NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3913 8.2649 123.5868 52.0117 19.5580 176.0814 3 R 4.4659 8.1406 121.3304 54.1306 33.6945 174.3861 4 K 3.7876 9.3269 124.9813 59.8888 33.3862 178.0493 5 A 3.9899 8.2854 119.9131 55.5498 18.0996 178.9000 6 L 4.2147 7.7829 112.8664 56.7841 42.3301 178.1884 7 I 4.2144 7.8956 122.9212 59.8924 35.6001 175.4003 8 E 4.4873 7.6413 117.0201 55.5563 31.0355 178.4181 9 K 3.4415 8.1394 121.1952 59.7768 32.0447 177.5105 10 A 4.0704 7.8994 119.9785 54.0794 18.3047 178.6214 11 K 4.1260 8.3291 114.4930 56.5200 32.1751 178.6198 12 R 3.5725 6.9768 116.9678 56.2573 30.0810 179.2359 13 T 3.5843 7.0466 116.5833 64.9619 65.5278 172.4242 14 P 3.9511 0.0000 0.0000 63.3649 32.3237 179.9747 15 K 3.6263 7.9072 118.3940 57.2124 33.1146 175.6395 16 F 4.5976 8.5422 115.6110 56.3602 43.0508 174.8882 17 K 3.9669 9.1471 126.2524 59.7538 32.4651 178.3454 18 V 3.8742 7.8792 112.5441 63.9979 31.8339 177.9587 19 R 4.2853 8.0221 116.0314 56.5014 29.3010 176.0694 20 A 4.5592 7.8855 121.6730 51.5675 19.7252 177.4678 21 Y 4.9602 8.1323 118.2551 55.6359 41.0623 173.7158 22 T 3.0881 8.5125 106.0777 62.2907 68.9234 170.0610 23 R 4.0087 8.8912 126.0913 54.5039 31.0823 175.9173 24 C 4.3166 7.9924 122.0034 59.7317 32.0096 175.0331 25 V 3.7435 8.9074 126.1713 63.7043 31.5975 177.0201 26 R 4.3663 8.1102 119.5695 57.2985 30.9681 176.1808 27 C 4.5717 8.2705 109.2698 57.4629 31.3511 174.7010 28 G 3.9500 7.9052 108.2806 45.0493 0.0000 174.2622 29 R 4.1527 7.7200 120.8730 56.1236 27.7628 176.3514 30 A 4.2445 8.2394 125.2350 54.3173 18.9920 179.2558 31 R 4.0733 8.1568 115.7939 59.2062 30.6678 177.2790 32 S 4.6792 7.5735 112.6113 56.4721 62.9742 170.6441 33 V 4.5012 7.8945 124.9063 63.3282 32.8573 175.6602 34 Y 4.2077 10.1931 127.2922 57.4369 37.0139 178.2636 35 R 3.5137 7.9530 120.1691 57.9471 31.4842 178.2974 36 F 4.0312 8.3483 121.2994 60.7743 39.3130 176.0293 37 F 4.7632 9.2380 116.3335 55.9392 41.1625 176.0224 38 G 4.4915 8.5773 108.6813 46.0497 0.0000 172.8723 39 L 5.0175 7.4507 118.9799 52.4466 44.2401 176.1952 40 C 4.8765 8.3609 117.2679 57.5352 32.1549 174.7038 41 R 3.8232 8.3846 119.5538 60.3886 28.6452 178.5447 42 I 3.6164 7.8196 119.8756 63.8477 37.1063 177.5571 43 C 4.0740 7.9489 117.8535 62.2719 28.1728 175.8444 44 L 3.5932 7.9936 121.8838 58.3443 41.4088 179.2367 45 R 3.7296 7.5482 117.5640 59.3092 30.1999 177.9416 46 E 3.8673 8.2838 118.7971 59.5527 29.4210 179.5303 47 L 4.0254 8.3964 118.5978 57.9254 41.8965 179.1936 48 A 3.9725 8.3997 120.9489 55.9018 17.9267 179.4439 49 H 4.2574 8.4709 114.1608 59.0043 28.8332 177.9078 50 K 4.2106 8.0967 119.8649 57.7041 32.1136 178.2648 51 G 4.0686 7.7776 105.2517 45.4828 0.0000 174.5328 52 Q 4.0773 7.8971 116.3678 56.4170 28.8869 175.8866 53 L 4.6382 7.2005 119.0048 51.8382 41.9814 174.4403 54 P 4.1960 0.0000 0.0000 64.2194 31.3954 177.5857 55 G 3.8255 8.7588 106.8449 46.4675 0.0000 173.9094 56 V 3.8565 7.8939 119.5212 61.9329 30.1305 174.8687 57 R 4.5643 7.9937 126.4717 53.7518 32.4786 175.1921 58 K 4.2185 8.3129 119.3210 55.5045 32.6797 177.4420 59 A 4.2768 8.5147 126.4591 52.2006 19.1992 176.5978 60 S 4.8209 8.3872 109.6343 57.8766 65.2925 176.6448 61 W 4.3296 8.7874 124.0541 57.3679 27.1947 174.0349 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 2 A 8.26 4.39 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 3 R 8.14 4.47 0.00 1.93 1.80 0.00 3.19 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 4 K 9.33 3.79 0.00 1.82 1.91 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.49 7.81 5 A 8.29 3.99 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 6 L 7.78 4.21 0.00 1.81 1.82 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.90 4.21 1.95 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 1.40 0.71 0.90 0.00 0.00 8 E 7.64 4.49 0.00 2.13 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 0.00 2.31 2.29 0.00 9 K 8.14 3.44 0.00 1.27 1.68 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.58 1.00 7.81 10 A 7.90 4.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.33 4.13 0.00 1.89 1.86 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 12 R 6.98 3.57 0.00 1.86 1.78 0.00 3.32 0.00 0.00 3.20 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 13 T 7.05 3.58 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 14 P 0.00 3.95 0.00 2.57 2.33 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 15 K 7.91 3.63 0.00 1.65 1.91 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.61 1.11 7.81 16 F 8.54 4.60 0.00 3.15 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 17 K 9.15 3.97 0.00 1.87 2.02 0.00 1.49 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 18 V 7.88 3.87 2.11 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 0.86 0.00 0.00 0.97 0.00 0.00 19 R 8.02 4.29 0.00 1.97 2.08 0.00 3.55 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 20 A 7.89 4.56 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 21 Y 8.13 4.96 0.00 3.03 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 22 T 8.51 3.09 4.33 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 1.28 0.00 0.00 23 R 8.89 4.01 0.00 2.00 2.08 0.00 3.23 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.04 0.00 24 C 7.99 4.32 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 25 V 8.91 3.74 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 26 R 8.11 4.37 0.00 1.79 1.98 0.00 3.19 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 27 C 8.27 4.57 0.00 3.10 3.01 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 28 G 7.91 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.72 4.15 0.00 1.93 1.90 0.00 3.26 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 30 A 8.24 4.24 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 31 R 8.16 4.07 0.00 1.78 2.00 0.00 3.23 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 32 S 7.57 4.68 0.00 3.94 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 33 V 7.89 4.50 2.16 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 0.96 0.00 0.00 1.10 0.00 0.00 34 Y 10.19 4.21 0.00 3.13 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 35 R 7.95 3.51 0.00 2.03 2.00 0.00 3.21 0.00 0.00 3.31 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 36 F 8.35 4.03 0.00 3.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.24 4.76 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.58 4.49 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 39 L 7.45 5.02 0.00 1.51 1.49 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.36 4.88 0.00 3.19 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 41 R 8.38 3.82 0.00 2.14 2.42 0.00 2.78 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 42 I 7.82 3.62 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.68 0.88 0.00 0.00 43 C 7.95 4.07 0.00 3.05 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 44 L 7.99 3.59 0.00 1.28 1.72 0.46 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.55 3.73 0.00 1.82 1.84 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.57 0.00 46 E 8.28 3.87 0.00 2.09 1.97 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 2.28 2.54 0.00 47 L 8.40 4.03 0.00 1.74 1.70 0.93 0.81 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 48 A 8.40 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.47 4.26 0.00 3.35 3.38 0.00 5.86 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.10 4.21 0.00 1.91 1.88 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.62 7.81 51 G 7.78 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.90 4.08 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 53 L 7.20 4.64 0.00 1.84 1.83 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.20 0.00 2.25 2.23 0.00 3.94 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 55 G 8.76 3.83 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 0.00 0.00 0.00 56 V 7.89 3.86 2.29 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 0.85 0.00 0.00 1.26 0.00 0.00 57 R 7.99 4.56 0.00 1.80 1.81 0.00 3.29 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 58 K 8.31 4.22 0.00 1.81 1.77 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.42 7.81 59 A 8.51 4.28 1.40 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 0.00 0.00 60 S 8.39 4.82 0.00 3.90 3.83 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 61 W 8.79 4.33 0.00 3.37 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