NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 773 K 4.3836 8.2993 120.1083 55.6733 34.5681 175.8327 774 Y 4.7597 7.5599 115.9508 54.2531 42.1282 173.1999 775 E 3.9406 9.5277 120.9318 59.1746 29.8314 180.9282 776 L 3.8431 7.5500 119.0444 57.9299 41.8304 179.2731 777 T 3.8833 7.5541 115.1903 66.5905 68.2273 176.5864 778 L 3.9599 7.4366 121.0337 57.0256 41.6503 178.9106 779 Q 4.1509 8.2086 119.8259 59.4532 28.7983 178.7971 780 R 3.8860 8.1639 118.2120 58.5196 30.1308 178.2360 781 S 4.9642 7.9343 112.0922 58.7966 63.4624 175.6001 782 L 4.2082 7.7983 125.5079 58.3992 41.7529 177.0622 783 P 4.3240 0.0000 0.0000 65.5554 31.1365 178.6257 784 F 4.2066 8.0381 116.2514 60.2874 38.9320 177.7029 785 I 3.8402 8.1585 119.6697 64.4474 36.8463 178.3565 786 E 4.0927 8.6807 119.8938 59.2850 29.3124 179.5872 787 G 3.6165 8.4796 106.2011 47.9733 0.0000 175.0751 788 M 4.0725 8.4654 121.3096 58.6941 32.3097 178.4368 789 L 4.2552 7.9543 120.0925 57.4006 41.4955 179.8541 790 T 3.8918 7.8775 115.4620 66.6821 68.4956 176.3245 791 N 4.5050 8.4998 117.6562 55.6550 38.7812 176.7044 792 L 4.4565 8.2188 117.6861 55.1244 42.9444 177.4371 793 G 3.7185 8.2587 106.9243 43.7638 0.0000 172.0052 794 A 4.4648 8.3162 119.9831 52.8905 18.8923 177.5280 795 M 4.8930 8.7894 120.2432 53.3207 36.8278 175.2447 796 K 4.7277 8.4670 119.8830 55.3616 33.7900 177.5968 797 L 4.0412 9.2362 124.9934 59.1589 41.9217 179.4088 798 H 4.3559 8.3831 114.1142 58.6697 28.4306 177.5171 799 K 4.0193 7.6756 120.7510 59.2395 31.9972 179.1673 800 I 3.8070 8.0147 120.2571 64.5184 36.9973 177.9329 801 H 4.3566 8.4675 118.9968 59.6033 29.9432 177.4915 802 S 4.1732 8.2480 116.9154 61.6400 62.6315 176.5635 803 F 4.3307 8.5081 123.3653 61.2816 39.1167 177.1983 804 L 3.6580 7.9530 119.9981 56.9711 41.0168 179.5411 805 K 4.0736 7.7382 117.8712 58.7888 31.9878 178.3577 806 I 4.0774 6.8524 110.9415 62.0769 38.8182 177.3898 807 T 3.8767 7.3800 111.2157 62.1633 68.9874 175.1067 808 V 2.6044 6.6351 122.1729 60.7120 32.0991 173.7364 809 P 3.8242 0.0000 0.0000 62.9513 31.2787 176.9426 810 K 3.7656 8.7105 121.7017 59.7892 32.1590 178.7273 811 D 4.3722 7.8312 116.9453 56.7728 40.8226 177.1342 812 W 4.7783 8.1555 117.1877 57.0320 30.5006 177.1253 813 G 4.0529 7.4778 106.6750 45.6080 0.0000 174.0976 814 Y 3.8708 8.9865 123.7119 57.4015 37.9464 170.3195 815 N 4.2990 8.0014 115.2888 55.8371 38.6723 175.7432 816 R 4.2138 7.6613 114.6357 56.6175 30.8843 176.5998 817 I 3.9479 7.2304 120.2622 61.1077 37.7758 176.1842 818 T 4.4379 8.5637 119.2286 60.5412 70.1173 175.7636 819 L 3.8651 8.1707 124.8811 58.6292 40.4686 179.2142 820 Q 4.2383 7.9831 118.0594 58.9152 28.8342 178.2033 821 Q 4.0257 7.8558 119.9345 58.5528 28.7968 178.0275 822 L 4.0551 7.9941 121.5029 58.0685 42.2294 178.4103 823 E 4.0185 8.7117 119.8983 59.4440 29.6416 179.0368 824 G 3.6960 8.1898 105.5653 47.9086 0.0000 175.0017 825 Y 4.2162 7.9834 121.7241 60.6301 38.8783 178.0471 826 L 3.7538 8.3034 120.2916 57.9002 41.5637 179.3940 827 N 4.4919 8.3236 116.3669 56.4485 38.4132 177.6976 828 T 3.8820 7.8110 117.1608 66.6208 68.3448 176.7966 829 L 3.8739 7.8210 120.6758 57.4834 41.3099 179.4863 830 A 4.6974 7.8068 121.5412 54.8186 18.4421 178.9338 831 D 4.4807 8.2681 116.7479 59.0405 41.3694 178.2067 832 E 4.4785 8.3663 117.6014 55.8810 32.2270 177.6127 833 G 4.0921 8.1672 112.3206 46.1931 0.0000 174.4274 834 R 4.1181 7.9778 123.0994 58.3890 31.4099 176.1755 835 L 5.3231 8.0187 117.0024 52.6097 46.5766 175.5540 836 K 4.4533 9.1101 122.3186 55.9639 34.4659 174.6513 837 Y 3.8635 9.0920 128.6829 57.3138 39.0833 176.6749 838 I 3.2324 9.2538 125.3346 61.8368 35.9457 172.2926 839 A 3.8220 7.7533 127.5233 52.6315 19.2770 176.9882 840 N 4.6077 8.3156 117.2711 52.2729 36.6756 175.0234 841 G 4.5687 7.3824 107.5531 45.5945 0.0000 173.0124 842 S 4.9412 6.9756 113.4310 56.2372 66.3485 172.6796 843 Y 5.0278 9.0748 118.4643 55.4104 40.6245 174.4937 844 E 4.9527 9.2303 124.9246 54.2228 32.9737 174.6895 845 I 4.3120 8.3319 125.5572 60.6244 39.3273 175.6018 846 V 3.9925 8.0245 126.6843 63.0896 30.9862 175.5148 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 4.38 0.00 1.26 1.68 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.39 7.81 774 Y 7.56 4.76 0.00 3.17 2.91 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 0.00 0.00 0.00 0.00 775 E 9.53 3.94 0.00 2.03 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 0.00 2.42 2.44 0.00 776 L 7.55 3.84 0.00 1.07 1.39 0.66 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 777 T 7.55 3.88 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 1.43 0.00 0.00 778 L 7.44 3.96 0.00 1.18 0.13 0.77 0.69 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 0.00 779 Q 8.21 4.15 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 780 R 8.16 3.89 0.00 1.87 1.84 0.00 2.84 0.00 0.00 2.51 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.33 0.00 781 S 7.93 4.96 0.00 4.15 4.25 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.21 0.00 2.01 1.82 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 783 P 0.00 4.32 0.00 1.69 1.88 0.00 3.82 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 2.06 2.14 0.00 784 F 8.04 4.21 0.00 3.28 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 0.00 785 I 8.16 3.84 2.16 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.93 0.97 0.00 0.00 786 E 8.68 4.09 0.00 2.14 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 2.60 0.00 787 G 8.48 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 788 M 8.47 4.07 0.00 2.37 2.47 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 789 L 7.95 4.26 0.00 1.78 1.73 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 790 T 7.88 3.89 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 1.21 0.00 0.00 791 N 8.50 4.50 0.00 2.65 2.87 0.00 0.00 7.01 7.71 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 0.00 792 L 8.22 4.46 0.00 1.48 1.61 0.59 0.98 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 0.00 793 G 8.26 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 8.32 4.46 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 8.79 4.89 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.43 0.00 796 K 8.47 4.73 0.00 1.68 1.80 0.00 2.05 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.72 1.28 7.81 797 L 9.24 4.04 0.00 1.97 1.88 1.00 0.95 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 0.00 798 H 8.38 4.36 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 7.68 4.02 0.00 1.87 1.85 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.18 1.39 7.81 800 I 8.01 3.81 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.05 0.99 0.00 0.00 801 H 8.47 4.36 0.00 3.48 3.61 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 8.25 4.17 0.00 4.02 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 8.51 4.33 0.00 3.20 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 0.00 804 L 7.95 3.66 0.00 1.38 0.13 1.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 805 K 7.74 4.07 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.72 7.81 806 I 6.85 4.08 1.73 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 1.54 0.18 0.86 0.00 0.00 807 T 7.38 3.88 3.89 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 0.00 0.00 0.00 -0.00 0.00 0.00 808 V 6.64 2.60 1.89 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 0.80 0.00 0.00 0.46 0.00 0.00 809 P 0.00 3.82 0.00 1.26 1.48 0.00 2.82 0.00 0.00 3.07 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 8.71 3.77 0.00 1.74 1.88 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.39 7.81 811 D 7.83 4.37 0.00 2.63 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 0.00 812 W 8.16 4.78 0.00 3.46 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 0.00 813 G 7.48 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 8.99 3.87 0.00 3.26 3.37 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 0.00 815 N 8.00 4.30 0.00 2.73 2.88 0.00 0.00 6.88 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 7.66 4.21 0.00 1.68 1.84 0.00 3.16 0.00 0.00 3.14 7.32 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 7.23 3.95 0.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.24 0.67 0.00 0.00 818 T 8.56 4.44 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 1.30 0.00 0.00 819 L 8.17 3.87 0.00 1.88 1.68 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 820 Q 7.98 4.24 0.00 2.31 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 821 Q 7.86 4.03 0.00 2.23 2.17 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 2.43 2.38 0.00 822 L 7.99 4.06 0.00 1.93 1.88 1.14 1.03 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 0.00 823 E 8.71 4.02 0.00 2.15 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 2.36 2.44 0.00 824 G 8.19 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 0.00 0.00 0.00 825 Y 7.98 4.22 0.00 3.18 3.20 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 0.00 826 L 8.30 3.75 0.00 1.42 0.83 0.41 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 827 N 8.32 4.49 0.00 2.94 2.88 0.00 0.00 7.01 6.39 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 0.00 828 T 7.81 3.88 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 1.19 0.00 0.00 829 L 7.82 3.87 0.00 1.70 1.59 0.56 0.33 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 0.00 830 A 7.81 4.70 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 4.48 0.00 2.85 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 8.37 4.48 0.00 2.07 1.92 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 2.33 2.51 0.00 833 G 8.17 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 834 R 7.98 4.12 0.00 1.89 2.07 0.00 3.06 0.00 0.00 3.32 7.17 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 8.02 5.32 0.00 1.68 1.64 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 836 K 9.11 4.45 0.00 1.76 1.64 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.35 7.81 837 Y 9.09 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 9.25 3.23 1.68 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 0.22 0.71 0.00 0.00 839 A 7.75 3.82 1.22 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 0.00 840 N 8.32 4.61 0.00 2.78 3.12 0.00 0.00 7.11 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 7.38 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 842 S 6.98 4.94 0.00 3.84 3.71 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 0.00 843 Y 9.07 5.03 0.00 2.96 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 9.23 4.95 0.00 1.95 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 845 I 8.33 4.31 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 8.02 3.99 2.25 0.00 0.00 0.00 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 1.02 0.00 0.00