NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2122 8.1701 115.2508 61.7790 68.4335 172.9174 2 A 4.1561 8.3275 128.1959 50.7932 19.7522 174.9409 3 L 4.5773 8.4001 119.7722 53.1109 44.6152 174.6567 4 F 5.0178 8.1409 120.0596 55.9364 43.5392 175.8976 5 T 3.8265 8.9581 110.7987 65.5511 69.2788 175.1290 6 M 2.9594 8.2582 114.8070 53.4389 29.5095 174.7045 7 G 3.3346 8.3368 117.3862 46.6126 0.0000 172.7873 8 G 3.9143 7.8240 108.5485 45.8776 0.0000 172.6564 9 N 4.6350 7.8892 114.7883 52.2562 38.8192 175.1556 10 A 4.1943 7.6318 124.3915 54.1306 17.6231 177.3693 11 E 3.8124 8.8285 113.3548 57.0929 29.1725 177.1245 12 G 3.9715 8.2511 106.8171 46.6339 0.0000 174.4074 13 Q 4.1366 8.1287 119.8640 54.8787 29.2556 174.6050 14 P 4.4179 0.0000 0.0000 62.1446 32.2351 176.7173 15 C 3.7625 8.3258 116.6593 57.3814 40.5767 173.3738 16 K 4.4959 8.1081 123.8906 54.4747 33.6141 175.4273 17 F 5.5111 8.3904 123.8799 54.9117 42.6285 172.8884 18 P 5.0569 0.0000 0.0000 62.8493 32.2356 175.3605 19 F 5.2756 9.3477 118.5019 55.2441 40.8952 174.2178 20 R 5.1170 9.1021 122.0890 55.3592 31.9063 174.7911 21 F 5.7841 9.7418 127.4318 57.9018 43.5636 173.8630 22 Q 3.2750 9.8245 122.2757 56.8567 26.1880 174.6996 23 G 3.9554 8.6245 102.6458 46.2667 0.0000 174.1781 24 T 4.5826 8.0882 116.5716 61.5484 71.6638 173.2681 25 S 5.0639 8.3075 120.8483 57.4149 64.6962 173.0943 26 Y 4.3851 8.7490 121.8320 55.6115 40.8754 175.8302 27 D 5.2425 8.3080 123.3288 53.3491 42.0311 174.9657 28 S 4.2524 7.8569 109.1062 56.6741 65.2080 175.2087 29 C 4.4137 8.8346 118.8312 57.7329 38.4295 173.4034 30 T 4.5974 8.2372 117.7919 60.6093 69.9052 174.1154 31 T 4.5140 7.9598 118.4543 62.8867 69.8654 174.0968 32 E 4.2281 7.9544 122.7817 58.1883 29.5777 177.4740 33 G 3.9999 9.3798 112.8217 44.9633 0.0000 172.7968 34 R 4.5449 7.9764 118.9104 54.9506 31.8222 175.7900 35 T 4.5463 8.6004 119.1961 63.3615 68.9236 174.4930 36 D 4.6426 8.1817 119.0821 52.8785 40.0890 176.5772 37 G 3.6955 8.1153 108.3891 45.5844 0.0000 173.6616 38 Y 4.9667 7.1250 116.2546 57.2894 39.3584 174.7654 39 R 4.9883 9.1814 121.1354 54.1914 33.2728 175.1485 40 W 5.3013 8.9023 120.1922 54.6208 31.9376 171.6746 41 C 4.2561 9.0631 114.2897 53.0020 43.8211 173.9884 42 G 3.8628 5.3800 107.4110 45.7939 0.0000 173.6694 43 T 4.7836 8.3799 109.4752 60.8942 69.1604 173.5168 44 T 4.9086 7.5745 110.9314 60.7442 72.1621 173.0737 45 E 4.0655 9.0367 121.0260 58.6681 29.9634 175.6514 46 D 5.1840 7.8339 118.7558 52.4043 43.0371 175.4145 47 Y 4.2968 9.5819 129.7818 60.5967 39.6479 177.4030 48 D 4.4917 8.8306 119.5777 57.5101 41.2126 178.5427 49 R 3.9787 8.3271 118.2102 59.6056 30.4064 177.4465 50 D 4.3532 8.0317 116.4923 56.3158 40.8790 177.8162 51 K 2.8407 7.6499 115.8970 57.0726 29.9237 175.3498 52 K 5.0014 7.9157 117.3818 54.8411 35.3937 175.0645 53 Y 5.2502 9.0209 122.0859 54.2886 42.3942 173.6654 54 G 4.6490 9.2221 105.8383 44.7123 0.0000 171.6971 55 F 5.2264 8.3684 120.3125 56.3821 40.7951 174.5770 56 C 5.3360 9.1975 120.8789 53.7619 47.1231 171.6562 57 P 4.5918 0.0000 0.0000 62.2393 31.4124 176.4270 58 E 4.2029 8.7515 122.6136 57.4172 30.1940 175.8587 59 T 3.3364 8.7759 113.3511 64.2928 65.5920 172.2849 60 A 4.1276 7.9154 128.3909 53.0003 18.9597 176.9355 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 T 8.17 4.21 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 2 A 8.33 4.16 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.40 4.58 0.00 1.48 1.46 1.03 0.87 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 4 F 8.14 5.02 0.00 3.05 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 5 T 8.96 3.83 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 1.30 0.00 0.00 6 M 8.26 2.96 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 7 G 8.34 3.33 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 0.00 8 G 7.82 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 0.00 0.00 0.00 9 N 7.89 4.64 0.00 2.65 2.64 0.00 0.00 6.89 6.98 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 10 A 7.63 4.19 1.28 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 0.00 0.00 0.00 11 E 8.83 3.81 0.00 2.14 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 0.00 2.19 2.22 0.00 12 G 8.25 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.13 4.14 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 14 P 0.00 4.42 0.00 2.05 2.02 0.00 3.78 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 1.94 1.96 0.00 15 C 8.33 3.76 0.00 2.62 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 0.00 0.00 0.00 16 K 8.11 4.50 0.00 1.50 1.74 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.47 7.81 17 F 8.39 5.51 0.00 3.01 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 18 P 0.00 5.06 0.00 2.12 2.22 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 19 F 9.35 5.28 0.00 3.25 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 20 R 9.10 5.12 0.00 2.06 2.16 0.00 3.16 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 21 F 9.74 5.78 0.00 3.39 2.83 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 22 Q 9.82 3.28 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 23 G 8.62 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 0.00 0.00 0.00 24 T 8.09 4.58 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 0.79 0.00 0.00 25 S 8.31 5.06 0.00 3.63 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 26 Y 8.75 4.39 0.00 1.43 2.28 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 0.00 27 D 8.31 5.24 0.00 2.53 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.86 4.25 0.00 3.90 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 29 C 8.83 4.41 0.00 3.00 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 30 T 8.24 4.60 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 -0.26 0.00 0.00 31 T 7.96 4.51 4.26 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 0.00 0.00 0.00 1.33 0.00 0.00 32 E 7.95 4.23 0.00 2.32 2.30 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 2.51 2.38 0.00 33 G 9.38 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 4.54 0.00 1.90 2.08 0.00 2.77 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.53 0.00 35 T 8.60 4.55 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 36 D 8.18 4.64 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.12 4.97 0.00 3.23 3.32 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 39 R 9.18 4.99 0.00 1.81 1.83 0.00 3.08 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 40 W 8.90 5.30 0.00 3.20 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 41 C 9.06 4.26 0.00 2.30 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 5.38 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.38 4.78 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 1.23 0.00 0.00 44 T 7.57 4.91 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 45 E 9.04 4.07 0.00 2.09 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 0.00 2.46 2.37 0.00 46 D 7.83 5.18 0.00 2.95 2.57 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 47 Y 9.58 4.30 0.00 3.39 3.56 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 48 D 8.83 4.49 0.00 3.17 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 49 R 8.33 3.98 0.00 1.92 2.02 0.00 3.44 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 50 D 8.03 4.35 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.65 2.84 0.00 1.70 1.70 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.20 1.05 7.81 52 K 7.92 5.00 0.00 1.66 1.67 0.00 1.60 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.44 7.81 53 Y 9.02 5.25 0.00 3.07 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.22 4.65 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 0.00 0.00 0.00 55 F 8.37 5.23 0.00 3.03 3.10 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 0.00 0.00 0.00 0.00 56 C 9.20 5.34 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.59 0.00 2.28 2.13 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 58 E 8.75 4.20 0.00 2.09 2.01 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 2.61 2.59 0.00 59 T 8.78 3.34 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 1.23 0.00 0.00 60 A 7.92 4.13 1.28 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 0.00 0.00 0.00