NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 818 G 3.9787 8.3549 109.7357 45.0213 0.0000 173.9032 819 I 3.5865 8.2898 119.9925 63.1161 37.3525 175.6180 820 D 4.4253 7.9872 121.0274 53.7521 42.1063 174.6783 821 P 4.4520 0.0000 0.0000 64.9993 31.9224 177.2949 822 F 4.2818 9.0333 118.6298 59.9744 39.7582 175.9968 823 T 4.4579 8.1376 108.9870 61.6860 69.8775 174.4289 824 G 4.1574 8.8791 110.7424 44.9691 0.0000 172.0033 825 E 5.2437 9.0542 117.7657 54.7472 33.9888 175.1014 826 A 5.0217 8.8886 123.6139 50.6813 23.6617 174.7418 827 I 4.7724 8.3374 119.5847 58.8941 40.2715 175.4659 828 A 4.1586 8.7341 129.5169 52.6627 18.6044 177.8345 829 K 3.9305 8.9805 123.8197 57.3301 33.3709 176.4344 830 F 5.2852 7.9789 115.7607 55.2543 43.1019 174.6741 831 N 4.8846 9.1427 117.9101 53.8659 39.5036 174.4708 832 F 4.5627 8.8932 123.4348 56.6254 42.9037 172.7794 833 N 4.6209 7.8730 123.5346 50.8327 39.9026 175.2708 834 G 3.5236 8.2888 113.9601 45.5179 0.0000 173.1962 835 D 4.4519 9.2519 122.1829 56.4941 41.3726 176.5079 836 T 4.6722 7.4553 107.2872 59.6107 72.0262 173.9520 837 Q 3.9705 8.8735 122.3854 59.5919 28.9936 178.5216 838 V 3.8245 7.7371 109.7870 63.3152 32.0362 175.3036 839 E 5.0785 8.0086 119.7556 55.6532 30.6309 175.6440 840 M 4.6142 9.2407 124.7418 54.3790 33.1045 175.8942 841 S 4.6386 8.7930 122.7220 58.6608 64.3655 173.1298 842 F 4.9667 8.3266 116.5547 56.7124 41.7837 172.6349 843 R 5.2376 9.3761 117.8739 53.6234 33.6352 175.8013 844 K 4.0761 8.9890 122.0731 58.8186 32.4056 177.1707 845 G 3.9870 8.9194 114.4871 44.9848 0.0000 173.3663 846 E 4.1965 7.8734 120.2434 55.8947 30.6191 176.3549 847 R 4.4940 8.4739 124.9080 56.3308 31.3252 175.5041 848 I 4.5334 8.6157 126.1730 59.6281 41.2094 174.7036 849 T 4.5399 8.8250 124.2600 63.3689 69.8306 173.5673 850 L 4.5961 8.6050 127.0692 53.8320 42.6149 177.3455 851 L 4.2414 8.9339 125.1631 57.0713 42.7935 177.6304 852 R 4.5252 7.6607 115.6398 55.5165 33.5976 173.9560 853 Q 4.5103 8.9512 127.7335 55.2568 28.4208 175.6124 854 V 3.9348 8.2815 120.4746 63.3891 32.2626 175.8609 855 D 4.5890 7.3663 116.5824 52.6368 40.9845 174.3669 856 E 4.0952 8.8558 115.7688 59.0006 29.9519 176.7027 857 N 4.8963 9.0702 115.1903 52.1205 41.4687 174.0320 858 W 5.1014 8.2702 118.3597 54.9013 33.1725 173.9336 859 Y 5.1233 8.4177 120.6455 56.3398 40.3868 174.2222 860 E 4.8755 9.2010 124.1665 55.4240 31.6793 175.4238 861 G 4.7260 9.3041 113.1350 46.1762 0.0000 171.3008 862 R 5.2232 9.0114 114.6070 55.1819 33.4075 174.0696 863 I 4.6816 8.3446 121.6970 58.6304 39.0770 173.9057 864 P 4.2986 0.0000 0.0000 64.2407 31.5350 176.8271 865 G 3.9443 9.3648 109.0592 45.6832 0.0000 172.3650 866 T 4.7181 7.4798 108.1974 60.2021 71.9872 173.6403 867 S 4.6647 8.4727 113.1228 58.0148 63.4934 174.1056 868 R 4.2358 8.0552 121.7905 56.3366 30.4364 175.4642 869 Q 5.0903 7.6711 121.3085 54.1949 32.2810 174.4670 870 G 4.0146 7.8240 110.6748 46.1646 0.0000 170.9516 871 I 5.1984 7.4284 113.2953 59.8672 40.4921 174.7189 872 F 5.1850 8.4755 116.6838 55.5189 41.6417 171.3975 873 P 4.1928 0.0000 0.0000 61.7547 32.2406 177.6245 874 I 3.9378 8.5850 124.7550 64.8849 37.3954 178.4631 875 T 3.8752 8.1109 115.8129 67.0632 68.3642 174.1434 876 Y 4.6267 8.5870 116.4470 58.3421 38.2551 175.2172 877 V 4.8748 7.7626 112.5998 59.5432 35.6406 174.6012 878 D 4.7379 8.7830 122.6056 53.0601 42.1708 175.9602 879 V 4.0797 8.3720 124.7145 62.5378 31.6317 175.5458 880 I 4.1746 8.6428 129.5768 63.1476 38.4128 176.6791 881 K 4.5395 7.5639 122.3820 55.1395 35.4012 175.7648 882 R 4.7244 8.6419 126.5173 54.8883 31.2291 174.6063 883 P 4.6902 0.0000 0.0000 63.0003 32.4496 176.3681 884 L 4.3205 8.8863 120.6385 55.0454 41.7679 176.5418 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 818 G 8.35 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 819 I 8.29 3.59 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.21 0.92 0.00 0.00 820 D 7.99 4.43 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 821 P 0.00 4.45 0.00 2.24 2.20 0.00 3.94 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.09 0.00 822 F 9.03 4.28 0.00 3.17 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 823 T 8.14 4.46 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 824 G 8.88 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 825 E 9.05 5.24 0.00 1.77 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.36 0.00 826 A 8.89 5.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 827 I 8.34 4.77 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.00 0.84 0.00 0.00 828 A 8.73 4.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 829 K 8.98 3.93 0.00 1.60 1.69 0.00 1.72 0.00 0.00 1.43 0.00 0.00 2.66 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.98 7.81 830 F 7.98 5.29 0.00 3.06 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 831 N 9.14 4.88 0.00 2.70 2.80 0.00 0.00 6.62 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 832 F 8.89 4.56 0.00 2.37 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 833 N 7.87 4.62 0.00 2.32 2.45 0.00 0.00 7.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 834 G 8.29 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 835 D 9.25 4.45 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 836 T 7.46 4.67 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 837 Q 8.87 3.97 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 838 V 7.74 3.82 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.87 0.00 0.00 839 E 8.01 5.08 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 840 M 9.24 4.61 0.00 2.45 2.32 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.78 0.00 841 S 8.79 4.64 0.00 3.76 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 842 F 8.33 4.97 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 843 R 9.38 5.24 0.00 1.82 1.91 0.00 3.18 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 844 K 8.99 4.08 0.00 1.80 1.82 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 845 G 8.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 846 E 7.87 4.20 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 847 R 8.47 4.49 0.00 1.76 1.76 0.00 3.13 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 848 I 8.62 4.53 1.54 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.39 0.71 0.00 0.00 849 T 8.83 4.54 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 850 L 8.61 4.60 0.00 1.43 1.24 0.51 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 851 L 8.93 4.24 0.00 1.71 1.76 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 852 R 7.66 4.53 0.00 1.94 1.77 0.00 3.26 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 853 Q 8.95 4.51 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.23 1.68 0.00 854 V 8.28 3.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.99 0.00 0.00 855 D 7.37 4.59 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 856 E 8.86 4.10 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 857 N 9.07 4.90 0.00 2.50 2.47 0.00 0.00 6.59 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 858 W 8.27 5.10 0.00 3.21 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 859 Y 8.42 5.12 0.00 1.86 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 860 E 9.20 4.88 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 861 G 9.30 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 862 R 9.01 5.22 0.00 2.02 2.05 0.00 2.78 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 863 I 8.34 4.68 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.36 0.89 0.00 0.00 864 P 0.00 4.30 0.00 2.16 2.04 0.00 3.92 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 865 G 9.36 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 866 T 7.48 4.72 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 867 S 8.47 4.66 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 868 R 8.06 4.24 0.00 1.96 1.97 0.00 3.19 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 869 Q 7.67 5.09 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.30 2.64 0.00 870 G 7.82 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 871 I 7.43 5.20 2.01 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 0.89 0.00 0.00 872 F 8.48 5.19 0.00 2.78 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 873 P 0.00 4.19 0.00 2.06 1.25 0.00 2.42 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.00 874 I 8.59 3.94 1.77 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.65 0.97 0.00 0.00 875 T 8.11 3.88 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 876 Y 8.59 4.63 0.00 3.42 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 V 7.76 4.87 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 1.26 0.00 0.00 878 D 8.78 4.74 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 879 V 8.37 4.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.07 0.00 0.00 880 I 8.64 4.17 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.91 0.88 0.00 0.00 881 K 7.56 4.54 0.00 1.76 1.56 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.44 7.81 882 R 8.64 4.72 0.00 1.77 1.91 0.00 3.33 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 883 P 0.00 4.69 0.00 2.17 2.29 0.00 3.90 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 884 L 8.89 4.32 0.00 1.41 1.47 0.34 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00