NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2426 8.1727 121.7898 55.2706 34.7613 177.0046 3 L 3.7260 8.1182 118.9656 58.9363 42.4874 177.1792 4 S 4.0975 9.1289 115.3296 61.9372 62.8418 175.5766 5 E 3.9854 8.2237 121.3937 59.9637 29.3354 179.4609 6 V 3.6174 7.9969 118.8934 65.8477 31.5212 177.9267 7 R 3.9016 7.9761 115.8730 59.6293 29.0795 178.5763 8 K 4.1162 8.0700 118.5646 59.3026 31.5636 179.1237 9 Q 3.9039 9.8590 117.9077 59.4969 28.6926 179.8993 10 L 4.0428 8.3721 120.0783 57.3127 41.5042 179.0387 11 E 3.8302 8.8392 120.3884 59.4773 29.9190 178.9337 12 E 4.0270 8.7883 119.2050 59.1375 29.6579 178.0910 13 A 4.0361 8.0991 120.8751 56.0577 18.1669 180.3559 14 R 3.7124 8.0005 115.4655 58.8731 30.5753 177.8969 15 K 4.4422 7.3894 117.1496 55.4806 31.1788 175.6338 16 L 4.4334 7.8787 120.0466 54.4590 44.0799 175.0488 17 S 4.2653 8.0535 113.5584 58.4255 62.4548 167.7899 18 P 4.2479 0.0000 0.0000 65.8483 30.9506 178.6371 19 V 3.6141 7.6836 117.8611 65.1130 31.3336 177.7478 20 E 3.8988 8.1081 116.7543 60.0771 29.9409 177.5575 21 L 3.5452 8.2069 118.0489 58.4721 41.9234 178.3900 22 E 3.9062 8.2737 115.1039 60.1003 29.5396 179.8111 23 K 3.9717 7.4716 119.4494 59.0481 32.1429 177.9065 24 L 3.9100 8.0367 120.0236 58.8083 41.8063 179.0431 25 V 3.4464 7.8666 117.0752 66.2199 31.4939 177.9846 26 R 3.8881 8.0403 116.9769 59.4997 30.0095 178.0028 27 E 4.0228 7.8048 118.5126 59.4591 29.5569 178.8167 28 K 4.4227 7.8516 119.4073 59.0584 32.1179 179.4425 29 K 3.9980 8.6345 118.7150 59.2042 31.8915 179.3755 30 R 3.8105 8.6597 120.0973 59.6496 30.1734 178.3503 31 E 3.9351 8.7293 118.5157 59.2479 29.3492 179.3057 32 L 3.9296 7.7662 120.4034 58.3554 42.1970 178.5095 33 M 4.0163 8.1357 118.3035 58.6908 32.3595 177.3857 34 E 3.6596 8.1408 119.2692 59.5031 29.1682 179.0914 35 L 4.0303 8.1098 118.7707 57.7804 41.6375 179.6201 36 R 3.9808 8.6560 118.2292 59.4069 29.8619 178.8271 37 F 4.0455 8.5499 117.9141 60.2979 39.2477 177.5177 38 Q 4.1887 8.1418 116.6044 59.1594 28.5236 179.0174 39 A 3.9906 7.7151 120.6720 55.4915 18.3390 179.5092 40 S 3.9556 8.2999 113.2298 61.1454 62.4016 175.6024 41 I 4.5032 7.5110 114.4447 60.0024 38.9639 179.8040 42 G 3.6929 9.2796 108.5862 47.4857 0.0000 172.8354 43 Q 4.3502 8.5736 120.2974 54.1686 29.1933 173.6581 44 L 4.3435 7.4128 127.4350 54.5609 46.0581 173.5142 45 S 4.7765 7.7342 111.8612 56.7895 64.5981 174.0800 46 Q 4.3771 8.2759 119.0650 55.5451 31.3486 178.1494 47 N 3.7861 8.8334 118.7124 52.8354 40.6368 177.9273 48 H 3.6365 8.9226 129.9134 58.8879 29.6178 176.9290 49 K 3.6204 8.2884 120.4849 59.2792 31.6841 178.6591 50 I 4.0108 8.7524 121.0977 63.6082 37.5594 178.0552 51 R 3.9401 7.9118 116.2582 59.6975 29.1991 178.0895 52 D 4.2878 8.3059 118.7295 56.9125 41.1220 177.9360 53 L 3.9808 7.5187 119.4564 57.8480 41.8732 179.0599 54 K 3.9162 8.4630 118.9309 59.5096 32.1814 179.2847 55 R 3.8878 7.8740 117.9179 59.5121 29.8230 178.8111 56 Q 4.2020 7.4927 117.2240 59.3687 28.9986 178.9835 57 I 3.5151 8.1784 118.9660 64.7503 36.9219 179.0558 58 A 3.4859 8.5768 117.4920 53.5107 19.1404 179.8500 59 R 3.8047 8.2815 114.3219 58.9605 30.6093 178.8056 60 L 3.9633 8.1712 118.7236 58.0539 41.4022 179.9237 61 L 3.9219 8.5143 118.7667 58.3400 41.6820 179.0668 62 T 4.2348 7.9967 114.9261 66.9731 68.2765 176.0349 63 V 3.9432 8.1382 121.0799 65.4268 31.3537 177.6213 64 L 3.9085 7.9030 118.6544 58.5087 42.0635 178.5659 65 N 4.4773 9.1037 117.0953 56.4130 38.6445 177.2297 66 E 4.0741 8.7655 119.1415 59.5410 29.0838 179.3327 67 K 4.2224 8.2951 119.6019 59.2236 31.9316 179.2875 68 R 3.9584 8.3363 118.8125 58.3465 30.0482 178.4474 69 R 4.8036 7.5074 116.7820 55.5977 29.7033 176.3571 70 Q 4.7289 7.7688 116.8543 57.4066 35.3314 174.7933 71 N 4.3857 7.8461 116.1896 55.6709 39.3355 174.4530 72 A 4.1735 7.4142 124.1773 52.4555 18.3531 176.8171 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 K 8.17 4.24 0.00 1.86 1.70 0.00 1.63 0.00 0.00 2.06 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.50 7.81 3 L 8.12 3.73 0.00 1.83 1.69 0.92 0.65 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 4 S 9.13 4.10 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.22 3.99 0.00 2.12 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 2.41 2.40 0.00 6 V 8.00 3.62 2.32 0.00 0.00 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 0.00 0.00 0.97 0.00 0.00 7 R 7.98 3.90 0.00 2.02 2.20 0.00 2.83 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 8 K 8.07 4.12 0.00 2.07 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.63 7.81 9 Q 9.86 3.90 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 10 L 8.37 4.04 0.00 1.83 1.67 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.84 3.83 0.00 2.15 2.11 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 2.33 2.37 0.00 12 E 8.79 4.03 0.00 2.19 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 2.30 2.32 0.00 13 A 8.10 4.04 1.45 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 0.00 0.00 0.00 14 R 8.00 3.71 0.00 1.96 1.98 0.00 3.30 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 15 K 7.39 4.44 0.00 1.80 1.83 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.34 7.81 16 L 7.88 4.43 0.00 1.79 1.67 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.05 4.27 0.00 4.08 3.86 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 18 P 0.00 4.25 0.00 2.30 2.23 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 19 V 7.68 3.61 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 1.02 0.00 0.00 0.93 0.00 0.00 20 E 8.11 3.90 0.00 1.98 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 0.00 2.34 2.45 0.00 21 L 8.21 3.55 0.00 2.13 1.65 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.27 3.91 0.00 2.27 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 0.00 2.53 2.50 0.00 23 K 7.47 3.97 0.00 2.08 1.91 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.87 7.81 24 L 8.04 3.91 0.00 1.77 1.89 0.91 0.76 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 25 V 7.87 3.45 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.94 0.00 0.00 26 R 8.04 3.89 0.00 2.02 1.99 0.00 3.19 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 27 E 7.80 4.02 0.00 2.11 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 2.30 2.40 0.00 28 K 7.85 4.42 0.00 2.00 1.85 0.00 1.74 0.00 0.00 1.98 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.50 7.81 29 K 8.63 4.00 0.00 1.85 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.58 7.81 30 R 8.66 3.81 0.00 1.87 2.06 0.00 3.07 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 31 E 8.73 3.94 0.00 2.18 1.98 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 2.31 2.52 0.00 32 L 7.77 3.93 0.00 1.82 1.91 0.93 0.92 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 33 M 8.14 4.02 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.32 0.00 34 E 8.14 3.66 0.00 2.13 1.90 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 2.26 2.35 0.00 35 L 8.11 4.03 0.00 2.11 1.74 0.92 1.10 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 36 R 8.66 3.98 0.00 2.15 2.07 0.00 3.21 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 37 F 8.55 4.05 0.00 3.11 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.14 4.19 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.79 2.58 0.00 39 A 7.72 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 40 S 8.30 3.96 0.00 3.88 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.51 4.50 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.85 0.87 0.00 0.00 42 G 9.28 3.69 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 0.00 0.00 0.00 43 Q 8.57 4.35 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 44 L 7.41 4.34 0.00 1.71 1.64 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.73 4.78 0.00 3.86 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 46 Q 8.28 4.38 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 5.83 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 47 N 8.83 3.79 0.00 2.95 2.49 0.00 0.00 6.75 8.16 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 48 H 8.92 3.64 0.00 3.33 3.51 0.00 5.48 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.29 3.62 0.00 2.03 1.89 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.63 7.81 50 I 8.75 4.01 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.77 0.92 0.00 0.00 51 R 7.91 3.94 0.00 2.04 2.22 0.00 2.99 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 52 D 8.31 4.29 0.00 2.84 2.74 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 0.00 0.00 0.00 53 L 7.52 3.98 0.00 2.08 1.73 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.46 3.92 0.00 2.00 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.59 7.81 55 R 7.87 3.89 0.00 2.07 1.98 0.00 3.41 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 1.73 0.00 56 Q 7.49 4.20 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 57 I 8.18 3.52 1.94 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 1.70 0.84 0.91 0.00 0.00 58 A 8.58 3.49 1.33 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 59 R 8.28 3.80 0.00 2.06 2.00 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 60 L 8.17 3.96 0.00 1.88 1.74 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.51 3.92 0.00 1.83 1.70 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.00 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 1.25 0.00 0.00 63 V 8.14 3.94 2.25 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 1.42 0.00 0.00 0.99 0.00 0.00 64 L 7.90 3.91 0.00 1.76 1.90 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.10 4.48 0.00 2.95 2.83 0.00 0.00 6.83 7.54 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 66 E 8.77 4.07 0.00 2.13 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 0.00 2.47 2.41 0.00 67 K 8.30 4.22 0.00 2.04 1.90 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.70 1.62 7.81 68 R 8.34 3.96 0.00 1.86 1.96 0.00 3.28 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 69 R 7.51 4.80 0.00 1.98 1.95 0.00 3.20 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 70 Q 7.77 4.73 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.10 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 71 N 7.85 4.39 0.00 2.93 2.87 0.00 0.00 7.23 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.41 4.17 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00