NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4441 8.3049 120.3265 54.9997 33.4170 174.6525 2 K 4.0907 8.4570 123.1610 53.6000 33.1087 174.7546 3 D 4.5454 8.7137 124.0272 52.6763 40.8899 175.7473 4 T 4.1408 8.4206 119.5436 61.4818 68.1767 173.7359 5 G 4.1995 8.3014 116.0196 43.9318 0.0000 171.4698 6 I 4.4779 7.9753 115.2633 60.5938 40.4949 175.2549 7 Q 4.6396 7.8751 119.2951 55.3495 29.9647 173.2892 8 V 3.8267 7.7697 120.6120 62.4836 32.7828 174.9207 9 D 4.7685 7.8446 122.3198 53.1119 40.2605 176.9761 10 R 4.0279 8.2271 118.9470 57.7290 31.0612 177.3293 11 D 4.7157 8.3674 124.3742 54.3205 41.1066 177.0529 12 L 4.3614 7.4477 115.4411 54.8056 41.8834 178.4005 13 D 4.3135 8.2215 121.4649 57.1923 42.6876 175.7981 14 G 3.8495 7.8942 108.1982 46.7057 0.0000 174.5581 15 K 4.2182 8.8275 119.2346 59.5444 33.2842 178.8636 16 S 4.7348 7.6053 116.2841 56.9775 62.2101 174.7524 17 H 5.1050 8.5749 113.9743 55.4456 32.2483 173.5872 18 K 4.1708 8.6986 124.9463 57.2613 32.3602 176.6061 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 4.44 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.46 4.09 0.00 1.82 1.74 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.49 7.81 3 D 8.71 4.55 0.00 2.78 2.69 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 4 T 8.42 4.14 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 1.21 0.00 0.00 5 G 8.30 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.98 4.48 1.87 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 1.30 0.45 0.91 0.00 0.00 7 Q 7.88 4.64 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 8 V 7.77 3.83 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 0.83 0.00 0.00 0.93 0.00 0.00 9 D 7.84 4.77 0.00 2.75 2.66 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 0.00 0.00 0.00 0.00 10 R 8.23 4.03 0.00 1.82 1.91 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 11 D 8.37 4.72 0.00 2.63 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 12 L 7.45 4.36 0.00 1.62 1.66 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.22 4.31 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.89 3.85 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 0.00 0.00 0.00 15 K 8.83 4.22 0.00 1.76 1.88 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.43 7.81 16 S 7.61 4.73 0.00 3.99 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.57 5.10 0.00 3.08 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.70 4.17 0.00 1.89 1.75 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.39 7.81