NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.5916 8.3331 118.3220 58.1796 30.7248 173.0182 7 G 5.2852 7.0760 112.3580 45.9696 0.0000 170.4353 8 K 5.5487 8.1583 120.7203 54.6875 37.4221 172.5136 9 C 5.0180 8.1149 119.3053 57.2967 35.0222 173.2977 10 W 3.9192 8.0873 130.8400 58.7751 30.2278 175.6959 11 K 3.8493 8.1396 132.2765 57.3645 29.9762 176.8770 12 T 4.4079 7.1337 110.7838 60.2230 67.9299 174.3895 13 F 4.4921 8.5480 130.9347 57.9312 36.3945 173.5693 14 T 4.6188 7.5963 115.5940 61.6392 70.3917 175.1949 15 D 5.2078 9.0623 127.0639 53.9232 41.6822 175.7398 16 E 4.6916 8.6139 120.2866 54.4278 33.0750 175.0541 17 Q 4.1658 8.8439 124.6560 55.7278 29.7750 176.7026 18 L 3.9517 8.4892 120.3320 56.2633 41.6897 178.3835 19 K 4.3256 7.7656 119.6006 55.1484 30.7295 175.8274 20 V 4.4714 7.7210 115.6576 59.1633 34.8539 175.5488 21 L 4.3751 8.2894 123.9797 53.8147 44.7481 172.6450 22 P 4.6926 0.0000 0.0000 62.8189 32.8782 175.5473 23 G 4.3871 7.7693 109.0107 44.7277 0.0000 173.8363 24 V 4.2526 8.1358 114.0289 59.9060 30.4853 173.8695 25 R 4.6663 7.4386 124.0194 55.6103 33.8975 174.5856 26 C 5.0017 8.3704 119.2542 53.8647 45.1780 171.1779 27 P 4.4096 0.0000 0.0000 63.4144 31.2858 175.8790 28 Y 3.4139 8.6297 126.1214 58.3700 36.5043 168.6328 29 C 4.8930 7.8613 118.4021 58.4514 47.0469 176.7945 30 G 3.8448 7.8786 104.1938 46.4681 0.0000 172.4583 31 Y 5.0200 7.7346 118.0386 55.5766 42.1063 175.2835 32 K 4.1109 6.9246 121.8240 56.4599 34.0779 176.4390 33 I 3.9012 6.1795 120.3460 60.1123 38.1842 174.7631 34 I 4.9063 7.6916 126.9969 57.9516 40.4901 174.9417 35 F 4.8296 8.4405 127.7596 57.3810 40.8135 173.9304 36 M 4.9146 8.6442 120.5856 54.3609 33.4037 176.0258 37 V 4.2318 8.3000 124.9656 60.3146 33.6222 175.7157 38 R 3.8985 8.5137 121.9354 55.8625 30.6035 175.9996 39 K 3.7752 8.8641 125.2367 56.5516 32.3056 174.8802 40 P 4.6021 0.0000 0.0000 64.2150 31.6910 176.6552 41 T 4.1299 7.1760 115.3080 62.8702 69.0505 174.2827 42 I 3.7509 8.2787 125.2922 61.1181 38.3992 175.1881 43 K 4.5035 8.5326 127.0088 54.6197 34.0629 175.8526 44 I 4.2368 8.2222 124.0775 59.7748 37.5442 175.0136 45 V 4.2636 8.0722 125.2328 60.9958 32.9471 175.3012 46 K 4.3423 8.3788 125.4457 55.4747 33.7758 177.4616 47 A 4.4052 8.2086 127.2582 51.0430 17.5997 177.5132 48 I 4.0155 7.3186 125.4526 60.9583 37.3427 176.7091 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 6 C 8.33 4.59 0.00 3.01 3.06 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 0.00 0.00 0.00 0.00 7 G 7.08 5.29 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 0.00 8 K 8.16 5.55 0.00 1.87 1.76 0.00 1.94 0.00 0.00 2.32 0.00 0.00 3.38 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.55 7.81 9 C 8.11 5.02 0.00 2.93 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.09 3.92 0.00 3.41 3.03 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 11 K 8.14 3.85 0.00 0.88 1.46 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.22 7.81 12 T 7.13 4.41 4.28 0.00 0.00 0.00 0.00 0.00 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 13 F 8.55 4.49 0.00 2.88 3.14 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 0.00 0.00 0.00 0.00 14 T 7.60 4.62 4.29 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 1.24 0.00 0.00 15 D 9.06 5.21 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.61 4.69 0.00 2.00 2.02 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 2.44 2.32 0.00 17 Q 8.84 4.17 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 18 L 8.49 3.95 0.00 1.68 1.73 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.77 4.33 0.00 1.77 1.80 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.55 7.81 20 V 7.72 4.47 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 0.97 0.00 0.00 21 L 8.29 4.38 0.00 1.56 1.50 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.69 0.00 2.20 2.14 0.00 3.76 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 1.91 1.94 0.00 23 G 7.77 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 4.25 2.05 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 0.74 0.00 0.00 0.88 0.00 0.00 25 R 7.44 4.67 0.00 1.64 1.83 0.00 3.16 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 26 C 8.37 5.00 0.00 3.06 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 27 P 0.00 4.41 0.00 2.03 2.04 0.00 4.00 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 28 Y 8.63 3.41 0.00 3.08 2.95 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 29 C 7.86 4.89 0.00 3.25 3.23 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 0.00 30 G 7.88 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.73 5.02 0.00 2.96 2.81 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 32 K 6.92 4.11 0.00 1.34 1.55 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 1.27 7.81 33 I 6.18 3.90 1.67 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.47 0.49 0.00 0.00 34 I 7.69 4.91 1.80 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 1.34 2.10 0.82 0.00 0.00 35 F 8.44 4.83 0.00 3.12 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 36 M 8.64 4.91 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 37 V 8.30 4.23 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 0.80 0.00 0.00 1.00 0.00 0.00 38 R 8.51 3.90 0.00 1.80 1.90 0.00 3.29 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 39 K 8.86 3.78 0.00 1.83 1.73 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.49 7.81 40 P 0.00 4.60 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 41 T 7.18 4.13 4.24 0.00 0.00 0.00 0.00 0.00 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 42 I 8.28 3.75 1.87 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 1.41 0.75 0.91 0.00 0.00 43 K 8.53 4.50 0.00 1.76 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.37 7.81 44 I 8.22 4.24 1.87 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 1.30 0.44 0.91 0.00 0.00 45 V 8.07 4.26 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 0.82 0.00 0.00 0.93 0.00 0.00 46 K 8.38 4.34 0.00 1.78 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.42 7.81 47 A 8.21 4.41 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 48 I 7.32 4.02 1.87 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 1.27 0.61 0.91 0.00 0.00