NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 773 K 4.3529 8.2993 120.1096 55.7296 34.5000 175.7600 774 Y 4.6722 7.5636 116.2235 54.5628 41.8096 173.1796 775 E 3.9116 9.4264 120.2998 59.2037 29.8327 180.7142 776 L 3.6806 7.6250 118.8307 57.9443 41.5480 179.4603 777 T 3.8544 7.5339 115.1587 66.6462 68.2799 176.6119 778 L 4.0048 7.3329 120.7003 57.0732 41.6175 179.0336 779 Q 4.2314 8.5232 122.1020 58.7778 28.8128 178.5442 780 R 3.9426 8.2010 118.3635 58.1509 29.9363 178.0218 781 S 5.0634 7.7332 112.3943 58.2044 63.4744 175.4723 782 L 4.1909 7.6993 125.7913 58.4304 41.7453 177.0861 783 P 4.2184 0.0000 0.0000 65.5235 31.1660 178.5289 784 F 4.1337 8.1217 116.1460 60.0613 38.9550 177.8832 785 I 3.8199 8.0417 119.7238 64.3910 36.8860 178.2240 786 E 4.0693 8.6662 119.9267 59.4219 29.3628 179.6317 787 G 3.6315 8.3057 105.9143 47.9387 0.0000 175.0918 788 M 4.1322 8.3282 120.7952 58.7576 32.3758 178.4993 789 L 4.2245 8.0489 118.7212 57.8118 41.4801 179.8225 790 T 3.9202 7.8492 115.5444 66.6494 68.5234 176.3808 791 N 4.5113 8.5893 117.6024 55.6795 38.7802 176.7138 792 L 4.4532 8.2882 117.8254 55.1303 42.8903 177.4314 793 G 3.7231 8.1090 106.0702 43.7693 0.0000 172.5154 794 A 4.4041 8.3144 119.9926 52.8498 18.8505 177.5038 795 M 4.8921 8.9566 120.3144 53.3532 36.8026 175.1772 796 K 4.7770 8.4381 119.7212 55.1873 33.9037 177.5431 797 L 4.0384 9.2119 125.0321 59.1844 41.9415 179.4697 798 H 4.3681 8.3917 114.0247 58.5617 28.3708 177.4791 799 K 4.0352 7.7344 120.9098 59.1292 31.9275 179.1370 800 I 3.7794 7.9857 120.2563 64.5841 37.1457 177.8589 801 H 4.3515 8.4619 118.9758 59.5773 29.5385 177.4186 802 S 4.1772 8.2720 116.8509 61.6534 62.6507 176.5456 803 F 4.2979 8.6051 123.5385 61.3761 39.1453 177.1451 804 L 3.5815 8.2603 118.9311 57.5147 40.9947 179.4695 805 K 4.0656 7.7276 117.7325 59.1188 32.0440 178.4508 806 I 4.0347 6.9970 111.4535 62.4668 38.3493 177.4982 807 T 3.8339 7.2736 110.5384 62.2403 69.2634 175.5993 808 V 2.6205 6.6501 122.1182 60.7582 32.1672 173.7728 809 P 3.8444 0.0000 0.0000 62.8419 31.3419 177.0180 810 K 3.7795 8.6782 121.4073 59.8224 32.1479 178.7438 811 D 4.3854 7.8243 116.9362 56.6738 40.8466 177.0496 812 W 4.7914 8.1440 117.1970 56.8342 30.4927 177.3779 813 G 4.0487 7.5219 107.2393 46.1537 0.0000 173.7699 814 Y 3.9148 8.9843 122.9415 57.4567 37.8078 170.3545 815 N 4.2710 7.9776 115.2615 55.8731 38.6825 175.8163 816 R 4.1756 7.6470 114.8388 56.9234 30.8575 176.7173 817 I 3.9206 7.1587 120.0601 61.1660 37.7749 176.2744 818 T 4.4063 8.6627 119.4566 60.6416 69.9704 175.7201 819 L 3.9129 8.1669 124.3476 58.3871 40.5289 179.0828 820 Q 4.0317 7.9863 118.2819 58.9385 28.8251 178.1626 821 Q 4.0176 7.9568 119.9211 58.5693 28.8370 178.0053 822 L 4.0893 7.8959 121.3273 58.2067 42.2322 178.5772 823 E 4.0897 8.6351 119.8034 59.2707 29.6541 179.0473 824 G 3.6601 8.2013 105.8367 47.8947 0.0000 175.1272 825 Y 4.2473 8.1481 121.9908 60.5617 38.7923 178.0167 826 L 3.8491 8.3938 120.3486 57.7837 41.5444 179.3165 827 N 4.5013 8.3312 116.4989 56.4347 38.4217 177.6883 828 T 3.8931 7.7183 117.0907 66.5883 68.4095 176.7794 829 L 3.8748 7.8425 120.7185 57.6296 41.3511 179.4497 830 A 4.6023 7.9938 121.6070 54.7821 18.3907 179.0828 831 D 4.4623 8.2696 117.1123 58.8962 41.3357 177.9440 832 E 4.5084 8.3833 118.0822 55.7537 32.4149 177.6481 833 G 4.1226 8.1896 112.5478 46.2343 0.0000 174.4684 834 R 4.1157 8.0572 123.2402 58.2976 31.3216 176.1069 835 L 5.2997 7.9864 117.2277 52.5904 46.3616 175.5947 836 K 4.4395 9.0627 122.0898 56.1181 33.9785 174.8235 837 Y 3.8570 9.1155 128.3534 57.9165 39.1967 177.0273 838 I 3.2043 9.5355 126.5780 61.9672 35.8491 172.0347 839 A 3.8696 7.6559 127.2838 52.0929 19.5552 177.2143 840 N 4.5717 8.3847 117.7273 52.2113 36.5555 175.2234 841 G 4.7637 7.6094 107.2766 45.4564 0.0000 172.9633 842 S 4.9800 6.9967 113.5703 56.3232 65.9493 172.8479 843 Y 5.0044 9.0019 119.2264 55.5997 40.3917 174.4442 844 E 5.0482 9.0818 124.1466 54.2332 33.3066 174.6109 845 I 4.3344 8.3412 124.9566 60.5739 39.3710 175.6280 846 V 4.0024 8.1445 126.9792 63.0728 30.9864 175.5074 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 773 K 8.30 4.35 0.00 1.25 1.68 0.00 1.53 0.00 0.00 1.45 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.37 7.81 774 Y 7.56 4.67 0.00 3.14 2.98 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 0.00 775 E 9.43 3.91 0.00 2.02 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 2.40 2.43 0.00 776 L 7.62 3.68 0.00 1.11 1.41 0.67 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 777 T 7.53 3.85 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 778 L 7.33 4.00 0.00 1.17 0.15 0.75 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 779 Q 8.52 4.23 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 780 R 8.20 3.94 0.00 1.99 1.92 0.00 2.85 0.00 0.00 2.53 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.32 0.00 781 S 7.73 5.06 0.00 4.07 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 0.00 782 L 7.70 4.19 0.00 2.02 1.82 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 783 P 0.00 4.22 0.00 1.74 1.89 0.00 3.84 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 2.08 2.15 0.00 784 F 8.12 4.13 0.00 3.24 3.07 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 0.00 785 I 8.04 3.82 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.85 0.96 0.00 0.00 786 E 8.67 4.07 0.00 2.12 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 2.35 2.61 0.00 787 G 8.31 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 788 M 8.33 4.13 0.00 2.40 2.50 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.62 0.00 789 L 8.05 4.22 0.00 1.79 1.74 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 790 T 7.85 3.92 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 791 N 8.59 4.51 0.00 2.66 2.88 0.00 0.00 7.02 7.85 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 0.00 792 L 8.29 4.45 0.00 1.57 1.61 0.56 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 793 G 8.11 3.72 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 0.00 0.00 0.00 794 A 8.31 4.40 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 0.00 795 M 8.96 4.89 0.00 1.94 1.94 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 2.70 2.42 0.00 796 K 8.44 4.78 0.00 1.66 1.80 0.00 2.06 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.28 7.81 797 L 9.21 4.04 0.00 1.96 1.88 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 798 H 8.39 4.37 0.00 3.47 3.61 0.00 5.51 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 799 K 7.73 4.04 0.00 1.85 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.21 1.38 7.81 800 I 7.99 3.78 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.97 0.98 0.00 0.00 801 H 8.46 4.35 0.00 3.47 3.60 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 802 S 8.27 4.18 0.00 4.14 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 0.00 803 F 8.61 4.30 0.00 3.13 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 0.00 804 L 8.26 3.58 0.00 1.34 0.13 1.00 0.86 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 0.00 805 K 7.73 4.07 0.00 1.99 1.91 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.76 7.81 806 I 7.00 4.03 1.76 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.23 0.88 0.00 0.00 807 T 7.27 3.83 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 -0.03 0.00 0.00 808 V 6.65 2.62 1.90 0.00 0.00 0.00 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 0.46 0.00 0.00 809 P 0.00 3.84 0.00 1.29 1.47 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 810 K 8.68 3.78 0.00 1.74 1.88 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.39 7.81 811 D 7.82 4.39 0.00 2.68 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 0.00 812 W 8.14 4.79 0.00 3.45 3.15 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 0.00 813 G 7.52 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 814 Y 8.98 3.91 0.00 3.25 3.41 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 0.00 815 N 7.98 4.27 0.00 2.72 2.87 0.00 0.00 6.89 7.66 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 0.00 816 R 7.65 4.18 0.00 1.69 1.84 0.00 3.16 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 817 I 7.16 3.92 0.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.23 0.76 0.00 0.00 818 T 8.66 4.41 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 1.29 0.00 0.00 819 L 8.17 3.91 0.00 1.90 1.70 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 820 Q 7.99 4.03 0.00 2.31 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 821 Q 7.96 4.02 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 822 L 7.90 4.09 0.00 1.95 1.87 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 823 E 8.64 4.09 0.00 2.17 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 2.37 2.46 0.00 824 G 8.20 3.66 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 0.00 0.00 0.00 825 Y 8.15 4.25 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 0.00 826 L 8.39 3.85 0.00 1.23 0.82 0.41 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 827 N 8.33 4.50 0.00 2.96 2.89 0.00 0.00 6.99 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 828 T 7.72 3.89 4.33 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 1.24 0.00 0.00 829 L 7.84 3.87 0.00 1.71 1.60 0.63 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 830 A 7.99 4.60 1.52 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 0.00 831 D 8.27 4.46 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 4.51 0.00 2.07 1.93 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 2.34 2.50 0.00 833 G 8.19 4.12 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 0.00 0.00 0.00 834 R 8.06 4.12 0.00 1.89 2.03 0.00 3.06 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 835 L 7.99 5.30 0.00 1.67 1.66 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 836 K 9.06 4.44 0.00 1.76 1.64 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.35 7.81 837 Y 9.12 3.86 0.00 3.01 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 0.00 838 I 9.54 3.20 1.69 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 1.24 0.45 0.72 0.00 0.00 839 A 7.66 3.87 1.23 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 0.00 0.00 0.00 840 N 8.38 4.57 0.00 2.79 3.13 0.00 0.00 7.14 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 0.00 841 G 7.61 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.00 4.98 0.00 3.72 3.72 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 0.00 843 Y 9.00 5.00 0.00 2.98 2.96 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 0.00 0.00 0.00 0.00 844 E 9.08 5.05 0.00 1.96 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 2.20 0.00 845 I 8.34 4.33 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.96 0.92 0.00 0.00 846 V 8.14 4.00 2.28 0.00 0.00 0.00 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 1.00 0.00 0.00