NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4509 8.2233 120.1276 54.4700 43.3181 177.1551 2 Y 4.4473 6.8034 117.9362 60.2712 37.6014 177.5556 3 L 4.0654 8.6955 120.7278 57.7286 42.2149 178.8631 4 R 3.9382 8.0876 117.5743 59.5866 29.6649 178.7430 5 E 4.0596 8.4529 118.0243 58.6404 29.4137 178.9801 6 L 4.7146 7.9404 117.0864 54.1379 43.3710 176.8850 7 L 4.6796 7.8479 119.6303 55.6862 46.6939 177.9149 8 K 3.9385 8.1819 118.3935 59.7151 32.1437 178.8561 9 L 4.0988 7.5580 116.9798 57.0600 41.6928 179.1490 10 E 4.1454 8.1518 118.7671 59.2458 29.5541 178.5696 11 L 3.9764 8.1614 120.9542 58.3552 42.1774 178.7881 12 Q 4.0335 7.8503 117.4953 59.4863 28.0188 179.2521 13 L 3.8863 8.1481 120.8024 57.8777 41.8983 179.2835 14 I 3.8148 7.9693 119.2567 64.2883 36.9758 178.0897 15 K 3.9387 8.2862 120.3550 59.9578 32.0821 178.9992 16 Q 4.0498 8.5031 118.5113 58.9799 28.3462 178.2816 17 Y 4.3556 8.7512 117.9642 61.1836 38.1796 178.6648 18 R 4.1204 8.0083 118.5079 59.1793 30.0122 178.3589 19 E 4.0506 8.1794 117.7838 59.0688 28.4474 178.1028 20 A 4.7554 8.2644 119.2485 52.2980 19.4976 178.4706 21 L 4.0404 7.9586 122.8689 59.3251 42.1791 178.6440 22 E 3.9408 8.0130 117.6839 59.6496 29.6478 178.0820 23 Y 4.1612 7.9924 115.3479 60.6698 38.2773 177.3816 24 V 3.8774 7.4659 116.3402 62.8216 32.0230 176.8937 25 K 3.9473 8.2178 116.9552 57.0329 30.1921 174.8730 26 L 4.6216 7.2668 119.7836 52.2980 42.4315 175.7723 27 P 4.2726 0.0000 0.0000 65.5659 31.0040 178.2002 28 V 3.5203 7.9835 117.8923 66.2149 31.0928 177.7801 29 L 3.9063 8.0830 117.9772 57.8985 41.4754 179.3983 30 A 3.9076 7.9160 120.1210 54.8645 18.2375 179.4908 31 K 3.8253 8.2409 118.5342 59.5664 32.2377 178.9921 32 I 3.6189 8.2043 120.6508 64.4719 37.1177 178.4809 33 L 3.5536 7.8876 120.7489 58.2804 40.2080 178.7037 34 E 3.8084 8.2632 120.5875 59.1876 29.5551 178.1859 35 D 4.2669 7.7629 117.4662 57.5162 41.2464 177.8849 36 E 4.0397 8.2912 119.0914 59.5392 29.4600 178.7782 37 E 3.9287 8.6286 119.4721 59.3653 29.6236 178.8549 38 K 3.9082 7.9309 119.0550 59.9629 32.0344 178.1787 39 H 4.2433 8.2567 116.3989 59.2976 28.6420 177.8691 40 I 3.9923 8.3573 121.8309 64.2038 36.8989 177.8911 41 E 4.0769 8.6300 120.7711 59.0468 29.3479 178.4443 42 W 4.0169 8.3526 128.3156 60.6846 30.4557 177.9609 43 L 3.9423 7.3877 117.5263 57.7104 41.2358 179.0613 44 E 4.1027 8.0025 115.5921 58.3186 29.7049 177.7667 45 T 4.1339 7.2712 112.5316 61.8590 69.5931 173.9301 46 I 2.2904 7.4460 119.3947 61.4426 37.0503 174.4167 47 L 3.9755 7.6475 122.9443 56.0239 42.6752 176.3945 48 G 3.8419 7.7967 110.4579 46.4795 0.0000 171.8998 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 1 D 8.22 4.45 0.00 2.55 2.23 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 2 Y 6.80 4.45 0.00 3.11 3.03 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 3 L 8.70 4.07 0.00 1.69 1.72 0.92 0.99 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 4 R 8.09 3.94 0.00 1.97 2.00 0.00 3.27 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 5 E 8.45 4.06 0.00 2.28 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 2.36 2.53 0.00 6 L 7.94 4.71 0.00 1.77 1.74 1.00 1.15 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 7 L 7.85 4.68 0.00 1.65 1.69 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.18 3.94 0.00 1.89 1.85 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.54 7.81 9 L 7.56 4.10 0.00 1.88 1.73 0.98 1.47 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 10 E 8.15 4.15 0.00 2.24 2.06 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 2.41 2.49 0.00 11 L 8.16 3.98 0.00 1.88 1.85 0.95 0.76 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 12 Q 7.85 4.03 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.60 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 13 L 8.15 3.89 0.00 1.92 1.72 0.92 1.02 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 14 I 7.97 3.81 2.07 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.84 0.95 0.00 0.00 15 K 8.29 3.94 0.00 2.12 1.93 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 16 Q 8.50 4.05 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 17 Y 8.75 4.36 0.00 3.17 2.74 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 0.00 0.00 0.00 18 R 8.01 4.12 0.00 2.10 2.02 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 19 E 8.18 4.05 0.00 2.01 2.20 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 2.40 2.43 0.00 20 A 8.26 4.76 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 21 L 7.96 4.04 0.00 2.02 1.90 0.98 0.79 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 22 E 8.01 3.94 0.00 1.86 1.85 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 2.30 2.30 0.00 23 Y 7.99 4.16 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.47 3.88 2.34 0.00 0.00 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 1.02 0.00 0.00 25 K 8.22 3.95 0.00 1.96 1.89 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.54 7.81 26 L 7.27 4.62 0.00 1.84 1.61 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.27 0.00 2.25 2.31 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 28 V 7.98 3.52 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 1.15 0.00 0.00 0.93 0.00 0.00 29 L 8.08 3.91 0.00 2.01 1.76 0.98 0.94 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 30 A 7.92 3.91 1.29 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 0.00 0.00 0.00 0.00 0.00 31 K 8.24 3.83 0.00 1.98 1.86 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.50 7.81 32 I 8.20 3.62 1.94 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 1.57 0.51 0.76 0.00 0.00 33 L 7.89 3.55 0.00 1.32 1.11 0.85 0.67 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 34 E 8.26 3.81 0.00 2.17 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 0.00 2.29 2.30 0.00 35 D 7.76 4.27 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 36 E 8.29 4.04 0.00 2.16 2.08 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 2.40 2.47 0.00 37 E 8.63 3.93 0.00 2.17 2.02 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 2.34 2.49 0.00 38 K 7.93 3.91 0.00 1.87 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 39 H 8.26 4.24 0.00 3.46 3.40 0.00 5.67 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 40 I 8.36 3.99 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.97 0.00 0.00 41 E 8.63 4.08 0.00 2.19 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 0.00 2.31 2.41 0.00 42 W 8.35 4.02 0.00 3.55 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.39 3.94 0.00 1.88 1.78 1.24 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.00 4.10 0.00 2.13 2.08 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 2.51 2.28 0.00 45 T 7.27 4.13 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 1.16 0.00 0.00 46 I 7.45 2.29 1.61 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 0.99 0.49 0.77 0.00 0.00 47 L 7.65 3.98 0.00 1.52 1.61 0.89 1.08 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 48 G 7.80 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 0.00 0.00 0.00