NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3120 8.2493 123.5827 52.1939 19.8104 174.4014 3 K 4.5042 7.4319 119.9953 54.1127 36.1845 173.6664 4 H 4.2065 9.2122 121.3370 58.0180 30.5933 174.8867 5 P 4.4490 0.0000 0.0000 62.6376 32.6075 176.2145 6 V 4.5010 7.8910 120.4045 60.1112 34.6878 172.8931 7 P 4.3352 0.0000 0.0000 62.8201 31.4995 176.5479 8 K 4.1610 8.6207 123.4994 58.4003 32.6386 176.7335 9 K 4.6153 7.5431 116.0509 54.2998 36.0427 175.5271 10 K 3.9415 8.5695 123.7379 56.8492 32.6278 176.4693 11 T 4.0985 8.3603 123.0239 62.9384 69.1684 175.3598 12 S 4.2913 8.5568 121.6020 58.3196 64.9612 175.3861 13 K 3.9140 8.7160 122.6730 59.6951 31.7522 179.4043 14 A 3.9540 7.8939 120.4152 55.3280 18.2247 179.5550 15 R 3.8785 7.9185 115.8177 58.9664 30.4020 178.4961 16 R 4.0008 8.3710 119.2901 59.6283 30.1921 178.2398 17 D 4.3387 8.4937 118.8866 57.3066 40.8292 178.6976 18 A 4.0198 8.2494 121.3625 55.0351 18.0791 179.6482 19 R 3.9677 7.5760 116.2115 59.0374 30.4221 177.8703 20 R 3.9517 7.6185 116.6420 55.9254 29.8952 178.2106 21 S 4.3230 7.5999 115.1706 61.2098 62.8027 174.9722 22 H 4.6995 8.0216 116.0013 56.2161 29.0994 176.2200 23 H 4.2094 8.6590 116.9598 57.2935 28.7877 175.6458 24 A 3.9284 7.0393 122.2707 52.5217 18.6114 176.6918 25 L 4.3725 8.2899 123.2797 54.1327 43.3473 175.6305 26 T 4.4313 8.1673 119.5796 59.5567 68.4048 172.6206 27 P 4.3570 0.0000 0.0000 62.0231 31.9912 174.2701 28 P 4.3774 0.0000 0.0000 62.6619 31.9414 176.0498 29 T 4.1856 8.4288 112.5550 61.2228 69.5330 173.6143 30 L 4.9917 8.2739 124.9945 52.9084 45.8495 175.8960 31 V 4.6446 8.4112 112.9945 58.9035 36.2786 173.3357 32 P 4.5754 0.0000 0.0000 62.6307 32.1180 175.9757 33 C 4.3671 8.4918 125.0900 57.9901 31.6877 171.6094 34 P 4.2347 0.0000 0.0000 67.2332 30.3619 175.4970 35 E 4.5555 9.1854 126.7504 54.8887 26.5994 175.2701 36 C 4.3125 8.2428 113.6701 56.4646 29.8783 174.6417 37 K 3.9585 9.0923 121.3720 60.5524 32.5232 176.9070 38 A 3.8347 7.2957 121.9936 49.8177 19.3427 175.9181 39 M 5.2296 8.2836 120.9501 53.9244 34.8470 175.1411 40 K 4.7639 8.4613 118.7977 54.9103 36.5727 173.5168 41 P 5.0464 0.0000 0.0000 61.2652 32.4076 174.4250 42 P 4.2633 0.0000 0.0000 63.9906 31.7831 176.0267 43 H 4.0335 8.5729 113.3727 56.4988 26.3226 174.7443 44 T 4.4969 7.2472 107.0498 59.6222 71.0840 174.1499 45 V 3.9185 8.2075 123.6134 61.9892 31.1309 174.4384 46 C 4.6307 8.3818 128.4564 56.7396 32.6915 172.5584 47 P 4.1759 0.0000 0.0000 65.9749 31.2075 176.4900 48 E 4.2716 7.4725 120.3578 55.1599 28.0732 175.2356 49 C 4.1307 9.4669 110.2961 56.9201 29.5814 176.0888 50 G 3.9070 7.8357 109.3638 47.1490 0.0000 171.2166 51 Y 4.6651 8.7362 120.7023 58.0873 38.9645 177.4461 52 Y 4.3281 7.1274 113.5423 55.8983 40.2814 173.8369 53 A 4.3758 6.7115 132.0548 52.9122 23.1423 179.9568 54 G 4.0788 9.1360 113.3578 46.5322 0.0000 171.5157 55 R 4.3872 7.6807 123.8921 54.5217 34.1252 175.6282 56 K 4.2330 8.0082 122.0205 57.0014 31.7107 176.2832 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 A 8.25 4.31 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 3 K 7.43 4.50 0.00 1.91 1.79 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.30 1.63 7.81 4 H 9.21 4.21 0.00 3.12 3.15 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.45 0.00 2.08 1.95 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 6 V 7.89 4.50 2.09 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 0.84 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.34 0.00 2.22 2.05 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 8 K 8.62 4.16 0.00 1.72 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.54 4.62 0.00 1.73 1.63 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 K 8.57 3.94 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.47 7.81 11 T 8.36 4.10 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 1.23 0.00 0.00 12 S 8.56 4.29 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.72 3.91 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 7.89 3.95 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 15 R 7.92 3.88 0.00 1.81 1.96 0.00 3.27 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 R 8.37 4.00 0.00 1.87 2.12 0.00 3.15 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 17 D 8.49 4.34 0.00 2.73 2.68 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 0.00 0.00 0.00 18 A 8.25 4.02 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 19 R 7.58 3.97 0.00 1.90 2.18 0.00 3.24 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 20 R 7.62 3.95 0.00 1.92 1.73 0.00 3.14 0.00 0.00 3.18 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.64 0.00 21 S 7.60 4.32 0.00 3.88 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 22 H 8.02 4.70 0.00 3.26 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.66 4.21 0.00 3.24 3.38 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.04 3.93 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.29 4.37 0.00 1.62 1.57 0.92 0.92 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 26 T 8.17 4.43 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 27 P 0.00 4.36 0.00 2.08 1.99 0.00 3.73 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 2.03 2.09 0.00 28 P 0.00 4.38 0.00 2.18 2.06 0.00 3.76 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 1.99 1.95 0.00 29 T 8.43 4.19 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 30 L 8.27 4.99 0.00 1.60 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.41 4.64 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 0.85 0.00 0.00 0.97 0.00 0.00 32 P 0.00 4.58 0.00 1.94 1.99 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 33 C 8.49 4.37 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.26 2.14 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 35 E 9.19 4.56 0.00 2.01 2.24 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 2.05 1.91 0.00 36 C 8.24 4.31 0.00 3.14 3.27 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 37 K 9.09 3.96 0.00 1.88 1.99 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 38 A 7.30 3.83 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 39 M 8.28 5.23 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 40 K 8.46 4.76 0.00 1.82 1.86 0.00 1.34 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 41 P 0.00 5.05 0.00 2.10 2.10 0.00 3.38 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 42 P 0.00 4.26 0.00 2.25 2.21 0.00 3.97 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 2.13 2.02 0.00 43 H 8.57 4.03 0.00 3.31 3.40 0.00 5.64 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.25 4.50 4.23 0.00 0.00 0.00 0.00 0.00 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 45 V 8.21 3.92 2.10 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 0.89 0.00 0.00 0.90 0.00 0.00 46 C 8.38 4.63 0.00 3.00 2.79 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 0.00 0.00 0.00 0.00 47 P 0.00 4.18 0.00 2.22 2.23 0.00 3.83 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 2.01 2.04 0.00 48 E 7.47 4.27 0.00 1.96 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 2.35 2.25 0.00 49 C 9.47 4.13 0.00 3.15 3.30 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 50 G 7.84 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 51 Y 8.74 4.67 0.00 2.90 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 0.00 0.00 0.00 0.00 52 Y 7.13 4.33 0.00 1.43 1.61 0.00 0.00 0.00 0.00 0.00 0.00 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 6.71 4.38 1.03 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 0.00 0.00 54 G 9.14 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.68 4.39 0.00 1.76 1.85 0.00 3.39 0.00 0.00 3.42 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 56 K 8.01 4.23 0.00 1.94 1.87 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.42 7.81