NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.0948 8.4449 120.3616 56.1932 31.0020 171.6695 3 Y 4.8384 7.3897 118.4762 55.2274 40.2561 172.8313 4 E 4.2349 9.3576 122.2297 56.7044 31.1050 176.1578 5 E 4.6431 8.5608 119.9145 55.1724 33.7402 175.0749 6 G 3.8830 8.7316 106.1191 43.7154 0.0000 171.3551 7 P 4.3269 0.0000 0.0000 63.9917 31.5221 177.4242 8 G 3.8494 8.8321 109.6039 45.7450 0.0000 173.8579 9 K 4.4285 8.0017 117.4820 55.8719 34.2358 175.9081 10 N 4.8353 7.8209 116.4092 51.9651 37.9249 174.8681 11 I 4.4172 7.0053 110.0712 60.0265 40.4715 172.6076 12 P 4.5209 0.0000 0.0000 62.8818 31.5074 175.5990 13 F 4.9891 7.0010 112.9928 55.0253 40.6525 174.2909 14 S 4.3884 8.5953 116.6311 57.9916 63.0069 174.2198 15 V 4.4036 7.9942 119.3509 61.1840 31.9368 176.5667 16 E 3.9890 8.1075 123.6486 58.2265 29.7400 177.2262 17 N 4.9483 7.8818 117.0169 51.1877 41.8320 174.9102 18 K 3.8327 8.3297 127.3063 58.9713 32.8882 179.0933 19 W 4.4161 7.6674 120.1799 59.3490 29.2717 178.2470 20 R 3.9749 8.7035 119.0163 59.2235 29.4598 178.2903 21 L 3.9322 8.1519 120.3497 58.0138 42.0938 178.5423 22 L 3.9426 7.9159 120.0039 58.1639 42.0120 178.7176 23 A 4.0108 8.0465 120.4271 55.5810 18.3455 179.3538 24 M 4.0037 8.2769 117.2188 59.0587 32.0356 178.9905 25 M 4.0559 8.4540 118.9851 58.7017 32.0013 179.1067 26 T 4.0336 8.0746 115.9541 66.5801 68.5886 176.8717 27 L 4.0093 8.0935 120.9488 57.9589 41.5252 179.0874 28 F 4.0761 8.4316 120.7315 61.4022 39.2577 177.2362 29 F 4.2390 8.8867 117.8370 60.4423 38.8727 178.1674 30 G 3.7292 8.6481 105.9994 47.5530 0.0000 175.9784 31 S 4.2548 8.4516 117.1789 61.2132 62.7564 176.8426 32 G 3.5377 7.4438 108.5091 47.5488 0.0000 175.1956 33 F 4.4658 8.3998 122.1521 60.7265 39.6810 176.6438 34 A 4.5096 8.5580 120.2158 54.3556 18.2683 179.1162 35 A 4.0300 8.0042 119.7301 55.3776 18.3308 178.1589 36 P 4.0550 0.0000 0.0000 65.4398 31.2527 178.7652 37 F 3.8383 7.6650 116.1600 60.7314 38.7998 177.6608 38 F 3.8851 8.4704 116.9748 60.1432 38.5881 178.0037 39 I 3.7845 8.0031 120.1734 64.2324 36.8907 178.5180 40 V 3.5166 7.9741 119.4312 65.7771 31.2943 177.8844 41 R 3.8078 8.1185 118.7429 59.7862 29.6714 177.6790 42 H 4.1205 8.2588 116.7184 59.7045 29.9706 176.8342 43 Q 4.0475 8.3156 119.6446 58.8156 28.3427 178.5816 44 L 3.9796 8.0461 120.1058 57.8063 41.5095 179.2681 45 L 4.0354 7.8948 116.6437 56.5115 41.6826 178.9657 46 K 4.1238 7.5855 118.2241 57.1499 32.1382 176.7226 47 K 3.9388 7.1754 123.8891 57.2470 33.9711 173.7262 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 H 8.44 4.09 0.00 2.99 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.39 4.84 0.00 2.88 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.36 4.23 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 5 E 8.56 4.64 0.00 1.92 1.81 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 2.25 2.51 0.00 6 G 8.73 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 7 P 0.00 4.33 0.00 2.02 1.98 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 8 G 8.83 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.00 4.43 0.00 1.75 1.77 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.44 7.81 10 N 7.82 4.84 0.00 2.77 2.85 0.00 0.00 5.84 7.81 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 11 I 7.01 4.42 0.75 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.10 0.68 0.00 0.00 12 P 0.00 4.52 0.00 2.21 2.16 0.00 3.73 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 2.18 1.99 0.00 13 F 7.00 4.99 0.00 3.00 2.84 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 14 S 8.60 4.39 0.00 3.84 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 15 V 7.99 4.40 2.07 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 0.82 0.00 0.00 0.84 0.00 0.00 16 E 8.11 3.99 0.00 1.93 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 2.32 2.29 0.00 17 N 7.88 4.95 0.00 2.77 2.64 0.00 0.00 6.97 7.05 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 18 K 8.33 3.83 0.00 1.48 1.71 0.00 0.89 0.00 0.00 1.14 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.80 0.21 7.81 19 W 7.67 4.42 0.00 3.56 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 3.97 0.00 1.93 1.96 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 21 L 8.15 3.93 0.00 1.87 1.69 1.08 0.54 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 L 7.92 3.94 0.00 1.99 2.01 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.05 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.28 4.00 0.00 1.94 2.19 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 2.64 2.91 0.00 25 M 8.45 4.06 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.43 0.00 26 T 8.07 4.03 4.68 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 1.31 0.00 0.00 27 L 8.09 4.01 0.00 1.90 1.75 0.94 0.81 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 28 F 8.43 4.08 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.89 4.24 0.00 3.38 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 30 G 8.65 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.25 0.00 3.99 4.15 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 32 G 7.44 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 4.47 0.00 3.11 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 34 A 8.56 4.51 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.03 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 36 P 0.00 4.06 0.00 1.59 1.83 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 37 F 7.66 3.84 0.00 3.19 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 38 F 8.47 3.89 0.00 3.26 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 39 I 8.00 3.78 1.84 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 1.41 0.76 0.90 0.00 0.00 40 V 7.97 3.52 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 0.93 0.00 0.00 0.80 0.00 0.00 41 R 8.12 3.81 0.00 1.79 2.01 0.00 3.00 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 42 H 8.26 4.12 0.00 3.22 3.62 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.32 4.05 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 44 L 8.05 3.98 0.00 1.81 1.69 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.89 4.04 0.00 1.67 1.72 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.59 4.12 0.00 1.78 1.81 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.34 7.81 47 K 7.18 3.94 0.00 1.84 1.66 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.19 1.12 7.81