NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.0502 8.4331 121.4624 51.8276 31.9835 179.2571 2 G 3.3572 7.6815 110.7081 46.2820 0.0000 170.5547 3 L 4.4924 7.7974 118.5323 52.9044 43.9427 172.9681 4 P 4.8832 0.0000 0.0000 63.0804 32.3218 176.4650 5 C 4.8964 8.7569 118.8892 55.5899 41.4576 173.7845 6 K 4.9193 8.3803 120.1492 55.9433 35.3058 176.2340 7 S 4.1940 8.8861 120.4895 58.2058 63.7725 172.6736 8 P 3.6461 0.0000 0.0000 61.5817 31.4343 174.6773 9 P 4.3434 0.0000 0.0000 62.1003 32.5470 175.0463 10 E 3.9984 8.1602 119.4249 55.4237 30.3580 174.5826 11 I 4.2754 7.1994 114.1493 58.0100 40.3765 175.2030 12 S 3.8147 8.5086 116.6083 60.7561 62.9403 174.9745 13 H 3.7315 8.3069 124.2872 55.9946 25.9144 173.4802 14 G 4.5670 7.3294 106.8874 45.2531 0.0000 171.5453 15 V 4.4121 8.3822 118.1872 60.4958 35.2363 173.8061 16 V 5.1015 8.3955 118.7553 60.6380 33.2153 175.2307 17 A 4.4389 8.4874 127.9771 52.9692 20.2382 177.1854 18 H 4.5832 7.9119 113.1256 54.3361 28.0285 172.1268 19 M 4.2798 8.0506 120.8182 54.1109 31.3319 175.2641 20 S 4.6560 8.8183 121.5364 56.8069 64.5602 172.6719 21 D 4.6933 8.4219 118.7463 54.1812 42.5019 175.4185 22 S 4.5762 7.7565 112.8125 56.5553 62.7223 172.0534 23 Y 4.7371 8.5627 125.2462 56.1747 40.1588 173.9054 24 Q 4.5064 8.4048 121.5863 55.7214 31.9275 174.5497 25 Y 4.5501 8.3339 119.0872 58.1882 42.5338 174.8964 26 G 3.8502 8.5093 116.1365 46.2710 0.0000 172.3539 27 E 5.0341 7.8617 116.5067 54.0434 34.0938 175.2306 28 E 5.3402 8.8050 118.0850 54.9411 33.3588 174.6491 29 V 4.6583 8.6540 113.0126 60.2258 37.0875 175.0906 30 T 4.3343 8.3986 112.2199 60.6780 68.8749 171.9032 31 Y 4.3126 8.8510 127.0517 57.8050 37.5107 173.7904 32 K 4.5973 8.7887 125.2652 54.9037 35.1134 174.7316 33 C 5.0511 8.6049 122.6862 56.0312 40.9547 172.2752 34 F 4.9622 8.4758 122.5124 57.3000 41.7032 173.4184 35 E 4.4897 8.9087 121.4238 56.4249 29.5225 175.3660 36 G 3.5306 8.7123 114.8992 45.1040 0.0000 172.9316 37 F 4.6583 7.6407 119.2025 55.2954 41.5285 175.0402 38 G 4.0086 8.5638 112.6162 45.6274 0.0000 172.0559 39 I 4.9968 8.3615 124.5522 59.4181 39.9440 174.1257 40 D 4.7593 9.3082 128.0214 53.8473 44.6870 175.5686 41 G 4.2344 9.0483 110.6689 43.8486 0.0000 170.2967 42 P 4.4613 0.0000 0.0000 62.8410 31.9605 175.7224 43 A 5.1973 8.4619 118.3170 50.7911 19.6004 175.5776 44 I 5.1913 7.7851 110.5949 60.8962 41.4653 173.5290 45 A 4.9240 8.0494 122.4619 49.0495 23.0027 174.9197 46 K 5.0915 8.4817 117.1891 54.7632 36.7977 174.7995 47 C 3.3797 8.3861 122.5440 54.7360 38.8919 174.2939 48 L 4.2071 7.5882 127.0731 53.0624 40.5606 174.4982 49 G 4.6750 7.1406 110.1722 44.1782 0.0000 172.6013 50 E 4.2605 7.9381 121.8688 55.2076 32.4400 176.4282 51 K 4.5579 7.5251 117.4485 54.4955 34.4337 174.8163 52 W 4.7482 8.4179 119.0022 55.1321 31.6759 175.3885 53 S 4.4713 8.8125 114.9564 56.8928 63.8243 173.5146 54 H 3.9447 8.4602 115.5504 56.6776 27.0897 171.0816 55 P 5.0076 0.0000 0.0000 60.8385 32.5288 174.2576 56 P 4.7430 0.0000 0.0000 63.0106 33.0411 175.8563 57 S 4.5066 8.6933 115.4347 57.3153 64.3688 172.6129 58 C 5.1764 8.6784 124.1005 55.0453 38.9671 174.0980 59 I 4.2443 8.3783 115.8318 60.7174 37.0399 176.1700 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 E 8.43 4.05 0.00 1.87 1.79 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 2.04 2.21 0.00 2 G 7.68 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 0.00 0.00 0.00 3 L 7.80 4.49 0.00 1.72 1.59 0.95 0.92 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 4 P 0.00 4.88 0.00 2.12 2.08 0.00 3.77 0.00 0.00 3.66 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 5 C 8.76 4.90 0.00 2.96 3.08 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 6 K 8.38 4.92 0.00 1.70 1.69 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.46 7.81 7 S 8.89 4.19 0.00 3.93 3.92 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 8 P 0.00 3.65 0.00 1.34 0.49 0.00 3.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 0.00 9 P 0.00 4.34 0.00 2.12 2.11 0.00 3.17 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 10 E 8.16 4.00 0.00 1.79 1.74 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 2.06 2.08 0.00 11 I 7.20 4.28 1.48 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 -0.61 0.00 0.00 12 S 8.51 3.81 0.00 3.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.31 3.73 0.00 2.26 1.65 0.00 5.57 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.33 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 4.41 1.74 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 0.51 0.00 0.00 0.74 0.00 0.00 16 V 8.40 5.10 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 1.31 0.00 0.00 0.70 0.00 0.00 17 A 8.49 4.44 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 18 H 7.91 4.58 0.00 3.19 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.05 4.28 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 20 S 8.82 4.66 0.00 3.73 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 21 D 8.42 4.69 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.76 4.58 0.00 3.81 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 23 Y 8.56 4.74 0.00 3.31 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.40 4.51 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 25 Y 8.33 4.55 0.00 2.88 2.73 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 26 G 8.51 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 27 E 7.86 5.03 0.00 2.04 2.03 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 2.32 2.30 0.00 28 E 8.81 5.34 0.00 1.91 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 2.18 2.32 0.00 29 V 8.65 4.66 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.42 0.00 0.00 30 T 8.40 4.33 4.29 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 1.28 0.00 0.00 31 Y 8.85 4.31 0.00 2.88 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 32 K 8.79 4.60 0.00 1.87 1.62 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.42 7.81 33 C 8.60 5.05 0.00 2.99 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 34 F 8.48 4.96 0.00 3.18 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 35 E 8.91 4.49 0.00 2.06 1.70 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 0.00 2.18 2.30 0.00 36 G 8.71 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.64 4.66 0.00 3.41 2.97 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 38 G 8.56 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 0.00 0.00 0.00 39 I 8.36 5.00 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.98 0.95 0.00 0.00 40 D 9.31 4.76 0.00 2.73 2.61 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 41 G 9.05 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 0.00 0.00 0.00 0.00 42 P 0.00 4.46 0.00 1.86 1.99 0.00 3.77 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 2.04 2.10 0.00 43 A 8.46 5.20 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 44 I 7.79 5.19 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.97 0.89 0.00 0.00 45 A 8.05 4.92 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 0.00 0.00 0.00 46 K 8.48 5.09 0.00 1.57 1.56 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.31 7.81 47 C 8.39 3.38 0.00 1.80 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.21 0.00 1.66 1.45 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.14 4.68 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 0.00 0.00 0.00 50 E 7.94 4.26 0.00 1.89 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 2.19 2.30 0.00 51 K 7.53 4.56 0.00 1.76 1.74 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.37 7.81 52 W 8.42 4.75 0.00 3.31 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 53 S 8.81 4.47 0.00 3.73 3.68 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 54 H 8.46 3.94 0.00 3.29 3.37 0.00 5.73 0.00 0.00 0.00 0.00 6.89 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 5.01 0.00 2.28 2.16 0.00 3.79 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 1.94 1.98 0.00 56 P 0.00 4.74 0.00 2.17 2.41 0.00 3.88 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.28 0.00 57 S 8.69 4.51 0.00 3.96 3.86 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 0.00 0.00 0.00 58 C 8.68 5.18 0.00 2.76 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 59 I 8.38 4.24 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.65 0.95 0.00 0.00