NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3657 8.1733 120.1336 56.6101 34.7166 174.4327 2 S 4.5059 8.4833 116.9606 58.2687 63.9195 173.5311 3 C 4.8933 9.8308 121.7093 55.8796 42.4022 172.2537 4 C 5.6043 8.7082 120.7353 54.3021 43.2482 173.4954 5 P 3.8755 0.0000 0.0000 65.6672 31.3083 176.1660 6 N 4.7492 7.4844 114.5146 50.9469 40.9556 175.1474 7 T 3.9183 8.3759 116.5598 67.0794 68.3065 177.0002 8 T 3.9899 8.0559 117.4544 66.2956 68.4389 176.6157 9 G 3.7121 8.6270 107.9114 48.0094 0.0000 175.6979 10 R 4.0812 7.9108 120.9908 58.8717 30.0943 178.4810 11 N 4.2911 8.4714 116.8997 56.9283 38.8664 176.9112 12 I 3.7075 8.0170 121.0825 64.4533 37.1481 177.5063 13 Y 4.2799 8.2655 120.5262 61.1209 38.4972 178.1375 14 N 4.0863 8.5548 117.3451 56.5528 38.6093 177.5535 15 T 3.8349 8.0577 117.0997 66.7892 68.5049 175.8514 16 C 4.2618 8.4234 120.5293 59.7698 43.4390 175.7800 17 R 3.7334 7.8168 118.7434 59.1563 29.6659 178.4966 18 F 3.9703 8.3093 119.4146 61.0778 39.4621 176.6700 19 A 4.3180 8.1307 119.6064 56.1143 18.2894 177.5928 20 G 3.5189 7.6238 105.5254 45.5104 0.0000 174.3995 21 G 3.8735 7.9366 108.6986 44.3190 0.0000 175.3717 22 S 4.3037 8.3878 117.1047 58.0665 64.7810 175.7471 23 R 4.0906 8.6066 123.7677 59.9931 29.8944 179.3397 24 E 3.9811 8.1814 117.5228 59.2054 29.4122 179.3101 25 R 3.8979 7.9822 118.3104 59.7846 30.3024 179.0944 26 C 4.3570 8.6408 116.3919 59.8968 39.5911 175.9667 27 A 3.9258 8.5063 122.5653 55.0235 17.9009 179.3047 28 K 3.7897 8.3184 118.2619 59.7116 32.0352 178.3027 29 L 3.9807 7.9492 119.4103 58.5322 42.0472 178.9465 30 S 4.4188 8.1353 112.4000 59.5341 63.1509 175.1078 31 G 3.9980 7.7977 109.9714 45.3525 0.0000 172.3109 32 C 5.1896 8.1614 117.0486 55.3261 43.1166 172.6861 33 K 4.5952 8.5121 119.4064 55.2324 35.6890 174.9348 34 I 5.0587 7.9447 119.1883 59.5944 40.5065 175.2855 35 I 4.6921 8.2837 118.8151 59.0951 40.7564 174.8416 36 S 4.5677 8.5631 117.3478 58.4347 63.0943 175.0127 37 A 4.0417 7.8235 125.2043 53.3341 18.6908 179.0922 38 S 4.3547 8.2187 112.1897 58.5050 62.4664 170.1048 39 T 4.5377 7.5856 115.5119 61.9106 69.7924 174.4395 40 C 4.9925 8.3938 123.2647 54.0836 38.2024 172.0512 41 P 4.5733 0.0000 0.0000 62.7411 32.1615 176.7325 42 S 4.8421 8.2694 115.9580 57.6071 60.8206 172.8327 43 D 4.8076 7.7690 118.1580 55.0511 47.3800 176.1012 44 Y 4.6629 7.6822 116.9820 55.6966 37.2873 173.7251 45 P 4.4745 0.0000 0.0000 63.6660 32.6370 177.6463 46 K 4.1906 7.9090 123.9450 56.6340 32.1055 176.0297 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 K 8.17 4.37 0.00 1.85 2.01 0.00 1.47 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.46 7.81 2 S 8.48 4.51 0.00 3.79 3.37 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 3 C 9.83 4.89 0.00 2.66 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.71 5.60 0.00 2.87 2.97 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 5 P 0.00 3.88 0.00 2.02 1.79 0.00 3.84 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 1.93 1.96 0.00 6 N 7.48 4.75 0.00 2.95 2.90 0.00 0.00 6.21 7.19 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 7 T 8.38 3.92 4.25 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 1.22 0.00 0.00 8 T 8.06 3.99 4.38 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 1.22 0.00 0.00 9 G 8.63 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.08 0.00 2.10 2.09 0.00 3.41 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 11 N 8.47 4.29 0.00 2.83 3.03 0.00 0.00 7.31 7.98 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 12 I 8.02 3.71 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.96 0.00 0.00 13 Y 8.27 4.28 0.00 3.09 3.29 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 14 N 8.55 4.09 0.00 3.01 2.86 0.00 0.00 7.57 6.85 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 15 T 8.06 3.83 4.37 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 1.19 0.00 0.00 16 C 8.42 4.26 0.00 3.05 3.34 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 0.00 17 R 7.82 3.73 0.00 1.72 1.78 0.00 3.19 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.00 18 F 8.31 3.97 0.00 3.19 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 19 A 8.13 4.32 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 20 G 7.62 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.39 4.30 0.00 3.90 3.82 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 0.00 0.00 0.00 0.00 23 R 8.61 4.09 0.00 1.92 2.13 0.00 3.18 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 24 E 8.18 3.98 0.00 2.00 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 2.41 2.31 0.00 25 R 7.98 3.90 0.00 1.90 2.09 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 26 C 8.64 4.36 0.00 3.36 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 27 A 8.51 3.93 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 28 K 8.32 3.79 0.00 1.93 2.00 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 29 L 7.95 3.98 0.00 1.78 1.99 0.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.14 4.42 0.00 4.31 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.80 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 32 C 8.16 5.19 0.00 2.67 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 33 K 8.51 4.60 0.00 1.56 1.54 0.00 0.83 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 1.07 7.81 34 I 7.94 5.06 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.89 0.00 0.00 35 I 8.28 4.69 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 0.80 0.00 0.00 36 S 8.56 4.57 0.00 3.98 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 37 A 7.82 4.04 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 38 S 8.22 4.35 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.59 4.54 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 1.21 0.00 0.00 40 C 8.39 4.99 0.00 2.93 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 41 P 0.00 4.57 0.00 2.45 2.19 0.00 3.64 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 2.17 1.98 0.00 42 S 8.27 4.84 0.00 3.90 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 43 D 7.77 4.81 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 44 Y 7.68 4.66 0.00 2.76 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.18 2.18 0.00 3.85 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 1.97 1.96 0.00 46 K 7.91 4.19 0.00 1.94 1.77 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.42 7.81