NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 769 N 4.6955 8.4249 119.2047 53.5908 40.3352 174.2337 770 L 4.2649 8.1123 120.7967 55.2957 42.4749 175.9322 771 E 3.8370 8.6007 119.7368 59.1838 30.1061 177.7073 772 E 3.8744 8.2135 119.0328 59.8455 29.5223 178.6453 773 M 4.0041 8.0361 117.6176 58.6041 32.0197 178.4041 774 R 3.9055 7.8457 117.8933 59.7721 30.3183 178.5530 775 D 4.3618 8.4919 118.4989 57.4670 40.8697 178.7200 776 E 3.8587 8.7627 119.7913 59.3000 29.6627 178.7974 777 R 3.8398 8.1000 118.6229 59.4957 30.1952 178.0191 778 L 3.9074 8.1660 120.3426 58.3776 41.9341 179.0328 779 S 4.0876 7.9984 113.0175 61.0170 62.2856 175.9815 780 K 3.9396 8.0750 122.3769 59.5522 31.8917 178.7477 781 I 3.7157 7.9117 120.0591 64.6227 37.0215 178.3728 782 I 3.7855 7.9210 120.5379 64.6678 36.8445 178.7174 783 S 5.0186 8.1674 117.1808 61.4703 62.6733 176.5721 784 M 4.0384 8.3507 121.5945 58.4853 31.7351 178.6404 785 F 4.3195 8.5979 121.0116 61.3796 39.4385 177.2675 786 Q 3.9051 8.6336 118.1225 58.5133 28.4858 178.1425 787 A 3.9533 8.5462 122.4551 55.6511 18.3942 179.4529 788 H 4.0422 8.1646 114.4673 58.9534 28.6909 178.0901 789 I 3.5334 7.4480 121.5538 64.4548 36.8938 178.7065 790 R 4.0203 8.3150 119.3141 59.2382 29.8832 179.4365 791 G 3.5825 8.1495 105.5995 47.5916 0.0000 175.0613 792 Y 3.9305 8.1204 121.8007 60.6319 38.9631 178.2632 793 L 4.1568 8.3324 119.7318 57.9431 41.5965 179.5398 794 I 3.7349 7.6432 118.1787 64.7081 37.3193 178.4559 795 R 4.0167 8.0353 118.6964 58.9660 29.6009 178.8733 796 K 3.7972 8.2009 118.8934 59.3384 32.5795 177.8517 797 A 4.3673 7.9211 118.3180 52.7808 18.7938 178.4742 798 Y 3.9900 7.8319 119.2973 60.3537 38.8713 177.7438 799 K 3.9429 8.1189 120.1050 59.5411 32.3599 178.4109 800 K 3.8604 8.0366 119.2398 59.4635 31.9718 178.5625 801 L 3.9438 7.6588 119.2136 57.6958 41.3753 179.3634 802 Q 3.7936 7.7084 117.9569 59.1165 28.5680 178.7560 803 D 4.3258 8.1749 119.9012 57.4002 40.8474 178.8896 804 Q 3.9530 8.5242 119.1262 58.6453 28.6346 178.5935 805 R 3.8677 8.1348 120.0690 59.4068 30.0535 178.6929 806 I 3.7420 7.5701 119.7459 64.2194 37.1504 178.4213 807 G 3.6843 8.1584 106.7022 48.0091 0.0000 175.4259 808 L 3.9983 8.4052 123.5909 57.6915 42.0796 179.0927 809 S 4.0912 8.0542 115.2744 61.5176 62.7614 176.8937 810 V 3.5717 7.8746 120.9144 65.9458 31.2146 178.1567 811 I 3.6730 7.7706 119.4191 64.6152 37.0264 178.4690 812 Q 3.9849 8.2140 118.9026 58.8153 28.4858 178.8776 813 R 3.8398 8.0208 119.6056 59.7320 30.2303 178.4564 814 N 4.3765 8.2308 116.1807 56.2802 38.6322 177.5760 815 I 3.9679 8.1256 121.5968 64.5387 37.2273 178.7251 816 R 3.9748 8.1827 119.0325 58.8059 29.7505 178.9929 817 K 3.7595 8.1433 119.6088 59.1875 32.1267 178.4314 818 W 4.2063 8.2361 128.5593 60.8003 30.3741 177.9610 819 L 3.2936 7.4466 116.7952 57.1693 41.1708 179.4787 820 V 3.6318 7.4111 118.3227 65.6910 31.4790 178.0478 821 L 3.8286 7.8292 119.2595 57.7191 41.1977 179.6154 822 R 4.1750 7.2841 114.0182 58.4296 29.1167 176.7984 823 N 4.8636 7.6636 114.9929 52.6151 39.5349 174.4477 824 W 4.9517 8.8072 130.3405 56.4823 32.4498 176.8642 825 Q 3.8914 8.6093 125.4584 58.8901 28.2420 178.7490 826 W 4.0242 6.8437 119.3441 59.3667 28.8700 178.2385 827 W 4.1546 7.7738 127.7992 60.1951 30.3622 178.1366 828 K 3.9989 8.3552 118.5142 59.4802 31.5829 178.6678 829 L 3.8020 8.3648 120.7425 58.5985 41.9926 178.0970 830 Y 3.8809 8.5109 119.3015 61.0174 38.3506 178.4438 831 A 4.0134 7.7103 120.5632 55.0061 18.5382 179.4861 832 K 4.0555 7.8231 116.2839 59.2859 32.4005 179.4254 833 V 3.6559 7.6832 118.6954 65.2554 31.4622 177.7998 834 K 3.6361 7.8458 119.6423 59.1673 31.7462 176.9696 835 P 4.3421 0.0000 0.0000 64.7197 31.3402 177.4852 836 L 4.3943 7.4559 115.8525 54.6487 41.8167 176.6530 837 L 4.1570 7.6016 124.8981 54.9547 41.6697 176.5533 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 769 N 8.42 4.70 0.00 2.70 2.79 0.00 0.00 6.95 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 770 L 8.11 4.26 0.00 1.76 1.68 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 771 E 8.60 3.84 0.00 2.05 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 2.30 2.31 0.00 772 E 8.21 3.87 0.00 2.06 1.97 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 2.39 2.45 0.00 773 M 8.04 4.00 0.00 2.06 2.25 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 2.71 2.66 0.00 774 R 7.85 3.91 0.00 2.00 1.99 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.00 0.00 775 D 8.49 4.36 0.00 2.83 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 0.00 776 E 8.76 3.86 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 777 R 8.10 3.84 0.00 1.92 1.91 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 778 L 8.17 3.91 0.00 1.84 1.83 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 779 S 8.00 4.09 0.00 4.06 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 0.00 780 K 8.07 3.94 0.00 1.89 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.50 7.81 781 I 7.91 3.72 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 1.54 0.71 0.91 0.00 0.00 782 I 7.92 3.79 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.96 1.03 0.00 0.00 783 S 8.17 5.02 0.00 4.04 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 0.00 784 M 8.35 4.04 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.58 0.00 785 F 8.60 4.32 0.00 3.09 3.26 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 0.00 786 Q 8.63 3.91 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 787 A 8.55 3.95 1.38 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 0.00 0.00 788 H 8.16 4.04 0.00 3.24 3.18 0.00 5.82 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 0.00 789 I 7.45 3.53 1.81 0.00 0.00 0.64 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 -0.04 0.78 0.00 0.00 790 R 8.31 4.02 0.00 1.94 1.97 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 791 G 8.15 3.58 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 0.00 0.00 0.00 0.00 792 Y 8.12 3.93 0.00 3.15 3.10 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 0.00 0.00 0.00 0.00 793 L 8.33 4.16 0.00 1.78 1.76 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 794 I 7.64 3.73 1.93 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 1.80 0.75 0.94 0.00 0.00 795 R 8.04 4.02 0.00 1.83 1.86 0.00 3.03 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 796 K 8.20 3.80 0.00 1.73 2.09 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.55 7.81 797 A 7.92 4.37 1.42 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 0.00 0.00 798 Y 7.83 3.99 0.00 3.02 3.06 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 0.00 799 K 8.12 3.94 0.00 1.94 1.80 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.54 7.81 800 K 8.04 3.86 0.00 1.84 1.93 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.52 7.81 801 L 7.66 3.94 0.00 1.76 1.50 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 802 Q 7.71 3.79 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.02 1.72 0.00 803 D 8.17 4.33 0.00 2.78 2.67 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 0.00 804 Q 8.52 3.95 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 805 R 8.13 3.87 0.00 1.88 2.07 0.00 3.04 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 806 I 7.57 3.74 1.96 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 1.43 0.47 0.89 0.00 0.00 807 G 8.16 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 808 L 8.41 4.00 0.00 1.70 1.65 0.91 1.02 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 0.00 809 S 8.05 4.09 0.00 4.17 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 0.00 810 V 7.87 3.57 2.22 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 1.01 0.00 0.00 0.97 0.00 0.00 811 I 7.77 3.67 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.47 0.90 0.00 0.00 812 Q 8.21 3.98 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 813 R 8.02 3.84 0.00 2.01 2.07 0.00 3.06 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 814 N 8.23 4.38 0.00 2.90 2.84 0.00 0.00 7.13 6.77 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 0.00 815 I 8.13 3.97 2.01 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 1.53 1.24 1.17 0.00 0.00 816 R 8.18 3.97 0.00 2.13 1.94 0.00 3.12 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 817 K 8.14 3.76 0.00 1.94 1.91 0.00 1.45 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.29 7.81 818 W 8.24 4.21 0.00 3.34 3.45 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 0.00 819 L 7.45 3.29 0.00 1.49 1.42 0.85 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 820 V 7.41 3.63 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 0.82 0.00 0.00 0.84 0.00 0.00 821 L 7.83 3.83 0.00 1.18 0.38 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 822 R 7.28 4.18 0.00 1.91 2.04 0.00 2.59 0.00 0.00 2.84 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 823 N 7.66 4.86 0.00 2.80 2.87 0.00 0.00 6.87 7.84 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 0.00 824 W 8.81 4.95 0.00 3.47 3.35 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 0.00 0.00 0.00 825 Q 8.61 3.89 0.00 1.81 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 826 W 6.84 4.02 0.00 1.78 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.77 4.15 0.00 3.90 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 0.00 828 K 8.36 4.00 0.00 2.10 1.85 0.00 2.04 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.58 7.81 829 L 8.36 3.80 0.00 1.59 1.79 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 830 Y 8.51 3.88 0.00 3.17 2.81 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 0.00 0.00 0.00 831 A 7.71 4.01 1.38 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 0.00 0.00 832 K 7.82 4.06 0.00 1.86 1.84 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.58 7.81 833 V 7.68 3.66 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.89 0.00 0.00 834 K 7.85 3.64 0.00 1.92 1.74 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.29 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.47 7.81 835 P 0.00 4.34 0.00 2.03 2.08 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 836 L 7.46 4.39 0.00 1.63 1.65 0.87 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 837 L 7.60 4.16 0.00 1.72 1.52 0.75 0.67 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