NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3274 8.4293 121.4598 55.6686 31.6887 174.7654 2 E 4.3215 7.4718 114.0083 54.5561 31.0631 171.4774 3 Y 3.9370 8.8422 114.6239 61.7909 40.3253 179.3318 4 K 4.0498 7.0250 128.0756 54.1874 34.3229 175.4946 5 C 3.1952 7.8660 121.7005 59.1268 30.1404 172.2760 6 Y 5.1517 6.9776 117.1086 56.1873 39.7556 175.2544 7 C 4.3850 8.7969 126.1623 59.3550 32.6311 173.5853 8 T 5.5982 8.3286 115.5998 60.4427 69.9409 173.5203 9 D 4.6118 8.5841 121.7547 55.2795 42.6648 174.7164 10 T 4.9589 7.2376 111.2595 60.1508 71.3253 173.5244 11 Y 4.8433 7.9939 118.1389 57.9471 42.3083 175.2626 12 S 4.9926 8.6969 115.3281 58.4508 63.5648 173.5541 13 D 3.3700 7.0803 118.4384 52.8674 43.2490 176.1155 14 C 3.6141 7.4013 120.9117 56.7232 41.6188 172.7435 15 P 3.9354 0.0000 0.0000 61.4578 31.5474 177.5796 16 G 3.4923 7.9087 108.8205 48.2533 0.0000 174.7615 17 F 4.4396 6.5746 113.4354 58.1418 38.5463 176.3293 18 C 4.9643 6.8001 121.7836 53.6039 42.8577 173.9667 19 K 3.5290 8.0442 121.4065 58.7429 32.5190 177.8396 20 T 4.5030 7.4807 116.6466 61.9149 69.6326 171.0687 21 C 5.4628 8.2784 120.0023 55.7482 45.0818 172.8633 22 K 4.7038 8.7570 115.9014 55.3738 36.3856 175.4619 23 A 3.7715 8.0840 126.6118 50.3820 19.2558 176.2651 24 E 4.0222 7.7627 120.9450 55.5977 32.9489 176.2825 25 F 3.8509 9.6695 113.8856 57.6706 36.9874 175.3537 26 G 4.0348 8.2733 109.7129 45.2033 0.0000 173.5871 27 K 4.8214 7.8011 118.7382 55.6781 36.0862 174.7783 28 Y 5.4014 8.6101 116.4969 55.9417 42.3103 175.0038 29 I 5.0573 8.2285 119.5763 60.2149 41.6582 175.1956 30 C 5.0989 9.2598 127.4329 55.2666 45.4322 173.0226 31 L 5.1279 8.0511 126.7539 55.2097 41.9498 175.4203 32 D 5.0058 8.0827 116.9230 52.6300 44.3704 175.9160 33 L 5.1598 8.1991 118.1035 53.7759 44.4533 176.5054 34 I 4.3528 8.1580 122.7947 60.8338 41.5549 175.5733 35 S 4.5545 8.0559 115.0459 57.7151 63.5017 173.5609 36 P 4.6516 0.0000 0.0000 62.0218 32.0048 177.1404 37 N 4.1396 6.9179 112.9189 53.7479 41.8225 172.9398 38 D 4.3705 8.9786 116.4059 56.1723 41.5086 177.2393 39 C 4.6725 7.2460 112.4979 60.2146 32.0799 173.5273 40 V 4.1845 8.2838 118.3626 63.4731 31.4911 175.9289 41 K 4.1388 8.1396 122.9816 56.7474 32.1282 175.2930 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 E 8.43 4.33 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 2 E 7.47 4.32 0.00 2.19 1.90 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 2.09 2.47 0.00 3 Y 8.84 3.94 0.00 2.90 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 4 K 7.03 4.05 0.00 0.79 1.17 0.00 1.76 0.00 0.00 1.48 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.03 0.88 7.81 5 C 7.87 3.20 0.00 2.88 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.98 5.15 0.00 2.91 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 7 C 8.80 4.38 0.00 3.06 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 5.60 4.34 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 1.43 0.00 0.00 9 D 8.58 4.61 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.24 4.96 4.21 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 0.00 0.00 0.00 1.27 0.00 0.00 11 Y 7.99 4.84 0.00 3.04 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 12 S 8.70 4.99 0.00 3.89 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 13 D 7.08 3.37 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.40 3.61 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 3.94 0.00 0.49 0.78 0.00 3.42 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.44 0.00 16 G 7.91 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.57 4.44 0.00 3.11 3.21 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 0.00 0.00 0.00 0.00 18 C 6.80 4.96 0.00 3.08 2.70 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 19 K 8.04 3.53 0.00 1.84 1.87 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.46 7.81 20 T 7.48 4.50 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 21 C 8.28 5.46 0.00 3.39 3.13 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 0.00 0.00 0.00 0.00 22 K 8.76 4.70 0.00 1.69 1.57 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.46 7.81 23 A 8.08 3.77 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.76 4.02 0.00 1.16 1.12 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 1.79 2.09 0.00 25 F 9.67 3.85 0.00 3.31 3.13 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 0.00 0.00 0.00 0.00 26 G 8.27 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.80 4.82 0.00 1.93 2.09 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.78 1.53 7.81 28 Y 8.61 5.40 0.00 3.39 3.31 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 0.00 29 I 8.23 5.06 1.97 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.99 1.04 0.00 0.00 30 C 9.26 5.10 0.00 3.68 3.42 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 31 L 8.05 5.13 0.00 1.74 1.61 0.99 1.22 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 32 D 8.08 5.01 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.20 5.16 0.00 1.50 1.57 0.98 0.89 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 34 I 8.16 4.35 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.11 0.89 0.00 0.00 35 S 8.06 4.55 0.00 3.73 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.65 0.00 2.19 2.12 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 37 N 6.92 4.14 0.00 2.83 2.82 0.00 0.00 6.78 7.89 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 38 D 8.98 4.37 0.00 2.63 2.69 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 0.00 0.00 0.00 0.00 39 C 7.25 4.67 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.28 4.18 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 0.84 0.00 0.00 0.83 0.00 0.00 41 K 8.14 4.14 0.00 1.88 1.72 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.33 7.81