NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 818 G 3.9445 8.3544 109.7355 45.0518 0.0000 173.5229 819 I 3.5326 8.2367 118.8159 62.6828 38.1705 174.2547 820 D 4.5027 8.8536 122.1703 53.4572 42.1130 174.4804 821 P 4.2988 0.0000 0.0000 65.1329 31.7784 177.5434 822 F 4.3456 9.0693 117.6210 59.8828 39.7717 176.0770 823 T 4.4781 8.2095 109.2085 61.5179 70.2138 174.0629 824 G 4.2661 8.8517 110.0103 44.8046 0.0000 171.9231 825 E 5.3120 9.0556 117.6992 54.8379 34.1967 174.9541 826 A 4.9750 8.9777 123.9250 50.5281 23.6729 174.7103 827 I 4.7310 8.1794 119.9703 58.9640 39.8951 175.3799 828 A 4.2266 8.7411 130.0199 52.4495 18.5670 178.2762 829 K 3.8566 8.8513 122.9127 58.1187 32.8633 177.4172 830 F 5.2664 7.8081 115.6439 55.3182 43.2353 174.6651 831 N 4.7752 9.2245 118.5864 53.8266 39.3517 174.2086 832 F 4.5349 8.9359 125.1856 56.2807 42.2910 173.1394 833 N 4.5324 7.9833 123.6392 51.1998 39.9207 174.8028 834 G 3.5440 8.3254 114.5545 44.8941 0.0000 173.1261 835 D 4.4796 8.9318 124.7006 55.1785 42.0144 176.2333 836 T 4.6434 8.2283 109.1264 59.2519 71.2623 175.2124 837 Q 4.0874 8.4775 119.8719 58.6968 28.8867 178.2812 838 V 3.9138 7.7107 110.0421 62.6670 32.1814 175.6611 839 E 5.0951 7.8131 119.0808 55.8879 30.8915 175.8810 840 M 4.8084 9.0198 121.6360 53.9890 34.0173 175.6353 841 S 4.5265 8.8293 122.6448 58.7754 64.2314 173.3219 842 F 4.9569 8.2715 116.1017 56.6175 41.5874 172.8074 843 R 5.1831 9.4400 118.5160 53.7356 33.2099 175.9626 844 K 4.0575 8.9927 122.4064 58.7448 32.4015 176.8864 845 G 4.0372 8.9349 115.0292 45.1580 0.0000 173.6975 846 E 4.1530 7.9951 119.7472 56.2487 30.7510 175.9391 847 R 4.7164 8.3440 123.5512 55.4343 31.4876 175.4086 848 I 4.4819 8.6073 126.6870 59.5760 40.8822 174.7534 849 T 4.4802 8.6413 123.8636 63.2817 69.7824 173.6762 850 L 4.5012 8.5327 127.2978 54.2425 42.4427 177.3940 851 L 4.2545 9.0574 125.1634 56.9088 42.7407 177.4950 852 R 4.6682 7.6933 116.4325 55.2924 33.6231 173.5722 853 Q 3.9614 8.8681 127.4895 55.7397 29.3429 175.7256 854 V 4.1382 8.0854 119.0798 62.3273 32.9574 175.1744 855 D 4.5634 7.2771 117.2651 52.6439 41.0312 175.1209 856 E 3.8835 8.8974 115.8685 58.9350 29.8105 176.9027 857 N 4.8461 9.0410 115.6711 52.4610 40.7749 173.7650 858 W 5.2634 7.8689 117.6872 54.9648 33.5917 173.9736 859 Y 4.9486 8.4098 120.4161 56.1996 40.9267 174.0929 860 E 5.0153 9.2252 123.1781 55.1735 32.0576 175.2296 861 G 4.7096 9.3422 112.8185 46.1607 0.0000 171.1406 862 R 5.1528 9.0818 115.1327 55.3843 33.6807 174.4300 863 I 4.6245 8.4092 120.7967 58.7527 38.7496 173.9711 864 P 4.3800 0.0000 0.0000 63.9059 31.6963 177.5246 865 G 3.9768 9.3445 109.9290 45.4600 0.0000 172.5596 866 T 4.7104 7.3415 107.5445 60.2746 71.9165 173.7218 867 S 4.6425 8.4650 114.6870 58.3410 63.2826 174.7492 868 R 4.2157 8.0738 121.8794 56.0741 30.4329 175.5147 869 Q 5.0129 7.7123 120.4498 54.7535 32.0352 174.5306 870 G 4.0006 7.6775 110.4574 45.5727 0.0000 171.3322 871 I 5.1445 7.9286 113.9072 60.1220 40.2634 174.7139 872 F 5.0117 8.4179 116.7910 55.4528 41.7330 171.2494 873 P 3.9912 0.0000 0.0000 61.5566 32.1024 177.8181 874 I 3.9618 8.5280 125.2017 64.6108 37.2357 178.4262 875 T 4.0740 7.8707 108.8819 63.9066 68.7707 174.2788 876 Y 4.7426 8.4590 119.5311 58.3233 38.4176 175.2007 877 V 4.6845 7.7870 112.5773 59.4965 35.8129 174.6075 878 D 4.6496 8.7975 122.4740 52.7031 42.1417 175.6938 879 V 3.9969 8.3000 127.3410 63.0350 31.3727 175.5242 880 I 4.1456 8.5855 129.9529 63.1914 38.3941 176.8263 881 K 4.5201 7.5588 122.7897 55.1094 35.3290 175.8201 882 R 4.6194 8.6559 126.3797 55.0655 31.1603 174.7036 883 P 4.6126 0.0000 0.0000 62.9030 32.4038 176.6368 884 L 4.3027 8.7219 121.4734 55.1088 41.7028 176.7769 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 3.94 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 0.00 819 I 8.24 3.53 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 1.31 0.74 0.93 0.00 0.00 820 D 8.85 4.50 0.00 2.77 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 4.30 0.00 1.94 2.01 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 822 F 9.07 4.35 0.00 3.14 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.48 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 824 G 8.85 4.27 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 0.00 825 E 9.06 5.31 0.00 1.75 1.71 0.00 0.00 0.00 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 8.98 4.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.73 1.77 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 1.07 0.81 0.82 0.00 0.00 828 A 8.74 4.23 1.19 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 0.00 0.00 829 K 8.85 3.86 0.00 0.79 0.74 0.00 1.49 0.00 0.00 1.48 0.00 0.00 2.61 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 1.13 7.81 830 F 7.81 5.27 0.00 3.02 2.86 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 0.00 0.00 0.00 831 N 9.22 4.78 0.00 2.70 2.80 0.00 0.00 6.66 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 8.94 4.53 0.00 2.08 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 7.98 4.53 0.00 2.33 2.46 0.00 0.00 7.10 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 8.33 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 4.48 0.00 2.69 2.72 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 0.00 0.00 0.00 836 T 8.23 4.64 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 1.24 0.00 0.00 837 Q 8.48 4.09 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 838 V 7.71 3.91 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 0.77 0.00 0.00 0.87 0.00 0.00 839 E 7.81 5.10 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.35 0.00 840 M 9.02 4.81 0.00 2.42 2.31 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.74 0.00 841 S 8.83 4.53 0.00 3.74 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.96 0.00 3.17 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 9.44 5.18 0.00 1.81 1.92 0.00 3.18 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 844 K 8.99 4.06 0.00 1.81 1.84 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 845 G 8.93 4.04 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 0.00 0.00 0.00 846 E 8.00 4.15 0.00 1.87 1.80 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 2.33 2.50 0.00 847 R 8.34 4.72 0.00 1.74 1.75 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 848 I 8.61 4.48 1.49 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.13 0.65 0.00 0.00 849 T 8.64 4.48 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 8.53 4.50 0.00 1.47 1.26 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 851 L 9.06 4.25 0.00 1.72 1.77 1.01 0.80 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 7.69 4.67 0.00 1.91 1.76 0.00 3.20 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 853 Q 8.87 3.96 0.00 1.63 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.14 1.62 0.00 854 V 8.09 4.14 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 0.76 0.00 0.00 0.96 0.00 0.00 855 D 7.28 4.56 0.00 2.87 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 0.00 856 E 8.90 3.88 0.00 2.08 2.13 0.00 0.00 0.00 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 2.29 0.00 857 N 9.04 4.85 0.00 2.86 2.61 0.00 0.00 6.57 7.33 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 0.00 858 W 7.87 5.26 0.00 3.34 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 0.00 859 Y 8.41 4.95 0.00 2.07 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 9.23 5.02 0.00 2.05 1.87 0.00 0.00 0.00 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 2.32 0.00 861 G 9.34 4.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 5.15 0.00 2.06 2.06 0.00 2.76 0.00 0.00 3.21 7.24 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 8.41 4.62 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 1.14 0.99 0.89 0.00 0.00 864 P 0.00 4.38 0.00 2.03 1.99 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 865 G 9.34 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 0.00 866 T 7.34 4.71 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 4.64 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 0.00 868 R 8.07 4.22 0.00 1.93 1.92 0.00 3.19 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 869 Q 7.71 5.01 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 870 G 7.68 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 0.00 0.00 0.00 871 I 7.93 5.14 2.10 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.97 0.92 0.00 0.00 872 F 8.42 5.01 0.00 2.73 3.31 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 0.00 873 P 0.00 3.99 0.00 1.97 1.14 0.00 2.31 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.00 874 I 8.53 3.96 1.84 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.47 1.06 0.00 0.00 875 T 7.87 4.07 4.19 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 1.19 0.00 0.00 876 Y 8.46 4.74 0.00 3.43 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.68 1.96 0.00 0.00 0.00 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 1.14 0.00 0.00 878 D 8.80 4.65 0.00 2.64 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 8.30 4.00 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 0.85 0.00 0.00 1.02 0.00 0.00 880 I 8.59 4.15 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.90 0.87 0.00 0.00 881 K 7.56 4.52 0.00 1.75 1.56 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.45 7.81 882 R 8.66 4.62 0.00 1.78 1.93 0.00 3.35 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 883 P 0.00 4.61 0.00 2.05 2.19 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 884 L 8.72 4.30 0.00 1.85 1.70 0.52 0.80 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