NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9792 8.3549 109.7445 45.6157 0.0000 173.6749 2 I 3.7177 7.0749 121.0938 62.5229 38.3067 173.8610 3 V 3.6164 8.5458 120.4113 64.8845 32.9510 175.7495 4 E 4.6826 7.4027 119.3622 54.4436 29.1935 174.2480 5 Q 4.5777 7.4596 124.0433 56.5403 33.5654 174.6421 6 C 5.4038 7.8030 114.2941 57.5084 41.6603 175.6045 7 C 4.0485 8.0798 119.1634 62.0544 31.3145 174.2336 8 T 4.1997 7.7289 108.0067 62.6471 69.3928 174.7655 9 S 4.2439 7.8073 112.7460 57.3743 65.6117 174.0455 10 I 3.5435 8.7355 127.2852 61.2332 36.6605 176.4533 11 C 4.4169 8.5775 122.6483 56.7896 35.8770 174.4578 12 S 4.4591 8.1845 115.8968 57.9449 64.0784 175.4048 13 L 3.9739 8.2286 123.8329 57.7767 41.0585 179.3930 14 Y 4.0598 7.5860 115.4315 61.2569 37.9610 178.0071 15 Q 4.1737 8.2260 118.4510 59.0311 28.5148 178.5983 16 L 4.4401 8.0408 119.0113 56.9944 41.2830 178.8557 17 E 4.1145 8.2112 118.7373 58.3353 29.7143 177.6019 18 N 5.0585 7.7064 115.1215 52.9156 37.3114 175.1814 19 Y 4.6071 7.4171 115.5628 58.6299 39.5285 176.0524 20 C 4.4746 7.3953 117.1838 58.6615 29.1557 173.1864 21 N 4.4810 8.6693 119.2648 54.1337 38.4752 174.7035 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 8.35 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.07 3.72 1.65 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 -0.09 0.77 0.00 0.00 3 V 8.55 3.62 2.05 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 0.86 0.00 0.00 0.89 0.00 0.00 4 E 7.40 4.68 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 5 Q 7.46 4.58 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.15 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 6 C 7.80 5.40 0.00 3.14 3.09 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 0.00 0.00 0.00 0.00 7 C 8.08 4.05 0.00 2.97 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 8 T 7.73 4.20 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 9 S 7.81 4.24 0.00 4.01 3.98 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 0.00 0.00 0.00 10 I 8.74 3.54 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.92 0.00 0.00 11 C 8.58 4.42 0.00 3.01 3.10 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 0.00 0.00 0.00 0.00 12 S 8.18 4.46 0.00 4.10 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 13 L 8.23 3.97 0.00 1.43 1.32 0.84 0.75 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 14 Y 7.59 4.06 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.23 4.17 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 16 L 8.04 4.44 0.00 1.85 1.78 1.00 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 17 E 8.21 4.11 0.00 2.35 2.02 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 2.32 2.21 0.00 18 N 7.71 5.06 0.00 2.61 2.81 0.00 0.00 6.74 7.08 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 19 Y 7.42 4.61 0.00 3.24 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 20 C 7.40 4.47 0.00 2.89 2.88 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 21 N 8.67 4.48 0.00 2.70 2.72 0.00 0.00 6.89 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00