NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1838 8.2549 119.6876 54.8792 31.8687 175.0456 2 P 4.0089 0.0000 0.0000 62.2568 31.8008 176.3710 3 D 4.3866 8.3818 121.7148 57.0476 41.7660 178.6277 4 F 4.3170 7.9000 114.7104 59.7504 37.5582 177.8304 5 C 4.7012 7.4735 116.0025 59.1830 40.0241 174.7391 6 L 4.3074 7.8604 118.8613 54.1426 42.0609 176.5535 7 E 4.3308 7.5433 119.6390 54.7284 30.2895 174.9871 8 P 4.4037 0.0000 0.0000 61.5172 32.0978 174.3664 9 P 3.5392 0.0000 0.0000 62.7241 31.3164 175.2040 10 Y 4.6331 7.8344 121.4306 56.0701 40.4315 175.3631 11 T 4.1447 8.2993 125.2702 65.2684 68.8389 175.9668 12 G 3.6856 6.8322 105.1490 43.9901 0.0000 171.1191 13 P 4.3513 0.0000 0.0000 64.5488 31.8900 177.6320 14 C 4.5208 7.8760 116.5808 57.1071 40.7033 173.0717 15 E 4.3083 8.3231 118.8329 56.2130 29.3784 176.3426 16 A 4.3183 7.8095 121.4122 51.0118 21.1106 177.7705 17 R 4.7041 8.0465 117.6245 54.4632 29.5954 172.8728 18 I 4.3862 8.2782 122.2819 59.0597 39.6836 175.2828 19 I 4.1954 8.2964 128.5811 61.3410 37.6198 175.5032 20 R 4.8601 8.4059 124.9239 54.7513 35.1692 173.4762 21 Y 5.6017 9.5494 117.8773 56.5664 41.1820 175.2905 22 F 5.7525 9.5495 116.9431 55.4466 42.0642 172.8238 23 Y 4.4743 10.0319 122.6983 57.0978 40.2107 173.9654 24 N 4.7872 8.0231 125.8115 51.3435 38.7204 174.6605 25 A 3.8082 8.3140 129.3673 54.9550 18.7998 178.9421 26 K 4.0353 7.9994 114.1041 59.0827 32.1632 178.0611 27 A 4.1832 7.9734 119.5638 51.9834 19.5008 177.9370 28 G 3.9728 8.8937 103.7017 45.1112 0.0000 172.6423 29 L 4.8021 6.8277 118.4576 54.2262 44.4214 175.1165 30 C 4.9211 8.6511 116.7096 56.3455 39.8827 173.1437 31 Q 4.8816 8.6183 123.9260 54.2925 32.4226 174.4018 32 T 4.8853 8.4559 113.0915 61.3716 70.6791 173.3733 33 F 4.9778 8.9050 116.9469 56.1368 42.0570 172.7979 34 V 4.4012 8.4131 119.6177 61.8338 31.8971 174.0896 35 Y 4.7738 8.8290 130.1434 56.0226 40.2563 176.5453 36 G 3.6686 8.2977 113.7553 46.5000 0.0000 175.0478 37 G 3.7746 6.2152 107.2706 45.2661 0.0000 172.4380 38 C 5.0202 6.7934 111.3984 54.4627 44.5792 173.1520 39 R 3.8584 8.8715 116.4955 57.0237 27.0392 176.7979 40 A 4.1788 8.4054 119.4695 52.5367 18.8828 178.6288 41 K 4.3113 8.3319 121.4158 55.0827 33.6686 177.3843 42 R 3.4702 8.0055 118.0251 58.8197 30.3913 177.5722 43 N 4.8053 7.7276 118.1530 51.4850 37.4902 174.6047 44 N 5.1197 6.6481 116.6233 52.7840 41.5425 173.0263 45 F 5.0357 9.6202 124.7891 55.6819 42.4389 176.4449 46 K 4.5848 8.8319 121.2856 57.7789 32.8639 177.6631 47 S 4.4441 7.6962 112.9762 55.5274 67.1848 174.6070 48 A 3.3765 7.3019 124.6437 54.8301 18.0189 179.8088 49 E 3.7256 7.7664 117.4146 59.5067 29.8432 178.5327 50 D 4.2691 7.8564 118.8674 57.4627 40.8551 178.0352 51 C 2.4500 7.5299 118.1901 59.1254 44.7811 175.7207 52 L 3.7895 7.9254 120.8220 57.7345 40.9284 179.6907 53 R 3.9099 7.9430 117.2396 58.6621 30.0098 178.2541 54 T 4.3442 7.1632 113.8961 64.3879 69.6403 174.7309 55 C 4.5199 8.1784 115.6999 55.5514 42.0389 173.9735 56 G 3.8093 7.4212 109.5091 47.4758 0.0000 174.0947 57 G 3.8530 8.9289 112.5156 45.0820 0.0000 173.0205 58 A 4.0759 7.2352 127.4205 52.3279 18.2745 177.4678 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 R 8.25 4.18 0.00 1.65 1.69 0.00 3.34 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 2 P 0.00 4.01 0.00 0.66 1.50 0.00 3.36 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 1.88 2.02 0.00 3 D 8.38 4.39 0.00 2.68 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 4 F 7.90 4.32 0.00 3.22 3.35 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 5 C 7.47 4.70 0.00 2.99 3.22 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 6 L 7.86 4.31 0.00 1.74 1.76 0.94 1.31 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 7 E 7.54 4.33 0.00 2.21 1.90 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 2.42 2.44 0.00 8 P 0.00 4.40 0.00 2.07 2.01 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.54 0.00 0.75 0.49 0.00 3.26 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 0.00 10 Y 7.83 4.63 0.00 2.79 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 11 T 8.30 4.14 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 1.17 0.00 0.00 12 G 6.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.35 0.00 2.18 2.19 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.88 4.52 0.00 2.80 2.95 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 0.00 0.00 0.00 15 E 8.32 4.31 0.00 1.87 1.88 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 2.16 2.21 0.00 16 A 7.81 4.32 1.16 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 17 R 8.05 4.70 0.00 1.72 1.75 0.00 3.19 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 18 I 8.28 4.39 2.00 0.00 0.00 0.79 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 0.56 0.98 0.00 0.00 19 I 8.30 4.20 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.41 0.70 0.00 0.00 20 R 8.41 4.86 0.00 0.80 1.88 0.00 3.44 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 21 Y 9.55 5.60 0.00 3.17 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 22 F 9.55 5.75 0.00 3.09 2.91 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 23 Y 10.03 4.47 0.00 3.09 3.03 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 24 N 8.02 4.79 0.00 2.24 2.43 0.00 0.00 6.71 8.72 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 25 A 8.31 3.81 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 26 K 8.00 4.04 0.00 1.89 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.39 7.81 27 A 7.97 4.18 1.17 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 28 G 8.89 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.83 4.80 0.00 1.69 1.72 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.65 4.92 0.00 2.90 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 31 Q 8.62 4.88 0.00 1.77 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 32 T 8.46 4.89 4.04 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 0.76 0.00 0.00 33 F 8.90 4.98 0.00 3.01 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 34 V 8.41 4.40 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 0.71 0.00 0.00 0.91 0.00 0.00 35 Y 8.83 4.77 0.00 2.51 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 36 G 8.30 3.67 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 0.00 0.00 0.00 37 G 6.22 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.79 5.02 0.00 3.06 2.98 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 39 R 8.87 3.86 0.00 2.25 2.27 0.00 3.28 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.41 4.18 0.94 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 41 K 8.33 4.31 0.00 1.72 1.67 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.07 7.81 42 R 8.01 3.47 0.00 0.90 0.66 0.00 2.58 0.00 0.00 2.92 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.26 0.00 43 N 7.73 4.81 0.00 3.21 2.89 0.00 0.00 6.69 7.79 0.00 0.00 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 N 6.65 5.12 0.00 2.67 2.54 0.00 0.00 7.08 7.02 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 45 F 9.62 5.04 0.00 3.28 2.98 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 46 K 8.83 4.58 0.00 1.84 1.95 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 47 S 7.70 4.44 0.00 3.84 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 48 A 7.30 3.38 0.94 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 49 E 7.77 3.73 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 50 D 7.86 4.27 0.00 2.97 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 51 C 7.53 2.45 0.00 2.73 3.03 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 52 L 7.93 3.79 0.00 1.71 1.61 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.94 3.91 0.00 1.83 1.94 0.00 3.10 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 54 T 7.16 4.34 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 1.63 0.00 0.00 55 C 8.18 4.52 0.00 2.71 2.27 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 56 G 7.42 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 57 G 8.93 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 58 A 7.24 4.08 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00