NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1213 8.2649 123.5674 52.0940 19.9087 176.6343 2 C 4.7165 7.9145 117.1521 55.2038 42.4801 171.4589 3 Y 4.9594 9.4143 120.0694 56.7312 43.0424 172.9483 4 C 5.4878 8.7699 118.7937 55.9923 40.3609 173.5281 5 R 5.3138 9.4959 121.4196 54.7955 34.6641 174.0146 6 I 4.9278 8.7344 122.2826 59.1299 39.7046 173.8108 7 P 4.5621 0.0000 0.0000 62.7831 32.1053 174.5478 8 A 4.6442 7.3173 120.2335 51.0621 22.0569 176.3440 9 C 4.6155 8.5441 117.2686 56.8989 41.3294 173.7837 10 I 4.2973 8.3451 114.8567 58.9889 38.8497 175.1640 11 A 4.0374 8.3872 123.7424 54.4036 18.3351 177.6298 12 G 4.0310 9.1439 110.8491 45.2367 0.0000 173.5582 13 E 4.6644 7.8566 118.3540 55.3235 31.1685 175.3800 14 R 4.7073 8.7221 118.8647 54.3230 33.9475 175.0875 15 R 4.6209 8.6084 123.6770 56.6607 30.1536 175.4407 16 Y 4.3507 9.2757 124.3389 58.1137 39.2727 176.8072 17 G 4.2453 7.4051 106.4674 46.3031 0.0000 171.6032 18 T 5.3329 8.6211 116.9701 62.1706 72.6975 174.2452 19 C 5.1317 9.5187 121.6115 55.3210 43.8478 172.9880 20 I 5.1588 8.3401 122.3510 59.9538 38.9730 174.8524 21 Y 4.6636 9.3873 128.0060 57.3420 41.7381 174.4376 22 A 3.1994 9.2566 129.7830 53.2347 16.0822 177.7942 23 G 3.9397 8.5605 105.0468 47.2794 0.0000 174.1960 24 R 4.6312 8.0002 118.0751 53.8865 33.3455 173.9105 25 L 5.3433 8.1476 121.3113 53.4511 43.6227 175.4824 26 W 5.0362 9.4958 125.5484 54.4740 33.4147 174.6136 27 A 4.5908 9.2433 124.7369 52.0322 19.4932 176.4027 28 F 5.2421 9.3091 125.4742 57.2698 41.0066 173.8636 29 C 5.4851 8.8713 124.0761 55.2953 42.6744 173.7847 30 C 4.5838 9.1316 120.3439 57.0804 41.9795 173.9940 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 A 8.26 4.12 1.03 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 0.00 0.00 2 C 7.91 4.72 0.00 2.78 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.41 4.96 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 5.49 0.00 2.42 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 R 9.50 5.31 0.00 1.86 1.89 0.00 3.13 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 6 I 8.73 4.93 1.50 0.00 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.02 0.70 0.00 0.00 7 P 0.00 4.56 0.00 2.15 2.11 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 8 A 7.32 4.64 1.24 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 0.00 0.00 0.00 9 C 8.54 4.62 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 10 I 8.35 4.30 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.91 0.00 0.00 11 A 8.39 4.04 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 12 G 9.14 4.03 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 0.00 0.00 0.00 13 E 7.86 4.66 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 14 R 8.72 4.71 0.00 1.72 1.54 0.00 3.25 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 15 R 8.61 4.62 0.00 1.86 1.85 0.00 3.28 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 16 Y 9.28 4.35 0.00 2.84 3.19 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 0.00 0.00 0.00 0.00 17 G 7.41 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 0.00 0.00 0.00 0.00 18 T 8.62 5.33 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 1.39 0.00 0.00 19 C 9.52 5.13 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 20 I 8.34 5.16 1.94 0.00 0.00 0.90 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 0.68 0.99 0.00 0.00 21 Y 9.39 4.66 0.00 2.81 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.26 3.20 0.66 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 0.00 0.00 23 G 8.56 3.94 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 0.00 0.00 0.00 24 R 8.00 4.63 0.00 1.90 1.42 0.00 3.16 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.44 0.00 25 L 8.15 5.34 0.00 1.62 1.52 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.50 5.04 0.00 3.34 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 9.24 4.59 1.38 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 0.00 0.00 0.00 28 F 9.31 5.24 0.00 3.18 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 29 C 8.87 5.49 0.00 3.02 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 30 C 9.13 4.58 0.00 2.36 2.56 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