NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.6729 8.3549 109.7286 44.6560 0.0000 174.7371 0 H 4.5869 8.5619 126.9928 52.3760 29.3715 172.5846 2 I 4.6567 8.4892 117.5329 59.4011 41.1666 173.8656 3 W 4.6847 8.6700 120.7633 54.9393 31.3422 175.7185 4 I 4.5632 8.5299 122.0379 59.7650 38.4449 175.4830 5 V 4.5752 8.3826 118.5829 59.1954 34.3932 175.8819 6 G 3.9220 8.5357 112.5491 45.2173 0.0000 173.9224 7 S 4.2529 8.6480 116.3058 58.1943 63.9716 174.7528 8 G 3.9016 8.2013 107.1653 45.3831 0.0000 172.2791 9 T 4.3446 8.5675 112.5865 64.6738 70.0929 175.7922 10 C 4.9544 8.9532 117.1928 54.5260 42.6841 173.8888 11 R 4.0369 8.2384 120.6665 57.7704 30.0592 177.1305 12 G 3.8138 8.9145 110.0740 47.3138 0.0000 173.6520 13 Q 4.5995 8.0096 114.2003 55.1843 30.3604 175.7807 14 T 4.3155 7.8150 108.1422 61.2066 70.3038 174.6570 15 T 4.5270 7.9674 113.7862 60.3589 72.1091 175.4983 16 E 3.9083 8.6598 121.9033 59.8877 29.4565 179.7607 17 R 3.8277 7.8546 117.7556 58.9228 30.2795 178.0016 18 A 3.8398 7.6630 120.7137 55.0206 18.2297 179.8294 19 K 3.8571 7.9141 116.7718 59.5183 32.0640 179.2747 20 E 3.8764 7.7250 118.8920 59.6084 29.3074 179.4246 21 I 3.4347 7.4058 119.4927 64.5903 36.8755 178.6345 22 I 3.7075 7.5433 119.2248 64.1879 36.9144 178.1521 23 E 4.1020 8.1236 119.1872 59.3857 29.4938 178.9559 24 R 4.1508 7.9761 114.6730 55.9885 30.7182 176.8753 25 A 4.2286 7.1410 123.0936 52.1733 19.0161 177.5890 26 E 4.3428 8.7541 121.0697 57.9381 30.4115 177.3170 27 V 4.6926 7.4594 115.9290 59.9585 35.0465 174.9656 28 I 4.6181 8.6527 123.4894 59.8950 40.2059 173.9927 29 Y 5.0729 8.7801 124.4638 55.8914 40.2196 175.5968 30 G 4.1115 8.0994 111.8108 44.0612 0.0000 173.6348 31 S 4.3537 7.8228 115.6636 57.7515 64.9593 175.4162 32 R 3.8856 8.4915 122.1678 59.7748 29.8018 178.8341 33 R 4.1619 8.0144 115.0731 59.1519 29.4196 178.4470 34 A 3.9932 7.9288 121.0487 55.0099 18.3416 179.6366 35 L 3.9544 8.0443 117.4872 57.9272 41.5902 179.3095 36 E 3.9301 8.8078 118.8027 59.4473 29.2358 179.0557 37 L 3.9353 8.1052 118.1890 58.1287 41.9834 179.1826 38 A 4.2837 7.8976 116.7682 51.6946 18.6366 177.2088 39 G 3.8819 8.7560 105.9216 46.9117 0.0000 175.0866 40 V 4.4925 8.0815 109.0196 60.4024 33.7654 178.3455 41 V 3.5899 8.0161 121.4797 64.2090 31.1719 176.4971 42 D 4.7321 7.8274 117.6955 53.7726 40.9169 175.9232 43 D 4.5430 7.9393 120.5522 53.9607 41.7943 177.2513 44 S 4.2670 8.4272 118.3261 61.0603 63.6380 175.4537 45 R 4.1786 8.2525 118.9739 57.5093 31.0700 176.5534 46 A 5.0277 7.3362 121.1416 50.7752 20.4529 177.9147 *247 R 4.7874 8.3668 118.7555 56.5875 30.7317 175.6482 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 8.35 3.67 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 0.00 0.00 0.00 0 H 8.56 4.59 0.00 3.23 3.27 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.49 4.66 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 1.39 0.38 0.93 0.00 0.00 3 W 8.67 4.68 0.00 3.26 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 4 I 8.53 4.56 1.94 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 1.46 0.64 0.96 0.00 0.00 5 V 8.38 4.58 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 0.79 0.00 0.00 0.95 0.00 0.00 6 G 8.54 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 7 S 8.65 4.25 0.00 3.99 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 8 G 8.20 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 0.00 0.00 0.00 9 T 8.57 4.34 4.38 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 1.21 0.00 0.00 10 C 8.95 4.95 0.00 2.88 2.98 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 11 R 8.24 4.04 0.00 1.79 1.87 0.00 3.40 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 12 G 8.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.01 4.60 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 14 T 7.82 4.32 4.22 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 1.25 0.00 0.00 15 T 7.97 4.53 4.22 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 1.20 0.00 0.00 16 E 8.66 3.91 0.00 2.00 2.03 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 2.38 2.37 0.00 17 R 7.85 3.83 0.00 1.80 1.80 0.00 3.13 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 18 A 7.66 3.84 1.31 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 0.00 0.00 19 K 7.91 3.86 0.00 1.96 1.82 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.59 7.81 20 E 7.72 3.88 0.00 1.78 1.92 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 2.52 2.43 0.00 21 I 7.41 3.43 1.65 0.00 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.40 0.44 0.00 0.00 22 I 7.54 3.71 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.53 0.88 0.00 0.00 23 E 8.12 4.10 0.00 2.07 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 2.32 2.44 0.00 24 R 7.98 4.15 0.00 1.73 1.97 0.00 3.13 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 25 A 7.14 4.23 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.34 0.00 2.00 2.03 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 2.29 2.31 0.00 27 V 7.46 4.69 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 0.88 0.00 0.00 0.61 0.00 0.00 28 I 8.65 4.62 1.81 0.00 0.00 0.84 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 1.16 0.92 0.00 0.00 29 Y 8.78 5.07 0.00 2.82 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 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 31 S 7.82 4.35 0.00 4.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 3.89 0.00 1.90 1.98 0.00 3.18 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 33 R 8.01 4.16 0.00 2.08 2.18 0.00 3.03 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 34 A 7.93 3.99 1.41 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 0.00 0.00 0.00 35 L 8.04 3.95 0.00 1.87 1.80 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.81 3.93 0.00 2.11 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 0.00 2.33 2.45 0.00 37 L 8.11 3.94 0.00 1.80 1.77 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.90 4.28 1.31 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 0.00 0.00 39 G 8.76 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.49 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 0.79 0.00 0.00 0.92 0.00 0.00 41 V 8.02 3.59 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 0.71 0.00 0.00 0.92 0.00 0.00 42 D 7.83 4.73 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.94 4.54 0.00 2.83 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.43 4.27 0.00 4.00 3.96 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 45 R 8.25 4.18 0.00 1.87 2.04 0.00 3.27 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 46 A 7.34 5.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *247 R 8.37 4.79 0.00 1.22 1.74 0.00 3.51 0.00 0.00 3.37 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.86 0.00 * Residues marked with a * may have inaccurate shift predictions.