NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0814 8.2549 120.8393 55.0559 31.1769 175.2224 2 P 4.0283 0.0000 0.0000 62.3830 31.8716 176.6732 3 D 4.4350 8.4252 123.6680 58.1684 40.6583 178.5385 4 F 4.6496 7.9144 113.2373 59.9339 37.8395 177.7181 5 C 4.6471 7.2907 115.6889 58.7619 39.9963 174.5659 6 L 4.3977 7.5967 121.6783 54.7209 42.1842 177.3412 7 E 4.2709 7.4951 115.5308 54.9570 30.3857 180.6443 8 P 4.5794 0.0000 0.0000 60.9781 32.2769 174.7925 9 P 3.5508 0.0000 0.0000 62.7520 31.3212 175.1034 10 Y 4.7384 7.8757 122.7308 56.0399 40.2017 175.2843 11 T 4.1711 8.3745 125.1976 65.3319 68.8787 176.1967 12 G 3.6667 6.7914 104.2576 44.1749 0.0000 171.2989 13 P 4.3761 0.0000 0.0000 64.0703 31.8043 177.5763 14 C 4.4534 7.7510 118.9157 57.1470 40.8014 174.4011 15 K 3.8487 8.3180 121.9432 55.8484 31.9480 178.1781 16 A 4.2439 7.7582 120.1345 52.7286 19.8138 177.1606 17 R 4.7423 8.0121 116.7762 54.3731 30.3833 174.3046 18 I 4.3892 8.2801 122.5747 59.5119 40.0670 175.0752 19 I 4.3279 8.1010 126.7936 60.8648 37.9522 175.3765 20 R 4.5430 8.2842 124.7497 54.5451 34.8578 173.6320 21 Y 5.6966 9.2347 118.2544 56.6078 41.0060 175.1453 22 F 5.7615 9.4204 116.6389 55.4815 42.1323 172.7398 23 Y 4.4126 9.6153 122.6154 57.0605 39.6332 174.4432 24 N 4.6045 7.9592 126.2512 51.8746 39.1629 175.0703 25 A 3.9473 8.8506 132.4500 55.8013 18.8348 179.4421 26 K 4.0640 8.1124 115.3878 57.5752 31.8425 179.7974 27 A 4.0856 7.7854 120.7827 52.6283 18.8486 178.3952 28 G 3.8717 9.2815 103.5695 45.2657 0.0000 172.5128 29 L 4.5889 6.6234 118.4853 54.3707 44.1697 175.0092 30 C 4.8818 8.5410 116.7757 56.7886 41.4465 173.1499 31 Q 4.8451 8.5102 121.1605 54.2996 33.1043 174.2633 32 T 5.1623 8.5614 110.2867 61.2778 70.7913 173.9098 33 F 5.0082 8.7614 116.5115 55.9607 41.8799 173.0626 34 V 4.2818 8.4475 120.4407 62.2488 32.2479 174.3006 35 Y 4.6917 8.8406 130.4479 56.2129 39.9709 176.6819 36 G 3.5432 8.9069 114.5696 48.0281 0.0000 174.7855 37 G 3.6674 5.7781 106.2257 45.3188 0.0000 172.3638 38 C 4.8478 7.0715 112.4759 54.7624 44.9580 173.3809 39 R 3.7477 8.6602 116.7562 57.4573 26.8807 176.6008 40 A 4.3666 7.9079 119.0180 52.0821 19.7202 177.7440 41 K 4.4780 8.2535 119.7485 54.6302 34.2372 178.1324 42 R 3.3943 8.2073 118.2136 59.1270 30.0863 177.5053 43 N 4.9406 7.1749 115.6195 51.4004 36.8577 173.3875 44 N 5.0679 7.1736 116.8741 52.7702 41.7905 173.2377 45 F 4.9397 9.6881 126.1266 55.6781 41.9697 176.8889 46 K 4.0886 9.1803 124.1362 58.5122 32.8608 177.3850 47 S 4.8514 8.0375 112.3932 56.4366 65.0606 174.5065 48 A 3.3248 8.0460 130.3532 54.6871 18.0136 179.3028 49 E 3.7394 7.9644 117.4174 59.6545 29.6839 178.6390 50 D 4.2943 7.6819 118.6386 57.4204 40.8617 177.9714 51 C 2.4500 7.5199 118.1978 59.5126 41.2044 175.5627 52 M 3.8057 7.8110 119.2244 57.2971 31.2633 178.3849 53 R 3.9800 7.2848 118.3027 58.8447 30.5541 178.1839 54 T 4.0736 7.6778 114.6924 66.3117 68.6105 175.1657 55 C 4.3685 7.5487 115.2127 56.3532 40.4800 174.2179 56 G 3.9098 7.6212 114.1062 45.1907 0.0000 174.1890 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 R 8.25 4.08 0.00 1.58 1.79 0.00 2.86 0.00 0.00 2.84 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.34 0.00 2 P 0.00 4.03 0.00 1.11 1.67 0.00 3.30 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 3 D 8.43 4.43 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.91 4.65 0.00 3.25 3.37 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 5 C 7.29 4.65 0.00 2.85 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 L 7.60 4.40 0.00 1.69 1.76 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.50 4.27 0.00 2.01 1.74 0.00 0.00 0.00 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 2.15 0.00 8 P 0.00 4.58 0.00 1.98 1.95 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 9 P 0.00 3.55 0.00 0.72 0.49 0.00 3.36 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 0.00 10 Y 7.88 4.74 0.00 2.78 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 11 T 8.37 4.17 4.15 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 0.00 0.00 1.21 0.00 0.00 12 G 6.79 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.18 2.20 0.00 3.72 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 1.96 2.02 0.00 14 C 7.75 4.45 0.00 2.75 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.85 0.00 1.78 1.71 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 16 A 7.76 4.24 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.01 4.74 0.00 1.59 1.77 0.00 3.16 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 18 I 8.28 4.39 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.99 0.91 0.00 0.00 19 I 8.10 4.33 1.71 0.00 0.00 0.78 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 0.68 0.58 0.00 0.00 20 R 8.28 4.54 0.00 0.67 1.59 0.00 3.33 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 21 Y 9.23 5.70 0.00 3.08 2.97 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 22 F 9.42 5.76 0.00 3.10 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 23 Y 9.62 4.41 0.00 3.00 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 24 N 7.96 4.60 0.00 2.38 2.45 0.00 0.00 6.65 7.37 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 25 A 8.85 3.95 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 26 K 8.11 4.06 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 27 A 7.79 4.09 1.18 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 0.00 0.00 28 G 9.28 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.62 4.59 0.00 1.64 1.69 0.80 0.61 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 30 C 8.54 4.88 0.00 2.81 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 31 Q 8.51 4.85 0.00 1.51 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.15 1.94 0.00 32 T 8.56 5.16 4.16 0.00 0.00 0.00 0.00 0.00 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 33 F 8.76 5.01 0.00 2.99 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.45 4.28 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 0.71 0.00 0.00 0.91 0.00 0.00 35 Y 8.84 4.69 0.00 2.51 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 5.78 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.07 4.85 0.00 3.03 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.66 3.75 0.00 2.37 2.24 0.00 3.32 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 40 A 7.91 4.37 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.48 0.00 1.96 1.73 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.01 7.81 42 R 8.21 3.39 0.00 1.66 0.66 0.00 3.31 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 43 N 7.17 4.94 0.00 3.26 2.89 0.00 0.00 6.94 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.17 5.07 0.00 2.72 2.56 0.00 0.00 7.09 7.02 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 45 F 9.69 4.94 0.00 3.24 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 46 K 9.18 4.09 0.00 1.78 1.93 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.49 7.81 47 S 8.04 4.85 0.00 3.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.05 3.32 0.52 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 0.00 0.00 49 E 7.96 3.74 0.00 1.97 1.91 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 2.32 2.36 0.00 50 D 7.68 4.29 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.52 2.45 0.00 2.63 2.97 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 52 M 7.81 3.81 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 53 R 7.28 3.98 0.00 1.69 2.05 0.00 3.24 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 54 T 7.68 4.07 4.19 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 0.00 0.00 0.00 1.48 0.00 0.00 55 C 7.55 4.37 0.00 2.42 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.62 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 0.00 0.00 0.00