NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9777 8.3544 109.7437 45.9556 0.0000 172.4253 2 I 4.0678 7.6858 114.6128 60.2694 43.6514 171.3769 3 V 3.6357 7.8771 119.2888 65.4096 32.1805 176.9834 4 E 3.9086 8.0228 118.1046 59.3227 29.6828 178.4539 5 Q 4.1397 8.0450 115.5224 58.6124 29.2554 177.8494 6 C 4.6443 7.5128 117.8968 58.4785 41.0666 174.6009 7 C 4.2598 8.4381 117.6806 60.6840 31.1681 174.5642 8 T 4.2864 7.6596 113.1685 64.3590 67.3965 175.8648 9 S 4.5953 7.1966 114.7867 58.0664 64.8176 172.0552 10 I 3.5250 7.6846 124.1861 61.3087 37.1960 172.8557 11 C 4.8023 8.3350 120.2444 55.2040 36.9987 173.4084 12 S 4.4976 8.3070 114.9861 57.5640 63.1952 174.4740 13 L 3.8577 8.4437 126.3453 58.7475 41.4905 179.1405 14 Y 4.3205 7.4242 114.3992 60.8917 37.9391 178.0639 15 Q 4.1748 7.9996 119.1345 58.9009 28.7772 178.5034 16 L 4.2880 7.9364 119.5863 57.8189 41.7527 179.0855 17 E 3.9788 8.1316 118.0504 59.3567 29.1311 178.8282 18 N 4.3797 7.6842 115.1925 54.9704 38.6330 175.1656 19 Y 4.6508 7.5342 116.4624 57.7044 39.0692 175.6646 20 C 4.4011 7.5766 120.1808 59.0737 32.3868 172.7406 21 N 4.5897 8.5038 121.7905 53.7657 38.8410 174.0204 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 7.69 4.07 0.88 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.68 0.00 0.00 3 V 7.88 3.64 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 1.03 0.00 0.00 0.85 0.00 0.00 4 E 8.02 3.91 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 5 Q 8.04 4.14 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 6 C 7.51 4.64 0.00 2.90 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 7 C 8.44 4.26 0.00 2.93 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 8 T 7.66 4.29 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 1.30 0.00 0.00 9 S 7.20 4.60 0.00 3.83 3.77 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 0.00 0.00 0.00 0.00 10 I 7.68 3.53 1.87 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 1.29 0.21 0.91 0.00 0.00 11 C 8.34 4.80 0.00 2.99 3.07 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 0.00 0.00 0.00 0.00 12 S 8.31 4.50 0.00 3.90 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 13 L 8.44 3.86 0.00 1.56 1.09 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.42 4.32 0.00 3.02 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 15 Q 8.00 4.17 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 16 L 7.94 4.29 0.00 1.85 1.79 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.13 3.98 0.00 2.24 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 2.47 2.57 0.00 18 N 7.68 4.38 0.00 2.03 2.43 0.00 0.00 6.83 7.49 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 19 Y 7.53 4.65 0.00 3.10 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 4.40 0.00 2.97 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.59 0.00 2.70 2.63 0.00 0.00 6.90 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