NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3667 8.3193 115.2899 58.2443 62.2633 172.9029 2 S 4.5642 8.0996 121.4366 54.7363 63.5269 172.5049 3 L 4.2120 9.2891 128.5659 56.9593 43.2322 177.7402 4 L 4.9578 7.3214 116.6433 52.5468 45.2087 176.1594 5 E 3.9188 8.9366 115.8472 60.2126 29.1157 178.5483 6 K 4.3941 8.0379 115.6859 56.2071 32.1610 177.5102 7 G 3.8778 8.3122 109.2180 45.9006 0.0000 174.2282 8 L 4.5033 7.3766 120.5393 54.0791 42.4577 177.3363 9 D 4.5522 8.6325 120.7909 56.8587 41.3920 178.3048 10 G 3.8268 7.9647 103.7310 45.7603 0.0000 174.9835 11 A 4.1096 7.6551 122.8950 54.5181 18.1739 178.9452 12 K 4.2472 7.5176 113.7982 56.9803 32.4330 177.5146 13 K 4.3571 7.6166 118.2126 57.6325 33.7865 177.2072 14 A 4.1840 8.2878 121.3500 54.9172 18.5397 179.3191 15 V 3.9948 7.0406 111.0570 61.9896 33.1229 176.1462 16 G 4.2338 7.6418 108.3479 44.5083 0.0000 174.7956 17 G 3.5575 8.0646 108.3230 47.7707 0.0000 174.3626 18 L 4.1777 7.9718 121.3607 56.8511 42.2885 177.9674 19 G 3.9272 7.3616 102.6522 44.3304 0.0000 174.3790 20 K 4.4880 7.5848 123.5556 54.8292 30.9574 178.2699 21 L 4.6850 7.7109 118.9854 50.3858 42.9253 175.0797 22 G 3.5861 9.4370 114.0788 45.4675 0.0000 173.3018 23 K 4.0290 7.8679 119.1338 58.5837 33.1404 176.5204 24 D 4.6540 7.9757 118.6206 53.7477 38.8568 174.2850 25 A 4.7643 9.5768 126.7979 52.4887 26.3000 178.5412 26 V 3.6910 7.8739 114.9967 66.0044 31.5579 177.7615 27 E 3.9463 8.1647 118.0374 59.3396 28.9965 178.5878 28 D 4.3106 8.0363 117.6496 57.3908 41.5710 178.0966 29 L 3.9209 7.5950 118.6034 58.3313 40.6693 178.6628 30 E 4.1627 8.5814 119.8827 58.8332 29.2272 178.8647 31 S 4.0720 8.0257 112.9074 61.1287 62.6793 176.0847 32 V 3.8299 7.4492 120.8244 66.0980 31.1318 178.3866 33 G 3.6900 7.5069 102.6301 47.2783 0.0000 174.7279 34 K 4.5769 7.9958 118.7613 55.3953 33.5677 176.8086 35 G 3.7380 8.0122 110.1903 45.9832 0.0000 174.2937 36 A 4.0897 8.0897 126.7084 55.0625 18.5837 179.2755 37 V 3.5267 7.8047 116.7766 66.6691 31.5963 177.5733 38 H 4.2221 8.1918 117.6572 59.0505 29.7668 176.5798 39 D 4.2008 7.9573 119.7395 57.4319 41.1743 178.5723 40 V 3.6376 7.6956 119.2912 64.5155 31.1601 178.1445 41 K 3.8764 8.1927 120.3734 59.4032 32.0158 178.3723 42 D 4.2947 8.4722 118.7626 57.2333 40.8801 178.3434 43 V 3.4813 7.4559 117.6989 65.8336 31.6284 177.6935 44 L 4.1445 7.8354 117.3114 56.4648 41.5035 178.1724 45 D 4.6365 7.4054 117.3508 55.5385 42.9977 177.2829 46 S 4.4503 8.2379 116.3471 56.7854 60.7914 172.2177 47 V 3.8969 7.5719 122.4358 61.7568 32.5999 175.8256 48 L 4.2645 8.4078 125.4568 54.9977 41.6642 176.4195 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 S 8.32 4.37 0.00 3.85 3.90 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 0.00 0.00 0.00 0.00 2 S 8.10 4.56 0.00 4.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.29 4.21 0.00 1.66 1.75 0.92 0.97 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 4 L 7.32 4.96 0.00 1.69 1.55 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.94 3.92 0.00 2.14 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 2.37 2.35 0.00 6 K 8.04 4.39 0.00 1.77 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 G 8.31 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 0.00 0.00 0.00 8 L 7.38 4.50 0.00 1.82 1.59 0.92 0.86 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 9 D 8.63 4.55 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 10 G 7.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.66 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.52 4.25 0.00 1.82 1.88 0.00 1.54 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 13 K 7.62 4.36 0.00 1.70 1.92 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.39 7.81 14 A 8.29 4.18 1.31 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 0.00 0.00 15 V 7.04 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 16 G 7.64 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 0.00 0.00 0.00 0.00 17 G 8.06 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 4.18 0.00 1.63 1.71 0.92 0.98 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 19 G 7.36 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 0.00 0.00 0.00 20 K 7.58 4.49 0.00 2.10 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.61 7.81 21 L 7.71 4.69 0.00 1.58 1.53 0.94 1.02 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 22 G 9.44 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.87 4.03 0.00 1.88 1.95 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.42 7.81 24 D 7.98 4.65 0.00 2.80 2.76 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 25 A 9.58 4.76 1.26 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 0.00 0.00 26 V 7.87 3.69 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 1.15 0.00 0.00 0.93 0.00 0.00 27 E 8.16 3.95 0.00 2.09 1.99 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 2.40 2.43 0.00 28 D 8.04 4.31 0.00 2.78 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 29 L 7.59 3.92 0.00 2.00 1.90 0.95 0.92 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 30 E 8.58 4.16 0.00 2.08 2.03 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 2.44 2.45 0.00 31 S 8.03 4.07 0.00 4.03 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 32 V 7.45 3.83 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 0.95 0.00 0.00 1.01 0.00 0.00 33 G 7.51 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.00 4.58 0.00 1.84 1.85 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 35 G 8.01 3.74 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 0.00 0.00 0.00 36 A 8.09 4.09 1.33 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 0.00 0.00 0.00 37 V 7.80 3.53 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 1.12 0.00 0.00 0.94 0.00 0.00 38 H 8.19 4.22 0.00 3.27 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.96 4.20 0.00 2.81 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 40 V 7.70 3.64 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 0.81 0.00 0.00 0.92 0.00 0.00 41 K 8.19 3.88 0.00 1.98 2.05 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.51 7.81 42 D 8.47 4.29 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 3.48 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 0.83 0.00 0.00 0.99 0.00 0.00 44 L 7.84 4.14 0.00 1.81 1.71 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.41 4.64 0.00 2.64 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 46 S 8.24 4.45 0.00 3.82 3.86 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 47 V 7.57 3.90 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 0.85 0.00 0.00 1.04 0.00 0.00 48 L 8.41 4.26 0.00 1.66 1.55 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00