NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4758 8.1933 116.7950 58.3169 64.5556 175.2109 3 T 3.6775 9.1073 128.0345 67.2360 68.0530 173.5396 4 L 3.9979 8.0545 120.6061 57.7138 42.0428 179.0724 5 K 3.9332 8.0077 119.0710 59.4064 32.1952 178.4982 6 E 3.9499 8.3036 119.0593 59.3463 29.3090 179.5279 7 V 3.5588 7.8206 118.1500 66.0291 31.5646 177.6292 8 Q 3.9516 8.2972 119.5649 59.5901 28.8412 178.3114 9 D 4.3388 8.4779 120.0635 57.3339 40.7583 178.3147 10 N 4.3957 8.3406 117.6926 56.4944 38.9352 177.0592 11 I 3.6960 8.0697 121.6001 64.6480 37.1569 178.2900 12 T 3.8459 8.0908 116.7018 66.7192 68.3114 176.2448 13 L 3.9241 8.0218 121.9468 58.6448 42.0062 178.8135 14 H 4.1915 8.5298 116.1977 58.7703 28.6051 177.6484 15 E 3.9866 8.7727 120.9418 59.4227 29.3634 179.4394 16 Q 3.9836 8.3557 118.2744 59.1558 28.7395 179.0971 17 R 3.9581 8.1679 119.0826 58.9130 29.9373 178.8790 18 L 3.9304 8.2610 120.7266 58.0203 42.0780 179.1604 19 V 3.5843 7.7893 118.4105 66.3161 31.4999 178.1735 20 T 3.8995 7.8073 109.2969 65.0621 68.5752 176.4671 21 T 3.8566 8.2814 116.3489 64.9315 67.2735 176.4538 22 R 3.9118 8.4404 120.5274 59.0406 30.0272 178.8235 23 Q 3.9370 8.1453 119.6127 59.1434 29.0961 178.3812 24 K 4.1305 8.0607 119.5767 59.2926 31.9806 179.0710 25 L 3.9478 8.1239 120.8136 58.1051 42.0480 179.0971 26 K 4.4312 8.1988 119.9830 59.0301 32.0824 178.9646 27 D 4.3168 8.2365 118.7716 57.4774 40.9186 178.8449 28 A 4.0390 8.0719 121.1536 55.0648 18.2382 179.5531 29 E 3.9257 8.6163 117.6978 59.5526 29.5719 179.5355 30 R 3.8803 8.0430 118.5527 59.2883 30.0724 178.3680 31 A 3.9867 7.9296 120.4130 55.2399 18.1466 179.8473 32 V 3.6896 7.5074 115.3020 66.0118 31.6614 177.6372 33 E 4.0982 8.1514 117.7260 59.5334 29.4012 178.9638 34 L 4.4947 7.7213 117.4499 56.1499 42.6176 176.8100 35 D 4.5065 8.0615 118.3107 52.6879 42.5256 173.3694 36 P 4.5758 0.0000 0.0000 61.4531 30.6353 176.2278 37 D 4.7019 7.4579 122.7342 53.2525 42.4464 176.9898 38 D 4.3198 8.4540 119.2267 57.4165 40.7684 179.2324 39 V 3.5759 7.6973 118.1909 66.1907 31.6701 177.6716 40 N 4.3557 8.8009 116.5349 56.3063 38.2570 177.6048 41 K 4.0255 8.4394 120.2719 59.4537 32.1160 179.6627 42 S 4.1170 8.2845 115.6043 61.7361 62.7205 176.7098 43 T 3.8576 8.0234 118.4948 66.5565 68.1411 176.3042 44 L 3.9189 8.0101 122.0992 58.1498 42.1817 178.5560 45 Q 3.9572 8.2477 119.6148 59.5026 28.9305 178.8043 46 S 4.1134 8.1157 115.8358 61.7582 62.8979 176.9433 47 R 3.9566 8.1608 120.7792 59.1319 29.7057 179.2691 48 R 3.8879 8.3752 118.0691 59.3645 30.0506 178.9820 49 A 3.9744 7.9856 120.0685 54.9606 18.3542 179.5637 50 A 3.9062 8.0485 119.3859 55.2508 18.4496 180.0318 51 V 3.5166 7.7777 116.7400 66.3877 31.5785 178.4746 52 S 4.2667 8.3096 114.7524 61.5366 62.6466 176.5665 53 A 3.9937 8.3166 123.7533 55.0770 18.0103 179.7248 54 L 4.0083 7.9504 117.5301 57.9757 41.6264 179.5674 55 E 3.9795 8.4140 118.6600 59.5427 29.3938 179.4677 56 T 3.8276 8.1149 115.9331 66.5948 68.5482 176.4861 57 K 3.8884 8.0638 121.3558 59.5297 32.1025 178.6832 58 L 4.0471 8.3529 119.7533 57.7885 41.5439 179.7777 59 G 3.5872 8.3445 105.7778 47.6622 0.0000 175.6230 60 E 3.9634 8.1153 120.8127 59.2467 29.4763 179.3448 61 L 3.9753 7.9714 118.9368 57.8767 41.7063 179.9158 62 K 3.9962 8.3376 118.5655 59.4858 32.0957 179.7023 63 R 3.9481 8.0980 118.3692 59.2609 29.9110 179.0382 64 E 3.9698 8.3335 118.4322 59.2772 29.3932 179.0567 65 L 3.9432 8.3312 120.5912 57.9643 42.0959 178.7283 66 A 3.9638 8.0867 120.7384 55.4642 18.3479 179.2148 67 D 4.2884 8.0054 115.8811 57.1857 41.3309 178.2988 68 L 3.9883 8.3262 120.1267 57.8128 41.4125 179.5592 69 I 3.6670 7.7965 118.3302 64.4592 37.1887 178.0147 70 A 4.1072 7.9016 119.8609 55.2008 18.2151 179.2510 71 A 4.0917 7.8757 118.5075 55.0671 18.5483 178.1091 72 Q 4.2360 7.7239 119.7571 56.3188 29.0188 175.9329 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 2 S 8.19 4.48 0.00 3.90 3.08 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 0.00 0.00 0.00 0.00 3 T 9.11 3.68 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 4 L 8.05 4.00 0.00 1.73 1.72 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.01 3.93 0.00 1.86 1.96 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.59 7.81 6 E 8.30 3.95 0.00 2.23 1.99 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 2.33 2.48 0.00 7 V 7.82 3.56 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 1.07 0.00 0.00 0.94 0.00 0.00 8 Q 8.30 3.95 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 9 D 8.48 4.34 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.34 4.40 0.00 2.98 2.95 0.00 0.00 7.18 7.12 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 11 I 8.07 3.70 2.04 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 1.51 0.48 0.92 0.00 0.00 12 T 8.09 3.85 4.45 0.00 0.00 0.00 0.00 0.00 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 13 L 8.02 3.92 0.00 1.76 1.82 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.53 4.19 0.00 3.46 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.77 3.99 0.00 2.09 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 2.56 2.51 0.00 16 Q 8.36 3.98 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 17 R 8.17 3.96 0.00 1.99 1.96 0.00 3.07 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 18 L 8.26 3.93 0.00 1.86 1.86 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.79 3.58 2.23 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 0.99 0.00 0.00 1.00 0.00 0.00 20 T 7.81 3.90 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 1.26 0.00 0.00 21 T 8.28 3.86 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 22 R 8.44 3.91 0.00 2.10 1.96 0.00 3.18 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 23 Q 8.15 3.94 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 24 K 8.06 4.13 0.00 2.03 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.59 7.81 25 L 8.12 3.95 0.00 1.74 1.86 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.20 4.43 0.00 1.99 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.55 7.81 27 D 8.24 4.32 0.00 2.90 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 3.93 0.00 2.16 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 2.53 0.00 30 R 8.04 3.88 0.00 1.94 2.05 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 31 A 7.93 3.99 1.39 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 0.00 0.00 32 V 7.51 3.69 2.19 0.00 0.00 0.00 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 0.96 0.00 0.00 33 E 8.15 4.10 0.00 2.17 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 2.35 2.50 0.00 34 L 7.72 4.49 0.00 1.64 1.72 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.06 4.51 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.58 0.00 2.22 2.20 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 37 D 7.46 4.70 0.00 3.02 2.85 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 38 D 8.45 4.32 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.58 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 1.07 0.00 0.00 0.93 0.00 0.00 40 N 8.80 4.36 0.00 2.95 2.85 0.00 0.00 7.10 7.64 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 41 K 8.44 4.03 0.00 1.90 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 42 S 8.28 4.12 0.00 4.01 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 43 T 8.02 3.86 4.38 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 1.21 0.00 0.00 44 L 8.01 3.92 0.00 1.84 1.84 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.25 3.96 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 46 S 8.12 4.11 0.00 4.07 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 47 R 8.16 3.96 0.00 1.82 1.98 0.00 3.30 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.81 0.00 48 R 8.38 3.89 0.00 2.05 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 49 A 7.99 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.05 3.91 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 51 V 7.78 3.52 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 1.03 0.00 0.00 0.93 0.00 0.00 52 S 8.31 4.27 0.00 4.04 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.32 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.95 4.01 0.00 1.93 1.75 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.41 3.98 0.00 2.16 2.00 0.00 0.00 0.00 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 2.45 0.00 56 T 8.11 3.83 4.38 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 1.21 0.00 0.00 57 K 8.06 3.89 0.00 1.87 1.94 0.00 1.47 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.33 7.81 58 L 8.35 4.05 0.00 1.94 1.70 1.02 0.81 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 59 G 8.34 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.12 3.96 0.00 2.20 1.99 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 2.32 2.50 0.00 61 L 7.97 3.98 0.00 1.80 1.69 0.78 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.34 4.00 0.00 1.82 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.60 7.81 63 R 8.10 3.95 0.00 1.93 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 64 E 8.33 3.97 0.00 2.12 1.99 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 2.32 2.46 0.00 65 L 8.33 3.94 0.00 1.80 1.79 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.09 3.96 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 67 D 8.01 4.29 0.00 2.94 2.77 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 68 L 8.33 3.99 0.00 1.86 1.70 0.92 0.54 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 69 I 7.80 3.67 2.02 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 1.45 0.55 0.91 0.00 0.00 70 A 7.90 4.11 1.34 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 0.00 0.00 0.00 71 A 7.88 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.72 4.24 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.49 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00