NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3983 8.3449 119.6893 55.8300 29.4897 174.0664 2 Q 4.2933 8.2335 118.2324 55.4225 31.3533 174.3197 3 Y 4.2512 7.3147 129.6227 57.3647 41.6045 175.7724 4 T 4.2677 8.3003 120.4995 63.0698 69.3350 174.5968 5 A 4.0899 7.9079 125.0091 52.4947 17.4819 177.6670 6 K 4.9533 8.0249 121.6356 55.1214 31.4953 177.7685 7 I 3.6495 8.3278 122.4887 62.8879 37.1855 177.3074 8 K 3.7954 8.9485 123.6904 58.1341 33.5914 173.8545 9 G 3.0760 5.6841 109.7345 44.0500 0.0000 173.5734 10 R 4.1913 7.0481 118.4515 55.0634 33.4339 173.0683 11 T 4.5133 7.9290 115.2478 60.2570 70.3512 174.0684 12 F 4.7447 8.7358 124.0851 55.7977 40.9247 177.1294 13 R 4.1644 8.3751 121.2128 58.0682 30.5149 176.5841 14 N 4.4648 7.4834 114.3611 50.8288 40.6903 174.7675 15 E 2.5400 7.3490 120.7692 58.5485 29.5742 178.2140 16 K 3.6791 7.8251 119.2250 59.8138 32.1894 178.2955 17 E 3.9844 9.2995 119.3784 59.4039 28.0166 179.0672 18 L 2.4400 7.3677 119.8464 57.4473 40.7210 178.8199 19 R 4.1746 8.1623 118.8152 58.4406 29.9038 177.0071 20 D 4.3971 8.1198 116.5680 54.5025 41.3916 177.5367 21 F 4.4097 7.9872 122.9719 61.1235 39.7513 177.7081 22 I 4.0203 7.3748 117.0984 64.1343 36.5747 178.0520 23 E 3.9783 7.5501 120.1519 58.7071 29.5535 178.0183 24 K 4.3718 7.4318 114.8966 56.1967 32.4505 176.7639 25 F 4.5759 7.7450 120.8963 57.4463 39.3320 175.3396 26 K 3.8455 8.0533 116.6439 57.9123 29.5104 176.3271 27 G 3.5513 7.6239 105.2561 46.2631 0.0000 173.6466 28 R 4.1481 8.1228 122.2320 56.3868 30.3009 175.9618 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 Q 8.34 4.40 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 2 Q 8.23 4.29 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 3 Y 7.31 4.25 0.00 3.22 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.30 4.27 4.21 0.00 0.00 0.00 0.00 0.00 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 5 A 7.91 4.09 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 6 K 8.02 4.95 0.00 1.73 1.74 0.00 1.77 0.00 0.00 2.22 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.47 7.81 7 I 8.33 3.65 1.80 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 1.20 1.31 0.63 0.00 0.00 8 K 8.95 3.80 0.00 1.58 2.04 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.38 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.57 7.81 9 G 5.68 3.08 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 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.05 4.19 0.00 1.44 0.66 0.00 3.22 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.17 0.00 11 T 7.93 4.51 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 1.19 0.00 0.00 12 F 8.74 4.74 0.00 3.25 3.08 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 0.00 0.00 0.00 13 R 8.38 4.16 0.00 2.03 2.02 0.00 3.31 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 14 N 7.48 4.46 0.00 2.82 2.86 0.00 0.00 5.90 7.66 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 15 E 7.35 2.54 0.00 1.62 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 16 K 7.83 3.68 0.00 1.75 1.83 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 17 E 9.30 3.98 0.00 2.20 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 2.47 2.38 0.00 18 L 7.37 2.44 0.00 1.27 1.41 0.20 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.16 4.17 0.00 1.81 2.01 0.00 3.11 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 20 D 8.12 4.40 0.00 2.78 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 21 F 7.99 4.41 0.00 3.32 3.01 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 0.00 0.00 0.00 22 I 7.37 4.02 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.54 1.20 0.00 0.00 23 E 7.55 3.98 0.00 2.13 2.13 0.00 0.00 0.00 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 2.49 0.00 24 K 7.43 4.37 0.00 1.70 1.72 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.56 7.81 25 F 7.74 4.58 0.00 2.65 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 26 K 8.05 3.85 0.00 1.76 1.70 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.36 7.81 27 G 7.62 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.12 4.15 0.00 1.91 1.89 0.00 3.22 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00