NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4877 8.3049 118.7935 54.1699 32.7629 174.8625 2 N 4.5189 8.6137 122.6803 51.2380 39.5181 173.6391 3 L 4.2971 8.1124 122.9103 53.5526 43.6062 174.7823 4 P 4.6640 0.0000 0.0000 62.5448 32.5636 175.0763 5 S 4.6289 7.8576 111.6080 57.1598 65.3150 174.3737 6 T 4.1065 8.2832 111.8909 61.5351 69.3570 173.8541 7 K 4.4765 8.2643 123.0328 54.6583 33.7252 176.5217 8 V 3.8098 8.2544 123.7294 62.5734 32.0618 175.8779 9 S 4.3708 8.4852 123.5224 57.8979 63.4912 173.6978 10 W 4.3126 8.7604 133.9164 56.2844 30.5228 175.9717 11 A 4.0138 8.1457 128.9208 52.0308 18.4267 176.6020 12 A 4.2180 8.2543 124.0625 51.7718 19.2217 177.9363 13 V 3.5617 8.3461 122.3779 63.2624 32.3202 172.7249 14 G 3.8698 9.0412 122.0366 45.5757 0.0000 174.1590 15 G 3.9892 8.4155 116.6899 44.2534 0.0000 172.4683 16 G 3.7008 8.1780 106.9814 44.9753 0.0000 174.4286 17 G 4.1112 9.2852 104.2631 45.5111 0.0000 173.0447 18 S 4.6284 7.9517 111.9538 56.1828 65.8143 174.1686 19 L 4.0872 8.4727 123.6488 54.9625 42.0895 177.3474 20 V 3.9762 8.1789 121.1862 63.0514 31.7532 175.0383 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 4.49 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 N 8.61 4.52 0.00 2.79 2.78 0.00 0.00 7.21 6.97 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 3 L 8.11 4.30 0.00 1.64 1.59 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.66 0.00 2.18 2.06 0.00 3.80 0.00 0.00 3.71 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 5 S 7.86 4.63 0.00 3.96 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 T 8.28 4.11 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 1.22 0.00 0.00 7 K 8.26 4.48 0.00 1.78 1.80 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 8 V 8.25 3.81 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 0.82 0.00 0.00 0.95 0.00 0.00 9 S 8.49 4.37 0.00 3.94 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 10 W 8.76 4.31 0.00 3.36 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 11 A 8.15 4.01 1.07 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 0.00 0.00 12 A 8.25 4.22 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 13 V 8.35 3.56 2.12 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 0.82 0.00 0.00 0.99 0.00 0.00 14 G 9.04 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.42 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 16 G 8.18 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.29 4.11 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 0.00 0.00 0.00 18 S 7.95 4.63 0.00 3.92 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 19 L 8.47 4.09 0.00 1.65 1.64 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.18 3.98 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 0.79 0.00 0.00 0.94 0.00 0.00