NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5803 8.2076 120.1674 54.4492 42.9040 177.5119 2 Y 4.1403 7.8326 117.7733 59.3634 38.0046 176.5111 3 L 3.8005 7.5766 121.7082 57.5188 42.1510 180.5431 4 R 3.9860 7.7496 117.1999 58.7656 30.1078 178.5724 5 E 4.0867 7.7446 117.4310 58.8714 29.6603 178.8986 6 L 4.0589 7.5132 118.2914 57.5776 41.6059 179.2541 7 L 4.0104 8.0071 120.4746 57.9587 42.0117 179.1426 8 K 3.9777 7.7555 118.6826 59.3252 31.8609 179.3921 9 L 4.0017 7.8857 118.9357 57.8213 41.6054 179.0984 10 E 3.9881 8.1916 118.5429 59.5380 29.2722 179.4098 11 L 3.9546 8.0984 118.8262 57.9453 41.7308 179.4178 12 Q 3.9363 8.2157 119.0382 59.2268 29.0942 178.1030 13 A 4.1428 8.4017 121.3209 54.4734 18.5142 179.3236 14 I 4.0058 7.7148 118.5993 63.6533 37.3243 177.9651 15 K 4.1105 7.8968 120.4979 58.8375 32.0175 178.9294 16 Q 3.9466 8.0523 118.7410 59.0306 28.6689 177.9382 17 Y 4.1547 7.9557 117.6881 60.8549 37.8274 179.0622 18 R 3.9387 8.0943 118.8764 59.3862 30.0749 178.4636 19 E 3.9477 8.0885 118.1500 59.7166 29.5179 179.6502 20 A 4.0726 8.3836 120.7056 55.0709 18.4498 179.1724 21 L 3.9205 8.1305 118.9942 58.4179 41.8660 178.7246 22 E 3.9302 8.0099 117.7096 59.6838 29.6555 177.9643 23 Y 4.2867 7.7072 117.9334 59.7108 39.2512 176.6635 24 V 3.9972 7.8330 116.0230 61.2819 32.2683 176.0440 25 K 3.7950 8.5048 114.4692 57.3526 31.2437 175.2134 26 L 3.9590 7.7699 119.5604 54.7827 42.0363 176.5030 27 P 4.3183 0.0000 0.0000 65.5249 31.1717 178.9620 28 V 3.7070 7.7707 117.5674 64.5092 31.3893 178.2912 29 L 4.0285 7.9292 119.4676 57.5187 41.3679 179.2722 30 A 3.9598 7.7306 120.4030 54.9524 18.3993 179.4354 31 K 4.0309 7.8550 117.7455 59.4529 32.0960 179.2463 32 I 3.4326 7.6101 120.1711 64.3403 37.0639 178.0225 33 L 3.7371 7.5985 119.7558 58.2837 41.5374 179.7437 34 E 3.8866 7.9104 117.6738 59.3384 29.3409 179.1011 35 D 4.0624 7.6878 118.7441 57.2802 40.7699 178.6981 36 E 3.7639 8.0987 119.2211 59.4311 28.9726 179.3396 37 E 3.8975 8.1034 118.7879 58.8746 29.4738 179.2328 38 K 3.6301 7.5273 118.3043 59.0626 32.7272 179.0705 39 H 3.9164 7.3728 117.9711 58.8006 28.5944 177.3300 40 I 3.6522 7.8550 121.8574 64.4882 37.1091 177.6146 41 E 3.8943 7.5634 119.1902 59.6393 29.2286 179.2558 42 W 4.4516 8.1263 118.3927 59.6556 29.0291 178.6432 43 L 4.1045 8.1640 119.2090 57.6637 40.9856 178.9699 44 E 4.2303 8.4918 118.4572 59.1836 29.6593 178.3961 45 T 4.2328 7.8706 115.0594 65.6572 68.4860 176.9403 46 I 3.9056 7.3166 121.4149 63.7648 37.2929 177.3227 47 L 4.3002 8.3329 117.5580 54.0452 41.5732 177.2309 48 G 4.3274 7.6047 114.1484 46.0991 0.0000 173.5723 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 8.21 4.58 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.83 4.14 0.00 3.44 3.20 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 3 L 7.58 3.80 0.00 1.33 1.52 0.73 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.75 3.99 0.00 1.95 1.95 0.00 3.10 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 5 E 7.74 4.09 0.00 2.29 2.01 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 2.49 2.51 0.00 6 L 7.51 4.06 0.00 1.85 1.72 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.01 4.01 0.00 1.82 1.86 0.92 0.68 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 8 K 7.76 3.98 0.00 2.05 1.85 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 9 L 7.89 4.00 0.00 1.94 1.73 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.19 3.99 0.00 2.16 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 2.57 2.54 0.00 11 L 8.10 3.95 0.00 1.89 1.73 0.92 0.64 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 12 Q 8.22 3.94 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 13 A 8.40 4.14 1.51 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 14 I 7.71 4.01 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.27 0.93 0.00 0.00 15 K 7.90 4.11 0.00 1.82 1.79 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.60 7.81 16 Q 8.05 3.95 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 17 Y 7.96 4.15 0.00 3.22 3.01 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 18 R 8.09 3.94 0.00 2.13 2.00 0.00 3.39 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 19 E 8.09 3.95 0.00 2.21 2.01 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 2.33 2.37 0.00 20 A 8.38 4.07 1.38 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 0.00 0.00 21 L 8.13 3.92 0.00 2.00 1.73 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.01 3.93 0.00 2.06 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 0.00 2.37 2.35 0.00 23 Y 7.71 4.29 0.00 2.95 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 24 V 7.83 4.00 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 0.92 0.00 0.00 1.11 0.00 0.00 25 K 8.50 3.79 0.00 1.83 1.86 0.00 1.90 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.41 7.81 26 L 7.77 3.96 0.00 1.74 1.65 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.32 0.00 2.14 2.10 0.00 3.59 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 28 V 7.77 3.71 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 0.86 0.00 0.00 0.93 0.00 0.00 29 L 7.93 4.03 0.00 2.09 1.84 1.10 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.73 3.96 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 31 K 7.85 4.03 0.00 1.93 1.88 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.60 7.81 32 I 7.61 3.43 1.49 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.45 -0.08 0.00 0.00 33 L 7.60 3.74 0.00 1.87 1.68 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.91 3.89 0.00 2.06 1.88 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 2.25 2.28 0.00 35 D 7.69 4.06 0.00 2.55 2.41 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 36 E 8.10 3.76 0.00 1.96 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 2.33 2.42 0.00 37 E 8.10 3.90 0.00 2.06 1.88 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 2.26 2.24 0.00 38 K 7.53 3.63 0.00 1.40 1.64 0.00 1.23 0.00 0.00 1.37 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.31 0.21 7.81 39 H 7.37 3.92 0.00 3.31 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.86 3.65 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.88 0.00 0.00 41 E 7.56 3.89 0.00 2.14 1.93 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 2.34 2.38 0.00 42 W 8.13 4.45 0.00 3.62 3.07 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 0.00 0.00 0.00 0.00 43 L 8.16 4.10 0.00 1.73 1.71 0.99 0.62 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 44 E 8.49 4.23 0.00 1.94 2.20 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 2.34 2.36 0.00 45 T 7.87 4.23 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 46 I 7.32 3.91 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.56 0.88 0.00 0.00 47 L 8.33 4.30 0.00 1.56 1.68 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.60 4.33 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 0.00