NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4545 8.3044 120.3264 54.1636 34.7666 174.6236 2 V 4.3500 7.0074 116.2487 59.6952 35.2730 175.2231 3 K 4.0176 9.4257 125.8118 59.1686 33.0978 177.7050 4 S 4.2886 8.0109 113.5198 60.1449 63.6663 174.5093 5 K 4.4702 7.9403 123.6709 55.6379 30.5665 176.0566 6 I 4.3811 7.4674 120.5925 61.9379 39.3160 177.2244 7 G 4.6812 8.0035 108.3123 46.1807 0.0000 174.7907 8 S 4.5944 8.0168 115.3489 58.1068 63.9910 174.9904 9 W 4.1393 7.7613 119.6170 59.4015 28.0612 177.8794 10 I 2.0000 6.9354 118.9332 63.2616 37.1517 177.2831 11 L 3.7147 7.2483 120.1860 58.1359 42.0693 178.9423 12 V 3.6164 7.3274 117.6292 64.9088 31.2821 177.7884 13 L 3.6608 7.5357 120.6629 58.2536 41.8377 178.4729 14 F 3.6200 6.5531 117.2592 60.5867 38.8168 178.2931 15 V 3.5050 6.9998 110.6023 63.7108 31.1729 178.6099 16 A 3.9683 7.2351 120.9656 55.1633 18.5095 179.1941 17 M 3.9426 8.2913 117.0821 58.4697 32.2103 178.5898 18 W 4.3651 7.8874 119.0247 60.1421 29.1944 178.7812 19 S 4.3220 8.1026 113.3915 61.5089 61.9902 176.5069 20 D 4.5120 8.2152 122.0255 57.3821 40.4784 178.8671 21 V 3.8662 7.6720 116.8609 64.7764 31.9794 176.7298 22 G 4.1846 7.9066 105.9056 44.7455 0.0000 173.3940 23 L 4.5982 7.7668 120.6342 55.9740 44.4065 176.8461 24 C 4.6312 7.4597 112.1501 54.1598 28.2875 173.2417 25 K 5.2088 7.4657 135.0000 58.6116 32.6915 176.2827 26 K 3.9909 7.9951 118.8923 56.8960 32.5085 174.7682 27 R 3.8852 7.9226 122.1771 54.3863 29.6585 173.9357 28 P 4.5621 0.0000 0.0000 62.1414 32.4729 176.7574 29 K 4.0492 8.4976 119.6005 58.8330 32.4289 174.7356 30 P 4.4354 0.0000 0.0000 62.9323 31.4026 175.8313 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 M 8.30 4.45 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 2 V 7.01 4.35 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 1.03 0.00 0.00 0.93 0.00 0.00 3 K 9.43 4.02 0.00 1.75 1.83 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 4 S 8.01 4.29 0.00 3.91 3.91 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 5 K 7.94 4.47 0.00 1.67 1.76 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.45 7.81 6 I 7.47 4.38 1.91 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 1.53 1.08 1.00 0.00 0.00 7 G 8.00 4.68 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 8 S 8.02 4.59 0.00 3.89 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 9 W 7.76 4.14 0.00 3.39 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.94 2.00 1.20 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 -0.14 0.66 0.00 0.00 11 L 7.25 3.71 0.00 1.72 1.56 1.04 0.96 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 12 V 7.33 3.62 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 1.02 0.00 0.00 0.94 0.00 0.00 13 L 7.54 3.66 0.00 0.78 0.52 0.67 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 14 F 6.55 3.62 0.00 2.50 1.50 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 15 V 7.00 3.50 2.15 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 0.94 0.00 0.00 0.90 0.00 0.00 16 A 7.24 3.97 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 17 M 8.29 3.94 0.00 1.95 1.96 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 2.57 2.60 0.00 18 W 7.89 4.37 0.00 3.52 3.04 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 0.00 0.00 0.00 19 S 8.10 4.32 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.22 4.51 0.00 3.00 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 21 V 7.67 3.87 2.31 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 0.85 0.00 0.00 1.05 0.00 0.00 22 G 7.91 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 4.60 0.00 1.83 1.69 0.94 1.00 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 24 C 7.46 4.63 0.00 3.18 2.95 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 25 K 7.47 5.21 0.00 1.85 1.94 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.18 7.81 26 K 8.00 3.99 0.00 1.73 1.85 0.00 1.94 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.47 7.81 27 R 7.92 3.89 0.00 2.01 1.92 0.00 3.26 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 28 P 0.00 4.56 0.00 2.18 2.07 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 29 K 8.50 4.05 0.00 1.74 1.87 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 30 P 0.00 4.44 0.00 2.22 2.02 0.00 3.85 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 1.99 1.96 0.00