NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5547 8.3049 120.3267 54.4718 34.1640 175.9551 2 K 3.7331 8.8125 124.1255 57.8374 31.1972 177.0869 3 A 4.2365 9.4052 134.8510 53.6880 20.4754 180.2105 4 K 3.6413 8.0916 116.7824 59.3772 32.1898 177.5545 5 E 4.1139 7.6101 115.9235 58.1204 29.8270 176.9922 6 L 4.1782 8.3922 120.1887 54.8315 42.3466 178.6521 7 R 4.2707 8.6158 118.1126 57.7374 30.2216 176.9204 8 E 3.9832 8.4508 116.8815 58.0976 29.3020 175.0998 9 K 4.0108 7.1203 122.6502 56.0432 31.6491 176.9824 10 S 3.2898 7.2078 109.8609 58.3200 65.4931 176.1055 11 V 3.6137 7.7952 118.2698 65.9986 31.6306 177.6313 12 E 4.1910 7.9636 117.0447 58.1111 29.5928 178.2677 13 E 4.8964 8.6758 121.1080 57.7860 30.3281 177.8050 14 L 3.9246 7.9877 118.6434 58.2376 41.3899 179.3610 15 N 4.4972 7.6301 114.8389 56.7186 37.7505 176.4738 16 T 3.7243 8.3260 117.8626 66.2171 68.3345 175.4833 17 E 3.9326 8.2399 119.6521 59.8641 29.6451 179.0028 18 L 3.8997 7.5287 119.6278 58.3034 41.8030 179.0754 19 L 3.9876 7.9881 118.3767 58.1684 41.5617 178.6738 20 N 4.1193 8.2844 115.7329 57.1123 38.4053 176.7127 21 L 4.1346 8.2985 120.6531 57.5626 40.3675 176.2707 22 L 3.9208 7.7310 124.4724 55.5438 42.0168 175.4856 23 R 4.4475 8.5503 127.6514 57.2072 28.9080 178.1258 24 E 3.8623 7.7907 117.6568 59.5897 29.9706 179.0372 25 Q 4.3526 8.2241 118.0166 57.6451 29.7766 177.3419 26 F 4.0979 8.3664 121.8119 61.4047 39.4684 176.6013 27 N 4.0487 9.1738 117.1581 56.4691 38.4037 177.0264 28 L 4.1854 7.9066 119.4208 58.0102 41.4231 179.2952 29 R 3.8493 7.5370 117.4091 59.7771 30.0138 178.8559 30 M 3.8614 7.4660 117.8144 58.5552 31.7812 178.6182 31 Q 4.3861 8.7635 120.1338 58.4828 29.2798 178.1319 32 A 4.0551 7.9530 121.9779 55.0048 18.3238 179.4214 33 A 4.0640 7.6723 118.3518 54.4829 18.5452 178.3585 34 S 4.5588 8.0823 113.3220 58.1923 64.5174 176.2501 35 G 3.7179 7.8579 115.1632 46.0580 0.0000 178.0674 36 Q 2.8954 9.3811 123.6028 54.4632 29.0223 175.7311 37 L 3.5478 8.2779 115.9155 57.8095 39.4517 173.8411 38 Q 4.2802 7.9648 117.5970 56.1428 30.5095 176.8082 39 Q 4.5084 7.5812 120.5667 54.5141 27.8042 176.1107 40 S 4.1207 8.0397 118.6810 62.0309 63.5731 176.1237 41 H 4.0593 8.5284 119.0616 58.2521 27.4803 176.7498 42 L 3.7822 7.3055 120.2537 57.8035 40.3344 179.0231 43 L 4.0985 8.0926 118.9439 57.7270 40.4215 179.1678 44 K 3.7177 8.0359 118.8216 61.7692 32.2565 177.5131 45 Q 4.3203 8.6648 118.5547 56.9735 31.2823 173.6316 46 V 3.5078 8.8115 119.4520 65.4076 31.7923 175.6544 47 R 3.9258 7.6362 115.8237 59.3682 29.9896 179.6059 48 R 3.9377 7.4214 118.1225 59.2120 30.0397 178.4418 49 D 4.3032 8.0402 118.1825 57.5886 40.8093 178.6719 50 V 3.5492 8.4421 118.5655 66.9692 31.0818 177.0713 51 A 4.0280 7.9877 119.0974 54.9022 17.8498 179.4198 52 R 3.9805 8.2464 115.5863 58.5241 30.3378 179.1662 53 V 3.8490 7.8463 116.4099 66.3241 31.6043 178.0651 54 K 4.1368 8.5828 117.2069 59.3930 32.1321 179.3819 55 T 4.0189 8.8925 117.1929 66.4747 68.1041 175.1482 56 L 5.0150 8.7082 122.2576 54.4304 43.9055 177.5411 57 L 4.1670 8.4685 124.7652 56.4745 41.8355 174.5748 58 N 4.3727 8.9220 117.9431 54.5082 39.1175 175.7869 59 E 3.9310 7.1984 117.3967 59.4342 30.4927 180.2092 60 K 3.7017 7.7035 116.9874 59.2402 32.2141 177.3236 61 A 3.8681 7.8771 120.2002 52.1095 18.9731 176.2815 62 G 3.2569 7.8859 115.6860 43.7208 0.0000 172.9804 63 A 4.0969 7.1778 125.7982 53.0745 18.9479 176.6150 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 M 8.30 4.55 0.00 2.00 2.34 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 8.81 3.73 0.00 1.89 1.55 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 3 A 9.41 4.24 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 4 K 8.09 3.64 0.00 1.72 1.87 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 5 E 7.61 4.11 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 6 L 8.39 4.18 0.00 1.91 1.60 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.62 4.27 0.00 1.91 2.05 0.00 3.30 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 8 E 8.45 3.98 0.00 2.09 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 2.53 2.63 0.00 9 K 7.12 4.01 0.00 2.03 1.83 0.00 1.55 0.00 0.00 2.01 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.47 7.81 10 S 7.21 3.29 0.00 4.02 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 11 V 7.80 3.61 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 1.06 0.00 0.00 0.93 0.00 0.00 12 E 7.96 4.19 0.00 2.26 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 2.35 2.36 0.00 13 E 8.68 4.90 0.00 2.11 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 2.25 2.33 0.00 14 L 7.99 3.92 0.00 1.64 1.75 0.92 0.62 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 15 N 7.63 4.50 0.00 2.97 2.94 0.00 0.00 7.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.33 3.72 4.33 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 1.21 0.00 0.00 17 E 8.24 3.93 0.00 2.23 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 2.37 2.71 0.00 18 L 7.53 3.90 0.00 2.01 1.91 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.99 3.99 0.00 1.99 1.71 0.98 0.49 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 20 N 8.28 4.12 0.00 2.92 2.86 0.00 0.00 6.85 6.74 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 21 L 8.30 4.13 0.00 1.91 1.90 0.98 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.73 3.92 0.00 1.58 1.99 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.55 4.45 0.00 2.10 2.23 0.00 3.55 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 24 E 7.79 3.86 0.00 2.42 2.14 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 2.38 2.45 0.00 25 Q 8.22 4.35 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 26 F 8.37 4.10 0.00 3.11 3.14 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 27 N 9.17 4.05 0.00 2.92 2.88 0.00 0.00 7.13 6.62 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 28 L 7.91 4.19 0.00 1.86 1.69 0.90 1.00 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 29 R 7.54 3.85 0.00 1.74 1.88 0.00 3.29 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 30 M 7.47 3.86 0.00 1.82 1.97 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 1.74 1.72 0.00 31 Q 8.76 4.39 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 32 A 7.95 4.06 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 33 A 7.67 4.06 1.27 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 0.00 0.00 34 S 8.08 4.56 0.00 4.03 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 35 G 7.86 3.72 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 0.00 0.00 0.00 36 Q 9.38 2.90 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.68 6.07 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 37 L 8.28 3.55 0.00 1.76 1.62 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.96 4.28 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.26 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 39 Q 7.58 4.51 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 40 S 8.04 4.12 0.00 4.05 4.14 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 41 H 8.53 4.06 0.00 3.39 3.61 0.00 5.49 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.31 3.78 0.00 1.95 1.74 0.71 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.09 4.10 0.00 1.74 1.72 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.04 3.72 0.00 1.87 2.04 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.62 7.81 45 Q 8.66 4.32 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 5.92 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 46 V 8.81 3.51 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 0.96 0.00 0.00 1.01 0.00 0.00 47 R 7.64 3.93 0.00 1.86 1.98 0.00 3.18 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.06 0.00 48 R 7.42 3.94 0.00 2.02 1.97 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 49 D 8.04 4.30 0.00 2.90 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.44 3.55 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 1.01 0.00 0.00 1.03 0.00 0.00 51 A 7.99 4.03 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 52 R 8.25 3.98 0.00 2.05 2.04 0.00 3.29 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 53 V 7.85 3.85 2.23 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 0.86 0.00 0.00 1.01 0.00 0.00 54 K 8.58 4.14 0.00 1.90 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.67 7.81 55 T 8.89 4.02 4.37 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 1.21 0.00 0.00 56 L 8.71 5.02 0.00 1.75 1.63 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.47 4.17 0.00 1.75 2.01 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.92 4.37 0.00 2.96 2.91 0.00 0.00 6.93 7.53 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 59 E 7.20 3.93 0.00 2.36 2.23 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 2.30 2.50 0.00 60 K 7.70 3.70 0.00 1.93 1.94 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.66 7.81 61 A 7.88 3.87 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 62 G 7.89 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 0.00 0.00 0.00 63 A 7.18 4.10 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00