NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2503 8.3149 120.1332 55.9099 34.4077 175.7305 2 N 4.5243 7.8187 117.2140 50.9745 39.1719 172.2805 3 E 4.1274 8.9568 124.2057 57.8378 30.9857 176.3799 4 D 4.3618 7.9907 116.7319 55.0241 41.2727 174.4715 5 Q 3.7474 7.3931 121.2654 57.1970 29.9145 173.9417 6 E 4.3317 7.5687 116.3008 55.8573 27.9901 178.0213 7 M 3.8088 7.6892 119.2258 58.0450 32.7818 177.9830 8 C 4.6591 7.5970 118.5556 55.4057 42.7899 172.5633 9 H 4.5825 8.4854 122.6704 55.9784 31.1242 175.7600 10 E 3.8135 8.3660 119.4599 59.0323 29.3064 177.7323 11 F 3.3763 8.1250 116.2647 58.8552 39.8743 177.1313 12 Q 4.0073 7.5136 120.9887 59.1522 28.7489 178.8840 13 A 4.0112 7.4161 118.6302 54.5792 18.7819 177.5837 14 F 4.9386 8.7304 115.3905 57.4661 38.8924 174.7523 15 M 4.5376 7.9011 119.6587 53.7601 31.7755 176.3911 16 K 4.3569 10.0539 127.5272 55.6645 31.4084 175.4819 17 N 4.0537 9.4703 126.1984 53.9597 35.7658 175.5046 18 G 3.8784 8.3730 105.2832 45.0202 0.0000 172.8666 19 K 4.2359 7.8256 121.8283 54.8027 32.1914 175.0388 20 L 4.5673 8.4418 129.6914 53.9058 42.6596 177.2063 21 F 4.7982 6.8121 125.5115 54.8767 36.6749 174.3671 22 C 4.5188 8.4190 126.3582 60.2446 43.8595 173.2202 23 P 4.6381 0.0000 0.0000 62.7565 27.7000 174.3597 24 Q 4.4750 7.7290 118.4913 55.9762 32.2503 175.0895 25 D 4.5798 7.4309 115.7400 51.5089 41.6460 176.2678 26 K 4.6807 8.1350 119.6695 56.9560 32.4850 177.8509 27 K 3.4812 7.3648 120.0283 59.6772 31.8211 178.2882 28 F 4.3969 7.0316 117.2530 60.4694 38.4926 176.8749 29 F 4.1416 8.9965 120.0967 60.9986 39.1595 176.3489 30 Q 4.4693 8.5147 116.1044 56.8705 28.6026 175.6606 31 S 4.6978 8.0067 116.2010 55.6255 67.5140 174.6027 32 L 3.8797 8.4733 123.0407 58.5785 41.6325 178.4781 33 D 4.5248 8.2194 116.7271 57.6272 41.2456 178.4143 34 G 3.8488 7.9921 105.5221 47.8866 0.0000 175.6188 35 I 3.7610 8.8776 123.1559 64.2680 36.9664 178.1579 36 M 4.6769 8.5124 121.3693 57.8574 31.7338 178.1308 37 F 4.4090 7.9003 119.9896 62.0299 39.2824 177.2017 38 I 2.7022 7.2325 116.0285 64.5638 37.1288 177.8601 39 N 4.4431 8.6040 117.4317 55.5471 38.0537 176.8946 40 K 4.0905 7.7412 118.0871 57.8237 32.9256 178.1181 41 C 2.4721 8.6315 120.2494 59.6398 43.0274 175.1861 42 A 3.7665 7.4263 124.0366 55.3126 18.7009 179.5098 43 T 3.8183 7.0849 111.6904 66.9869 68.4081 176.0273 44 C 4.0349 8.8744 121.1464 59.4450 37.6825 175.8322 45 K 3.8494 7.5324 121.0758 59.6302 31.8916 178.7611 46 M 4.1122 7.8171 116.4939 58.0784 30.4489 178.3602 47 I 3.6651 7.2558 121.2746 64.4306 37.3418 178.2382 48 L 4.0395 7.7386 119.4039 57.7627 41.2983 179.3365 49 E 4.0952 8.0619 116.8534 58.8891 29.4315 179.0787 50 K 4.1380 7.7535 118.3769 59.3694 32.2752 178.8740 51 E 4.0653 7.7144 116.5742 57.8862 29.5882 177.4787 52 A 4.1603 7.1047 121.4409 52.6071 19.4106 177.2689 53 K 3.8547 8.7414 122.0223 57.3865 29.6662 177.4405 54 S 4.1582 8.2234 113.3425 60.5122 62.8739 173.5520 55 Q 4.2075 7.4505 122.8490 56.2021 28.5361 175.2970 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 K 8.31 4.25 0.00 1.76 1.94 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 2 N 7.82 4.52 0.00 2.83 2.74 0.00 0.00 6.80 6.77 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 3 E 8.96 4.13 0.00 1.92 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 2.29 2.29 0.00 4 D 7.99 4.36 0.00 2.69 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 5 Q 7.39 3.75 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.34 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 6 E 7.57 4.33 0.00 2.08 1.84 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 2.40 2.28 0.00 7 M 7.69 3.81 0.00 1.97 2.13 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 2.78 2.57 0.00 8 C 7.60 4.66 0.00 2.82 2.92 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 9 H 8.49 4.58 0.00 3.23 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.37 3.81 0.00 1.87 1.99 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 1.77 2.08 0.00 11 F 8.12 3.38 0.00 3.15 3.11 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 12 Q 7.51 4.01 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 13 A 7.42 4.01 0.99 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 0.00 0.00 14 F 8.73 4.94 0.00 3.00 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 0.00 0.00 0.00 0.00 15 M 7.90 4.54 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 16 K 10.05 4.36 0.00 2.28 1.98 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.48 7.81 17 N 9.47 4.05 0.00 2.96 2.90 0.00 0.00 7.41 7.70 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 18 G 8.37 3.88 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 0.00 0.00 0.00 19 K 7.83 4.24 0.00 1.90 1.93 0.00 1.89 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.61 7.81 20 L 8.44 4.57 0.00 1.60 1.54 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 F 6.81 4.80 0.00 3.27 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 22 C 8.42 4.52 0.00 2.99 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 23 P 0.00 4.64 0.00 2.16 2.09 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 24 Q 7.73 4.48 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.48 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 25 D 7.43 4.58 0.00 2.49 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 0.00 0.00 0.00 0.00 26 K 8.14 4.68 0.00 1.97 2.10 0.00 1.90 0.00 0.00 1.93 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 2.02 2.00 7.81 27 K 7.36 3.48 0.00 1.34 1.66 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.40 7.81 28 F 7.03 4.40 0.00 3.11 2.93 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 0.00 0.00 0.00 29 F 9.00 4.14 0.00 3.29 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 30 Q 8.51 4.47 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.47 0.00 0.00 0.00 0.00 0.00 2.53 2.70 0.00 31 S 8.01 4.70 0.00 3.86 3.71 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 32 L 8.47 3.88 0.00 1.69 1.65 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.22 4.52 0.00 2.68 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 34 G 7.99 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 35 I 8.88 3.76 1.94 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 0.80 0.00 0.00 36 M 8.51 4.68 0.00 2.06 2.45 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.78 0.00 37 F 7.90 4.41 0.00 3.36 3.23 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 0.00 38 I 7.23 2.70 2.17 0.00 0.00 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 1.64 1.29 0.98 0.00 0.00 39 N 8.60 4.44 0.00 2.88 2.85 0.00 0.00 6.93 7.25 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 40 K 7.74 4.09 0.00 2.18 1.89 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.51 7.81 41 C 8.63 2.47 0.00 2.42 2.82 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 42 A 7.43 3.77 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 43 T 7.08 3.82 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 1.14 0.00 0.00 44 C 8.87 4.03 0.00 2.50 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.53 3.85 0.00 1.86 1.84 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.41 7.81 46 M 7.82 4.11 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 47 I 7.26 3.67 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.25 0.86 0.00 0.00 48 L 7.74 4.04 0.00 1.77 1.69 0.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.06 4.10 0.00 2.06 2.00 0.00 0.00 0.00 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 2.54 0.00 50 K 7.75 4.14 0.00 1.94 1.84 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.59 7.81 51 E 7.71 4.07 0.00 2.10 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 2.33 2.54 0.00 52 A 7.10 4.16 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 53 K 8.74 3.85 0.00 1.97 1.88 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.40 7.81 54 S 8.22 4.16 0.00 3.96 3.89 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 55 Q 7.45 4.21 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.32 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00