NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 845 S 4.4859 8.3344 115.3012 58.1803 64.3284 174.2536 846 V 3.7318 7.6416 119.4115 60.9826 32.0305 173.8115 847 F 5.1932 9.1354 121.3099 55.1504 42.7066 173.2218 848 V 3.7008 8.7331 120.3586 63.3669 31.7449 174.7083 849 K 4.5830 9.2456 128.6009 57.6930 34.2836 175.4331 850 N 5.4137 7.4888 115.7060 51.4273 43.0807 173.6123 851 V 4.2045 8.1940 119.8591 60.6529 35.3435 173.5751 852 G 4.5542 9.2751 108.9100 45.9570 0.0000 171.5394 853 W 5.7559 8.6704 116.2644 55.6840 32.4153 173.5382 854 A 5.3233 9.2965 122.2775 50.9967 21.6891 175.3772 855 T 5.1068 9.4276 113.2682 59.5402 71.9419 174.8719 856 Q 4.4797 9.0067 120.3568 56.4366 28.1862 176.9710 857 L 4.2023 8.7006 128.4197 57.7175 42.6536 176.1698 858 T 4.7419 7.6711 105.4413 61.1301 70.4884 172.3192 859 S 5.0388 7.6867 116.1087 57.4594 67.3799 172.4145 860 G 4.3567 8.4841 106.0339 45.8843 0.0000 171.9784 861 A 5.3681 8.7636 120.7794 49.9765 22.7542 175.3619 862 V 5.0958 9.0336 121.1535 60.8373 34.8433 174.1601 863 W 5.4671 9.6561 135.0000 55.6965 34.1131 174.1554 864 V 3.9173 8.1328 124.9661 60.9074 34.9132 173.6705 865 Q 4.6204 7.8406 126.2519 54.0296 31.7585 175.2588 866 F 4.9478 8.6871 122.8140 55.6678 41.1155 176.8916 867 N 4.1646 8.5756 118.2331 55.2551 36.9451 175.6741 868 D 4.4789 7.9577 116.9769 53.2626 39.7822 177.2016 869 G 3.9664 8.1592 109.1112 45.3057 0.0000 174.0743 870 S 4.6538 8.4337 115.0404 58.2914 64.8093 173.2418 871 Q 5.0933 8.5371 118.0894 54.3587 32.9133 174.4082 872 L 4.8939 8.9275 122.2450 52.9150 45.1601 175.5609 873 V 4.8958 8.6411 123.0569 61.4448 33.8760 174.2958 874 M 4.8809 9.3919 127.8280 53.6559 35.1815 174.7362 875 Q 5.0094 8.7668 121.7614 54.7968 30.7371 174.7143 876 A 4.7726 9.2013 124.1847 50.9244 23.3880 174.8816 877 G 4.4075 8.1768 103.9804 45.0186 0.0000 173.2831 878 V 4.0589 8.7365 123.7983 62.6754 31.5544 175.9443 879 S 4.8778 8.8465 121.3176 58.6228 64.9942 174.1823 880 S 4.9808 7.8818 113.6191 56.9484 65.9611 173.5476 881 I 4.6629 9.1365 122.9724 59.6077 40.9168 174.3908 882 S 5.0256 8.8467 120.5427 56.8380 64.5794 172.0126 883 Y 4.6863 9.1138 129.8523 56.5750 40.3474 174.1683 884 T 4.9283 7.7715 123.4532 61.3580 70.6207 174.5172 885 S 4.1215 8.7020 121.9624 57.1008 63.8205 173.5828 886 P 4.2213 0.0000 0.0000 65.5976 31.0386 177.2766 887 D 4.5690 8.0928 115.4949 54.1920 40.8111 176.8867 888 G 3.8522 8.4360 107.6947 45.5869 0.0000 173.1756 889 Q 4.5230 8.0394 119.2215 54.7120 30.4317 174.7613 890 T 5.1221 8.4881 120.3795 62.2471 70.8069 174.0722 891 T 4.6058 8.9603 122.0281 61.8259 72.0298 173.1139 892 R 5.1393 8.4344 124.6553 54.7053 32.8401 175.1467 893 Y 4.8417 9.5241 119.7623 56.4095 42.1956 175.5573 894 G 4.2166 9.2292 111.4173 44.3193 0.0000 174.0473 895 E 4.0236 8.8627 119.8033 58.9566 29.5682 176.8328 896 N 4.6949 8.1038 114.2945 53.4775 39.2390 173.8235 897 E 4.7794 7.8978 116.0968 54.9071 32.1427 175.3247 898 K 4.3685 8.3728 122.1875 55.3165 33.5413 176.0062 899 L 3.9909 7.8962 124.4590 52.7637 43.2552 175.6441 900 P 4.4383 0.0000 0.0000 62.1372 33.3332 177.7014 901 E 3.9438 8.6666 119.8246 59.7309 29.0397 179.3146 902 Y 4.1210 8.0224 117.1791 59.6950 38.1140 178.2423 903 I 3.1650 6.5376 121.4825 63.8449 37.1811 178.1026 904 K 3.7980 7.5750 119.2050 59.5613 31.6618 179.1125 905 Q 4.1154 7.9785 117.2345 59.3171 28.8652 179.3068 906 K 4.1609 7.6467 118.6834 59.2925 32.0477 179.4214 907 L 3.9869 7.9544 119.4537 57.9315 41.3787 179.5415 908 Q 4.0358 8.3802 118.1303 58.7745 28.4013 178.4664 909 L 4.1781 7.6267 118.1545 56.4774 41.7093 178.2797 910 L 4.4381 7.6897 118.0749 54.8194 42.3292 177.0830 911 S 4.3706 7.1237 115.6645 59.3276 63.3877 174.1465 912 S 4.7962 8.9964 117.9259 57.5254 67.1045 173.0176 913 I 5.1604 8.2944 120.0273 59.5501 40.0903 174.8831 914 L 4.5592 8.5108 128.7351 52.9239 45.2906 175.0383 915 L 4.9104 8.2211 124.2219 53.0847 45.2051 175.4592 916 M 4.6876 8.7333 123.3561 53.6976 35.3781 173.9370 917 F 5.6745 8.6904 123.2063 54.3991 43.0054 174.9033 918 S 4.3286 8.8034 118.5044 58.5934 63.4426 174.1302 919 N 4.5056 8.7225 121.5120 53.7645 38.7799 174.4722 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 845 S 8.33 4.49 0.00 3.89 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 0.00 846 V 7.64 3.73 2.03 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 0.65 0.00 0.00 0.84 0.00 0.00 847 F 9.14 5.19 0.00 3.14 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 0.00 848 V 8.73 3.70 2.10 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 0.52 0.00 0.00 0.95 0.00 0.00 849 K 9.25 4.58 0.00 1.70 1.72 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.53 7.81 850 N 7.49 5.41 0.00 2.17 2.41 0.00 0.00 6.57 7.68 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 0.00 851 V 8.19 4.20 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.92 0.00 0.00 852 G 9.28 4.55 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 0.00 0.00 0.00 853 W 8.67 5.76 0.00 3.46 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 0.00 854 A 9.30 5.32 1.31 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 0.00 855 T 9.43 5.11 4.18 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 0.96 0.00 0.00 856 Q 9.01 4.48 0.00 1.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 857 L 8.70 4.20 0.00 1.55 1.59 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 858 T 7.67 4.74 4.20 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 1.15 0.00 0.00 859 S 7.69 5.04 0.00 3.84 3.93 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 G 8.48 4.36 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 0.00 861 A 8.76 5.37 1.27 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 V 9.03 5.10 2.16 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 1.06 0.00 0.00 0.98 0.00 0.00 863 W 9.66 5.47 0.00 3.35 3.04 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 0.00 0.00 0.00 0.00 864 V 8.13 3.92 1.62 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 -0.05 0.00 0.00 0.73 0.00 0.00 865 Q 7.84 4.62 0.00 1.36 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.48 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 866 F 8.69 4.95 0.00 3.14 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 867 N 8.58 4.16 0.00 2.19 1.42 0.00 0.00 6.95 8.86 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 0.00 868 D 7.96 4.48 0.00 2.76 2.73 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 0.00 869 G 8.16 3.97 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 0.00 870 S 8.43 4.65 0.00 3.98 4.03 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 Q 8.54 5.09 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 872 L 8.93 4.89 0.00 1.57 1.59 1.17 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 873 V 8.64 4.90 2.17 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 0.91 0.00 0.00 1.13 0.00 0.00 874 M 9.39 4.88 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 875 Q 8.77 5.01 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 876 A 9.20 4.77 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 G 8.18 4.41 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 0.00 878 V 8.74 4.06 2.05 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 0.92 0.00 0.00 879 S 8.85 4.88 0.00 3.89 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 0.00 880 S 7.88 4.98 0.00 3.87 3.84 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 0.00 881 I 9.14 4.66 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.90 0.95 0.00 0.00 882 S 8.85 5.03 0.00 3.87 3.77 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 0.00 883 Y 9.11 4.69 0.00 3.17 2.99 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 0.00 884 T 7.77 4.93 4.06 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 0.00 0.00 0.00 1.11 0.00 0.00 885 S 8.70 4.12 0.00 4.07 4.18 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 0.00 886 P 0.00 4.22 0.00 2.07 2.17 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 887 D 8.09 4.57 0.00 2.67 2.69 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 0.00 888 G 8.44 3.85 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 0.00 889 Q 8.04 4.52 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 890 T 8.49 5.12 4.24 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 0.00 891 T 8.96 4.61 4.44 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 0.87 0.00 0.00 892 R 8.43 5.14 0.00 1.59 1.80 0.00 3.12 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 893 Y 9.52 4.84 0.00 2.83 2.80 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 0.00 894 G 9.23 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 0.00 0.00 0.00 0.00 895 E 8.86 4.02 0.00 1.95 2.01 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 2.29 2.31 0.00 896 N 8.10 4.69 0.00 2.73 2.81 0.00 0.00 6.82 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 0.00 897 E 7.90 4.78 0.00 2.25 1.98 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 2.28 2.24 0.00 898 K 8.37 4.37 0.00 1.71 1.70 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.40 7.81 899 L 7.90 3.99 0.00 1.42 1.13 0.73 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 900 P 0.00 4.44 0.00 1.75 2.03 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 901 E 8.67 3.94 0.00 2.00 2.00 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 2.39 2.31 0.00 902 Y 8.02 4.12 0.00 3.18 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 0.00 903 I 6.54 3.16 1.43 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 0.53 0.00 0.00 904 K 7.57 3.80 0.00 1.80 1.77 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.55 7.81 905 Q 7.98 4.12 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 906 K 7.65 4.16 0.00 1.90 1.88 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.52 7.81 907 L 7.95 3.99 0.00 1.75 1.67 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 908 Q 8.38 4.04 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.67 0.00 909 L 7.63 4.18 0.00 1.70 1.74 0.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 910 L 7.69 4.44 0.00 1.69 1.70 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 911 S 7.12 4.37 0.00 3.82 3.97 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 0.00 912 S 9.00 4.80 0.00 4.04 4.07 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 0.00 913 I 8.29 5.16 1.89 0.00 0.00 0.88 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 0.73 0.90 0.00 0.00 914 L 8.51 4.56 0.00 0.81 0.13 0.44 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 915 L 8.22 4.91 0.00 1.54 1.38 0.98 0.75 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 0.00 916 M 8.73 4.69 0.00 1.79 1.64 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 917 F 8.69 5.67 0.00 2.86 3.04 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 0.00 0.00 0.00 0.00 918 S 8.80 4.33 0.00 3.88 3.88 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 0.00 919 N 8.72 4.51 0.00 2.71 2.70 0.00 0.00 6.96 7.56 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