 60.637 61.300 -0.012 0.000 1.191 913 I CB 1.670 39.642 38.000 -0.047 0.000 1.343 913 I HN 0.537 8.747 8.210 0.000 0.000 0.458 914 V N 1.650 121.564 119.914 0.000 0.000 3.126 914 V HA 0.550 4.668 4.120 -0.004 0.000 0.314 914 V C -0.152 175.964 176.094 0.037 0.000 1.138 914 V CA -1.014 61.295 62.300 0.016 0.000 1.034 914 V CB 1.678 33.506 31.823 0.007 0.000 1.075 914 V HN 0.690 8.880 8.190 0.000 0.000 0.442 915 E N 1.308 121.535 120.200 0.044 0.000 2.452 915 E HA 0.138 4.486 4.350 -0.004 0.000 0.261 915 E C -1.094 175.565 176.600 0.097 0.000 0.987 915 E CA 0.158 56.595 56.400 0.062 0.000 0.926 915 E CB 0.536 30.262 29.700 0.042 0.000 0.934 915 E HN 0.596 8.956 8.360 0.000 0.000 0.452 916 F N 3.166 123.090 119.950 -0.044 0.000 2.410 916 F HA 0.220 4.745 4.527 -0.002 0.000 0.348 916 F C -0.559 175.204 175.800 -0.062 0.000 1.106 916 F CA -1.162 56.804 58.000 -0.056 0.000 1.163 916 F CB 0.618 39.579 39.000 -0.066 0.000 1.129 916 F HN 0.344 8.644 8.300 0.000 0.000 0.516 917 C N 7.789 126.663 119.300 -0.710 0.000 2.258 917 C HA 0.271 4.728 4.460 -0.004 0.000 0.321 917 C C 1.167 175.576 174.990 -0.968 0.000 1.168 917 C CA -0.907 57.749 59.018 -0.602 0.000 1.531 917 C CB -0.021 27.528 27.740 -0.317 0.000 2.095 917 C HN 0.987 9.217 8.230 0.000 0.000 0.449 918 K N 0.895 120.733 120.400 -0.936 0.000 2.365 918 K HA 0.028 4.346 4.320 -0.004 0.000 0.199 918 K C 0.426 176.578 176.600 -0.747 0.000 1.045 918 K CA 1.625 57.329 56.287 -0.972 0.000 0.962 918 K CB -0.115 31.967 32.500 -0.697 0.000 0.759 918 K HN 0.513 8.763 8.250 0.000 0.000 0.469 919 F N 1.463 121.254 119.950 -0.266 0.000 2.693 919 F HA 0.345 4.870 4.527 -0.003 0.000 0.303 919 F C 1.245 176.943 175.800 -0.171 0.000 1.097 919 F CA 0.160 58.042 58.000 -0.196 0.000 1.330 919 F CB 0.409 39.238 39.000 -0.284 0.000 1.067 919 F HN 0.323 8.623 8.300 0.000 0.000 0.565 920 G N 1.378 110.125 108.800 -0.088 0.000 2.642 920 G HA2 -0.320 3.637 3.960 -0.004 0.000 0.231 920 G HA3 -0.320 3.637 3.960 -0.004 0.000 0.231 920 G C -0.244 174.624 174.900 -0.054 0.000 1.338 920 G CA -0.397 44.663 45.100 -0.065 0.000 0.883 920 G HN 0.649 8.939 8.290 0.000 0.000 0.570 921 N N -0.625 118.058 118.700 -0.028 0.000 2.503 921 N HA 0.439 5.177 4.740 -0.004 0.000 0.267 921 N C 1.290 176.794 175.510 -0.009 0.000 1.214 921 N CA 0.037 53.068 53.050 -0.032 0.000 0.959 921 N CB 1.107 39.579 38.487 -0.024 0.000 1.142 921 N HN 0.914 9.294 8.380 0.000 0.000 0.455 922 L N 1.363 122.561 121.223 -0.043 0.000 2.156 922 L HA -0.013 4.325 4.340 -0.004 0.000 0.208 922 L C 2.221 179.097 176.870 0.010 0.000 1.095 922 L CA 1.440 56.248 54.840 -0.054 0.000 0.770 922 L CB -1.108 40.874 42.059 -0.128 0.000 0.914 922 L HN 0.877 9.107 8.230 0.000 0.000 0.439 923 S N -1.472 114.241 115.700 0.021 0.000 2.348 923 S HA -0.207 4.260 4.470 -0.004 0.000 0.221 923 S C 1.937 176.553 174.600 0.026 0.000 1.033 923 S CA 2.023 60.248 58.200 0.042 0.000 1.010 923 S CB -0.442 62.803 63.200 0.075 0.000 0.891 923 S HN 0.621 8.931 8.310 0.000 0.000 0.442 924 T N 0.611 115.186 114.554 0.035 0.000 2.746 924 T HA -0.110 4.238 4.350 -0.004 0.000 0.267 924 T C 1.496 176.208 174.700 0.020 0.000 1.039 924 T CA 1.665 63.781 62.100 0.027 0.000 1.142 924 T CB -0.619 68.270 68.868 0.036 0.000 0.866 924 T HN 0.597 8.837 8.240 0.000 0.000 0.444 925 Y N 1.813 122.073 120.300 -0.067 0.000 2.128 925 Y HA -0.099 4.449 4.550 -0.004 0.000 0.284 925 Y C 2.021 177.852 175.900 -0.114 0.000 1.154 925 Y CA 1.163 59.211 58.100 -0.087 0.000 1.149 925 Y CB -0.572 37.820 38.460 -0.114 0.000 0.976 925 Y HN 0.123 8.403 8.280 0.000 0.000 0.505 926 L N -0.347 120.769 121.223 -0.177 0.000 2.046 926 L HA -0.228 4.110 4.340 -0.004 0.000 0.208 926 L C 2.744 179.434 176.870 -0.300 0.000 1.077 926 L CA 1.195 55.863 54.840 -0.287 0.000 0.747 926 L CB -0.589 41.368 42.059 -0.171 0.000 0.896 926 L HN 0.147 8.377 8.230 0.000 0.000 0.432 927 R N 0.299 120.686 120.500 -0.189 0.000 2.096 927 R HA -0.189 4.149 4.340 -0.004 0.000 0.240 927 R C 2.503 178.690 176.300 -0.189 0.000 1.139 927 R CA 2.001 58.011 56.100 -0.151 0.000 0.952 927 R CB -0.749 29.506 30.300 -0.074 0.000 0.854 927 R HN 0.513 8.783 8.270 0.000 0.000 0.436 928 S N 0.332 115.897 115.700 -0.223 0.000 2.507 928 S HA -0.023 4.445 4.470 -0.004 0.000 0.235 928 S C 1.265 175.680 174.600 -0.309 0.000 0.988 928 S CA 0.838 58.902 58.200 -0.228 0.000 0.944 928 S CB 0.141 63.222 63.200 -0.199 0.000 0.762 928 S HN 0.092 8.402 8.310 0.000 0.000 0.526 929 K N 0.671 120.826 120.400 -0.408 0.000 2.414 929 K HA 0.324 4.641 4.320 -0.004 0.000 0.204 929 K C 1.385 177.768 176.600 -0.362 0.000 1.026 929 K CA -0.188 55.839 56.287 -0.433 0.000 1.108 929 K CB 0.074 32.239 32.500 -0.560 0.000 0.855 929 K HN 0.391 8.641 8.250 0.000 0.000 0.517 930 R N 0.823 121.143 120.500 -0.300 0.000 2.120 930 R HA -0.034 4.304 4.340 -0.004 0.000 0.234 930 R C 0.780 176.980 176.300 -0.166 0.000 1.123 930 R CA 1.051 56.996 56.100 -0.259 0.000 0.975 930 R CB 0.044 30.243 30.300 -0.168 0.000 0.866 930 R HN 0.130 8.400 8.270 0.000 0.000 0.446 931 N N 0.658 119.250 118.700 -0.180 0.000 2.398 931 N HA -0.028 4.709 4.740 -0.004 0.000 0.188 931 N C -0.256 175.032 175.510 -0.369 0.000 1.122 931 N CA 0.598 53.553 53.050 -0.158 0.000 0.866 931 N CB 0.542 38.963 38.487 -0.109 0.000 0.970 931 N HN 0.324 8.704 8.380 0.000 0.000 0.462 932 E N -0.212 119.636 120.200 -0.586 0.000 3.167 932 E HA 0.139 4.487 4.350 -0.004 0.000 0.210 932 E C -1.071 174.973 176.600 -0.926 0.000 1.004 932 E CA -0.323 55.266 56.400 -1.352 0.000 1.256 932 E CB 0.397 29.516 29.700 -0.968 0.000 1.193 932 E HN 0.106 8.466 8.360 0.000 0.000 0.448 933 F N 1.701 121.340 119.950 -0.519 0.000 2.529 933 F HA 0.486 5.011 4.527 -0.004 0.000 0.320 933 F C -0.989 174.870 175.800 0.097 0.000 1.118 933 F CA -1.028 56.857 58.000 -0.191 0.000 0.915 933 F CB 1.297 40.098 39.000 -0.330 0.000 1.161 933 F HN -0.157 8.143 8.300 0.000 0.000 0.445 934 V N 3.577 123.055 119.914 -0.726 0.000 2.841 934 V HA 0.703 4.820 4.120 -0.004 0.000 0.310 934 V C -2.831 172.704 176.094 -0.932 0.000 1.090 934 V CA -2.441 59.472 62.300 -0.644 0.000 0.930 934 V CB 1.444 33.159 31.823 -0.179 0.000 1.014 934 V HN 0.642 8.832 8.190 0.000 0.000 0.425 998 L N 1.759 122.848 121.223 -0.223 0.000 2.436 998 L HA 0.683 5.020 4.340 -0.004 0.000 0.265 998 L C 0.461 177.213 176.870 -0.196 0.000 1.168 998 L CA -0.134 54.473 54.840 -0.389 0.000 0.815 998 L CB 1.312 43.324 42.059 -0.079 0.000 1.109 998 L HN 0.851 9.081 8.230 0.000 0.000 0.462 999 T N -2.103 112.414 114.554 -0.062 0.000 2.778 999 T HA 0.382 4.730 4.350 -0.004 0.000 0.293 999 T C 0.857 175.694 174.700 0.229 0.000 1.144 999 T CA -0.906 61.179 62.100 -0.024 0.000 1.010 999 T CB 0.931 69.839 68.868 0.066 0.000 1.325 999 T HN 0.389 8.629 8.240 0.000 0.000 0.515 1000 L N 0.188 121.523 121.223 0.186 0.000 2.131 1000 L HA -0.032 4.306 4.340 -0.004 0.000 0.210 1000 L C 2.857 179.831 176.870 0.173 0.000 1.092 1000 L CA 1.792 56.796 54.840 0.274 0.000 0.759 1000 L CB -0.561 41.638 42.059 0.232 0.000 0.903 1000 L HN 0.835 9.065 8.230 0.000 0.000 0.435 1001 E N 0.083 120.343 120.200 0.100 0.000 2.058 1001 E HA -0.256 4.091 4.350 -0.004 0.000 0.194 1001 E C 1.991 178.521 176.600 -0.116 0.000 0.997 1001 E CA 1.824 58.213 56.400 -0.018 0.000 0.801 1001 E CB -0.057 29.596 29.700 -0.079 0.000 0.746 1001 E HN 0.494 8.854 8.360 0.000 0.000 0.450 1002 H N -0.182 118.788 119.070 -0.166 0.000 2.321 1002 H HA -0.042 4.512 4.556 -0.004 0.000 0.300 1002 H C 2.064 177.013 175.328 -0.632 0.000 1.087 1002 H CA 1.755 57.537 56.048 -0.444 0.000 1.319 1002 H CB -0.294 29.291 29.762 -0.294 0.000 1.379 1002 H HN 0.149 8.429 8.280 0.000 0.000 0.501 1003 L N -0.236 120.908 121.223 -0.131 0.000 2.046 1003 L HA -0.139 4.199 4.340 -0.004 0.000 0.208 1003 L C 2.184 179.039 176.870 -0.024 0.000 1.077 1003 L CA 1.207 55.926 54.840 -0.201 0.000 0.747 1003 L CB -0.467 41.287 42.059 -0.508 0.000 0.896 1003 L HN 0.268 8.498 8.230 0.000 0.000 0.432 1004 I N -0.729 119.937 120.570 0.161 0.000 2.315 1004 I HA -0.317 3.850 4.170 -0.004 0.000 0.248 1004 I C 2.896 179.113 176.117 0.166 0.000 1.117 1004 I CA 0.890 62.347 61.300 0.263 0.000 1.404 1004 I CB -0.409 37.704 38.000 0.188 0.000 1.071 1004 I HN 0.434 8.644 8.210 0.000 0.000 0.419 1005 C N 0.816 120.120 119.300 0.007 0.000 2.413 1005 C HA -0.245 4.213 4.460 -0.004 0.000 0.276 1005 C C 2.898 177.988 174.990 0.166 0.000 1.236 1005 C CA 0.950 59.983 59.018 0.025 0.000 1.735 1005 C CB -0.961 26.670 27.740 -0.182 0.000 2.031 1005 C HN 0.471 8.701 8.230 0.000 0.000 0.474 1006 Y N 1.832 122.220 120.300 0.145 0.000 2.165 1006 Y HA -0.128 4.419 4.550 -0.004 0.000 0.286 1006 Y C 2.944 178.956 175.900 0.187 0.000 1.155 1006 Y CA 1.751 59.926 58.100 0.126 0.000 1.164 1006 Y CB -1.327 37.170 38.460 0.062 0.000 0.978 1006 Y HN 0.345 8.625 8.280 0.000 0.000 0.513 1007 S N 0.007 115.936 115.700 0.380 0.000 2.356 1007 S HA -0.206 4.262 4.470 -0.004 0.000 0.223 1007 S C 1.877 176.771 174.600 0.489 0.000 1.032 1007 S CA 1.371 59.822 58.200 0.418 0.000 1.005 1007 S CB -0.900 62.553 63.200 0.422 0.000 0.867 1007 S HN 0.471 8.781 8.310 0.000 0.000 0.449 1008 F N 2.404 122.512 119.950 0.263 0.000 2.095 1008 F HA -0.187 4.337 4.527 -0.004 0.000 0.298 1008 F C 2.406 178.315 175.800 0.181 0.000 1.104 1008 F CA 1.656 59.777 58.000 0.202 0.000 1.232 1008 F CB -0.599 38.474 39.000 0.121 0.000 0.987 1008 F HN 0.187 8.487 8.300 0.000 0.000 0.475 1009 Q N -0.321 119.546 119.800 0.111 0.000 2.084 1009 Q HA -0.162 4.176 4.340 -0.004 0.000 0.202 1009 Q C 2.345 178.338 176.000 -0.012 0.000 0.978 1009 Q CA 1.923 57.725 55.803 -0.003 0.000 0.844 1009 Q CB -0.445 28.384 28.738 0.150 0.000 0.898 1009 Q HN 0.371 8.641 8.270 0.000 0.000 0.426 1010 V N 0.982 120.970 119.914 0.124 0.000 2.343 1010 V HA -0.285 3.833 4.120 -0.004 0.000 0.247 1010 V C 2.295 178.366 176.094 -0.038 0.000 1.051 1010 V CA 1.803 64.180 62.300 0.128 0.000 1.036 1010 V CB -1.019 31.003 31.823 0.332 0.000 0.654 1010 V HN 0.390 8.580 8.190 0.000 0.000 0.451 1011 A N -0.378 122.421 122.820 -0.035 0.000 1.908 1011 A HA -0.225 4.093 4.320 -0.004 0.000 0.218 1011 A C 2.312 179.718 177.584 -0.298 0.000 1.181 1011 A CA 1.758 53.624 52.037 -0.284 0.000 0.627 1011 A CB -0.433 18.504 19.000 -0.106 0.000 0.818 1011 A HN 0.428 8.578 8.150 0.000 0.000 0.445 1012 K N -0.736 119.464 120.400 -0.332 0.000 2.063 1012 K HA -0.134 4.184 4.320 -0.004 0.000 0.208 1012 K C 2.146 178.518 176.600 -0.380 0.000 1.048 1012 K CA 1.354 57.449 56.287 -0.321 0.000 0.928 1012 K CB -0.849 31.453 32.500 -0.331 0.000 0.713 1012 K HN 0.495 8.745 8.250 0.000 0.000 0.442 1013 G N 1.088 109.688 108.800 -0.333 0.000 2.402 1013 G HA2 -0.215 3.742 3.960 -0.004 0.000 0.216 1013 G HA3 -0.215 3.742 3.960 -0.004 0.000 0.216 1013 G C 1.517 176.218 174.900 -0.331 0.000 1.162 1013 G CA 0.472 45.357 45.100 -0.358 0.000 0.777 1013 G HN 0.102 8.392 8.290 0.000 0.000 0.539 1014 M N 0.495 119.810 119.600 -0.475 0.000 2.200 1014 M HA 0.045 4.522 4.480 -0.004 0.000 0.265 1014 M C 2.229 178.137 176.300 -0.653 0.000 1.066 1014 M CA 0.920 55.746 55.300 -0.791 0.000 1.127 1014 M CB -0.977 30.606 32.600 -1.694 0.000 1.379 1014 M HN 0.466 8.756 8.290 0.000 0.000 0.420 1015 E N -0.135 119.815 120.200 -0.416 0.000 2.085 1015 E HA -0.239 4.108 4.350 -0.004 0.000 0.194 1015 E C 1.979 178.507 176.600 -0.121 0.000 0.994 1015 E CA 1.207 57.523 56.400 -0.139 0.000 0.801 1015 E CB -0.165 29.502 29.700 -0.055 0.000 0.743 1015 E HN 0.354 8.714 8.360 0.000 0.000 0.453 1016 F N 1.302 121.046 119.950 -0.343 0.000 2.075 1016 F HA -0.151 4.374 4.527 -0.004 0.000 0.297 1016 F C 1.976 177.652 175.800 -0.207 0.000 1.113 1016 F CA 1.411 59.224 58.000 -0.312 0.000 1.218 1016 F CB -0.307 38.336 39.000 -0.595 0.000 0.984 1016 F HN -0.004 8.296 8.300 0.000 0.000 0.472 1017 L N -0.088 120.987 121.223 -0.247 0.000 2.083 1017 L HA -0.221 4.117 4.340 -0.004 0.000 0.209 1017 L C 2.774 179.512 176.870 -0.218 0.000 1.083 1017 L CA 1.185 55.876 54.840 -0.249 0.000 0.752 1017 L CB -1.213 40.779 42.059 -0.112 0.000 0.899 1017 L HN 0.277 8.507 8.230 0.000 0.000 0.433 1018 A N 0.068 122.789 122.820 -0.166 0.000 1.933 1018 A HA -0.229 4.089 4.320 -0.004 0.000 0.218 1018 A C 2.522 180.050 177.584 -0.094 0.000 1.175 1018 A CA 1.938 53.938 52.037 -0.061 0.000 0.628 1018 A CB -0.682 18.345 19.000 0.044 0.000 0.814 1018 A HN 0.528 8.678 8.150 0.000 0.000 0.444 1019 S N -0.551 115.046 115.700 -0.171 0.000 2.419 1019 S HA -0.118 4.349 4.470 -0.004 0.000 0.233 1019 S C 1.579 176.048 174.600 -0.218 0.000 1.016 1019 S CA 0.967 59.063 58.200 -0.175 0.000 0.974 1019 S CB -0.293 62.793 63.200 -0.190 0.000 0.786 1019 S HN 0.480 8.790 8.310 0.000 0.000 0.492 1020 R N 1.231 121.541 120.500 -0.317 0.000 2.320 1020 R HA 0.280 4.617 4.340 -0.004 0.000 0.211 1020 R C 0.126 176.414 176.300 -0.021 0.000 0.931 1020 R CA 0.119 56.070 56.100 -0.247 0.000 1.071 1020 R CB -0.811 29.242 30.300 -0.411 0.000 1.025 1020 R HN 0.574 8.844 8.270 0.000 0.000 0.495 1021 K N -0.255 120.125 120.400 -0.033 0.000 3.117 1021 K HA -0.164 4.154 4.320 -0.004 0.000 0.269 1021 K C -0.608 176.007 176.600 0.024 0.000 1.098 1021 K CA 0.586 56.881 56.287 0.014 0.000 0.785 1021 K CB -2.214 30.307 32.500 0.035 0.000 1.242 1021 K HN 0.208 8.458 8.250 0.000 0.000 0.491 1022 C N 0.685 119.987 119.300 0.003 0.000 2.365 1022 C HA 0.647 5.104 4.460 -0.004 0.000 0.349 1022 C C 0.433 175.440 174.990 0.028 0.000 1.191 1022 C CA -1.056 57.967 59.018 0.009 0.000 2.114 1022 C CB 0.577 28.315 27.740 -0.003 0.000 2.367 1022 C HN 0.268 8.498 8.230 0.000 0.000 0.530 1023 I N 2.421 123.015 120.570 0.039 0.000 2.465 1023 I HA 0.239 4.407 4.170 -0.004 0.000 0.291 1023 I C 1.042 177.205 176.117 0.077 0.000 1.014 1023 I CA -0.151 61.206 61.300 0.095 0.000 1.093 1023 I CB 1.127 39.194 38.000 0.112 0.000 1.267 1023 I HN 0.828 9.038 8.210 0.000 0.000 0.431 1024 H N 6.704 125.808 119.070 0.057 0.000 2.317 1024 H HA 0.072 4.625 4.556 -0.004 0.000 0.304 1024 H C 0.617 175.964 175.328 0.032 0.000 1.067 1024 H CA 1.941 58.011 56.048 0.037 0.000 1.352 1024 H CB 0.651 30.444 29.762 0.052 0.000 1.398 1024 H HN 0.628 8.908 8.280 0.000 0.000 0.510 1025 R N -0.952 119.721 120.500 0.289 0.000 3.590 1025 R HA -0.173 4.164 4.340 -0.004 0.000 0.463 1025 R C -0.486 176.006 176.300 0.320 0.000 0.657 1025 R CA 1.339 57.568 56.100 0.215 0.000 1.512 1025 R CB -1.456 28.697 30.300 -0.246 0.000 2.154 1025 R HN 0.331 8.601 8.270 0.000 0.000 0.409 1026 D N 0.368 121.043 120.400 0.458 0.000 3.060 1026 D HA 0.181 4.819 4.640 -0.004 0.000 0.326 1026 D C -1.384 175.038 176.300 0.204 0.000 1.253 1026 D CA -0.427 53.757 54.000 0.306 0.000 0.737 1026 D CB 0.503 41.395 40.800 0.153 0.000 1.260 1026 D HN 0.050 8.420 8.370 0.000 0.000 0.542 1027 L N 1.790 123.092 121.223 0.132 0.000 2.385 1027 L HA 0.712 5.049 4.340 -0.004 0.000 0.281 1027 L C -0.617 176.261 176.870 0.013 0.000 1.106 1027 L CA 0.167 54.931 54.840 -0.127 0.000 0.856 1027 L CB 0.293 42.362 42.059 0.017 0.000 1.186 1027 L HN 0.270 8.500 8.230 0.000 0.000 0.453 1028 A N 3.932 126.674 122.820 -0.130 0.000 2.606 1028 A HA 0.730 5.048 4.320 -0.004 0.000 0.293 1028 A C 0.544 178.106 177.584 -0.036 0.000 1.082 1028 A CA -0.143 51.788 52.037 -0.176 0.000 0.685 1028 A CB 0.811 19.256 19.000 -0.925 0.000 1.284 1028 A HN 0.930 9.080 8.150 0.000 0.000 0.408 1029 A N 0.362 123.245 122.820 0.105 0.000 2.019 1029 A HA -0.106 4.211 4.320 -0.004 0.000 0.219 1029 A C 1.920 179.505 177.584 0.002 0.000 1.164 1029 A CA 2.232 54.312 52.037 0.072 0.000 0.644 1029 A CB -0.445 18.632 19.000 0.128 0.000 0.805 1029 A HN 0.978 9.128 8.150 0.000 0.000 0.449 1030 R N 0.769 121.249 120.500 -0.034 0.000 2.159 1030 R HA -0.073 4.264 4.340 -0.004 0.000 0.237 1030 R C 0.484 176.748 176.300 -0.059 0.000 1.131 1030 R CA 1.714 57.782 56.100 -0.054 0.000 0.982 1030 R CB -0.372 29.872 30.300 -0.094 0.000 0.868 1030 R HN 0.502 8.772 8.270 0.000 0.000 0.453 1031 N N -0.076 118.582 118.700 -0.069 0.000 2.276 1031 N HA 0.079 4.816 4.740 -0.004 0.000 0.212 1031 N C -0.792 174.700 175.510 -0.030 0.000 1.127 1031 N CA 0.146 53.174 53.050 -0.036 0.000 0.834 1031 N CB 0.627 39.113 38.487 -0.002 0.000 1.014 1031 N HN 0.096 8.476 8.380 0.000 0.000 0.491 1032 I N 1.731 122.277 120.570 -0.040 0.000 2.389 1032 I HA 0.359 4.526 4.170 -0.004 0.000 0.288 1032 I C 0.169 176.247 176.117 -0.065 0.000 0.999 1032 I CA -0.562 60.712 61.300 -0.042 0.000 1.129 1032 I CB 1.460 39.439 38.000 -0.035 0.000 1.288 1032 I HN -0.227 7.983 8.210 0.000 0.000 0.444 1033 L N 5.695 126.875 121.223 -0.072 0.000 2.344 1033 L HA 0.526 4.864 4.340 -0.004 0.000 0.272 1033 L C -0.536 176.263 176.870 -0.119 0.000 1.035 1033 L CA -1.060 53.721 54.840 -0.099 0.000 0.807 1033 L CB 2.090 44.084 42.059 -0.107 0.000 1.237 1033 L HN 0.312 8.542 8.230 0.000 0.000 0.442 1034 L N 1.234 122.374 121.223 -0.138 0.000 2.287 1034 L HA 0.498 4.835 4.340 -0.004 0.000 0.287 1034 L C -0.060 176.796 176.870 -0.024 0.000 1.022 1034 L CA 0.561 55.316 54.840 -0.142 0.000 0.814 1034 L CB 1.536 43.411 42.059 -0.306 0.000 1.217 1034 L HN 0.614 8.844 8.230 0.000 0.000 0.420 1035 S N 2.784 118.493 115.700 0.015 0.000 2.713 1035 S HA 0.542 5.009 4.470 -0.004 0.000 0.296 1035 S C -0.282 174.454 174.600 0.226 0.000 1.114 1035 S CA -0.657 57.573 58.200 0.050 0.000 0.997 1035 S CB 0.671 63.867 63.200 -0.007 0.000 1.249 1035 S HN 0.718 9.028 8.310 0.000 0.000 0.534 1036 E N 0.932 121.245 120.200 0.188 0.000 2.408 1036 E HA 0.133 4.481 4.350 -0.004 0.000 0.259 1036 E C -0.321 176.362 176.600 0.139 0.000 1.110 1036 E CA -0.039 56.515 56.400 0.256 0.000 0.929 1036 E CB 0.181 29.980 29.700 0.165 0.000 0.971 1036 E HN 0.519 8.879 8.360 0.000 0.000 0.438 1037 K N 1.761 122.228 120.400 0.112 0.000 3.069 1037 K HA -0.264 4.054 4.320 -0.004 0.000 0.267 1037 K C -0.444 176.190 176.600 0.056 0.000 1.082 1037 K CA 0.546 56.871 56.287 0.063 0.000 0.782 1037 K CB -1.336 31.198 32.500 0.055 0.000 1.230 1037 K HN 0.661 8.911 8.250 0.000 0.000 0.488 1038 N N -1.648 117.084 118.700 0.054 0.000 2.741 1038 N HA -0.180 4.558 4.740 -0.004 0.000 0.251 1038 N C -0.291 175.318 175.510 0.166 0.000 1.112 1038 N CA 1.315 54.442 53.050 0.128 0.000 0.750 1038 N CB -0.963 37.614 38.487 0.151 0.000 1.119 1038 N HN 0.138 8.518 8.380 0.000 0.000 0.561 1039 V N 1.405 121.376 119.914 0.094 0.000 2.530 1039 V HA 0.325 4.443 4.120 -0.004 0.000 0.282 1039 V C 0.943 177.067 176.094 0.050 0.000 1.048 1039 V CA -0.590 61.759 62.300 0.081 0.000 0.997 1039 V CB 1.610 33.461 31.823 0.047 0.000 0.987 1039 V HN 0.121 8.311 8.190 0.000 0.000 0.477 1040 V N 2.924 122.875 119.914 0.061 0.000 2.630 1040 V HA 0.738 4.856 4.120 -0.004 0.000 0.305 1040 V C -0.480 175.615 176.094 0.002 0.000 1.046 1040 V CA -0.962 61.339 62.300 0.001 0.000 0.934 1040 V CB 1.728 33.545 31.823 -0.010 0.000 1.003 1040 V HN 0.835 9.025 8.190 0.000 0.000 0.451 1041 K N 3.887 124.272 120.400 -0.024 0.000 2.507 1041 K HA 0.597 4.915 4.320 -0.004 0.000 0.251 1041 K C -1.166 175.424 176.600 -0.016 0.000 0.943 1041 K CA -0.646 55.630 56.287 -0.019 0.000 0.794 1041 K CB 2.608 35.092 32.500 -0.028 0.000 1.188 1041 K HN 0.693 8.943 8.250 0.000 0.000 0.428 1042 I N 3.406 123.973 120.570 -0.005 0.000 2.556 1042 I HA 0.014 4.182 4.170 -0.004 0.000 0.284 1042 I C 0.650 176.795 176.117 0.046 0.000 1.114 1042 I CA -0.156 61.150 61.300 0.011 0.000 1.418 1042 I CB 0.120 38.124 38.000 0.006 0.000 1.394 1042 I HN 0.710 8.920 8.210 0.000 0.000 0.552 1043 C N 3.097 122.442 119.300 0.074 0.000 2.973 1043 C HA 0.875 5.333 4.460 -0.004 0.000 0.329 1043 C C -0.550 174.537 174.990 0.163 0.000 1.327 1043 C CA -0.594 58.469 59.018 0.075 0.000 1.632 1043 C CB 1.667 29.416 27.740 0.016 0.000 2.098 1043 C HN 0.778 9.008 8.230 0.000 0.000 0.469 1054 D N 5.348 125.751 120.400 0.006 0.000 2.451 1054 D HA 0.013 4.650 4.640 -0.004 0.000 0.254 1054 D C -1.204 175.100 176.300 0.007 0.000 1.204 1054 D CA -1.376 52.628 54.000 0.007 0.000 0.896 1054 D CB 1.213 42.016 40.800 0.006 0.000 1.136 1054 D HN 0.308 8.678 8.370 0.000 0.000 0.499 1055 P HA -0.101 4.319 4.420 0.000 0.000 0.223 1055 P C 0.085 177.390 177.300 0.008 0.000 1.144 1055 P CA 0.467 63.572 63.100 0.008 0.000 0.783 1055 P CB 0.315 32.020 31.700 0.008 0.000 0.771 1059 R N 2.198 122.706 120.500 0.013 0.000 2.803 1059 R HA 0.589 4.926 4.340 -0.004 0.000 0.276 1059 R C -0.644 175.667 176.300 0.018 0.000 0.978 1059 R CA -1.118 54.991 56.100 0.014 0.000 0.939 1059 R CB 2.390 32.697 30.300 0.013 0.000 1.179 1059 R HN 0.579 8.849 8.270 0.000 0.000 0.472 1060 K N 0.702 121.114 120.400 0.020 0.000 2.511 1060 K HA -0.021 4.297 4.320 -0.004 0.000 0.280 1060 K C 0.845 177.462 176.600 0.029 0.000 1.008 1060 K CA 1.408 57.711 56.287 0.026 0.000 1.050 1060 K CB 0.366 32.881 32.500 0.025 0.000 0.889 1060 K HN 0.964 9.214 8.250 0.000 0.000 0.484 1061 G N 3.095 111.918 108.800 0.039 0.000 2.232 1061 G HA2 -0.209 3.748 3.960 -0.004 0.000 0.226 1061 G HA3 -0.209 3.748 3.960 -0.004 0.000 0.226 1061 G C 0.461 175.382 174.900 0.036 0.000 0.996 1061 G CA 0.046 45.172 45.100 0.043 0.000 0.626 1061 G HN 0.665 8.955 8.290 0.000 0.000 0.509 1062 D N 1.222 121.638 120.400 0.027 0.000 2.363 1062 D HA 0.482 5.120 4.640 -0.004 0.000 0.220 1062 D C 1.268 177.578 176.300 0.017 0.000 0.994 1062 D CA 1.451 55.462 54.000 0.018 0.000 0.890 1062 D CB 0.334 41.143 40.800 0.014 0.000 0.906 1062 D HN 0.988 9.358 8.370 0.000 0.000 0.530 1063 A N 0.212 123.049 122.820 0.029 0.000 2.515 1063 A HA 0.800 5.117 4.320 -0.004 0.000 0.296 1063 A C -0.568 177.050 177.584 0.056 0.000 1.094 1063 A CA -0.907 51.148 52.037 0.030 0.000 0.718 1063 A CB 1.826 20.844 19.000 0.030 0.000 1.307 1063 A HN 0.076 8.226 8.150 0.000 0.000 0.408 1064 R N -0.181 120.352 120.500 0.056 0.000 2.799 1064 R HA 0.767 5.104 4.340 -0.004 0.000 0.270 1064 R C -1.793 174.589 176.300 0.136 0.000 1.010 1064 R CA -0.856 55.319 56.100 0.125 0.000 0.916 1064 R CB 1.304 31.650 30.300 0.076 0.000 1.228 1064 R HN 0.588 8.858 8.270 0.000 0.000 0.469 1065 L N 2.413 123.797 121.223 0.268 0.000 2.272 1065 L HA 0.443 4.781 4.340 -0.004 0.000 0.284 1065 L C -2.233 174.855 176.870 0.363 0.000 1.045 1065 L CA -2.414 52.560 54.840 0.223 0.000 0.842 1065 L CB 1.342 43.486 42.059 0.142 0.000 1.224 1065 L HN 0.547 8.777 8.230 0.000 0.000 0.430 1066 P HA -0.174 4.246 4.420 0.000 0.000 0.221 1066 P C 1.544 179.082 177.300 0.397 0.000 1.145 1066 P CA 0.657 63.927 63.100 0.284 0.000 0.795 1066 P CB 0.174 31.954 31.700 0.134 0.000 0.775 1067 L N 0.303 121.675 121.223 0.248 0.000 2.129 1067 L HA -0.180 4.157 4.340 -0.004 0.000 0.212 1067 L C 1.756 178.757 176.870 0.218 0.000 1.087 1067 L CA 1.933 56.875 54.840 0.169 0.000 0.757 1067 L CB -1.126 40.961 42.059 0.047 0.000 0.896 1067 L HN -0.088 8.142 8.230 0.000 0.000 0.434 1068 K N -1.957 118.600 120.400 0.261 0.000 2.439 1068 K HA -0.142 4.175 4.320 -0.004 0.000 0.197 1068 K C 1.543 178.243 176.600 0.167 0.000 1.041 1068 K CA 0.921 57.266 56.287 0.097 0.000 0.970 1068 K CB -0.137 32.275 32.500 -0.146 0.000 0.773 1068 K HN 0.486 8.736 8.250 0.000 0.000 0.479 1069 W N 0.382 121.848 121.300 0.277 0.000 3.220 1069 W HA 0.234 4.891 4.660 -0.004 0.000 0.328 1069 W C 0.192 176.947 176.519 0.394 0.000 1.205 1069 W CA -0.411 57.152 57.345 0.365 0.000 1.773 1069 W CB 0.249 29.887 29.460 0.297 0.000 1.086 1069 W HN -0.018 8.162 8.180 0.000 0.000 0.622 1070 M N 0.744 120.587 119.600 0.407 0.000 2.211 1070 M HA 0.345 4.822 4.480 -0.004 0.000 0.356 1070 M C 0.666 176.805 176.300 -0.269 0.000 1.216 1070 M CA -0.198 55.184 55.300 0.136 0.000 1.134 1070 M CB 1.135 33.766 32.600 0.051 0.000 1.564 1070 M HN -0.260 8.030 8.290 0.000 0.000 0.463 1071 A N 4.785 127.296 122.820 -0.515 0.000 2.466 1071 A HA 0.256 4.573 4.320 -0.004 0.000 0.238 1071 A C -1.775 175.350 177.584 -0.764 0.000 1.074 1071 A CA -1.175 50.170 52.037 -1.153 0.000 0.774 1071 A CB -0.437 18.253 19.000 -0.516 0.000 1.015 1071 A HN 0.624 8.774 8.150 0.000 0.000 0.498 1072 P HA -0.232 4.188 4.420 0.000 0.000 0.216 1072 P C 1.371 178.612 177.300 -0.097 0.000 1.153 1072 P CA 1.752 64.655 63.100 -0.329 0.000 0.858 1072 P CB 0.049 31.549 31.700 -0.333 0.000 0.789 1073 E N -0.684 119.408 120.200 -0.181 0.000 2.204 1073 E HA -0.131 4.217 4.350 -0.004 0.000 0.194 1073 E C 1.280 177.801 176.600 -0.131 0.000 0.989 1073 E CA 1.648 57.988 56.400 -0.101 0.000 0.824 1073 E CB -1.626 28.019 29.700 -0.092 0.000 0.756 1073 E HN 0.197 8.556 8.360 0.000 0.000 0.477 1074 T N 1.681 116.091 114.554 -0.241 0.000 2.851 1074 T HA 0.068 4.415 4.350 -0.004 0.000 0.262 1074 T C 2.161 176.698 174.700 -0.270 0.000 1.043 1074 T CA 0.972 62.844 62.100 -0.381 0.000 1.140 1074 T CB -0.147 68.386 68.868 -0.559 0.000 0.872 1074 T HN 0.096 8.336 8.240 0.000 0.000 0.446 1075 I N 0.210 120.656 120.570 -0.206 0.000 2.113 1075 I HA -0.147 4.021 4.170 -0.004 0.000 0.238 1075 I C 2.008 177.980 176.117 -0.241 0.000 1.070 1075 I CA 1.695 62.861 61.300 -0.223 0.000 1.332 1075 I CB -0.312 37.519 38.000 -0.282 0.000 1.044 1075 I HN 0.150 8.360 8.210 0.000 0.000 0.402 1076 F N 0.164 120.028 119.950 -0.145 0.000 2.293 1076 F HA -0.118 4.407 4.527 -0.004 0.000 0.297 1076 F C 1.345 177.092 175.800 -0.088 0.000 1.089 1076 F CA 1.086 59.022 58.000 -0.107 0.000 1.377 1076 F CB 0.017 38.950 39.000 -0.113 0.000 1.051 1076 F HN 0.090 8.390 8.300 0.000 0.000 0.511 1077 D N -0.515 119.920 120.400 0.059 0.000 2.620 1077 D HA 0.099 4.737 4.640 -0.004 0.000 0.260 1077 D C 0.153 176.439 176.300 -0.024 0.000 1.367 1077 D CA -0.033 53.978 54.000 0.019 0.000 0.805 1077 D CB -0.001 40.811 40.800 0.020 0.000 1.096 1077 D HN 0.197 8.567 8.370 0.000 0.000 0.488 1078 R N -0.548 119.913 120.500 -0.064 0.000 3.424 1078 R HA -0.175 4.163 4.340 -0.004 0.000 0.247 1078 R C -0.768 175.485 176.300 -0.077 0.000 1.000 1078 R CA 0.298 56.352 56.100 -0.078 0.000 0.672 1078 R CB -2.757 27.570 30.300 0.045 0.000 1.042 1078 R HN -0.005 8.265 8.270 0.000 0.000 0.470 1079 V N 2.126 121.949 119.914 -0.151 0.000 2.408 1079 V HA 0.245 4.363 4.120 -0.004 0.000 0.267 1079 V C -0.145 175.844 176.094 -0.176 0.000 1.047 1079 V CA -0.124 62.131 62.300 -0.075 0.000 0.937 1079 V CB 0.351 32.144 31.823 -0.050 0.000 0.999 1079 V HN 0.207 8.397 8.190 0.000 0.000 0.472 1080 Y N 3.431 123.757 120.300 0.043 0.000 2.328 1080 Y HA 0.639 5.187 4.550 -0.004 0.000 0.337 1080 Y C 0.669 176.611 175.900 0.069 0.000 0.966 1080 Y CA -0.516 57.622 58.100 0.065 0.000 1.136 1080 Y CB 2.096 40.596 38.460 0.066 0.000 1.170 1080 Y HN 0.749 9.029 8.280 0.000 0.000 0.470 1081 T N -1.124 113.561 114.554 0.219 0.000 2.812 1081 T HA 0.303 4.651 4.350 -0.004 0.000 0.294 1081 T C 0.376 175.197 174.700 0.201 0.000 1.159 1081 T CA -0.718 61.484 62.100 0.170 0.000 1.008 1081 T CB 1.165 70.101 68.868 0.114 0.000 1.289 1081 T HN 0.399 8.639 8.240 0.000 0.000 0.514 1082 I N 0.933 121.610 120.570 0.179 0.000 2.361 1082 I HA -0.099 4.068 4.170 -0.004 0.000 0.251 1082 I C 2.273 178.525 176.117 0.225 0.000 1.133 1082 I CA 1.622 63.064 61.300 0.237 0.000 1.413 1082 I CB -0.491 37.635 38.000 0.209 0.000 1.073 1082 I HN 0.570 8.780 8.210 0.000 0.000 0.424 1083 Q N -0.110 119.775 119.800 0.142 0.000 2.230 1083 Q HA -0.072 4.265 4.340 -0.004 0.000 0.202 1083 Q C 2.455 178.566 176.000 0.185 0.000 0.963 1083 Q CA 1.457 57.324 55.803 0.107 0.000 0.866 1083 Q CB -0.569 28.209 28.738 0.067 0.000 0.931 1083 Q HN 0.717 8.987 8.270 0.000 0.000 0.452 1084 S N 0.459 116.282 115.700 0.205 0.000 2.406 1084 S HA -0.105 4.362 4.470 -0.004 0.000 0.228 1084 S C 1.345 176.175 174.600 0.382 0.000 1.020 1084 S CA 0.900 59.248 58.200 0.246 0.000 0.965 1084 S CB -0.051 63.225 63.200 0.127 0.000 0.798 1084 S HN 0.121 8.431 8.310 0.000 0.000 0.488 1085 D N 1.764 122.402 120.400 0.397 0.000 2.149 1085 D HA -0.040 4.597 4.640 -0.004 0.000 0.198 1085 D C 2.046 178.690 176.300 0.574 0.000 0.990 1085 D CA 0.895 55.201 54.000 0.510 0.000 0.839 1085 D CB -0.495 40.631 40.800 0.544 0.000 0.948 1085 D HN 0.332 8.702 8.370 0.000 0.000 0.460 1086 V N 0.830 120.934 119.914 0.315 0.000 2.343 1086 V HA -0.202 3.916 4.120 -0.004 0.000 0.247 1086 V C 2.176 178.487 176.094 0.362 0.000 1.051 1086 V CA 1.286 63.628 62.300 0.069 0.000 1.036 1086 V CB -0.480 31.185 31.823 -0.263 0.000 0.654 1086 V HN 0.395 8.585 8.190 0.000 0.000 0.451 1087 W N 1.336 122.797 121.300 0.269 0.000 2.333 1087 W HA -0.232 4.425 4.660 -0.004 0.000 0.316 1087 W C 2.543 179.360 176.519 0.497 0.000 1.215 1087 W CA 2.297 59.882 57.345 0.399 0.000 1.278 1087 W CB -0.695 28.962 29.460 0.328 0.000 1.154 1087 W HN 0.344 8.524 8.180 0.000 0.000 0.486 1088 S N 0.869 117.057 115.700 0.813 0.000 2.370 1088 S HA -0.262 4.205 4.470 -0.004 0.000 0.226 1088 S C 1.578 176.559 174.600 0.636 0.000 1.033 1088 S CA 1.720 60.370 58.200 0.750 0.000 1.011 1088 S CB -1.181 62.414 63.200 0.660 0.000 0.852 1088 S HN 0.327 8.637 8.310 0.000 0.000 0.457 1089 F N 2.675 122.884 119.950 0.431 0.000 2.161 1089 F HA -0.066 4.458 4.527 -0.004 0.000 0.300 1089 F C 2.275 178.228 175.800 0.254 0.000 1.089 1089 F CA 1.164 59.377 58.000 0.355 0.000 1.282 1089 F CB -1.023 38.221 39.000 0.405 0.000 1.010 1089 F HN 0.215 8.515 8.300 0.000 0.000 0.485 1090 G N -0.136 108.740 108.800 0.127 0.000 2.440 1090 G HA2 -0.229 3.729 3.960 -0.004 0.000 0.218 1090 G HA3 -0.229 3.729 3.960 -0.004 0.000 0.218 1090 G C 1.742 176.733 174.900 0.152 0.000 1.154 1090 G CA 1.299 46.263 45.100 -0.226 0.000 0.767 1090 G HN 0.346 8.636 8.290 0.000 0.000 0.552 1091 V N 0.901 121.099 119.914 0.472 0.000 2.343 1091 V HA -0.125 3.992 4.120 -0.004 0.000 0.247 1091 V C 2.667 178.968 176.094 0.344 0.000 1.051 1091 V CA 1.584 64.095 62.300 0.351 0.000 1.036 1091 V CB -0.521 31.326 31.823 0.041 0.000 0.654 1091 V HN 0.400 8.590 8.190 0.000 0.000 0.451 1092 L N -0.612 120.821 121.223 0.350 0.000 2.046 1092 L HA -0.171 4.167 4.340 -0.004 0.000 0.208 1092 L C 2.360 179.312 176.870 0.137 0.000 1.077 1092 L CA 1.583 56.600 54.840 0.296 0.000 0.747 1092 L CB -0.170 42.029 42.059 0.233 0.000 0.896 1092 L HN 0.256 8.486 8.230 0.000 0.000 0.432 1093 L N -1.529 119.666 121.223 -0.046 0.000 2.042 1093 L HA -0.280 4.058 4.340 -0.004 0.000 0.210 1093 L C 2.358 179.391 176.870 0.273 0.000 1.076 1093 L CA 1.936 56.795 54.840 0.032 0.000 0.749 1093 L CB -0.736 41.223 42.059 -0.167 0.000 0.893 1093 L HN 0.504 8.734 8.230 0.000 0.000 0.432 1094 W N 1.363 122.730 121.300 0.112 0.000 2.358 1094 W HA -0.205 4.453 4.660 -0.004 0.000 0.303 1094 W C 2.462 179.062 176.519 0.136 0.000 1.208 1094 W CA 1.726 59.169 57.345 0.163 0.000 1.274 1094 W CB 0.028 29.604 29.460 0.193 0.000 1.138 1094 W HN 0.097 8.277 8.180 0.000 0.000 0.515 1095 E N 0.134 120.599 120.200 0.442 0.000 2.058 1095 E HA -0.287 4.061 4.350 -0.004 0.000 0.194 1095 E C 2.087 178.704 176.600 0.028 0.000 0.997 1095 E CA 2.006 58.571 56.400 0.274 0.000 0.801 1095 E CB -0.600 29.313 29.700 0.356 0.000 0.746 1095 E HN 0.380 8.740 8.360 0.000 0.000 0.450 1096 I N 0.072 120.652 120.570 0.016 0.000 2.163 1096 I HA -0.256 3.912 4.170 -0.004 0.000 0.243 1096 I C 1.703 177.585 176.117 -0.391 0.000 1.085 1096 I CA 1.255 62.447 61.300 -0.181 0.000 1.347 1096 I CB -0.130 37.751 38.000 -0.199 0.000 1.044 1096 I HN 0.038 8.248 8.210 0.000 0.000 0.408 1097 F N 0.162 120.025 119.950 -0.145 0.000 2.797 1097 F HA 0.006 4.531 4.527 -0.004 0.000 0.302 1097 F C 2.261 177.910 175.800 -0.252 0.000 1.130 1097 F CA 0.319 58.212 58.000 -0.179 0.000 1.387 1097 F CB -0.190 38.734 39.000 -0.126 0.000 1.107 1097 F HN 0.051 8.351 8.300 0.000 0.000 0.577 1098 S N -0.563 114.954 115.700 -0.306 0.000 2.557 1098 S HA 0.153 4.621 4.470 -0.004 0.000 0.223 1098 S C 0.710 175.226 174.600 -0.140 0.000 0.969 1098 S CA -0.197 57.815 58.200 -0.313 0.000 0.927 1098 S CB -0.634 62.063 63.200 -0.838 0.000 0.806 1098 S HN 0.287 8.597 8.310 0.000 0.000 0.489 1099 L N 1.140 122.190 121.223 -0.288 0.000 3.762 1099 L HA -0.221 4.117 4.340 -0.004 0.000 0.460 1099 L C 1.090 177.847 176.870 -0.188 0.000 1.255 1099 L CA 0.357 54.980 54.840 -0.362 0.000 0.783 1099 L CB -2.204 39.468 42.059 -0.643 0.000 1.600 1099 L HN 0.740 8.970 8.230 0.000 0.000 0.862 1100 G N -1.284 107.456 108.800 -0.100 0.000 2.149 1100 G HA2 -0.026 3.932 3.960 -0.004 0.000 0.235 1100 G HA3 -0.026 3.932 3.960 -0.004 0.000 0.235 1100 G C 0.390 175.328 174.900 0.064 0.000 1.018 1100 G CA 0.200 45.299 45.100 -0.002 0.000 0.728 1100 G HN 1.288 9.578 8.290 0.000 0.000 0.508 1101 A N -0.332 122.535 122.820 0.078 0.000 2.313 1101 A HA 0.801 5.118 4.320 -0.004 0.000 0.261 1101 A C 0.964 178.748 177.584 0.333 0.000 1.090 1101 A CA 0.813 52.955 52.037 0.176 0.000 0.807 1101 A CB 0.804 19.895 19.000 0.151 0.000 1.055 1101 A HN 1.404 9.554 8.150 0.000 0.000 0.492 1102 S N 1.071 116.938 115.700 0.279 0.000 2.523 1102 S HA 0.470 4.938 4.470 -0.004 0.000 0.275 1102 S C -2.330 172.330 174.600 0.099 0.000 1.281 1102 S CA -1.268 57.065 58.200 0.220 0.000 1.050 1102 S CB 0.022 63.310 63.200 0.146 0.000 0.937 1102 S HN 0.485 8.795 8.310 0.000 0.000 0.492 1103 P HA 0.104 4.524 4.420 0.000 0.000 0.269 1103 P C -0.876 176.095 177.300 -0.548 0.000 1.217 1103 P CA 0.142 62.748 63.100 -0.822 0.000 0.783 1103 P CB -0.052 31.059 31.700 -0.982 0.000 0.898 1104 Y N -1.552 118.346 120.300 -0.671 0.000 3.001 1104 Y HA -0.160 4.387 4.550 -0.004 0.000 0.199 1104 Y C -1.578 174.185 175.900 -0.228 0.000 1.320 1104 Y CA -0.399 57.468 58.100 -0.387 0.000 0.974 1104 Y CB -2.537 35.707 38.460 -0.359 0.000 1.291 1104 Y HN 0.372 8.652 8.280 0.000 0.000 0.465 1105 P HA 0.112 4.532 4.420 0.000 0.000 0.258 1105 P C 1.217 178.529 177.300 0.020 0.000 1.187 1105 P CA 1.948 65.060 63.100 0.019 0.000 0.767 1105 P CB 0.745 32.496 31.700 0.084 0.000 0.770 1106 G N 1.980 110.786 108.800 0.009 0.000 2.184 1106 G HA2 -0.240 3.717 3.960 -0.004 0.000 0.264 1106 G HA3 -0.240 3.717 3.960 -0.004 0.000 0.264 1106 G C 0.100 174.994 174.900 -0.010 0.000 0.975 1106 G CA 0.004 45.106 45.100 0.004 0.000 0.642 1106 G HN 0.537 8.827 8.290 0.000 0.000 0.536 1107 V N 1.629 121.529 119.914 -0.023 0.000 2.530 1107 V HA 0.317 4.435 4.120 -0.004 0.000 0.282 1107 V C 0.873 176.893 176.094 -0.124 0.000 1.048 1107 V CA -0.324 61.951 62.300 -0.043 0.000 0.997 1107 V CB 1.509 33.321 31.823 -0.018 0.000 0.987 1107 V HN 0.277 8.467 8.190 0.000 0.000 0.477 1108 K N 4.882 125.229 120.400 -0.089 0.000 2.297 1108 K HA 0.356 4.674 4.320 -0.004 0.000 0.286 1108 K C -0.566 175.920 176.600 -0.190 0.000 1.053 1108 K CA -0.504 55.715 56.287 -0.113 0.000 0.940 1108 K CB 0.855 33.324 32.500 -0.052 0.000 1.019 1108 K HN 0.432 8.682 8.250 0.000 0.000 0.475 1109 I N 5.539 125.934 120.570 -0.290 0.000 2.241 1109 I HA 0.037 4.204 4.170 -0.004 0.000 0.294 1109 I C 0.230 176.262 176.117 -0.142 0.000 1.145 1109 I CA -0.093 60.950 61.300 -0.428 0.000 1.261 1109 I CB -0.981 36.696 38.000 -0.540 0.000 1.475 1109 I HN 0.694 8.904 8.210 0.000 0.000 0.533 1110 D N 3.977 124.372 120.400 -0.008 0.000 2.904 1110 D HA 0.204 4.842 4.640 -0.004 0.000 0.290 1110 D C 0.652 176.972 176.300 0.033 0.000 1.180 1110 D CA -0.487 53.515 54.000 0.003 0.000 1.065 1110 D CB 0.811 41.607 40.800 -0.006 0.000 1.386 1110 D HN -0.017 8.353 8.370 0.000 0.000 0.599 1111 E N -0.493 119.706 120.200 -0.002 0.000 2.153 1111 E HA -0.178 4.170 4.350 -0.004 0.000 0.194 1111 E C 1.432 178.046 176.600 0.023 0.000 0.988 1111 E CA 1.190 57.583 56.400 -0.012 0.000 0.811 1111 E CB 0.055 29.748 29.700 -0.011 0.000 0.746 1111 E HN 0.559 8.919 8.360 0.000 0.000 0.466 1112 E N 0.367 120.589 120.200 0.037 0.000 2.047 1112 E HA -0.157 4.190 4.350 -0.004 0.000 0.191 1112 E C 1.867 178.492 176.600 0.041 0.000 0.987 1112 E CA 0.752 57.174 56.400 0.037 0.000 0.799 1112 E CB -0.570 29.151 29.700 0.035 0.000 0.752 1112 E HN 0.202 8.562 8.360 0.000 0.000 0.449 1113 F N 0.615 120.517 119.950 -0.080 0.000 2.091 1113 F HA -0.293 4.231 4.527 -0.004 0.000 0.299 1113 F C 2.168 177.904 175.800 -0.108 0.000 1.103 1113 F CA 1.936 59.859 58.000 -0.128 0.000 1.228 1113 F CB -0.781 38.102 39.000 -0.195 0.000 0.984 1113 F HN 0.175 8.475 8.300 0.000 0.000 0.477 1114 C N 0.726 119.940 119.300 -0.144 0.000 2.429 1114 C HA -0.117 4.341 4.460 -0.004 0.000 0.277 1114 C C 2.868 177.894 174.990 0.060 0.000 1.262 1114 C CA 1.202 60.117 59.018 -0.172 0.000 1.733 1114 C CB -1.336 26.264 27.740 -0.234 0.000 2.010 1114 C HN 0.525 8.755 8.230 0.000 0.000 0.483 1115 R N 0.838 121.383 120.500 0.075 0.000 2.080 1115 R HA -0.136 4.201 4.340 -0.004 0.000 0.236 1115 R C 2.431 178.692 176.300 -0.065 0.000 1.137 1115 R CA 1.570 57.703 56.100 0.054 0.000 0.943 1115 R CB -0.228 30.091 30.300 0.032 0.000 0.846 1115 R HN 0.526 8.796 8.270 0.000 0.000 0.431 1116 R N 0.055 120.484 120.500 -0.119 0.000 2.120 1116 R HA -0.136 4.202 4.340 -0.004 0.000 0.234 1116 R C 2.312 178.500 176.300 -0.186 0.000 1.123 1116 R CA 1.072 57.090 56.100 -0.136 0.000 0.975 1116 R CB -0.378 29.846 30.300 -0.127 0.000 0.866 1116 R HN 0.180 8.450 8.270 0.000 0.000 0.446 1117 L N 1.526 122.556 121.223 -0.322 0.000 2.017 1117 L HA -0.157 4.181 4.340 -0.004 0.000 0.208 1117 L C 1.934 178.721 176.870 -0.138 0.000 1.073 1117 L CA 1.832 56.495 54.840 -0.295 0.000 0.745 1117 L CB -0.224 41.519 42.059 -0.527 0.000 0.894 1117 L HN -0.021 8.209 8.230 0.000 0.000 0.432 1118 K N -0.758 119.552 120.400 -0.149 0.000 2.147 1118 K HA -0.145 4.173 4.320 -0.004 0.000 0.205 1118 K C 1.789 178.307 176.600 -0.137 0.000 1.049 1118 K CA 1.172 57.342 56.287 -0.195 0.000 0.936 1118 K CB -0.022 32.239 32.500 -0.398 0.000 0.722 1118 K HN 0.357 8.607 8.250 0.000 0.000 0.446 1119 E N -0.906 119.227 120.200 -0.112 0.000 2.358 1119 E HA -0.052 4.296 4.350 -0.004 0.000 0.195 1119 E C 1.184 177.752 176.600 -0.052 0.000 1.010 1119 E CA 0.925 57.277 56.400 -0.079 0.000 0.856 1119 E CB 0.617 30.276 29.700 -0.068 0.000 0.795 1119 E HN 0.539 8.899 8.360 0.000 0.000 0.504 1120 G N 0.955 109.731 108.800 -0.041 0.000 2.227 1120 G HA2 -0.176 3.782 3.960 -0.004 0.000 0.168 1120 G HA3 -0.176 3.782 3.960 -0.004 0.000 0.168 1120 G C 0.330 175.229 174.900 -0.001 0.000 1.006 1120 G CA 0.021 45.114 45.100 -0.010 0.000 0.684 1120 G HN 0.151 8.441 8.290 0.000 0.000 0.489 1121 T N 2.811 117.350 114.554 -0.025 0.000 2.901 1121 T HA 0.582 4.929 4.350 -0.004 0.000 0.301 1121 T C 0.363 175.061 174.700 -0.003 0.000 1.012 1121 T CA 0.189 62.281 62.100 -0.013 0.000 1.135 1121 T CB 1.083 69.928 68.868 -0.038 0.000 0.936 1121 T HN 0.299 8.539 8.240 0.000 0.000 0.539 1122 R N 2.123 122.639 120.500 0.026 0.000 2.837 1122 R HA 0.435 4.772 4.340 -0.004 0.000 0.271 1122 R C -0.072 176.228 176.300 0.000 0.000 0.993 1122 R CA -1.010 55.075 56.100 -0.026 0.000 0.931 1122 R CB 1.371 31.714 30.300 0.073 0.000 1.206 1122 R HN 0.603 8.873 8.270 0.000 0.000 0.474 1123 M N 2.040 121.513 119.600 -0.211 0.000 2.252 1123 M HA 0.100 4.578 4.480 -0.004 0.000 0.329 1123 M C 0.879 177.307 176.300 0.212 0.000 1.101 1123 M CA 0.812 56.003 55.300 -0.181 0.000 1.117 1123 M CB 0.318 32.500 32.600 -0.696 0.000 1.563 1123 M HN 0.130 8.420 8.290 0.000 0.000 0.445 1124 R N 1.206 121.811 120.500 0.176 0.000 2.707 1124 R HA 0.438 4.776 4.340 -0.004 0.000 0.270 1124 R C -0.007 176.356 176.300 0.106 0.000 1.083 1124 R CA -0.541 55.649 56.100 0.149 0.000 1.182 1124 R CB 0.317 30.652 30.300 0.059 0.000 1.084 1124 R HN 0.793 9.063 8.270 0.000 0.000 0.528 1125 A N 3.117 125.637 122.820 -0.500 0.000 2.540 1125 A HA 0.173 4.491 4.320 -0.004 0.000 0.239 1125 A C -1.788 175.673 177.584 -0.206 0.000 1.061 1125 A CA -0.877 50.749 52.037 -0.686 0.000 0.758 1125 A CB -0.414 18.020 19.000 -0.943 0.000 0.991 1125 A HN 0.452 8.602 8.150 0.000 0.000 0.502 1126 P HA 0.219 4.639 4.420 0.000 0.000 0.276 1126 P C -0.330 176.761 177.300 -0.348 0.000 1.261 1126 P CA -0.383 62.446 63.100 -0.451 0.000 0.800 1126 P CB 0.698 31.816 31.700 -0.971 0.000 1.066 1127 D N -0.668 119.470 120.400 -0.437 0.000 2.264 1127 D HA -0.105 4.532 4.640 -0.004 0.000 0.208 1127 D C 0.750 176.662 176.300 -0.646 0.000 0.966 1127 D CA 1.736 55.376 54.000 -0.600 0.000 0.864 1127 D CB -0.308 39.964 40.800 -0.881 0.000 0.933 1127 D HN 0.477 8.847 8.370 0.000 0.000 0.499 1128 Y N -0.573 119.641 120.300 -0.144 0.000 2.612 1128 Y HA 0.220 4.768 4.550 -0.004 0.000 0.250 1128 Y C 1.028 177.001 175.900 0.121 0.000 1.175 1128 Y CA -0.442 57.625 58.100 -0.054 0.000 1.205 1128 Y CB 0.190 38.436 38.460 -0.357 0.000 1.201 1128 Y HN -0.289 7.991 8.280 0.000 0.000 0.532 1129 T N 1.355 115.974 114.554 0.108 0.000 2.860 1129 T HA 0.245 4.592 4.350 -0.004 0.000 0.299 1129 T C 0.659 175.336 174.700 -0.037 0.000 1.045 1129 T CA -0.137 61.950 62.100 -0.021 0.000 1.071 1129 T CB 0.543 69.322 68.868 -0.147 0.000 0.985 1129 T HN 0.403 8.643 8.240 0.000 0.000 0.537 1130 T N 2.298 116.762 114.554 -0.150 0.000 2.902 1130 T HA 0.439 4.787 4.350 -0.004 0.000 0.280 1130 T C -1.873 172.782 174.700 -0.074 0.000 0.992 1130 T CA -1.714 60.339 62.100 -0.078 0.000 1.015 1130 T CB 1.000 69.825 68.868 -0.071 0.000 1.044 1130 T HN 0.314 8.554 8.240 0.000 0.000 0.520 1131 P HA -0.067 4.353 4.420 0.000 0.000 0.215 1131 P C 1.155 178.466 177.300 0.017 0.000 1.153 1131 P CA 1.065 64.179 63.100 0.023 0.000 0.853 1131 P CB 0.055 31.768 31.700 0.021 0.000 0.788 1132 E N -1.394 118.796 120.200 -0.018 0.000 2.106 1132 E HA -0.115 4.232 4.350 -0.004 0.000 0.192 1132 E C 1.973 178.543 176.600 -0.050 0.000 0.984 1132 E CA 1.167 57.562 56.400 -0.008 0.000 0.806 1132 E CB -0.751 28.942 29.700 -0.010 0.000 0.750 1132 E HN 0.142 8.502 8.360 0.000 0.000 0.458 1133 M N -0.751 118.751 119.600 -0.163 0.000 2.254 1133 M HA -0.079 4.399 4.480 -0.004 0.000 0.265 1133 M C 1.992 178.173 176.300 -0.198 0.000 1.066 1133 M CA 1.188 56.312 55.300 -0.293 0.000 1.123 1133 M CB -0.654 31.485 32.600 -0.767 0.000 1.388 1133 M HN 0.194 8.484 8.290 0.000 0.000 0.425 1134 Y N 1.301 121.456 120.300 -0.242 0.000 2.220 1134 Y HA -0.241 4.307 4.550 -0.004 0.000 0.291 1134 Y C 2.565 178.364 175.900 -0.168 0.000 1.129 1134 Y CA 1.972 59.965 58.100 -0.179 0.000 1.161 1134 Y CB -0.467 37.933 38.460 -0.099 0.000 0.997 1134 Y HN 0.261 8.541 8.280 0.000 0.000 0.522 1135 Q N -0.085 119.607 119.800 -0.179 0.000 2.096 1135 Q HA -0.162 4.175 4.340 -0.004 0.000 0.204 1135 Q C 2.052 177.889 176.000 -0.271 0.000 0.982 1135 Q CA 2.738 58.401 55.803 -0.233 0.000 0.850 1135 Q CB -0.691 27.995 28.738 -0.088 0.000 0.901 1135 Q HN 0.450 8.720 8.270 0.000 0.000 0.422 1136 T N 0.333 114.771 114.554 -0.193 0.000 2.746 1136 T HA -0.132 4.216 4.350 -0.004 0.000 0.267 1136 T C 1.727 176.201 174.700 -0.375 0.000 1.039 1136 T CA 1.609 63.609 62.100 -0.167 0.000 1.142 1136 T CB -0.208 68.661 68.868 0.001 0.000 0.866 1136 T HN 0.312 8.552 8.240 0.000 0.000 0.444 1137 M N 0.597 119.858 119.600 -0.564 0.000 2.065 1137 M HA -0.065 4.413 4.480 -0.004 0.000 0.259 1137 M C 2.232 177.703 176.300 -1.382 0.000 1.069 1137 M CA 1.724 56.350 55.300 -1.123 0.000 1.110 1137 M CB -0.725 31.199 32.600 -1.127 0.000 1.328 1137 M HN 0.185 8.475 8.290 0.000 0.000 0.405 1138 L N -0.169 120.510 121.223 -0.907 0.000 2.042 1138 L HA -0.261 4.076 4.340 -0.004 0.000 0.210 1138 L C 2.021 178.706 176.870 -0.308 0.000 1.076 1138 L CA 1.054 55.595 54.840 -0.498 0.000 0.749 1138 L CB -0.990 40.818 42.059 -0.420 0.000 0.893 1138 L HN 0.307 8.537 8.230 0.000 0.000 0.432 1139 D N -0.380 119.845 120.400 -0.293 0.000 2.117 1139 D HA -0.165 4.472 4.640 -0.004 0.000 0.197 1139 D C 2.257 178.490 176.300 -0.112 0.000 0.987 1139 D CA 1.338 55.254 54.000 -0.141 0.000 0.829 1139 D CB -0.440 40.276 40.800 -0.140 0.000 0.961 1139 D HN 0.360 8.730 8.370 0.000 0.000 0.460 1140 C N 0.245 119.382 119.300 -0.271 0.000 2.432 1140 C HA -0.110 4.347 4.460 -0.004 0.000 0.280 1140 C C 1.619 176.543 174.990 -0.110 0.000 1.353 1140 C CA -0.124 58.772 59.018 -0.204 0.000 1.766 1140 C CB -0.943 26.612 27.740 -0.309 0.000 1.924 1140 C HN 0.436 8.666 8.230 0.000 0.000 0.509 1141 W N 0.485 121.601 121.300 -0.307 0.000 3.391 1141 W HA 0.259 4.916 4.660 -0.004 0.000 0.372 1141 W C 1.015 177.506 176.519 -0.047 0.000 1.171 1141 W CA -0.685 56.296 57.345 -0.607 0.000 1.862 1141 W CB -1.753 27.146 29.460 -0.935 0.000 1.048 1141 W HN 0.446 8.626 8.180 0.000 0.000 0.726 1142 H N 0.232 119.418 119.070 0.194 0.000 3.001 1142 H HA 0.018 4.572 4.556 -0.004 0.000 0.334 1142 H C 1.513 177.033 175.328 0.320 0.000 1.034 1142 H CA 1.633 57.797 56.048 0.194 0.000 1.420 1142 H CB 1.129 30.952 29.762 0.101 0.000 1.405 1142 H HN 0.213 8.493 8.280 0.000 0.000 0.593 1143 G N 4.604 113.592 108.800 0.313 0.000 2.443 1143 G HA2 -0.118 3.839 3.960 -0.004 0.000 0.219 1143 G HA3 -0.118 3.839 3.960 -0.004 0.000 0.219 1143 G C 0.328 175.399 174.900 0.287 0.000 1.131 1143 G CA 0.131 45.405 45.100 0.290 0.000 0.775 1143 G HN 0.534 8.824 8.290 0.000 0.000 0.547 1144 E N 0.521 121.001 120.200 0.466 0.000 2.130 1144 E HA 0.194 4.541 4.350 -0.004 0.000 0.284 1144 E C -1.640 175.023 176.600 0.105 0.000 1.018 1144 E CA -2.072 54.447 56.400 0.198 0.000 0.817 1144 E CB 1.847 31.614 29.700 0.110 0.000 1.078 1144 E HN 0.033 8.393 8.360 0.000 0.000 0.396 1145 P HA -0.198 4.222 4.420 0.000 0.000 0.216 1145 P C 1.363 178.666 177.300 0.005 0.000 1.150 1145 P CA 1.432 64.574 63.100 0.071 0.000 0.843 1145 P CB 0.241 31.973 31.700 0.053 0.000 0.787 1146 S N -1.672 114.007 115.700 -0.034 0.000 2.481 1146 S HA -0.103 4.364 4.470 -0.004 0.000 0.231 1146 S C 1.677 176.201 174.600 -0.127 0.000 0.996 1146 S CA 0.715 58.878 58.200 -0.063 0.000 0.942 1146 S CB -0.797 62.372 63.200 -0.051 0.000 0.768 1146 S HN 0.103 8.413 8.310 0.000 0.000 0.520 1147 Q N 0.694 120.346 119.800 -0.246 0.000 2.356 1147 Q HA 0.284 4.622 4.340 -0.004 0.000 0.205 1147 Q C 0.295 176.115 176.000 -0.301 0.000 0.901 1147 Q CA 0.119 55.672 55.803 -0.417 0.000 0.938 1147 Q CB 0.080 28.210 28.738 -1.013 0.000 1.081 1147 Q HN 0.625 8.895 8.270 0.000 0.000 0.517 1148 R N 2.038 122.457 120.500 -0.135 0.000 2.694 1148 R HA 0.145 4.483 4.340 -0.004 0.000 0.268 1148 R C -2.090 174.162 176.300 -0.080 0.000 1.061 1148 R CA -1.323 54.760 56.100 -0.028 0.000 1.133 1148 R CB -0.346 29.981 30.300 0.046 0.000 1.020 1148 R HN -0.010 8.260 8.270 0.000 0.000 0.475 1149 P HA -0.022 4.398 4.420 0.000 0.000 0.270 1149 P C -0.288 176.912 177.300 -0.166 0.000 1.223 1149 P CA -0.194 62.840 63.100 -0.110 0.000 0.785 1149 P CB 0.463 32.103 31.700 -0.099 0.000 0.923 1150 T N -1.942 112.531 114.554 -0.135 0.000 2.847 1150 T HA 0.264 4.611 4.350 -0.004 0.000 0.279 1150 T C 1.040 175.620 174.700 -0.200 0.000 0.984 1150 T CA -0.245 61.760 62.100 -0.158 0.000 0.988 1150 T CB 0.023 68.864 68.868 -0.045 0.000 1.040 1150 T HN 0.073 8.313 8.240 0.000 0.000 0.528 1151 F N 0.519 120.432 119.950 -0.061 0.000 2.171 1151 F HA -0.005 4.520 4.527 -0.004 0.000 0.300 1151 F C 3.066 178.817 175.800 -0.082 0.000 1.090 1151 F CA 1.272 59.196 58.000 -0.126 0.000 1.293 1151 F CB -0.946 37.956 39.000 -0.162 0.000 1.013 1151 F HN 0.553 8.853 8.300 0.000 0.000 0.486 1152 S N -0.285 115.486 115.700 0.119 0.000 2.370 1152 S HA -0.219 4.249 4.470 -0.004 0.000 0.226 1152 S C 1.926 176.570 174.600 0.074 0.000 1.033 1152 S CA 1.550 59.798 58.200 0.080 0.000 1.011 1152 S CB -0.367 62.870 63.200 0.062 0.000 0.852 1152 S HN 0.452 8.762 8.310 0.000 0.000 0.457 1153 E N 0.775 121.002 120.200 0.045 0.000 2.077 1153 E HA -0.091 4.257 4.350 -0.004 0.000 0.193 1153 E C 2.036 178.692 176.600 0.094 0.000 0.989 1153 E CA 0.898 57.326 56.400 0.046 0.000 0.800 1153 E CB -0.258 29.441 29.700 -0.003 0.000 0.746 1153 E HN 0.402 8.762 8.360 0.000 0.000 0.452 1154 L N 0.363 121.632 121.223 0.077 0.000 2.083 1154 L HA -0.179 4.159 4.340 -0.004 0.000 0.209 1154 L C 2.425 179.421 176.870 0.210 0.000 1.083 1154 L CA 0.618 55.547 54.840 0.149 0.000 0.752 1154 L CB -0.334 41.764 42.059 0.065 0.000 0.899 1154 L HN 0.056 8.286 8.230 0.000 0.000 0.433 1155 V N -0.023 119.985 119.914 0.157 0.000 2.287 1155 V HA -0.312 3.805 4.120 -0.004 0.000 0.248 1155 V C 2.550 178.826 176.094 0.302 0.000 1.053 1155 V CA 2.138 64.553 62.300 0.191 0.000 1.027 1155 V CB -0.438 31.430 31.823 0.075 0.000 0.646 1155 V HN 0.470 8.660 8.190 0.000 0.000 0.447 1156 E N 0.006 120.334 120.200 0.214 0.000 2.051 1156 E HA -0.276 4.071 4.350 -0.004 0.000 0.192 1156 E C 2.152 178.874 176.600 0.203 0.000 0.991 1156 E CA 2.088 58.602 56.400 0.190 0.000 0.799 1156 E CB -0.420 29.362 29.700 0.138 0.000 0.748 1156 E HN 0.765 9.125 8.360 0.000 0.000 0.449 1157 H N -0.191 118.945 119.070 0.111 0.000 2.299 1157 H HA 0.038 4.591 4.556 -0.004 0.000 0.302 1157 H C 1.970 177.363 175.328 0.109 0.000 1.078 1157 H CA 2.015 58.114 56.048 0.085 0.000 1.323 1157 H CB -0.352 29.448 29.762 0.065 0.000 1.381 1157 H HN 0.206 8.486 8.280 0.000 0.000 0.498 1158 L N -0.593 120.688 121.223 0.096 0.000 2.083 1158 L HA -0.078 4.260 4.340 -0.004 0.000 0.209 1158 L C 2.785 179.671 176.870 0.027 0.000 1.083 1158 L CA 1.102 55.996 54.840 0.090 0.000 0.752 1158 L CB -0.760 41.513 42.059 0.355 0.000 0.899 1158 L HN 0.481 8.711 8.230 0.000 0.000 0.433 1159 G N -0.130 108.720 108.800 0.083 0.000 2.422 1159 G HA2 -0.259 3.699 3.960 -0.004 0.000 0.218 1159 G HA3 -0.259 3.699 3.960 -0.004 0.000 0.218 1159 G C 1.403 176.184 174.900 -0.198 0.000 1.146 1159 G CA 0.663 45.597 45.100 -0.276 0.000 0.769 1159 G HN 0.318 8.608 8.290 0.000 0.000 0.547 1160 N N 0.565 119.209 118.700 -0.094 0.000 2.142 1160 N HA -0.020 4.718 4.740 -0.004 0.000 0.186 1160 N C 2.307 177.739 175.510 -0.130 0.000 1.023 1160 N CA 0.653 53.650 53.050 -0.089 0.000 0.852 1160 N CB -0.400 38.072 38.487 -0.027 0.000 0.998 1160 N HN 0.296 8.676 8.380 0.000 0.000 0.424 1161 L N 0.227 121.333 121.223 -0.195 0.000 2.083 1161 L HA -0.133 4.205 4.340 -0.004 0.000 0.209 1161 L C 2.241 179.040 176.870 -0.119 0.000 1.083 1161 L CA 0.621 55.360 54.840 -0.168 0.000 0.752 1161 L CB -0.411 41.516 42.059 -0.220 0.000 0.899 1161 L HN 0.133 8.363 8.230 0.000 0.000 0.433 1162 L N -0.280 120.853 121.223 -0.150 0.000 2.056 1162 L HA -0.211 4.127 4.340 -0.004 0.000 0.207 1162 L C 2.544 179.322 176.870 -0.153 0.000 1.078 1162 L CA 1.745 56.488 54.840 -0.163 0.000 0.749 1162 L CB -0.492 41.387 42.059 -0.300 0.000 0.901 1162 L HN 0.224 8.454 8.230 0.000 0.000 0.433 1163 Q N -0.915 118.787 119.800 -0.163 0.000 2.079 1163 Q HA -0.123 4.214 4.340 -0.004 0.000 0.200 1163 Q C 2.269 178.219 176.000 -0.082 0.000 0.974 1163 Q CA 1.515 57.245 55.803 -0.121 0.000 0.840 1163 Q CB -0.353 28.319 28.738 -0.111 0.000 0.898 1163 Q HN 0.666 8.936 8.270 0.000 0.000 0.430 1164 A N 1.274 124.050 122.820 -0.073 0.000 1.940 1164 A HA -0.265 4.053 4.320 -0.004 0.000 0.219 1164 A C 1.780 179.337 177.584 -0.045 0.000 1.176 1164 A CA 1.838 53.845 52.037 -0.051 0.000 0.631 1164 A CB -0.766 18.206 19.000 -0.046 0.000 0.814 1164 A HN 0.391 8.541 8.150 0.000 0.000 0.446 1165 N N -0.085 118.585 118.700 -0.050 0.000 2.223 1165 N HA -0.050 4.687 4.740 -0.004 0.000 0.185 1165 N C 1.185 176.674 175.510 -0.036 0.000 1.016 1165 N CA 1.557 54.586 53.050 -0.034 0.000 0.863 1165 N CB -0.226 38.245 38.487 -0.026 0.000 0.983 1165 N HN 0.362 8.742 8.380 0.000 0.000 0.429 1166 A N -0.067 122.723 122.820 -0.049 0.000 2.465 1166 A HA 0.117 4.435 4.320 -0.004 0.000 0.255 1166 A C 0.298 177.856 177.584 -0.042 0.000 1.274 1166 A CA -0.496 51.512 52.037 -0.048 0.000 0.920 1166 A CB -0.374 18.588 19.000 -0.062 0.000 1.033 1166 A HN 0.564 8.714 8.150 0.000 0.000 0.516 1167 Q N 0.686 120.463 119.800 -0.038 0.000 2.417 1167 Q HA 0.263 4.601 4.340 -0.004 0.000 0.241 1167 Q C 0.029 176.013 176.000 -0.026 0.000 1.008 1167 Q CA -0.527 55.257 55.803 -0.032 0.000 0.901 1167 Q CB 0.292 29.013 28.738 -0.029 0.000 1.259 1167 Q HN 0.627 8.897 8.270 0.000 0.000 0.489 1168 Q N 1.035 120.821 119.800 -0.023 0.000 2.584 1168 Q HA 0.069 4.407 4.340 -0.004 0.000 0.218 1168 Q C -0.450 175.540 176.000 -0.017 0.000 1.079 1168 Q CA -0.583 55.209 55.803 -0.019 0.000 1.008 1168 Q CB 0.342 29.070 28.738 -0.018 0.000 1.267 1168 Q HN 0.749 9.019 8.270 0.000 0.000 0.586 1169 D N 0.000 120.391 120.400 -0.015 0.000 6.856 1169 D HA 0.000 4.638 4.640 -0.004 0.000 0.175 1169 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 1169 D CB 0.000 40.793 40.800 -0.011 0.000 0.688 1169 D HN 0.000 8.370 8.370 0.000 0.000 0.683