NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0298 8.0131 114.2702 60.0281 39.5515 174.3727 4 G 4.1723 7.4668 107.4830 42.6077 0.0000 167.0847 5 V 4.2059 8.5414 119.7733 60.6687 34.0222 172.9004 6 P 4.2308 0.0000 0.0000 66.1497 31.0995 178.6337 7 I 3.5820 7.7543 116.4225 64.0109 37.9741 177.9105 8 K 4.0257 8.1263 119.5256 59.2606 31.6339 179.5394 9 V 3.5975 7.6542 117.3728 65.7444 31.7868 177.2633 10 L 4.0889 8.1639 120.3830 58.6383 41.9181 178.6468 11 H 4.2875 8.4309 116.2907 59.0090 28.4538 177.2599 12 E 4.2009 8.0841 117.8396 58.0015 29.5847 178.0701 13 A 4.3792 8.0992 120.6624 51.6728 19.0970 176.9709 14 E 4.2147 7.4316 118.0232 58.0803 29.8314 177.6795 15 G 3.9389 9.7948 113.1813 45.1182 0.0000 172.4413 16 H 5.0400 8.3274 116.5927 53.5324 32.6659 173.3198 17 I 4.3752 8.2887 121.0443 61.5911 37.7227 176.0451 18 V 4.7454 9.3326 119.2374 59.9526 36.5144 174.3396 19 T 5.0316 8.5342 118.9582 62.0278 71.1492 172.9888 20 C 4.9341 9.5423 127.6968 57.5957 34.0927 171.8338 21 E 4.8583 8.5074 128.6173 54.5732 31.0692 175.6012 22 T 4.7016 8.6560 117.7714 60.9287 70.1207 175.6876 23 N 4.4707 9.4328 120.0650 55.6064 38.6526 176.9017 24 T 4.4512 7.8734 107.0196 61.1387 69.0242 174.8362 25 G 3.8719 8.0557 108.3988 46.5103 0.0000 173.9758 26 E 4.4229 8.3688 119.4858 55.5298 31.4021 175.7999 27 V 4.5927 8.3260 122.4233 61.3806 34.3915 173.7255 28 Y 4.8922 9.3651 126.3392 56.1754 40.5122 174.7059 29 R 4.9417 9.0434 125.4106 54.4109 33.3144 175.3444 30 G 3.8342 8.0867 113.0563 45.6106 0.0000 170.6060 31 K 4.5753 7.6654 121.0513 55.8366 33.5069 176.7286 32 L 4.4519 8.8769 130.5625 55.2339 42.4371 176.9959 33 I 4.0013 8.8610 128.3816 63.5274 38.2395 176.2869 34 E 4.9795 7.9662 120.4057 55.0972 33.0058 173.6222 35 A 5.0727 9.5205 129.9261 50.4567 21.2584 176.5819 36 E 4.5329 8.8385 122.7502 55.0615 30.9966 177.3737 37 D 4.4684 8.5859 119.0952 56.8635 40.6626 177.2565 38 N 4.5973 8.1362 115.2340 52.6007 37.8241 175.8303 39 M 3.2529 7.9970 117.3540 55.9045 30.0893 176.1294 40 N 4.5094 8.4903 117.9955 53.5328 39.7481 173.7812 41 C 5.2814 9.1224 121.6847 58.0250 31.5554 172.8324 42 Q 5.1309 9.1404 123.0031 54.9814 30.2943 174.7790 43 M 5.4740 9.1928 123.2367 53.7225 36.8509 174.5306 44 S 4.9777 8.9276 114.6438 56.5795 67.0830 172.9654 45 N 4.2903 8.9688 117.6359 54.4546 36.2549 173.6706 46 I 4.7230 8.0584 112.6884 59.8493 41.4631 176.3543 47 T 5.0975 8.9497 120.2419 61.7210 70.9249 173.7642 48 V 4.3348 8.8438 126.2658 59.8567 34.4040 174.7003 49 T 4.6626 8.1615 121.0790 61.8495 70.6356 174.1621 50 Y 4.6089 8.7901 125.2301 56.8500 38.9990 176.7935 51 R 3.8810 8.8707 121.3951 59.8322 29.8874 176.7578 52 D 4.5769 8.1343 113.6248 53.3506 39.5632 177.0487 53 G 3.9273 8.4139 108.7410 45.3040 0.0000 174.0756 54 R 4.1104 8.1694 121.2789 56.3523 31.2785 175.2061 55 V 4.8511 8.3983 125.0815 61.2663 33.7710 174.1942 56 A 4.8904 8.9939 128.1856 50.6401 23.4540 174.2868 57 Q 5.1025 8.6344 116.8270 54.2559 31.9333 175.6417 58 L 4.8440 8.6680 121.9188 53.0294 45.4993 177.5909 59 E 4.0657 8.9842 122.2772 59.2469 30.6137 176.7083 60 Q 5.0648 7.8435 117.8434 54.7810 32.3905 174.3940 61 V 4.6167 8.8993 117.4190 59.8822 36.7483 173.6866 62 Y 5.0879 8.6418 124.2728 56.2371 40.6388 174.6063 63 I 4.1748 8.3765 129.0103 59.3598 39.5039 175.9526 64 R 4.1530 8.2536 126.4553 55.2599 31.2262 177.6656 65 G 3.8146 9.5350 111.3748 48.1751 0.0000 175.0659 66 C 4.3564 7.9599 111.7593 59.2137 29.9908 173.8891 67 K 4.3813 8.3973 120.0501 56.2873 32.7368 175.5652 68 I 4.5549 7.1957 120.8004 60.1526 38.3342 175.6396 69 R 4.3656 9.2573 126.6950 58.0910 30.5850 176.0269 70 F 4.9215 7.1669 110.8740 56.1818 40.8833 172.5685 71 L 5.3076 8.7891 118.7963 53.1177 45.1304 176.1835 72 I 4.4431 9.1788 123.9303 60.0568 38.6598 175.0059 73 L 5.0542 8.3966 127.1254 51.8229 44.0654 174.9478 74 P 4.1978 0.0000 0.0000 64.6596 31.7388 176.1621 75 D 4.8516 8.7746 119.5175 54.6562 40.1323 174.9782 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 3 I 8.01 4.03 1.87 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 1.34 1.12 0.91 0.00 0.00 4 G 7.47 4.17 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 0.00 0.00 0.00 5 V 8.54 4.21 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 1.01 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.23 0.00 2.18 2.12 0.00 3.65 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 2.12 2.18 0.00 7 I 7.75 3.58 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.30 0.91 0.00 0.00 8 K 8.13 4.03 0.00 1.97 1.86 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.47 7.81 9 V 7.65 3.60 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 0.83 0.00 0.00 0.97 0.00 0.00 10 L 8.16 4.09 0.00 1.75 1.77 0.92 1.31 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 11 H 8.43 4.29 0.00 3.36 3.32 0.00 5.67 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 12 E 8.08 4.20 0.00 2.11 2.02 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 2.37 2.58 0.00 13 A 8.10 4.38 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 14 E 7.43 4.21 0.00 2.06 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 2.41 2.44 0.00 15 G 9.79 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.33 5.04 0.00 3.17 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.29 4.38 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.49 0.97 0.00 0.00 18 V 9.33 4.75 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 0.92 0.00 0.00 0.95 0.00 0.00 19 T 8.53 5.03 4.32 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 1.23 0.00 0.00 20 C 9.54 4.93 0.00 2.91 2.89 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 21 E 8.51 4.86 0.00 1.44 1.12 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 0.00 1.86 2.16 0.00 22 T 8.66 4.70 4.35 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 1.35 0.00 0.00 23 N 9.43 4.47 0.00 2.72 2.91 0.00 0.00 6.99 6.99 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 24 T 7.87 4.45 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 1.22 0.00 0.00 25 G 8.06 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 26 E 8.37 4.42 0.00 2.11 1.68 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 2.54 2.42 0.00 27 V 8.33 4.59 1.94 0.00 0.00 0.00 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 0.89 0.00 0.00 28 Y 9.37 4.89 0.00 2.85 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.04 4.94 0.00 1.82 1.71 0.00 3.19 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 30 G 8.09 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.58 0.00 1.91 1.83 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.39 7.81 32 L 8.88 4.45 0.00 1.84 1.69 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.86 4.00 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.97 0.92 0.00 0.00 34 E 7.97 4.98 0.00 2.03 1.77 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 2.35 2.35 0.00 35 A 9.52 5.07 1.21 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 0.00 0.00 36 E 8.84 4.53 0.00 2.26 1.95 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 2.37 2.39 0.00 37 D 8.59 4.47 0.00 2.69 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 38 N 8.14 4.60 0.00 2.85 3.04 0.00 0.00 6.38 7.66 0.00 0.00 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 M 8.00 3.25 0.00 2.19 2.25 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 2.47 2.45 0.00 40 N 8.49 4.51 0.00 2.84 2.16 0.00 0.00 6.83 7.22 0.00 0.00 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 C 9.12 5.28 0.00 2.69 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 42 Q 9.14 5.13 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 43 M 9.19 5.47 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 44 S 8.93 4.98 0.00 3.86 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 45 N 8.97 4.29 0.00 2.81 2.89 0.00 0.00 6.87 7.33 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 46 I 8.06 4.72 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.03 1.00 0.00 0.00 47 T 8.95 5.10 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 1.14 0.00 0.00 48 V 8.84 4.33 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 -0.78 0.00 0.00 49 T 8.16 4.66 4.07 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 1.14 0.00 0.00 50 Y 8.79 4.61 0.00 3.16 2.82 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 51 R 8.87 3.88 0.00 1.82 2.02 0.00 3.25 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 52 D 8.13 4.58 0.00 2.82 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 53 G 8.41 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.17 4.11 0.00 2.00 1.99 0.00 3.09 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 55 V 8.40 4.85 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.89 0.00 0.00 56 A 8.99 4.89 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 57 Q 8.63 5.10 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 58 L 8.67 4.84 0.00 1.65 1.57 1.13 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.98 4.07 0.00 1.95 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 2.41 2.33 0.00 60 Q 7.84 5.06 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 61 V 8.90 4.62 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.87 0.00 0.00 62 Y 8.64 5.09 0.00 2.77 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 63 I 8.38 4.17 1.62 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.40 0.67 0.00 0.00 64 R 8.25 4.15 0.00 1.73 1.76 0.00 3.09 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.28 0.00 65 G 9.54 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.96 4.36 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.38 0.00 1.78 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.45 7.81 68 I 7.20 4.55 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.96 0.00 0.00 69 R 9.26 4.37 0.00 1.82 1.90 0.00 3.19 0.00 0.00 3.32 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.50 0.00 70 F 7.17 4.92 0.00 3.10 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 71 L 8.79 5.31 0.00 1.54 1.62 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.18 4.44 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.14 0.95 0.00 0.00 73 L 8.40 5.05 0.00 1.52 1.58 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.20 0.00 2.11 2.05 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 75 D 8.77 4.85 0.00 2.72 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00