NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4234 8.3193 115.2898 58.1764 63.4951 172.5744 3 I 4.5705 7.9247 119.1444 57.4899 40.6102 173.5363 4 S 4.4065 8.9006 115.9559 58.1944 64.6404 175.4798 5 A 3.9148 7.9731 123.5533 52.6553 18.4675 177.6486 6 R 3.9008 8.6860 122.0434 58.4715 30.8061 175.7792 7 N 4.8920 8.0410 115.7717 51.6442 40.2164 174.2217 8 Q 4.8814 8.5220 122.4752 54.1024 32.6158 174.9543 9 L 4.6621 8.9530 124.8800 52.5785 44.2690 176.2464 10 K 4.5654 8.7361 124.0299 56.6399 33.1185 176.7633 11 G 4.1008 9.0085 110.2002 45.7978 0.0000 171.2666 12 K 5.0719 8.4981 120.7658 54.0565 35.0314 175.5123 13 V 4.1892 8.9525 128.2053 63.5536 31.9554 176.3723 14 V 4.3728 9.1409 120.8048 61.2636 33.4064 176.0891 15 G 4.5406 7.7821 107.1774 44.5635 0.0000 172.0244 16 L 5.1371 8.2890 124.7401 53.4931 45.3369 174.6274 17 K 4.5442 9.2120 127.6050 54.6481 35.1482 174.7175 18 K 4.6081 8.8665 127.2870 55.4145 33.3355 176.9006 19 G 4.2965 8.5906 115.5691 44.5829 0.0000 172.8533 20 V 3.8960 8.4124 117.6305 64.3698 32.3906 177.8034 21 V 4.3577 7.7930 118.5626 63.4252 34.1390 175.1233 22 T 5.3345 7.7439 108.4007 59.8169 72.8645 172.4750 23 A 5.0497 8.9954 121.6846 50.4819 23.2157 174.6899 24 E 5.0066 9.2758 122.2863 54.5328 31.8863 174.7443 25 V 4.7433 8.9585 127.5827 61.0547 34.4164 174.1273 26 V 4.8487 8.9564 128.1737 61.1050 33.9953 173.9883 27 L 5.2015 9.1219 127.9627 52.9054 44.5201 174.9833 28 E 4.8683 9.2437 125.3994 55.2528 31.1972 175.6125 29 I 4.6025 8.7662 121.4320 58.6514 41.0537 174.6333 30 A 4.1325 8.4577 124.5370 54.3073 18.3025 177.8178 31 G 3.9107 8.6162 111.1287 44.6762 0.0000 174.6223 32 G 3.9831 8.1527 107.7237 44.7653 0.0000 173.5717 33 N 4.6522 7.8813 116.7439 53.3117 40.0168 173.8442 34 K 5.1438 8.4760 119.4385 54.8911 34.9517 175.8141 35 I 4.5540 8.8018 124.4011 59.8416 40.1217 174.5165 36 T 5.0543 8.5804 123.2249 61.8238 70.7649 173.7424 37 S 4.7347 9.2774 120.4669 56.4493 66.1208 172.5549 38 I 5.0612 8.4879 126.8831 59.6889 39.1276 174.5134 39 I 4.7974 8.4277 120.3854 58.3565 41.4456 175.1058 40 S 4.6718 8.4280 116.0291 57.7897 63.9045 175.0464 41 L 3.9408 8.7211 124.4214 58.4516 41.6909 179.1346 42 D 4.3946 8.1352 118.4537 57.6781 40.7089 178.9365 43 S 4.1756 8.0592 115.2676 61.3222 62.7624 176.7853 44 V 3.5950 7.5485 121.1496 66.0062 30.8529 178.0499 45 E 3.9464 8.0985 118.0338 59.5464 29.1558 179.2244 46 E 3.9953 8.3010 117.6062 59.2657 29.6851 178.8315 47 L 4.2899 8.3134 116.7027 54.2003 42.3950 176.7829 48 G 3.8722 7.6104 106.5580 46.3244 0.0000 174.5707 49 V 3.7727 7.8649 119.2546 62.2063 32.4540 174.9872 50 K 4.6235 8.2163 124.3119 55.0804 35.6130 174.9227 51 E 4.1267 8.6316 119.3976 58.3750 29.6841 178.5163 52 G 3.9619 8.9833 112.6067 44.9344 0.0000 173.7209 53 A 4.1613 7.9008 122.0950 52.0882 19.7438 176.4768 54 E 4.9020 8.6547 120.7740 55.4173 30.6886 175.4884 55 L 4.9467 8.9530 123.9499 53.4553 47.0792 175.2373 56 T 5.1033 8.3471 115.0580 61.9139 71.5862 173.9730 57 A 4.5078 9.0459 128.2934 51.2048 20.4804 176.3645 58 V 5.2049 8.2065 120.3951 60.0005 34.7258 174.9125 59 V 4.4784 8.2104 126.0149 60.7520 34.5413 174.8087 60 K 4.1477 8.7358 129.1294 56.0628 33.1203 177.7074 61 S 4.1189 8.7607 120.4882 61.5689 63.0410 176.1219 62 T 4.0664 7.8616 109.0330 63.3008 68.5856 174.2489 63 D 4.5287 8.0520 121.4807 54.3248 41.3070 176.4485 64 V 4.0239 7.4270 120.3268 61.5406 31.1029 175.4326 65 M 4.3735 8.3423 127.0878 54.8921 32.7835 176.0075 66 I 4.5014 8.1324 121.5368 59.5571 39.7294 175.1179 67 L 4.8117 8.1887 123.3954 52.0607 45.4640 176.3712 68 A 4.1649 8.6413 121.3575 52.9562 18.1975 177.6419 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 S 8.32 4.42 0.00 3.85 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 3 I 7.92 4.57 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 1.47 0.95 0.91 0.00 0.00 4 S 8.90 4.41 0.00 3.99 4.01 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 0.00 0.00 0.00 5 A 7.97 3.91 1.27 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 0.00 0.00 0.00 6 R 8.69 3.90 0.00 1.78 1.97 0.00 3.21 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 7 N 8.04 4.89 0.00 2.86 2.74 0.00 0.00 6.90 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.52 4.88 0.00 1.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.52 0.00 9 L 8.95 4.66 0.00 1.54 1.57 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.74 4.57 0.00 1.64 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 G 9.01 4.10 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 0.00 0.00 0.00 12 K 8.50 5.07 0.00 1.83 1.63 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.49 7.81 13 V 8.95 4.19 2.28 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 1.01 0.00 0.00 0.93 0.00 0.00 14 V 9.14 4.37 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 0.78 0.00 0.00 0.99 0.00 0.00 15 G 7.78 4.54 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 16 L 8.29 5.14 0.00 1.59 1.51 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.21 4.54 0.00 1.81 1.60 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.38 7.81 18 K 8.87 4.61 0.00 1.67 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 19 G 8.59 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.41 3.90 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 0.80 0.00 0.00 0.93 0.00 0.00 21 V 7.79 4.36 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 1.06 0.00 0.00 0.93 0.00 0.00 22 T 7.74 5.33 4.33 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 1.21 0.00 0.00 23 A 9.00 5.05 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.28 5.01 0.00 2.01 1.81 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 2.21 2.22 0.00 25 V 8.96 4.74 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 0.91 0.00 0.00 0.93 0.00 0.00 26 V 8.96 4.85 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 0.77 0.00 0.00 0.93 0.00 0.00 27 L 9.12 5.20 0.00 1.55 1.52 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.24 4.87 0.00 2.01 1.82 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 2.25 2.40 0.00 29 I 8.77 4.60 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 1.36 0.98 0.95 0.00 0.00 30 A 8.46 4.13 1.27 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 0.00 0.00 0.00 31 G 8.62 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 32 G 8.15 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.88 4.65 0.00 2.69 2.75 0.00 0.00 6.99 7.68 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 34 K 8.48 5.14 0.00 1.61 1.70 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.43 7.81 35 I 8.80 4.55 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 1.23 0.95 0.91 0.00 0.00 36 T 8.58 5.05 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 1.25 0.00 0.00 37 S 9.28 4.73 0.00 3.81 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 38 I 8.49 5.06 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 1.40 0.78 0.91 0.00 0.00 39 I 8.43 4.80 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 1.28 1.14 0.91 0.00 0.00 40 S 8.43 4.67 0.00 4.02 4.03 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 41 L 8.72 3.94 0.00 1.76 1.70 0.92 1.54 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 42 D 8.14 4.39 0.00 2.72 2.71 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 0.00 0.00 0.00 43 S 8.06 4.18 0.00 4.05 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 44 V 7.55 3.59 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 1.03 0.00 0.00 0.93 0.00 0.00 45 E 8.10 3.95 0.00 2.25 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 2.33 2.55 0.00 46 E 8.30 4.00 0.00 1.90 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 2.34 2.66 0.00 47 L 8.31 4.29 0.00 1.64 1.71 0.92 0.79 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 48 G 7.61 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 49 V 7.86 3.77 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 0.81 0.00 0.00 0.93 0.00 0.00 50 K 8.22 4.62 0.00 1.92 1.83 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.52 1.46 7.81 51 E 8.63 4.13 0.00 2.02 1.93 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 2.40 2.27 0.00 52 G 8.98 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 53 A 7.90 4.16 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 54 E 8.65 4.90 0.00 1.86 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 2.26 2.33 0.00 55 L 8.95 4.95 0.00 1.53 1.52 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.35 5.10 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 57 A 9.05 4.51 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.21 5.20 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 1.24 0.00 0.00 0.93 0.00 0.00 59 V 8.21 4.48 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 0.84 0.00 0.00 0.93 0.00 0.00 60 K 8.74 4.15 0.00 1.83 1.66 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 61 S 8.76 4.12 0.00 4.04 4.11 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 T 7.86 4.07 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 63 D 8.05 4.53 0.00 2.82 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 64 V 7.43 4.02 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 0.77 0.00 0.00 0.98 0.00 0.00 65 M 8.34 4.37 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 66 I 8.13 4.50 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 1.41 0.88 0.91 0.00 0.00 67 L 8.19 4.81 0.00 1.58 1.53 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.64 4.16 1.24 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 0.00 0.00 0.00