NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0967 7.9127 114.0560 60.7354 33.7858 176.6626 4 K 3.7112 8.1021 123.5547 58.7428 31.9768 176.9535 5 Q 3.9191 8.1754 119.5725 59.0603 29.5442 177.2528 6 L 3.9180 7.9068 120.6119 58.2150 42.1284 178.5971 7 A 4.0062 8.3111 121.0224 55.1852 18.2837 179.1074 8 D 4.2178 8.5519 116.7566 57.3824 41.2769 178.3333 9 A 3.9962 8.1647 121.3854 55.1579 18.2941 179.7949 10 V 3.5436 7.9293 116.7613 66.1085 31.5273 178.0387 11 E 3.9438 8.4380 118.5692 59.5782 29.2767 179.2688 12 E 3.9724 8.3599 118.5716 59.2192 29.4501 179.1444 13 L 3.9507 8.2035 120.3407 57.9204 42.1032 178.8348 14 A 3.9926 8.2751 120.9821 55.3281 18.3755 179.6715 15 S 4.0351 8.2759 113.4866 61.8003 62.8690 176.8814 16 A 4.1273 8.2232 123.3456 55.4134 18.0581 179.5112 17 N 4.3641 8.4926 115.0596 56.2780 38.5627 177.0488 18 Y 4.0940 8.2480 121.2490 61.1471 38.8969 177.9912 19 H 4.0484 8.3215 117.0611 58.5649 28.7082 177.4972 20 L 3.9073 8.3663 122.3817 58.1285 41.8652 178.8520 21 A 3.9424 8.2357 120.9454 55.3582 18.2800 179.3961 22 N 4.1299 8.0496 114.6657 56.2501 38.5632 177.5280 23 A 3.9413 8.0582 122.2625 55.1601 18.3836 179.9018 24 V 3.5262 8.0527 116.7189 65.9690 31.5822 178.1396 25 A 3.9577 8.2075 120.7650 55.2189 18.2189 179.8278 26 R 3.8648 8.1444 116.6761 59.2017 30.0160 179.0540 27 L 3.9197 8.0587 119.9464 58.0701 42.1274 178.7865 28 A 3.9803 8.2472 120.9612 55.1928 18.0527 179.8033 29 K 3.9232 7.9145 115.7594 59.4707 32.1949 179.1456 30 A 4.1195 7.8854 120.0543 55.1805 18.3901 179.5315 31 V 3.7702 7.9737 116.1790 65.9077 31.6875 176.7224 32 G 3.8665 8.0014 108.8803 45.0167 0.0000 173.0280 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 3 V 7.91 4.10 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 0.72 0.00 0.00 0.93 0.00 0.00 4 K 8.10 3.71 0.00 1.90 1.80 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.55 7.81 5 Q 8.18 3.92 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 6 L 7.91 3.92 0.00 1.79 1.79 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.31 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.22 0.00 2.87 2.83 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 9 A 8.16 4.00 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 10 V 7.93 3.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.96 0.00 0.00 11 E 8.44 3.94 0.00 2.19 1.97 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 2.52 2.49 0.00 12 E 8.36 3.97 0.00 2.19 2.01 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 2.34 2.55 0.00 13 L 8.20 3.95 0.00 1.77 1.84 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.28 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.28 4.04 0.00 4.07 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 16 A 8.22 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.49 4.36 0.00 2.86 2.91 0.00 0.00 6.67 7.00 0.00 0.00 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 Y 8.25 4.09 0.00 2.90 3.12 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 19 H 8.32 4.05 0.00 3.43 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.37 3.91 0.00 1.74 1.82 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.24 3.94 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 22 N 8.05 4.13 0.00 2.65 2.71 0.00 0.00 6.94 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.06 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.05 3.53 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.93 0.00 0.00 25 A 8.21 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 3.86 0.00 1.99 1.97 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 27 L 8.06 3.92 0.00 1.85 1.84 0.91 0.94 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 28 A 8.25 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.91 3.92 0.00 1.92 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 30 A 7.89 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.97 3.77 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 0.84 0.00 0.00 0.95 0.00 0.00 32 G 8.00 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