NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3548 8.3044 120.3265 54.7666 34.1981 175.0829 2 V 3.8808 7.5766 118.6093 59.5759 32.1806 174.6080 3 S 4.4917 9.1624 123.9061 57.6032 66.2937 174.5832 4 K 3.8872 8.5106 121.5388 59.5165 31.6370 179.2832 5 L 3.9379 7.8340 119.9771 58.4330 42.0768 179.1387 6 S 4.5331 8.1499 116.3890 61.0566 62.6718 176.5136 7 Q 3.9318 8.3675 122.6842 58.9565 28.7251 178.0377 8 L 3.9474 8.1226 121.5007 58.1648 42.0209 178.8035 9 Q 3.9858 8.3581 118.3389 59.3080 28.6482 179.0645 10 T 3.8655 8.0882 116.6526 66.8866 68.5544 176.5788 11 E 4.0086 8.3181 120.3602 59.3643 29.3425 179.4880 12 L 4.0644 8.2375 119.2874 57.4664 41.7056 179.3415 13 L 3.9540 8.3490 119.2840 57.7506 41.6014 179.4462 14 A 3.9510 8.0163 120.3671 55.2120 18.3644 179.6067 15 A 3.9818 8.0601 119.3058 55.0239 18.2502 179.8962 16 L 3.8932 8.2292 117.8804 58.1181 41.7966 179.7743 17 L 4.1541 7.8495 118.8217 57.8057 41.3112 179.2581 18 E 4.0253 8.1680 118.6364 58.8851 29.6465 178.3853 19 S 4.3701 7.7357 112.7569 58.6920 63.4547 174.5995 20 G 4.0039 7.7492 109.2995 45.1587 0.0000 174.0594 21 L 4.0588 7.5096 123.3399 54.5743 42.6970 177.4731 22 S 4.3816 8.4689 120.9081 58.1187 65.1317 175.4787 23 K 3.9388 8.5351 122.8697 59.4844 31.8398 179.2632 24 E 3.8806 8.1479 118.9548 59.2576 29.6881 178.5435 25 A 3.9634 8.3229 121.1638 55.0045 18.2098 179.0031 26 L 3.8780 7.8599 117.9228 58.5546 42.1175 179.0677 27 I 3.8437 7.7539 118.2501 64.5284 37.1723 178.0227 28 Q 4.1234 7.7942 116.9296 58.9716 28.7490 176.6866 29 A 4.1616 7.8281 125.4940 52.4516 18.3885 177.0529 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 4.35 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 V 7.58 3.88 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 0.80 0.00 0.00 0.93 0.00 0.00 3 S 9.16 4.49 0.00 4.09 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 4 K 8.51 3.89 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.50 7.81 5 L 7.83 3.94 0.00 1.75 1.66 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.15 4.53 0.00 4.03 3.90 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 0.00 0.00 0.00 7 Q 8.37 3.93 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 8 L 8.12 3.95 0.00 1.87 1.80 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.36 3.99 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 10 T 8.09 3.87 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 11 E 8.32 4.01 0.00 2.13 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 2.33 2.63 0.00 12 L 8.24 4.06 0.00 1.80 1.71 0.92 0.59 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 13 L 8.35 3.95 0.00 1.89 1.72 0.92 0.82 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 14 A 8.02 3.95 1.37 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 0.00 0.00 0.00 15 A 8.06 3.98 1.37 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 0.00 0.00 0.00 16 L 8.23 3.89 0.00 1.86 1.73 0.92 0.78 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 17 L 7.85 4.15 0.00 1.71 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.17 4.03 0.00 1.97 2.11 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 2.32 2.31 0.00 19 S 7.74 4.37 0.00 4.09 4.10 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 20 G 7.75 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 4.06 0.00 1.56 1.59 0.92 0.93 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 22 S 8.47 4.38 0.00 4.09 3.97 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 23 K 8.54 3.94 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.50 7.81 24 E 8.15 3.88 0.00 2.03 1.94 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 2.56 2.38 0.00 25 A 8.32 3.96 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 26 L 7.86 3.88 0.00 1.82 1.92 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.75 3.84 2.06 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 1.52 0.98 0.91 0.00 0.00 28 Q 7.79 4.12 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.68 2.49 0.00 29 A 7.83 4.16 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