NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 C 4.7741 8.4544 120.6399 54.3595 45.0747 174.2573 4 R 5.0071 7.8407 129.3084 54.7630 32.5034 173.4619 5 I 3.0992 9.2370 112.3420 62.8842 34.3661 173.5133 6 H 4.0650 8.4836 113.2113 56.6868 27.0719 174.8296 7 E 4.5739 8.1042 116.6416 57.9882 32.1622 176.3037 8 I 4.0876 7.8287 120.4883 60.8318 38.6725 175.1375 9 S 5.3714 8.1345 119.8181 58.0962 64.5340 177.3018 10 C 4.4754 8.9558 126.1667 56.0944 44.5637 174.9870 11 G 3.8256 8.5979 117.0173 44.0980 0.0000 173.1508 12 A 4.1294 7.5100 116.8170 51.4884 22.2272 176.6743 13 H 4.3261 8.3389 118.7102 58.2923 29.6443 175.5402 14 S 4.7148 7.3898 111.7330 55.9692 63.2992 177.0089 15 T 3.2716 8.5418 115.8312 64.7065 67.5150 169.9394 16 Q 4.7583 8.1778 130.0130 56.4757 27.4379 175.4939 17 C 4.9464 8.5029 119.3009 55.5326 44.2746 173.2200 18 I 4.4598 8.3205 123.0075 59.0422 38.0352 173.6417 19 P 4.2887 0.0000 0.0000 62.8188 31.6611 178.6421 20 V 3.0232 9.3858 124.2786 60.8607 33.9899 178.9138 21 S 3.1628 7.8406 113.4783 59.6220 63.2215 171.5159 22 W 5.0764 7.3261 122.0212 57.6212 29.4216 177.7803 23 R 4.2121 7.3827 121.0479 55.8007 28.5764 173.9107 24 C 3.9388 8.9675 123.8505 57.5568 37.0649 173.2054 25 D 4.8212 8.8701 114.3691 52.5087 40.1266 177.0981 26 G 4.0225 8.7921 105.1711 46.7749 0.0000 173.6483 27 E 4.6512 8.3787 116.4615 54.2899 33.3878 175.1942 28 N 4.9033 8.6479 119.2778 52.1102 39.6308 173.6535 29 D 4.2586 9.1995 125.6621 54.5610 41.2762 177.2164 30 C 4.1641 5.7800 121.4862 57.3857 43.2802 172.8783 31 D 4.3042 8.8630 126.9305 57.3458 40.9754 178.0739 32 S 4.1601 8.2112 110.1198 58.9089 62.6091 175.8702 33 G 3.7913 8.9104 109.0807 46.4522 0.0000 174.9798 34 E 4.2815 7.5748 119.1953 56.8403 30.0805 176.4047 35 D 4.7179 8.0124 116.6300 54.9942 39.5491 176.9014 36 E 4.6073 7.8899 116.1364 55.9360 32.3538 175.3841 37 E 4.0361 8.0397 118.6929 56.7931 28.8427 176.1841 38 N 4.2316 8.6381 124.2297 54.8290 35.4446 175.4631 39 C 4.7092 8.0864 112.6236 53.1657 41.1458 171.9616 40 G 3.9601 8.0634 113.7424 44.4321 0.0000 170.4867 41 N 4.5524 8.5058 122.4962 52.4128 37.5124 175.0716 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 3 C 8.45 4.77 0.00 2.96 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.84 5.01 0.00 1.97 1.07 0.00 3.25 0.00 0.00 3.90 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.68 0.00 5 I 9.24 3.10 1.89 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 1.43 0.18 0.92 0.00 0.00 6 H 8.48 4.06 0.00 3.24 3.42 0.00 5.83 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.10 4.57 0.00 1.95 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 2.19 2.29 0.00 8 I 7.83 4.09 2.18 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 1.45 0.56 0.97 0.00 0.00 9 S 8.13 5.37 0.00 3.86 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 10 C 8.96 4.48 0.00 3.20 3.18 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 11 G 8.60 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 12 A 7.51 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.34 4.33 0.00 3.24 3.49 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.39 4.71 0.00 3.98 3.23 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 15 T 8.54 3.27 4.24 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 1.20 0.00 0.00 16 Q 8.18 4.76 0.00 2.04 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 17 C 8.50 4.95 0.00 3.03 3.09 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 18 I 8.32 4.46 1.97 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 1.38 1.02 1.21 0.00 0.00 19 P 0.00 4.29 0.00 1.99 2.09 0.00 4.14 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 20 V 9.39 3.02 1.96 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 0.87 0.00 0.00 0.89 0.00 0.00 21 S 7.84 3.16 0.00 3.12 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 W 7.33 5.08 0.00 3.47 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.38 4.21 0.00 1.76 1.85 0.00 3.36 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 24 C 8.97 3.94 0.00 3.20 3.18 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 25 D 8.87 4.82 0.00 2.76 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 26 G 8.79 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.38 4.65 0.00 2.46 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 28 N 8.65 4.90 0.00 2.66 2.76 0.00 0.00 6.87 8.06 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 29 D 9.20 4.26 0.00 2.78 2.39 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 0.00 0.00 0.00 0.00 30 C 5.78 4.16 0.00 3.08 3.02 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 0.00 0.00 0.00 31 D 8.86 4.30 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.21 4.16 0.00 4.04 4.12 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 33 G 8.91 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.57 4.28 0.00 2.11 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 0.00 2.28 2.23 0.00 35 D 8.01 4.72 0.00 3.13 2.92 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 0.00 0.00 0.00 36 E 7.89 4.61 0.00 2.11 1.96 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 2.27 2.43 0.00 37 E 8.04 4.04 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 38 N 8.64 4.23 0.00 2.89 2.94 0.00 0.00 7.01 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 39 C 8.09 4.71 0.00 3.05 3.09 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 40 G 8.06 3.96 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 0.00 0.00 0.00 41 N 8.51 4.55 0.00 2.81 2.77 0.00 0.00 6.13 7.56 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