NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4770 8.1933 115.2970 58.0830 63.6380 174.6436 5 S 4.0799 8.6175 124.0345 60.2137 62.4647 174.8148 6 L 3.9662 8.1054 122.6860 58.1116 42.6560 177.6531 7 Y 4.2895 8.0279 118.9919 60.7029 39.0045 177.3185 8 K 4.1685 8.0424 119.7186 59.8777 31.9598 179.3198 9 T 3.6659 7.6558 108.7150 63.9722 68.4496 175.5780 10 F 4.3238 7.4453 118.7286 58.3150 40.0887 176.8567 11 F 4.8559 7.4571 113.7010 55.1000 41.8220 175.6369 12 K 3.6579 8.7466 113.1000 58.2512 29.0346 174.6762 13 R 3.8986 8.3951 113.0643 56.6993 29.3545 176.6973 14 N 4.9169 7.9671 114.8434 51.8733 40.2862 174.6850 15 A 4.5304 8.2725 122.7139 50.4935 19.7109 177.7320 16 V 3.2466 7.8782 119.7573 62.7019 32.2266 176.7739 17 F 4.7977 8.3236 125.2253 56.6758 41.1503 176.9469 18 V 3.3059 8.3446 114.6863 64.7483 31.2882 178.8077 19 G 3.8856 8.0997 104.4514 48.5359 0.0000 175.4980 20 T 3.9328 7.8566 117.7874 66.0896 68.4589 176.5732 21 I 3.6702 7.7546 121.8879 64.5173 37.1865 178.3257 22 F 4.6807 8.6644 118.5016 60.8368 38.8070 177.4620 23 A 3.9480 8.5642 120.8317 55.3420 18.0871 179.9793 24 G 3.6449 8.9907 104.2346 47.8192 0.0000 175.7692 25 A 4.2237 8.5424 123.4051 55.1642 18.4925 179.7994 26 F 4.0988 8.8154 116.4080 60.6296 39.0684 178.1705 27 V 3.7898 7.9665 117.5846 65.9499 31.3480 177.7555 28 F 4.1453 8.7704 120.8765 61.3754 39.1945 176.9123 29 Q 3.9246 8.2995 117.5129 59.4447 28.5782 178.9454 30 T 3.8172 7.4513 114.9784 66.7908 68.5609 176.7422 31 V 3.5520 7.6918 119.6242 66.0662 31.5961 177.9415 32 F 4.0176 8.2389 120.7436 61.0372 39.0232 176.5768 33 D 4.0711 8.0706 117.6441 57.5779 40.9843 178.1651 34 T 3.7958 7.7133 115.8856 66.7862 68.5300 176.2922 35 A 3.9902 7.7894 122.3411 55.2156 18.3576 179.8617 36 I 3.5923 7.4758 118.1389 64.7671 37.2103 178.7260 37 T 3.9503 8.1020 116.9739 66.6013 68.3223 176.5456 38 S 4.0677 8.4089 115.3233 61.1755 62.4558 176.0583 39 W 3.9785 8.3022 130.9365 60.5409 30.2718 177.1776 40 Y 4.2394 8.7018 118.4993 61.0207 38.4657 177.6912 41 E 3.9884 8.8574 119.7743 59.3244 29.4145 178.9267 42 N 4.1555 7.9597 117.0260 56.8549 38.7984 176.4950 43 H 3.7932 7.6175 118.4956 57.8856 30.0667 175.7342 44 N 4.7841 7.2562 118.3285 51.4275 40.0017 174.3913 45 K 4.2090 7.0125 121.9139 57.7886 32.7929 176.4526 46 G 4.0211 9.8244 115.0822 45.2032 0.0000 174.4093 47 K 4.2712 7.2998 117.0111 57.8198 33.3158 177.9915 48 L 4.2466 7.5521 117.9793 54.1648 43.5582 177.8010 49 W 4.4217 8.7866 130.8575 60.5824 30.3710 178.5012 50 K 3.8605 8.0835 118.3549 59.9468 31.4770 178.7632 51 D 4.2889 7.8329 119.6452 57.0626 40.8277 178.6697 52 V 3.5032 7.4957 118.8025 65.5368 31.2615 178.0206 53 K 3.1626 7.4647 118.9163 58.9546 31.9000 178.3675 54 A 4.0035 7.0997 119.1362 54.9607 18.3209 179.5688 55 R 4.1605 7.1617 115.0642 58.6645 30.7296 178.8549 56 I 3.9198 7.6277 124.8486 61.4478 36.5347 175.2668 57 A 4.6460 8.0406 124.0079 51.1997 20.1904 175.9344 58 A 4.1685 7.7545 125.3576 53.1456 19.1471 176.6803 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 4 S 8.19 4.48 0.00 3.91 3.91 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 5 S 8.62 4.08 0.00 3.99 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 6 L 8.11 3.97 0.00 1.68 1.82 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.03 4.29 0.00 3.19 3.18 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 0.00 8 K 8.04 4.17 0.00 1.80 1.88 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.86 7.81 9 T 7.66 3.67 3.69 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 1.06 0.00 0.00 10 F 7.45 4.32 0.00 2.19 1.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.46 4.86 0.00 2.32 2.89 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 0.00 0.00 0.00 12 K 8.75 3.66 0.00 1.89 1.78 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.60 7.81 13 R 8.40 3.90 0.00 2.11 2.16 0.00 3.05 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 14 N 7.97 4.92 0.00 3.01 2.78 0.00 0.00 6.89 7.26 0.00 0.00 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 8.27 4.53 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 16 V 7.88 3.25 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.08 0.00 0.00 17 F 8.32 4.80 0.00 3.01 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 18 V 8.34 3.31 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.76 0.00 0.00 19 G 8.10 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.86 3.93 4.35 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 1.28 0.00 0.00 21 I 7.75 3.67 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.84 0.91 0.00 0.00 22 F 8.66 4.68 0.00 3.09 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 23 A 8.56 3.95 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 24 G 8.99 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.54 4.22 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.82 4.10 0.00 3.24 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 3.79 2.33 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 1.07 0.00 0.00 1.08 0.00 0.00 28 F 8.77 4.15 0.00 3.24 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 Q 8.30 3.92 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 30 T 7.45 3.82 4.40 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 1.22 0.00 0.00 31 V 7.69 3.55 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.01 0.00 0.00 32 F 8.24 4.02 0.00 1.88 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.07 0.00 2.93 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.71 3.80 4.35 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 1.20 0.00 0.00 35 A 7.79 3.99 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 36 I 7.48 3.59 1.59 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.33 0.72 0.00 0.00 37 T 8.10 3.95 4.36 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 1.26 0.00 0.00 38 S 8.41 4.07 0.00 4.00 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 39 W 8.30 3.98 0.00 3.57 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 40 Y 8.70 4.24 0.00 3.16 3.25 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 41 E 8.86 3.99 0.00 2.04 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 2.39 2.61 0.00 42 N 7.96 4.16 0.00 2.79 2.75 0.00 0.00 6.84 7.82 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 43 H 7.62 3.79 0.00 1.83 2.75 0.00 5.97 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.26 4.78 0.00 2.38 2.57 0.00 0.00 6.50 7.82 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 45 K 7.01 4.21 0.00 1.74 1.61 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.31 7.81 46 G 9.82 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.30 4.27 0.00 1.86 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.35 7.81 48 L 7.55 4.25 0.00 1.87 1.61 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.79 4.42 0.00 3.34 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.08 3.86 0.00 1.93 2.03 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.47 7.81 51 D 7.83 4.29 0.00 2.84 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 52 V 7.50 3.50 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.01 0.00 0.00 53 K 7.46 3.16 0.00 0.79 1.40 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 1.07 7.81 54 A 7.10 4.00 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 55 R 7.16 4.16 0.00 1.88 1.95 0.00 3.11 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 56 I 7.63 3.92 1.78 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 1.57 0.77 0.93 0.00 0.00 57 A 8.04 4.65 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.75 4.17 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00