NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9938 8.3393 109.7363 45.5056 0.0000 172.5863 2 S 4.4942 8.0187 112.5462 54.7381 65.6551 171.9367 3 S 4.4663 8.1516 115.5288 57.6965 66.3215 174.7151 4 G 2.8920 8.5803 112.7059 45.2102 0.0000 173.6677 5 S 4.2540 7.5304 113.7983 58.6404 62.3736 173.9303 6 S 4.7573 8.4106 126.5160 58.2493 63.6210 175.3504 7 G 4.0535 8.0198 106.3923 45.6088 0.0000 172.7070 8 T 4.6440 7.4535 112.8731 60.7343 70.2421 173.3496 9 G 4.1154 8.3047 110.5783 45.0827 0.0000 172.7507 10 E 3.7204 8.1870 116.9492 57.1251 26.4627 174.9805 11 K 4.2598 7.8379 117.1828 55.5879 33.2724 176.3590 12 P 4.2278 0.0000 0.0000 65.2410 31.8552 176.6344 13 F 4.8726 8.0002 117.8058 56.0736 40.5791 175.3654 14 K 5.9148 8.5734 121.3688 53.9359 36.3966 175.6626 15 C 4.6555 9.1330 124.3633 59.4171 32.7356 174.0196 16 V 4.0800 8.5844 124.0367 61.9278 31.5272 176.0856 17 E 4.4581 8.0201 120.4316 57.1236 31.2965 176.5161 18 C 4.6204 8.2555 110.0550 57.4814 31.7176 174.8616 19 G 4.4106 8.6033 106.8018 44.7579 0.0000 172.8526 20 K 3.9446 8.2676 121.6096 56.4335 33.3051 174.9796 21 G 4.3403 8.0570 106.8204 44.8560 0.0000 171.9760 22 F 5.1850 9.4930 126.0456 55.7012 41.7277 175.1234 23 S 4.8248 9.1262 111.5949 58.5973 64.5502 173.9409 24 R 4.4586 7.6263 115.7107 54.0023 31.8586 175.2583 25 R 3.1816 7.5982 116.3072 56.1873 30.2041 176.3616 26 S 4.3285 7.4182 108.7202 59.4893 64.0388 175.4389 27 A 3.9381 7.7433 122.6806 55.2348 17.5028 179.1524 28 L 2.0000 6.5737 115.3475 57.3312 41.7551 178.8743 29 N 4.1455 7.4377 115.6436 55.8178 38.3822 177.3040 30 V 3.7336 7.6679 120.8512 65.0162 31.5322 178.0411 31 H 4.2864 8.0078 118.3838 58.8471 29.6345 177.0269 32 H 4.2017 7.8975 117.8268 58.8745 28.8813 177.4339 33 K 3.9630 7.7431 119.7448 59.6967 31.6207 179.0591 34 L 3.8555 7.4347 118.0850 58.1857 41.6633 178.4222 35 H 4.2025 8.3192 115.5155 59.0993 28.8220 177.3397 36 T 3.9653 7.0624 116.7231 60.6370 64.5751 169.8764 37 G 3.3172 7.5497 108.9436 43.8096 0.0000 170.3952 38 E 4.7404 8.1182 124.8755 53.4298 33.7887 175.3680 39 K 3.9655 8.5513 119.8232 55.6363 32.7963 176.1958 40 P 4.4731 0.0000 0.0000 62.7112 29.1070 174.2358 41 S 4.2648 8.0708 118.8328 59.4055 64.6164 173.3078 42 G 3.7376 8.8299 117.1429 45.4751 0.0000 169.2068 43 P 4.3585 0.0000 0.0000 63.0288 30.1967 176.9069 44 S 4.3771 8.0957 120.5674 56.6595 60.8910 173.3698 45 S 4.2648 8.1001 118.8696 58.2631 63.0769 174.3709 46 G 3.7416 8.2806 113.0085 46.0729 0.0000 172.6742 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 G 8.34 3.99 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 0.00 2 S 8.02 4.49 0.00 4.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.15 4.47 0.00 3.94 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 4 G 8.58 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 0.00 0.00 0.00 5 S 7.53 4.25 0.00 3.84 3.83 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 6 S 8.41 4.76 0.00 3.95 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 7 G 8.02 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 0.00 0.00 0.00 8 T 7.45 4.64 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 9 G 8.30 4.12 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 0.00 0.00 0.00 10 E 8.19 3.72 0.00 2.13 2.04 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 2.20 2.31 0.00 11 K 7.84 4.26 0.00 1.76 1.94 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.59 7.81 12 P 0.00 4.23 0.00 1.57 1.98 0.00 3.99 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 13 F 8.00 4.87 0.00 3.18 3.05 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 14 K 8.57 5.91 0.00 1.66 1.75 0.00 1.82 0.00 0.00 2.32 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.34 7.81 15 C 9.13 4.66 0.00 3.42 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 16 V 8.58 4.08 2.13 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 0.83 0.00 0.00 0.94 0.00 0.00 17 E 8.02 4.46 0.00 1.21 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 18 C 8.26 4.62 0.00 3.09 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 19 G 8.60 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.27 3.94 0.00 1.92 1.82 0.00 1.32 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.00 1.31 7.81 21 G 8.06 4.34 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 0.00 22 F 9.49 5.18 0.00 2.90 3.01 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 23 S 9.13 4.82 0.00 4.03 4.02 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 0.00 0.00 0.00 0.00 24 R 7.63 4.46 0.00 1.77 1.99 0.00 2.94 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 25 R 7.60 3.18 0.00 1.59 1.76 0.00 3.33 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.75 0.00 26 S 7.42 4.33 0.00 3.74 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 3.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.57 2.00 0.00 0.49 1.00 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.44 4.15 0.00 2.72 2.74 0.00 0.00 6.81 7.51 0.00 0.00 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 V 7.67 3.73 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 0.84 0.00 0.00 0.93 0.00 0.00 31 H 8.01 4.29 0.00 3.50 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 7.90 4.20 0.00 3.42 3.31 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.74 3.96 0.00 2.03 1.89 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.56 7.81 34 L 7.43 3.86 0.00 1.60 1.68 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.32 4.20 0.00 3.24 3.29 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.06 3.97 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 1.27 0.00 0.00 37 G 7.55 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 4.74 0.00 1.90 1.81 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 2.19 2.30 0.00 39 K 8.55 3.97 0.00 1.73 1.79 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.42 7.81 40 P 0.00 4.47 0.00 2.17 2.10 0.00 3.73 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 1.98 1.95 0.00 41 S 8.07 4.26 0.00 3.79 3.74 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 0.00 0.00 0.00 42 G 8.83 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.36 0.00 2.19 2.12 0.00 3.76 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 1.98 1.95 0.00 44 S 8.10 4.38 0.00 3.85 3.84 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 0.00 0.00 0.00 45 S 8.10 4.26 0.00 3.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00