NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 H 4.7476 8.2876 116.3467 55.4734 29.9575 174.1391 26 H 4.1042 8.5597 119.9398 57.7684 28.9792 175.6836 27 Y 3.3142 7.6100 120.0586 61.0237 38.2210 179.3986 28 A 3.6815 7.0282 118.6074 55.6330 18.4204 178.7894 29 M 4.3545 7.9658 114.4021 56.3522 32.5318 177.6172 30 W 4.3971 9.2872 120.7979 57.2203 29.5381 177.6461 31 D 4.6138 8.2626 119.6865 56.7858 38.3930 178.7621 32 A 3.9471 8.0457 121.4218 54.5832 18.5906 178.8756 33 A 3.8781 8.0076 118.9341 55.6869 18.4113 178.9350 34 Y 4.0630 8.1907 117.8081 61.1496 38.7338 178.7065 35 V 3.5393 7.8477 117.4243 65.4526 31.7422 177.1101 36 L 4.2961 8.4931 116.9278 54.5541 41.6236 177.5116 37 G 3.7287 7.5277 106.5647 46.1296 0.0000 174.3319 38 A 4.3728 7.9030 120.7956 51.6947 19.4835 178.3807 39 L 4.0190 7.6020 117.2341 53.7295 42.4133 177.7638 40 S 4.2677 8.5383 118.5069 58.4662 64.8380 175.3025 41 A 4.0686 8.5123 123.3868 55.2512 18.0877 179.9034 42 A 4.0462 7.9652 118.9462 55.4050 18.5084 179.4857 43 D 4.5992 8.2086 117.5328 57.3635 40.7932 178.8238 44 R 4.1921 8.5449 119.7467 59.8220 30.1326 178.8595 45 R 3.9794 8.0670 117.4594 59.0313 29.9556 178.4995 46 E 3.9649 8.3649 119.2839 59.5122 29.5971 178.8325 47 F 3.9330 8.8294 120.8902 61.2528 39.2289 176.9652 48 E 3.6318 8.3253 117.4167 58.9441 29.4575 178.9308 49 A 4.0070 8.0035 120.8710 55.5036 18.1466 178.9528 50 H 3.8178 7.9562 116.7392 59.5282 29.7671 177.3299 51 L 3.5403 7.6755 120.6484 57.4441 41.0682 179.3100 52 A 4.0862 7.5482 119.8269 53.8065 18.3919 178.2081 53 G 4.0478 7.4184 105.3856 45.1116 0.0000 173.8268 54 C 4.5324 7.5750 120.2938 55.1731 32.3308 171.8418 55 P 4.1699 0.0000 0.0000 65.1081 30.9011 177.7082 56 E 3.9335 8.0361 116.8822 59.6546 29.5750 178.7009 57 C 4.1762 8.0608 116.1891 62.8850 28.3060 175.8436 58 R 3.8772 8.1695 120.5064 59.6488 29.5683 178.8127 59 G 3.6262 8.0758 104.9107 47.3003 0.0000 175.6057 60 A 4.2082 8.0034 122.6133 55.4009 18.7957 179.8307 61 V 3.8702 8.0992 110.9817 64.9182 31.4655 178.7971 62 T 3.9393 7.9448 115.3745 66.9369 68.0685 176.3809 63 E 4.1244 8.1622 119.3591 58.6661 29.7098 178.3830 64 L 4.5515 7.9008 117.2462 54.9728 42.1333 177.8812 65 C 4.4012 7.7745 113.3148 60.2025 29.5387 175.0557 66 G 3.8216 7.9496 107.3308 45.8494 0.0000 175.6849 67 V 3.7028 7.9927 121.6365 65.3839 31.5681 175.9140 68 P 4.2125 0.0000 0.0000 65.7000 30.9676 178.1499 69 A 3.9724 8.0159 117.6962 55.2901 18.4689 179.2399 70 L 4.1203 7.5414 116.0346 57.8365 41.7665 179.4198 71 L 4.0431 8.4956 119.5287 57.7768 41.3609 179.2185 72 S 4.3874 8.1038 112.0376 60.0168 63.1260 175.7295 73 Q 4.1358 7.9167 121.4435 56.7781 28.8661 175.6413 74 L 4.9408 6.9468 119.0974 52.9627 44.5472 176.3055 75 D 4.8322 8.8653 121.6387 53.0519 43.6327 178.3078 76 R 3.9817 8.4065 118.2116 59.4804 29.2648 178.9176 77 D 4.2993 7.9978 119.2743 57.2747 41.0386 178.0398 78 E 3.9433 8.1830 118.5787 59.5738 29.6276 179.5068 79 V 3.5591 7.7171 117.5421 66.0064 31.5555 177.8273 80 A 3.9972 8.4482 120.6806 55.1925 18.0773 179.4725 81 A 3.9485 8.2241 119.2728 55.2868 18.1702 179.9303 82 I 3.6865 7.3994 117.5211 64.5641 37.4076 178.6255 83 S 4.2286 7.9794 115.5264 61.7675 62.5697 176.3521 84 E 3.9652 8.1103 120.2535 59.3829 29.3125 178.6487 85 S 4.4859 7.5655 109.6897 58.1897 62.6250 173.6626 86 A 4.1589 7.9898 128.8351 53.1191 18.1194 177.4984 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 25 H 8.29 4.75 0.00 3.24 3.46 0.00 5.43 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.56 4.10 0.00 3.40 3.47 0.00 5.50 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.61 3.31 0.00 2.50 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 28 A 7.03 3.68 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 29 M 7.97 4.35 0.00 2.13 2.44 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.78 0.00 30 W 9.29 4.40 0.00 2.47 2.33 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 31 D 8.26 4.61 0.00 3.02 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 32 A 8.05 3.95 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 33 A 8.01 3.88 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 34 Y 8.19 4.06 0.00 3.05 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.85 3.54 2.31 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 0.91 0.00 0.00 1.11 0.00 0.00 36 L 8.49 4.30 0.00 1.58 1.66 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.53 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 4.37 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 39 L 7.60 4.02 0.00 1.66 1.66 0.53 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.54 4.27 0.00 4.03 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 41 A 8.51 4.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 4.05 1.38 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 0.00 0.00 0.00 43 D 8.21 4.60 0.00 2.79 2.54 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 44 R 8.54 4.19 0.00 2.06 2.19 0.00 3.16 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 1.85 2.04 0.00 45 R 8.07 3.98 0.00 2.01 2.01 0.00 3.36 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 46 E 8.36 3.96 0.00 2.39 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 47 F 8.83 3.93 0.00 3.50 3.26 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 0.00 0.00 0.00 0.00 48 E 8.33 3.63 0.00 1.97 1.96 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 2.41 2.71 0.00 49 A 8.00 4.01 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 50 H 7.96 3.82 0.00 2.44 2.67 0.00 5.79 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 51 L 7.68 3.54 0.00 1.44 1.35 0.23 0.38 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 52 A 7.55 4.09 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 53 G 7.42 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 0.00 0.00 0.00 54 C 7.58 4.53 0.00 2.62 2.39 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 55 P 0.00 4.17 0.00 2.17 2.09 0.00 3.59 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 2.09 2.16 0.00 56 E 8.04 3.93 0.00 2.06 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 2.42 2.40 0.00 57 C 8.06 4.18 0.00 3.02 2.99 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 0.00 0.00 0.00 58 R 8.17 3.88 0.00 1.85 2.03 0.00 3.02 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 59 G 8.08 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.21 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 3.87 2.31 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 1.15 0.00 0.00 1.06 0.00 0.00 62 T 7.94 3.94 4.46 0.00 0.00 0.00 0.00 0.00 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 63 E 8.16 4.12 0.00 2.20 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 2.37 2.64 0.00 64 L 7.90 4.55 0.00 1.77 1.73 1.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 65 C 7.77 4.40 0.00 3.21 3.24 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 66 G 7.95 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 0.00 0.00 0.00 67 V 7.99 3.70 2.21 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 0.86 0.00 0.00 0.95 0.00 0.00 68 P 0.00 4.21 0.00 2.18 2.07 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 69 A 8.02 3.97 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 70 L 7.54 4.12 0.00 1.88 1.72 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.50 4.04 0.00 1.95 1.72 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.10 4.39 0.00 4.00 4.06 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 73 Q 7.92 4.14 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 74 L 6.95 4.94 0.00 1.57 1.55 0.92 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.87 4.83 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 3.98 0.00 2.02 2.19 0.00 2.96 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 77 D 8.00 4.30 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 78 E 8.18 3.94 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 2.40 2.38 0.00 79 V 7.72 3.56 2.21 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 1.00 0.00 0.00 1.00 0.00 0.00 80 A 8.45 4.00 1.38 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 0.00 0.00 0.00 81 A 8.22 3.95 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 82 I 7.40 3.69 2.03 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 0.72 0.91 0.00 0.00 83 S 7.98 4.23 0.00 4.05 3.90 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 84 E 8.11 3.97 0.00 1.93 2.04 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 2.35 2.34 0.00 85 S 7.57 4.49 0.00 3.79 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 86 A 7.99 4.16 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