NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4515 8.3044 118.1965 55.3077 32.7430 175.9405 2 C 4.3248 8.8088 119.1390 57.5272 45.0321 171.2839 3 M 4.5106 7.1395 113.6932 54.5273 34.3708 171.4166 4 P 4.8353 0.0000 0.0000 62.8733 33.2985 175.8107 5 C 5.0373 8.4029 120.1877 54.7952 45.2543 172.7591 6 F 4.8762 8.7374 123.4235 55.1350 42.1118 176.2086 7 T 4.4737 8.5463 118.0186 62.0859 68.5717 175.7991 8 T 4.2334 8.1822 117.1844 64.7466 68.6158 173.6636 9 D 4.8221 7.3950 121.5202 51.7449 42.2975 175.2999 10 P 4.2885 0.0000 0.0000 65.1314 31.4775 176.2882 11 N 4.7622 8.3548 115.7309 53.5485 40.1144 175.9101 12 M 4.0231 8.0282 117.2123 59.5428 32.3777 177.6115 13 A 4.0451 8.0899 120.3417 55.1299 18.4201 179.3559 14 K 3.8573 7.9788 117.5281 59.5322 32.4073 178.7523 15 K 3.9059 8.0802 119.9374 59.7076 31.7969 177.8746 16 C 4.2823 8.7063 119.1709 59.5244 38.0612 175.8035 17 R 3.8635 7.9089 119.6332 59.4268 29.7564 178.4784 18 D 4.3935 8.2330 117.7414 57.2818 40.8737 177.2611 19 C 4.2038 8.0162 118.4210 59.7436 41.3771 174.0162 20 C 4.5351 7.6897 118.5919 56.7654 42.8569 173.3996 21 G 3.5285 8.2856 104.5007 46.6503 0.0000 174.5482 22 G 4.1655 8.3084 109.9992 44.8047 0.0000 174.7885 23 N 5.0039 7.9144 115.3358 51.4779 36.3198 173.6949 24 G 4.1214 7.6976 106.9227 45.8179 0.0000 172.9945 25 K 4.2533 8.5102 119.2998 55.4802 35.2026 174.6417 26 C 4.4817 8.4677 126.1501 55.5916 42.8379 173.8366 27 F 5.1781 8.7352 125.0573 55.8388 39.6952 175.7780 28 G 3.9740 8.1073 116.9593 45.6279 0.0000 171.9203 29 P 4.3817 0.0000 0.0000 63.6101 31.6815 175.6795 30 Q 4.8975 7.5673 117.4970 54.2328 32.1232 173.5641 31 C 4.8434 8.6865 122.8126 55.3191 45.2474 172.5732 32 L 5.1844 8.2374 125.7873 53.1424 44.8156 175.1504 33 C 4.8142 8.4897 121.0550 54.6986 45.3581 173.3756 34 N 4.6280 7.5662 119.1433 51.2774 37.1185 175.8192 35 R 4.1274 7.4059 121.9259 57.1222 30.0450 173.7412 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 M 8.30 4.45 0.00 2.34 2.49 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 2 C 8.81 4.32 0.00 3.06 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 3 M 7.14 4.51 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 4 P 0.00 4.84 0.00 1.92 2.09 0.00 3.78 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 2.26 2.17 0.00 5 C 8.40 5.04 0.00 2.99 2.98 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 6 F 8.74 4.88 0.00 3.01 2.98 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 7 T 8.55 4.47 4.27 0.00 0.00 0.00 0.00 0.00 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 8 T 8.18 4.23 4.32 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 1.31 0.00 0.00 9 D 7.40 4.82 0.00 2.80 2.52 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 10 P 0.00 4.29 0.00 2.22 2.19 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 11 N 8.35 4.76 0.00 2.82 2.97 0.00 0.00 6.97 7.51 0.00 0.00 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 M 8.03 4.02 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.86 0.00 13 A 8.09 4.05 1.33 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 14 K 7.98 3.86 0.00 1.83 1.92 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.49 7.81 15 K 8.08 3.91 0.00 1.85 2.11 0.00 1.93 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.61 7.81 16 C 8.71 4.28 0.00 2.98 3.22 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 0.00 17 R 7.91 3.86 0.00 2.17 1.98 0.00 3.21 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 18 D 8.23 4.39 0.00 2.78 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 19 C 8.02 4.20 0.00 3.02 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.69 4.54 0.00 3.01 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 21 G 8.29 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 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 0.00 0.00 0.00 23 N 7.91 5.00 0.00 2.71 2.92 0.00 0.00 6.77 7.17 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 24 G 7.70 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.51 4.25 0.00 1.00 1.66 0.00 1.38 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 0.88 7.81 26 C 8.47 4.48 0.00 2.92 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 27 F 8.74 5.18 0.00 3.10 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.11 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 29 P 0.00 4.38 0.00 2.10 2.22 0.00 3.92 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 2.02 1.91 0.00 30 Q 7.57 4.90 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 31 C 8.69 4.84 0.00 3.10 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 32 L 8.24 5.18 0.00 1.61 1.55 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.49 4.81 0.00 2.95 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 34 N 7.57 4.63 0.00 2.95 2.78 0.00 0.00 6.77 7.55 0.00 0.00 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 R 7.41 4.13 0.00 1.70 1.72 0.00 3.44 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00