NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9172 8.3393 109.7364 45.5051 0.0000 173.8409 0 S 4.1885 8.2961 114.6662 56.8232 65.0610 172.9490 1 R 3.8539 8.7630 122.3977 60.1788 30.0476 179.4033 2 M 4.0189 7.9612 117.0788 58.4625 32.2586 177.8723 3 K 4.4728 8.0475 121.1381 59.1986 32.3872 178.8071 4 Q 3.9931 8.4912 118.7955 58.8137 28.6184 178.5936 5 L 3.9615 7.7896 121.1417 58.0581 42.1826 178.6932 6 E 3.9685 8.2708 118.5674 59.7384 29.4406 179.1766 7 D 4.3735 8.4380 119.1004 57.2842 40.8855 178.8404 8 K 3.9992 8.1720 120.1883 59.2529 32.0902 179.1718 9 V 3.5957 7.9024 118.7714 65.8276 31.3889 177.7334 10 E 3.9351 8.1415 118.3405 59.6495 29.3454 179.1008 11 E 3.9577 8.1313 118.3733 59.6679 29.5548 179.6039 12 L 4.1002 8.0751 118.7625 57.7532 41.6389 179.6001 13 L 4.0800 8.1501 119.1617 57.5830 41.4746 179.7546 14 S 4.0897 8.2559 115.5056 61.5744 62.8376 176.6915 15 K 3.9947 8.4440 121.6062 59.6216 31.7625 178.9457 16 N 4.3551 8.3855 117.2683 56.6066 38.8865 176.2670 17 Y 4.0845 8.0774 121.0485 61.1046 38.8693 177.8632 18 H 4.1725 8.1829 116.9943 59.0207 28.7696 177.8376 19 L 3.9859 8.0259 120.7102 57.4987 41.3161 179.0673 20 E 3.8560 8.2317 119.4015 59.3935 29.4866 178.6935 21 N 4.1650 7.7281 116.2702 56.2829 38.5977 177.1581 22 E 3.9082 8.1743 119.8863 59.4788 29.4866 179.4223 23 I 3.6559 8.0770 119.8438 64.4591 37.0689 178.2980 24 A 3.9406 8.1392 121.6061 55.0271 18.2642 179.6094 25 R 3.7998 8.1787 117.3149 59.7528 30.2947 178.7995 26 I 3.6911 7.7952 119.5289 64.2082 36.8347 178.0598 27 K 3.8396 8.0489 119.7289 59.7915 31.8805 178.6034 28 K 4.1386 7.9060 118.4842 59.3685 31.7242 179.4079 29 L 4.0613 7.7008 118.2605 56.8918 41.5918 178.8091 30 V 4.3178 7.4625 109.6448 60.1748 32.1319 176.0981 31 G 3.9751 7.0046 108.4378 44.0125 0.0000 173.5776 32 E 4.2032 8.3659 119.0740 56.3674 30.1267 177.7333 33 R 4.1828 8.2497 120.6455 56.7839 31.1780 174.9031 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 8.34 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.30 4.19 0.00 4.14 4.01 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 0.00 0.00 0.00 1 R 8.76 3.85 0.00 1.89 1.99 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 2 M 7.96 4.02 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 3 K 8.05 4.47 0.00 1.88 1.89 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.34 7.81 4 Q 8.49 3.99 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 5 L 7.79 3.96 0.00 1.72 1.83 0.92 1.44 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 6 E 8.27 3.97 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 2.45 0.00 7 D 8.44 4.37 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 4.00 0.00 1.98 1.80 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 V 7.90 3.60 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 1.05 0.00 0.00 0.98 0.00 0.00 10 E 8.14 3.94 0.00 2.17 1.98 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 2.53 2.50 0.00 11 E 8.13 3.96 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 12 L 8.08 4.10 0.00 1.94 1.72 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.15 4.08 0.00 1.88 1.71 0.97 0.76 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 14 S 8.26 4.09 0.00 4.07 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 15 K 8.44 3.99 0.00 1.92 1.89 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.58 7.81 16 N 8.39 4.36 0.00 2.97 2.85 0.00 0.00 6.85 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 17 Y 8.08 4.08 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.18 4.17 0.00 3.42 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.03 3.99 0.00 1.83 1.70 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.23 3.86 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 21 N 7.73 4.17 0.00 2.73 2.72 0.00 0.00 7.08 7.69 0.00 0.00 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 E 8.17 3.91 0.00 2.14 1.98 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 2.30 2.44 0.00 23 I 8.08 3.66 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.89 0.00 0.00 24 A 8.14 3.94 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 25 R 8.18 3.80 0.00 1.90 2.10 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 26 I 7.80 3.69 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.07 0.90 0.00 0.00 27 K 8.05 3.84 0.00 1.86 2.03 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 28 K 7.91 4.14 0.00 1.98 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 29 L 7.70 4.06 0.00 1.84 1.72 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.46 4.32 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 0.78 0.00 0.00 1.02 0.00 0.00 31 G 7.00 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 32 E 8.37 4.20 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 33 R 8.25 4.18 0.00 1.74 1.75 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00