NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1737 8.2649 123.5736 52.3118 19.9036 176.1548 2 C 4.7218 7.8913 115.9127 55.1383 39.2920 172.1491 3 Y 4.7667 9.1131 119.1561 56.2247 42.5054 173.9611 4 C 5.1728 9.0464 121.5034 57.4586 41.1089 173.3061 5 R 5.3109 9.8383 122.3941 54.7253 34.4150 174.3945 6 I 4.8063 8.2475 121.3636 59.1687 40.3047 173.9022 7 P 4.2110 0.0000 0.0000 64.9630 31.7839 175.4082 8 A 4.6302 7.3728 119.1774 50.6386 22.2065 175.8137 9 C 4.6032 8.4305 116.4666 56.7690 39.2168 174.3491 10 I 3.9506 8.6437 122.8975 60.7238 37.3211 175.9191 11 A 4.1347 8.4370 126.4484 54.3313 18.5371 177.0617 12 G 4.1114 8.9429 109.7654 45.5815 0.0000 174.0632 13 E 4.3435 8.0988 118.4333 55.9913 30.3425 175.8518 14 R 4.6305 8.6517 117.8148 54.2920 32.0260 175.2907 15 R 4.6024 8.7724 123.4504 56.6042 30.0709 175.5074 16 A 4.5739 9.3646 128.7010 51.3155 20.0110 177.5859 17 G 4.0814 7.3029 102.5912 46.2489 0.0000 171.6963 18 T 5.3393 8.2877 110.2545 60.5564 72.3535 174.1681 19 C 5.2152 9.5234 119.5388 55.2619 44.4783 173.0784 20 I 5.2690 8.1234 121.6309 59.9946 39.5863 174.6559 21 Y 4.7381 9.3658 125.4990 58.1770 42.1047 174.1091 22 Q 3.4349 9.3753 125.0765 56.9859 26.5081 174.4260 23 G 3.9684 8.5301 101.3324 46.1829 0.0000 174.1371 24 R 4.6752 7.9115 116.8472 53.7945 33.9278 173.8071 25 L 5.0767 8.3782 122.1829 54.0990 43.0851 175.7126 26 W 4.9547 9.7987 125.9626 54.7249 32.7386 174.8742 27 A 4.6312 9.0432 125.0002 51.7617 19.7497 176.4809 28 F 5.1185 9.3532 125.6863 57.4235 40.7706 173.7582 29 C 5.3341 8.8990 125.0992 55.3066 40.7141 173.8105 30 C 4.4841 9.0587 121.0182 56.9243 41.3898 173.9662 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 A 8.26 4.17 0.98 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 2 C 7.89 4.72 0.00 2.30 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 0.00 0.00 0.00 3 Y 9.11 4.77 0.00 2.77 2.78 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 4 C 9.05 5.17 0.00 2.65 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 5 R 9.84 5.31 0.00 1.84 1.87 0.00 3.11 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 6 I 8.25 4.81 1.05 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.36 0.59 0.00 0.00 7 P 0.00 4.21 0.00 2.13 2.10 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 8 A 7.37 4.63 1.22 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 0.00 0.00 9 C 8.43 4.60 0.00 2.99 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 3.95 1.94 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 1.36 0.88 0.90 0.00 0.00 11 A 8.44 4.13 1.25 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 0.00 0.00 0.00 12 G 8.94 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 13 E 8.10 4.34 0.00 2.06 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 2.35 2.33 0.00 14 R 8.65 4.63 0.00 1.84 2.03 0.00 2.77 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 15 R 8.77 4.60 0.00 1.89 1.95 0.00 3.26 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 16 A 9.36 4.57 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 17 G 7.30 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.29 5.34 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 19 C 9.52 5.22 0.00 2.86 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.12 5.27 1.94 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 1.33 0.70 1.00 0.00 0.00 21 Y 9.37 4.74 0.00 2.75 2.40 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 22 Q 9.38 3.43 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.26 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 23 G 8.53 3.97 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 0.00 0.00 0.00 24 R 7.91 4.68 0.00 1.86 1.58 0.00 2.91 0.00 0.00 2.85 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 25 L 8.38 5.08 0.00 1.68 1.59 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.80 4.95 0.00 3.32 3.36 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 27 A 9.04 4.63 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 28 F 9.35 5.12 0.00 3.17 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 29 C 8.90 5.33 0.00 2.93 3.08 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 0.00 0.00 0.00 0.00 30 C 9.06 4.48 0.00 2.76 2.86 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 0.00 0.00 0.00