NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4573 8.2893 118.1946 54.9862 33.4532 176.2990 2 E 4.2299 7.9569 117.0533 55.2570 29.7254 174.6088 3 L 3.5240 7.7091 120.4866 54.5829 39.7932 173.3631 4 P 4.2568 0.0000 0.0000 63.3081 31.4961 178.0009 5 I 4.0195 8.2736 114.0972 62.4880 38.1396 177.9487 6 A 4.1026 7.8344 123.4836 54.6515 18.4454 177.4170 7 P 4.1690 0.0000 0.0000 66.3474 31.4224 178.6151 8 I 3.8990 7.7376 119.3452 63.1112 36.8513 178.6685 9 G 3.5685 8.2030 107.3784 47.9972 0.0000 175.9712 10 R 4.3264 7.9118 120.2071 57.8311 30.2550 178.9079 11 I 3.6648 7.7002 120.2723 64.5756 37.1908 178.1474 12 I 4.0212 8.3607 119.6151 62.9741 37.0868 178.5581 13 K 4.0418 8.4317 120.8773 59.4220 31.6631 178.6462 14 D 4.3428 7.9186 117.2134 56.9609 41.1206 177.8273 15 A 4.2531 7.8224 120.9319 55.8753 18.4695 177.4581 16 G 3.1559 7.0313 107.0532 45.1557 0.0000 173.4282 17 A 4.2082 7.7306 124.1711 51.5768 19.0606 178.2305 18 E 4.2223 8.4006 121.6365 55.7516 31.9838 171.7332 19 R 3.6172 8.6584 132.8931 56.1379 28.0819 175.2398 20 V 4.2419 7.9709 123.9095 61.1767 33.7394 174.5073 21 S 4.8219 7.9943 115.8384 55.9775 64.8860 174.5372 22 D 4.3456 8.6424 126.1750 57.3395 40.4841 178.5434 23 D 4.3235 8.1384 118.2107 57.1546 41.3017 177.8951 24 A 3.9260 8.1580 121.4641 55.4465 18.6335 179.8866 25 R 3.9121 7.9363 115.7350 59.2884 30.1237 179.2401 26 I 3.8856 7.6742 119.1200 64.1794 37.2898 178.4231 27 T 3.8350 7.8666 116.6758 66.4727 68.2730 176.3453 28 L 3.8870 7.8277 121.7121 58.2699 42.2360 178.9565 29 A 4.1012 7.8997 120.0869 54.8130 18.3068 179.4507 30 K 3.9746 8.4082 118.8962 60.0512 32.3100 178.2035 31 I 3.7388 8.3475 120.8340 64.2487 36.8850 178.0908 32 L 4.0129 8.7868 120.6394 57.9617 41.6912 179.4530 33 E 4.1485 8.1903 119.2395 58.9748 29.5556 178.5256 34 E 3.9501 8.1023 118.6089 59.5929 29.3998 179.2728 35 M 4.0455 8.0968 118.8755 58.2734 32.0577 179.0714 36 G 3.6162 8.5458 106.3118 47.8113 0.0000 175.7079 37 R 3.9708 8.3971 121.4754 59.0257 30.1117 178.1073 38 D 4.3903 7.8743 117.5489 57.5805 41.2731 178.4380 39 I 3.9481 8.5504 120.2983 64.6501 36.9461 177.4158 40 A 4.0715 8.3288 122.4363 55.1326 18.1721 179.2265 41 S 4.0916 8.5993 110.8028 60.4636 62.6242 176.7944 42 E 3.8330 8.1546 121.1935 59.5326 29.4643 178.8062 43 A 4.2068 8.2518 120.5619 54.1910 18.3450 179.2429 44 I 3.8703 7.7148 118.7011 63.5662 37.9763 178.0275 45 K 4.1845 8.3542 120.0677 58.5997 31.8240 178.8039 46 L 3.9471 8.3039 119.7811 58.1782 41.8155 178.9405 47 A 4.0686 7.8835 119.6547 54.1345 18.2931 179.1221 48 R 4.0613 8.4054 117.7629 58.8295 30.2539 177.7721 49 H 4.1556 8.0662 117.2358 58.9807 29.8335 176.7670 50 A 4.1488 7.9298 122.2501 54.3679 18.2720 178.8626 51 G 3.8385 8.1452 103.5634 45.6118 0.0000 172.7170 52 R 4.6975 7.6597 119.8957 54.1862 32.8538 174.6587 53 K 4.3457 8.5697 115.2118 58.0018 33.9453 177.0502 54 T 4.2866 7.6927 115.4168 62.3974 68.8190 174.6718 55 I 4.1498 8.1759 127.8162 60.9238 38.1604 175.1815 56 K 4.6731 8.9794 122.5063 53.7134 35.7818 177.0847 57 A 4.0894 8.4018 120.2095 54.9671 17.9677 179.4996 58 E 3.8358 8.0653 117.9367 59.6647 29.8935 178.4925 59 D 4.4254 7.9952 118.9430 57.3959 40.7441 178.8569 60 I 3.6996 7.7036 119.9307 64.2772 37.1424 177.8576 61 E 3.8138 7.8855 119.8238 59.1430 29.4632 178.7843 62 L 4.0466 8.4250 118.9953 57.0965 41.9693 179.0149 63 A 3.6847 7.9794 121.0071 54.9464 18.3586 180.1321 64 V 3.5755 8.2898 118.1457 65.2077 31.5347 178.6084 65 R 3.9278 7.7382 118.7747 58.5947 29.8845 178.0199 66 R 3.9820 8.1690 118.3734 60.0098 30.0872 177.7046 67 F 4.5617 7.9084 117.0324 57.9393 38.7890 175.5614 68 K 4.3285 7.9204 128.5643 57.0156 36.1506 175.1932 69 K 4.2039 8.1397 123.7875 55.9431 32.6349 175.6889 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 M 8.29 4.46 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 2 E 7.96 4.23 0.00 2.17 2.05 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 2.21 2.34 0.00 3 L 7.71 3.52 0.00 1.81 1.74 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.26 0.00 2.21 2.21 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 5 I 8.27 4.02 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 1.57 0.87 0.91 0.00 0.00 6 A 7.83 4.10 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 7 P 0.00 4.17 0.00 2.27 2.32 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 8 I 7.74 3.90 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 1.45 0.69 0.91 0.00 0.00 9 G 8.20 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.33 0.00 1.87 1.98 0.00 3.14 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 11 I 7.70 3.66 2.07 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 1.52 1.05 0.91 0.00 0.00 12 I 8.36 4.02 1.92 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 1.52 0.81 0.91 0.00 0.00 13 K 8.43 4.04 0.00 1.88 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 14 D 7.92 4.34 0.00 2.85 2.90 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 15 A 7.82 4.25 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 16 G 7.03 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 0.00 0.00 0.00 17 A 7.73 4.21 1.32 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 0.00 0.00 18 E 8.40 4.22 0.00 1.88 1.80 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 2.19 2.24 0.00 19 R 8.66 3.62 0.00 1.96 1.97 0.00 3.32 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 20 V 7.97 4.24 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 0.79 0.00 0.00 0.93 0.00 0.00 21 S 7.99 4.82 0.00 3.85 3.64 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 0.00 0.00 0.00 0.00 22 D 8.64 4.35 0.00 2.80 2.70 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 0.00 0.00 0.00 0.00 23 D 8.14 4.32 0.00 2.78 2.66 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 0.00 0.00 0.00 0.00 24 A 8.16 3.93 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 25 R 7.94 3.91 0.00 1.86 1.99 0.00 3.12 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 26 I 7.67 3.89 1.92 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 1.52 0.65 0.91 0.00 0.00 27 T 7.87 3.84 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 1.20 0.00 0.00 28 L 7.83 3.89 0.00 1.96 1.66 0.91 1.19 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 29 A 7.90 4.10 1.50 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 0.00 0.00 30 K 8.41 3.97 0.00 2.02 1.86 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.47 7.81 31 I 8.35 3.74 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 0.89 0.00 0.00 32 L 8.79 4.01 0.00 1.69 1.72 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.19 4.15 0.00 2.08 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 0.00 2.30 2.49 0.00 34 E 8.10 3.95 0.00 2.48 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 0.00 2.30 2.37 0.00 35 M 8.10 4.05 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.40 0.00 36 G 8.55 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.40 3.97 0.00 2.02 1.96 0.00 3.29 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 38 D 7.87 4.39 0.00 2.90 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 39 I 8.55 3.95 1.98 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 1.92 1.10 0.93 0.00 0.00 40 A 8.33 4.07 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 41 S 8.60 4.09 0.00 3.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.83 0.00 2.28 1.71 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 1.47 1.96 0.00 43 A 8.25 4.21 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 44 I 7.71 3.87 2.04 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 1.41 0.68 0.92 0.00 0.00 45 K 8.35 4.18 0.00 2.05 1.78 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.53 7.81 46 L 8.30 3.95 0.00 1.77 1.66 0.87 0.48 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 47 A 7.88 4.07 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 48 R 8.41 4.06 0.00 2.04 1.93 0.00 3.15 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 49 H 8.07 4.16 0.00 3.32 3.45 0.00 6.01 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.93 4.15 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 51 G 8.15 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 52 R 7.66 4.70 0.00 1.75 1.83 0.00 3.21 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 53 K 8.57 4.35 0.00 1.74 1.79 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.41 7.81 54 T 7.69 4.29 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 55 I 8.18 4.15 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 1.63 0.46 0.96 0.00 0.00 56 K 8.98 4.67 0.00 1.83 1.68 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.59 7.81 57 A 8.40 4.09 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 58 E 8.07 3.84 0.00 2.04 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 0.00 2.36 2.39 0.00 59 D 8.00 4.43 0.00 3.00 2.87 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 60 I 7.70 3.70 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 1.53 0.77 0.92 0.00 0.00 61 E 7.89 3.81 0.00 2.21 1.97 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 2.30 2.42 0.00 62 L 8.42 4.05 0.00 1.63 1.63 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.98 3.68 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.29 3.58 2.16 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 0.83 0.00 0.00 1.04 0.00 0.00 65 R 7.74 3.93 0.00 1.85 2.09 0.00 3.32 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 1.64 1.68 0.00 66 R 8.17 3.98 0.00 1.78 1.88 0.00 3.30 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 1.44 1.62 0.00 67 F 7.91 4.56 0.00 3.35 2.83 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 68 K 7.92 4.33 0.00 1.88 1.90 0.00 1.53 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.22 7.81 69 K 8.14 4.20 0.00 1.86 1.80 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.40 7.81