NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7353 8.1700 119.7073 53.0406 41.1302 175.7374 2 H 3.6611 8.7597 118.1576 58.7753 29.4444 174.6729 3 Y 3.9282 8.9563 122.1154 61.1455 38.6060 177.5224 4 N 4.3715 8.9271 117.3314 56.3960 38.6148 176.4583 5 C 4.2147 8.3047 120.2808 59.7621 44.9684 175.8503 6 V 3.7133 8.3603 121.7107 65.1871 30.9766 178.3328 7 S 3.9144 7.6294 112.9335 60.6742 62.7555 175.0726 8 S 4.3093 7.4357 112.3657 58.1855 63.1986 174.8236 9 G 3.8875 8.1673 110.0685 45.0227 0.0000 173.8689 10 G 3.9562 7.9955 107.7335 45.7977 0.0000 172.7179 11 Q 4.7879 8.8561 118.4029 54.0406 32.2891 174.7512 12 C 4.9928 8.6832 120.2938 55.9868 38.9266 173.1133 13 L 4.9463 8.7471 124.1930 53.1664 44.8591 177.8661 14 Y 4.2410 9.0904 120.7009 59.7726 38.6528 175.0941 15 S 4.9341 7.6360 113.2729 56.4932 65.5145 173.3579 16 A 4.1780 8.4552 122.0993 52.8617 18.7773 178.2852 17 C 4.5546 8.3671 117.5202 55.7249 37.0321 172.2653 18 P 4.5557 0.0000 0.0000 61.4806 32.2388 175.2863 19 I 3.4293 7.8751 118.4467 62.5650 38.0674 175.4302 20 F 4.1742 8.5392 123.7619 57.9936 36.0619 174.3934 21 T 4.9978 7.5784 110.0838 60.0478 72.0316 172.4470 22 E 4.7832 8.3717 119.1419 54.5256 34.0337 174.0463 23 I 4.1814 8.2951 120.7996 61.8934 37.3867 177.1275 24 Q 4.2938 9.3391 126.8972 52.8028 29.2867 175.2640 25 G 3.7680 8.7899 109.1689 44.1645 0.0000 169.4734 26 T 5.0678 7.9936 106.8497 60.0210 72.1039 172.8892 27 C 4.5967 8.0524 117.8163 56.0140 41.5840 172.9659 28 Y 3.6698 8.6226 116.3589 59.8545 33.9168 170.5421 29 R 3.5839 8.7740 112.0991 57.4076 28.1569 178.1870 30 G 3.9668 8.4996 103.7699 45.7845 0.0000 175.2707 31 K 4.1961 7.9735 118.9888 57.4726 32.7882 176.6321 32 A 4.5480 8.0062 120.2903 49.9432 22.0839 175.8790 33 K 4.5401 8.6854 118.6936 55.3105 34.8943 175.3484 34 C 4.9258 8.6508 123.6296 55.6567 45.2025 171.6626 35 C 5.2332 9.2426 125.3529 55.5437 41.6013 174.0468 36 K 4.1636 8.6712 124.8568 56.7869 31.7296 175.4602 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 8.17 4.74 0.00 2.87 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 2 H 8.76 3.66 0.00 3.11 3.40 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.96 3.93 0.00 3.18 3.26 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 4 N 8.93 4.37 0.00 2.93 2.86 0.00 0.00 6.77 8.25 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 5 C 8.30 4.21 0.00 2.95 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 6 V 8.36 3.71 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 1.05 0.00 0.00 0.76 0.00 0.00 7 S 7.63 3.91 0.00 3.71 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 4.31 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 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 0.00 10 G 8.00 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 11 Q 8.86 4.79 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 12 C 8.68 4.99 0.00 2.75 2.38 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 13 L 8.75 4.95 0.00 1.50 1.52 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.09 4.24 0.00 3.04 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 15 S 7.64 4.93 0.00 3.97 3.92 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 16 A 8.46 4.18 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 17 C 8.37 4.55 0.00 2.97 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 18 P 0.00 4.56 0.00 2.24 2.21 0.00 3.71 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 2.09 1.96 0.00 19 I 7.88 3.43 1.69 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.28 0.93 0.00 0.00 20 F 8.54 4.17 0.00 3.30 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 21 T 7.58 5.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 22 E 8.37 4.78 0.00 1.99 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 2.26 2.33 0.00 23 I 8.30 4.18 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.89 0.00 0.00 24 Q 9.34 4.29 0.00 1.79 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.30 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 25 G 8.79 3.77 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 0.00 0.00 0.00 26 T 7.99 5.07 4.31 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 1.18 0.00 0.00 27 C 8.05 4.60 0.00 1.93 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 0.00 0.00 0.00 28 Y 8.62 3.67 0.00 3.18 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 29 R 8.77 3.58 0.00 2.05 2.07 0.00 3.47 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 30 G 8.50 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.20 0.00 2.17 2.16 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.59 7.81 32 A 8.01 4.55 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 4.54 0.00 1.71 1.67 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.50 7.81 34 C 8.65 4.93 0.00 2.89 2.99 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 0.00 0.00 0.00 35 C 9.24 5.23 0.00 2.84 2.98 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 36 K 8.67 4.16 0.00 1.69 1.58 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.37 7.81