NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Y 4.4726 8.0033 118.4178 58.1344 40.5357 177.2683 9 I 3.5689 7.8971 120.6252 63.8409 37.1708 176.3771 10 A 4.0317 7.9449 121.4144 55.1550 18.6446 179.0282 11 L 3.9605 7.9448 117.7030 59.3119 40.4138 179.5151 12 I 3.6915 7.8756 120.7941 64.0456 36.9575 178.4725 13 T 3.9017 8.4273 117.2596 67.0045 68.1692 176.5921 14 M 4.1077 8.1343 117.0209 57.8662 31.5625 178.2951 15 A 4.8661 7.9773 123.5569 55.0162 18.6535 179.7694 16 I 3.7548 8.4510 118.6099 64.2283 36.9342 178.3964 17 R 4.0159 7.9301 118.9991 59.1242 29.7763 177.1966 18 D 4.4261 7.6589 117.2906 58.2889 41.5186 177.1226 19 S 4.7268 8.4475 120.2307 58.0770 62.3816 175.1084 20 A 4.3761 9.0778 117.6183 51.5030 20.5667 176.0246 21 G 3.8469 8.6235 105.3566 48.4077 0.0000 175.6036 22 G 4.1632 7.5112 104.9748 45.6457 0.0000 173.0243 23 R 5.1268 7.7282 116.3780 54.8318 31.8387 172.9050 24 L 4.6575 9.4517 120.5975 55.3918 44.7200 173.6774 25 T 5.2814 7.9738 109.1575 58.8886 70.4415 175.0588 26 L 3.5977 8.2235 127.0387 56.8374 41.4742 179.3218 27 A 3.9050 7.6760 120.8083 55.2570 18.3546 179.3647 28 E 3.9665 7.9271 116.6099 59.3107 29.5471 179.4751 29 I 3.8857 7.7713 119.9107 64.7884 37.2673 178.3572 30 N 4.2321 8.3929 117.3556 55.7526 38.2563 177.1255 31 E 3.9208 8.0769 121.3361 59.5526 29.8051 178.4784 32 Y 4.2463 8.2013 117.5108 59.2627 38.1512 177.3349 33 L 2.7299 6.7393 122.4339 58.1435 41.8546 178.8861 34 M 4.3993 7.9319 116.9241 57.7465 32.1489 178.2539 35 G 3.8376 7.7118 103.3745 45.5127 0.0000 173.4676 36 K 4.3793 7.6572 119.9510 57.8565 33.6577 176.2366 37 F 4.7897 8.3657 121.3387 56.1882 39.1019 174.9339 38 P 4.2318 0.0000 0.0000 65.8918 31.2479 178.4061 39 F 4.3455 7.9040 117.1273 60.3370 38.5560 177.2564 40 F 4.5869 7.9841 119.5022 60.8764 39.2198 175.6937 41 R 4.5553 7.8333 116.1264 56.2619 29.8004 176.1876 42 G 4.3971 7.8761 104.9577 45.1197 0.0000 173.8457 43 S 4.6483 7.7087 114.7899 57.5941 67.7681 174.3158 44 Y 4.4015 7.4908 120.7813 56.8100 39.3433 175.4124 45 T 3.1362 8.2320 120.9215 60.4164 67.7406 175.0936 46 G 3.9646 6.1070 103.3186 44.9124 0.0000 172.9266 47 W 4.7539 6.2612 117.8665 56.6919 28.9593 176.9222 48 R 4.3775 7.4875 119.8925 59.4812 29.2041 177.5706 49 N 4.3600 8.0892 116.4163 56.8434 39.2226 176.7402 50 S 4.2963 8.1180 114.0421 61.0427 62.5900 176.0746 51 V 3.8090 9.4606 122.1491 66.0383 31.4827 178.0947 52 R 4.2701 8.3003 115.8996 59.8186 29.2139 178.2457 53 H 4.2837 8.6335 116.8312 58.9631 28.8652 177.3867 54 N 4.6407 8.6229 118.5397 56.2244 38.8408 176.5382 55 L 4.1276 8.5988 122.5774 58.5532 42.4087 178.9631 56 S 3.8371 8.6424 112.6265 60.5740 62.2207 175.0524 57 L 4.3355 8.2795 119.4945 56.0684 41.5776 176.7417 58 N 4.6544 7.8269 115.3534 54.8349 40.4221 175.7567 59 D 4.2805 7.5975 122.2814 57.1805 42.7597 176.4705 60 C 3.8698 7.4705 113.8887 60.9871 28.3643 170.0972 61 F 5.4205 6.4871 115.1856 55.0522 41.3148 176.0070 62 V 4.6443 8.7046 117.4517 60.1381 34.0235 175.0075 63 K 4.6534 8.3263 121.3646 55.0422 35.7037 174.9864 64 V 4.3050 8.0195 112.9644 59.3984 34.0979 177.1718 65 L 4.0244 8.7052 127.0562 55.1436 40.2243 174.8530 66 R 3.5155 7.8690 116.6642 56.9286 28.1626 175.4430 67 D 4.7533 8.1142 122.6338 51.2822 41.1795 176.4570 68 P 4.5611 0.0000 0.0000 60.5466 29.6828 176.2636 69 S 4.7978 6.9503 116.4502 58.7372 64.0206 176.1739 70 R 4.4020 7.0760 118.1539 53.1875 31.3621 173.7783 71 P 3.9675 0.0000 0.0000 63.2002 31.8176 174.5435 72 W 4.3096 8.1488 123.0088 55.6632 27.6566 175.0279 73 G 4.0860 7.7083 104.7596 44.3317 0.0000 173.4725 74 K 4.7386 6.5811 116.0545 57.4277 34.1202 173.2985 75 D 5.0855 7.8973 116.9186 53.7246 45.5804 174.5068 76 N 5.1911 8.3186 115.9476 52.0248 43.5601 173.0042 77 Y 5.3043 8.9486 123.1405 55.7664 41.7539 174.0926 78 W 5.1401 10.6690 126.5104 55.0485 32.9835 174.5270 79 M 4.9594 9.5827 124.4034 53.8860 33.6750 174.1660 80 L 5.4768 7.9736 125.1983 54.3006 43.4495 175.3998 81 N 5.5413 8.6942 115.5470 52.1714 40.0044 172.4278 82 P 4.5403 0.0000 0.0000 63.2091 31.3014 176.0860 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 8 Y 8.00 4.47 0.00 3.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.90 3.57 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.78 0.95 0.00 0.00 10 A 7.94 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.96 0.00 2.02 1.99 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.88 3.69 2.18 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 1.60 0.49 1.03 0.00 0.00 13 T 8.43 3.90 4.43 0.00 0.00 0.00 0.00 0.00 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 14 M 8.13 4.11 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.79 0.00 15 A 7.98 4.87 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.45 3.75 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.26 1.13 0.00 0.00 17 R 7.93 4.02 0.00 2.06 2.03 0.00 3.29 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 18 D 7.66 4.43 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.45 4.73 0.00 4.14 3.76 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 20 A 9.08 4.38 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.62 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 22 G 7.51 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 0.00 0.00 0.00 0.00 23 R 7.73 5.13 0.00 1.90 1.84 0.00 3.02 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 24 L 9.45 4.66 0.00 1.66 1.79 0.92 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.97 5.28 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 0.76 0.00 0.00 26 L 8.22 3.60 0.00 0.90 1.31 0.46 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.68 3.91 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 28 E 7.93 3.97 0.00 2.11 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 2.33 0.00 29 I 7.77 3.89 1.83 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 1.43 0.76 0.71 0.00 0.00 30 N 8.39 4.23 0.00 2.73 2.95 0.00 0.00 6.75 7.75 0.00 0.00 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 E 8.08 3.92 0.00 2.22 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 2.34 0.00 32 Y 8.20 4.25 0.00 3.14 3.28 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 33 L 6.74 2.73 0.00 1.35 1.41 -0.30 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 34 M 7.93 4.40 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.18 2.79 0.00 35 G 7.71 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.66 4.38 0.00 2.02 1.71 0.00 2.01 0.00 0.00 2.14 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.60 7.81 37 F 8.37 4.79 0.00 3.12 2.84 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 0.00 0.00 0.00 0.00 38 P 0.00 4.23 0.00 1.94 2.18 0.00 3.67 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.87 0.00 39 F 7.90 4.35 0.00 3.12 3.15 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 0.00 40 F 7.98 4.59 0.00 2.81 3.17 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 0.00 0.00 0.00 0.00 41 R 7.83 4.56 0.00 2.08 1.97 0.00 3.29 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 42 G 7.88 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 4.65 0.00 4.28 4.21 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 44 Y 7.49 4.40 0.00 3.02 2.88 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 0.00 0.00 0.00 45 T 8.23 3.14 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 46 G 6.11 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 47 W 6.26 4.75 0.00 3.64 3.32 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 0.00 0.00 0.00 0.00 48 R 7.49 4.38 0.00 1.65 1.83 0.00 3.15 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 49 N 8.09 4.36 0.00 2.89 2.83 0.00 0.00 6.90 7.59 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 50 S 8.12 4.30 0.00 4.16 4.09 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 0.00 0.00 0.00 0.00 51 V 9.46 3.81 2.59 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 0.98 0.00 0.00 1.21 0.00 0.00 52 R 8.30 4.27 0.00 2.70 2.55 0.00 3.14 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 53 H 8.63 4.28 0.00 3.66 3.52 0.00 5.82 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 54 N 8.62 4.64 0.00 3.20 2.95 0.00 0.00 7.03 6.34 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 55 L 8.60 4.13 0.00 2.26 2.45 0.95 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.64 3.84 0.00 4.18 4.02 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 0.00 0.00 0.00 0.00 57 L 8.28 4.34 0.00 1.80 1.71 0.96 0.99 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 58 N 7.83 4.65 0.00 2.77 2.85 0.00 0.00 7.13 7.95 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 59 D 7.60 4.28 0.00 1.78 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.47 3.87 0.00 2.94 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 6.49 5.42 0.00 3.16 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 62 V 8.70 4.64 2.10 0.00 0.00 0.00 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 0.89 0.00 0.00 63 K 8.33 4.65 0.00 0.79 0.74 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.85 0.84 7.81 64 V 8.02 4.30 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 0.64 0.00 0.00 1.12 0.00 0.00 65 L 8.71 4.02 0.00 1.58 1.61 0.91 1.03 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 R 7.87 3.52 0.00 1.94 1.89 0.00 3.59 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 67 D 8.11 4.75 0.00 2.86 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.56 0.00 2.20 2.14 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 69 S 6.95 4.80 0.00 3.86 4.23 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 0.00 0.00 0.00 70 R 7.08 4.40 0.00 1.93 2.01 0.00 3.20 0.00 0.00 3.56 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 71 P 0.00 3.97 0.00 0.93 1.46 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 72 W 8.15 4.31 0.00 3.41 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.71 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 6.58 4.74 0.00 1.88 1.88 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.34 7.81 75 D 7.90 5.09 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.32 5.19 0.00 2.79 2.89 0.00 0.00 6.64 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.95 5.30 0.00 3.05 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 W 10.67 5.14 0.00 3.16 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 79 M 9.58 4.96 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 80 L 7.97 5.48 0.00 2.14 1.73 1.20 0.88 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 81 N 8.69 5.54 0.00 2.74 2.82 0.00 0.00 6.47 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.54 0.00 2.12 2.10 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00