NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4989 8.3231 115.4187 58.3348 64.7214 172.5150 2 G 3.8285 7.6475 106.1050 45.5540 0.0000 171.8061 3 S 4.7411 8.0843 108.6668 56.6288 63.0107 173.8446 4 W 3.8219 8.1359 134.0615 60.0748 31.0924 176.5507 5 L 4.0865 8.1124 120.0021 58.3428 41.6845 178.8882 6 R 4.0395 8.0008 118.1314 59.2975 29.8414 177.5912 7 D 4.3003 8.1347 118.0421 57.5361 41.0155 178.4789 8 I 3.8732 7.8129 119.8410 63.6857 37.2526 177.9982 9 W 4.4735 8.1938 129.0218 60.8485 30.3932 177.5047 10 D 4.2853 8.2581 117.6319 57.0266 40.6338 177.8945 11 W 4.5539 7.9509 130.0463 60.1389 30.6920 178.0506 12 I 3.5319 8.4053 120.0886 64.2401 36.4525 177.8460 13 C 3.7968 7.5494 119.2958 62.4620 31.2995 175.6566 14 E 3.8139 7.6056 120.0349 59.3310 28.9784 179.4838 15 V 3.3826 7.1016 118.2735 65.4538 31.3898 177.8309 16 L 3.8023 8.2094 120.5074 58.3379 42.1037 179.2575 17 S 4.1293 7.7560 114.5993 61.4244 62.6256 176.1946 18 D 4.3302 8.3914 121.1113 57.4503 40.9359 178.0991 19 F 3.6974 8.9252 118.8378 60.5075 38.7950 177.5858 20 K 3.9998 8.0572 118.5594 60.0299 32.0521 179.0633 21 T 3.9487 7.9129 115.5940 66.1539 68.2795 176.6364 22 W 3.8838 9.0871 131.5532 60.4060 30.5947 178.0524 23 L 4.0976 8.4379 119.1575 57.7322 41.0249 179.4561 24 K 3.8890 7.9415 119.1919 59.3713 31.9160 178.7561 25 A 3.8246 8.1800 120.4627 54.9545 18.3219 179.2515 26 K 3.6843 7.5761 117.4081 59.2954 32.2659 178.6284 27 L 4.1372 7.9168 120.1682 56.8806 42.1044 177.2351 28 M 4.0026 7.6025 119.6181 54.6350 32.0146 174.7399 29 P 4.4444 0.0000 0.0000 61.4806 32.9577 175.1370 30 Q 3.9926 8.3912 119.5437 56.2033 28.8269 175.5354 31 L 4.3063 8.2283 126.4861 55.2425 42.4873 175.7433 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 S 8.32 4.50 0.00 4.02 3.98 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 2 G 7.65 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 3 S 8.08 4.74 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.14 3.82 0.00 3.47 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 5 L 8.11 4.09 0.00 1.81 1.68 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.00 4.04 0.00 1.94 2.08 0.00 3.27 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 7 D 8.13 4.30 0.00 2.67 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.87 2.20 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.65 1.06 0.00 0.00 9 W 8.19 4.47 0.00 3.57 3.26 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 0.00 10 D 8.26 4.29 0.00 2.94 2.71 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 11 W 7.95 4.55 0.00 3.50 3.44 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 12 I 8.41 3.53 1.82 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.13 0.67 0.00 0.00 13 C 7.55 3.80 0.00 2.76 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 14 E 7.61 3.81 0.00 1.83 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 15 V 7.10 3.38 1.65 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 0.92 0.00 0.00 -0.62 0.00 0.00 16 L 8.21 3.80 0.00 1.58 1.66 0.76 0.79 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 17 S 7.76 4.13 0.00 3.98 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 18 D 8.39 4.33 0.00 2.70 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 19 F 8.93 3.70 0.00 3.35 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 20 K 8.06 4.00 0.00 1.86 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 21 T 7.91 3.95 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 1.20 0.00 0.00 22 W 9.09 3.88 0.00 3.30 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 23 L 8.44 4.10 0.00 2.08 1.78 1.15 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.94 3.89 0.00 1.87 1.90 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 25 A 8.18 3.82 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.58 3.68 0.00 0.84 1.52 0.00 1.80 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 0.93 7.81 27 L 7.92 4.14 0.00 1.75 1.63 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.60 4.00 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.44 0.00 29 P 0.00 4.44 0.00 2.15 2.06 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 30 Q 8.39 3.99 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 31 L 8.23 4.31 0.00 1.55 1.42 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00