NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2379 8.1593 110.9368 61.2840 70.6923 173.9824 2 T 4.1297 7.4190 113.7477 60.1375 71.6496 173.8746 3 W 4.3702 8.7165 121.6215 60.1875 29.4514 179.5728 4 E 4.3017 8.5217 118.4173 59.3848 29.2058 178.5480 5 A 4.0492 8.1554 120.6435 54.6712 18.2737 179.5211 6 W 4.0143 8.6214 127.3264 60.8509 30.9553 177.7160 7 D 4.3698 9.0889 119.3269 57.6541 40.2265 179.3864 8 R 3.8847 8.3275 118.0531 59.2527 30.1677 178.9306 9 A 4.0475 7.9723 120.4821 55.1638 18.2649 179.5769 10 I 3.3928 7.6332 118.2836 64.5616 37.2545 178.5021 11 A 3.9153 7.8869 121.3518 54.9348 18.1278 179.2481 12 E 3.7506 8.3918 118.0034 59.8832 29.7203 178.8150 13 Y 3.8552 8.2297 116.2285 60.3356 37.8935 177.9476 14 A 3.9631 8.3364 122.1795 55.0698 18.4921 179.4778 15 A 4.1825 7.7186 120.2209 54.8037 18.3902 179.8100 16 R 3.7663 7.7462 116.5301 59.6827 30.1353 179.2826 17 I 3.7048 7.9605 119.4061 64.4912 36.9286 178.3049 18 E 3.9513 8.3543 119.1339 59.4707 29.3614 179.3998 19 A 4.0053 8.0328 120.7502 54.9721 18.3529 179.6743 20 L 3.9424 8.2062 117.8438 57.9995 41.6319 179.8112 21 I 3.6985 8.1517 120.1192 64.5044 37.0317 178.6717 22 R 4.1518 8.3919 119.9727 58.6559 29.9584 179.0461 23 A 3.9825 7.9546 120.2747 55.0104 18.3381 179.5582 24 A 3.9859 8.2997 119.5805 55.1925 18.4439 180.0423 25 Q 3.9080 8.2310 117.0257 59.1777 28.8144 178.7297 26 E 4.3731 8.3129 119.7422 58.5210 29.6135 178.4418 27 Q 4.0640 8.0181 119.9799 58.1043 29.1822 177.4470 28 Q 3.9646 8.2838 121.2093 58.9687 28.5401 177.7589 29 E 3.9546 8.0943 119.5545 59.4947 29.5741 179.5812 30 K 4.0029 7.7455 118.3431 59.5525 32.0487 179.2512 31 N 4.3460 8.1800 116.7070 56.2956 38.2410 177.3086 32 E 3.9196 8.1271 118.5999 59.5208 29.8652 178.7258 33 A 4.0449 8.2624 120.5954 55.4557 18.4373 179.2566 34 A 3.9423 8.2631 118.2162 55.4377 18.2626 179.6641 35 L 4.0133 8.1349 118.0016 57.3215 42.2587 178.2866 36 R 4.3469 7.6609 113.7562 56.6400 30.0553 177.0138 37 E 4.2619 7.8075 119.2120 57.6776 30.1917 175.0071 38 L 4.1282 7.8383 124.8079 55.1896 42.1498 176.1250 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 T 8.16 4.24 4.18 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 0.00 0.00 0.00 1.19 0.00 0.00 2 T 7.42 4.13 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 3 W 8.72 4.37 0.00 3.53 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.52 4.30 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 5 A 8.16 4.05 1.42 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 0.00 0.00 0.00 6 W 8.62 4.01 0.00 3.36 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.09 4.37 0.00 3.02 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 3.88 0.00 2.04 1.99 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 9 A 7.97 4.05 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 10 I 7.63 3.39 1.48 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 -0.36 0.64 0.00 0.00 11 A 7.89 3.92 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 12 E 8.39 3.75 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.16 0.00 13 Y 8.23 3.86 0.00 3.20 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 14 A 8.34 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 15 A 7.72 4.18 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.75 3.77 0.00 1.93 1.93 0.00 2.78 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 17 I 7.96 3.70 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.92 0.00 0.00 18 E 8.35 3.95 0.00 2.22 1.99 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 2.33 2.34 0.00 19 A 8.03 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 3.94 0.00 1.85 1.73 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.15 3.70 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.72 0.91 0.00 0.00 22 R 8.39 4.15 0.00 1.97 1.98 0.00 3.13 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 23 A 7.95 3.98 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.30 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.23 3.91 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 26 E 8.31 4.37 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 27 Q 8.02 4.06 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 28 Q 8.28 3.96 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 29 E 8.09 3.95 0.00 2.30 1.99 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 2.33 2.52 0.00 30 K 7.75 4.00 0.00 1.76 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 31 N 8.18 4.35 0.00 2.75 2.86 0.00 0.00 7.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.13 3.92 0.00 2.17 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 2.35 2.33 0.00 33 A 8.26 4.04 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 34 A 8.26 3.94 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 35 L 8.13 4.01 0.00 1.74 1.92 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.66 4.35 0.00 2.02 2.02 0.00 3.11 0.00 0.00 3.15 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.62 0.00 37 E 7.81 4.26 0.00 2.10 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 0.00 2.24 2.29 0.00 38 L 7.84 4.13 0.00 1.85 1.69 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00