NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2809 8.2649 123.5852 52.1660 19.9304 176.4618 2 C 5.2088 8.3944 116.6131 55.0924 37.9103 171.7402 3 Y 4.8506 10.1414 121.5937 56.4872 41.7704 173.5166 4 C 5.4928 8.8091 118.7246 55.8475 42.1407 173.6026 5 R 5.2459 9.5560 122.3629 54.6839 34.4880 174.2827 6 I 4.9142 8.6723 122.0729 59.1290 40.4566 173.5532 7 P 4.5470 0.0000 0.0000 62.4878 31.9872 174.5664 8 A 4.4932 7.2307 119.7453 51.4187 21.7327 176.7794 9 C 4.4887 8.5584 117.3793 56.9621 37.1195 174.0457 10 I 4.0919 8.1793 115.7327 59.1355 38.8620 174.9653 11 A 4.0856 8.3093 123.2407 53.7851 18.3622 177.7431 12 G 3.9253 8.8213 108.9488 46.0583 0.0000 173.1061 13 E 4.9628 7.8771 118.0681 54.4429 32.0470 175.4701 14 R 4.6560 8.6300 118.9983 54.2429 34.4310 174.7038 15 R 4.5464 8.2979 122.7452 56.4794 30.4033 175.4622 16 Y 4.6140 8.8715 122.9056 57.3025 39.7809 176.7718 17 G 4.1528 7.2791 107.1689 46.2335 0.0000 171.7660 18 T 5.2583 8.5809 117.3998 62.2122 72.6588 174.3059 19 C 5.1872 9.5058 122.4095 55.4148 43.6285 172.9804 20 I 5.3557 8.2531 121.8398 60.1373 39.3971 174.4616 21 Y 4.8033 9.0019 123.7648 56.8956 40.7062 173.9561 22 Q 3.6132 10.0379 116.9189 57.0507 26.5438 174.8180 23 G 3.9677 8.6099 102.0041 46.1385 0.0000 174.0917 24 R 4.5431 8.0701 117.8533 53.8320 33.6055 174.0492 25 L 4.9136 7.9099 119.0575 53.0005 43.4825 176.0967 26 W 4.7884 9.2072 123.7699 54.3856 32.6549 175.0248 27 A 4.6385 9.0232 125.6928 51.9602 19.2936 176.5695 28 A 4.8643 9.1121 125.6729 51.5963 19.9454 175.5582 29 C 5.5358 9.7945 120.5502 55.8945 43.6648 174.1284 30 C 4.9787 9.4392 120.4943 57.2465 41.9968 173.9860 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 4.28 1.12 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 2 C 8.39 5.21 0.00 2.93 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 3 Y 10.14 4.85 0.00 2.84 2.87 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 4 C 8.81 5.49 0.00 2.86 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 5 R 9.56 5.25 0.00 1.81 1.97 0.00 3.09 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 6 I 8.67 4.91 1.58 0.00 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.20 0.68 0.00 0.00 7 P 0.00 4.55 0.00 2.13 2.09 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 8 A 7.23 4.49 1.21 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 0.00 0.00 0.00 9 C 8.56 4.49 0.00 2.97 3.17 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 10 I 8.18 4.09 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.56 0.87 0.00 0.00 11 A 8.31 4.09 1.25 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 12 G 8.82 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.96 0.00 2.14 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 14 R 8.63 4.66 0.00 1.54 1.33 0.00 3.15 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 15 R 8.30 4.55 0.00 1.76 1.71 0.00 3.17 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 16 Y 8.87 4.61 0.00 2.93 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 17 G 7.28 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 0.00 0.00 0.00 0.00 18 T 8.58 5.26 4.30 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 1.33 0.00 0.00 19 C 9.51 5.19 0.00 3.06 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 20 I 8.25 5.36 1.97 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 1.47 0.70 0.99 0.00 0.00 21 Y 9.00 4.80 0.00 3.03 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 22 Q 10.04 3.61 0.00 2.47 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 23 G 8.61 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 24 R 8.07 4.54 0.00 1.53 1.17 0.00 3.04 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.64 0.00 25 L 7.91 4.91 0.00 1.37 1.53 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.21 4.79 0.00 3.23 3.24 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 27 A 9.02 4.64 1.30 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 0.00 0.00 28 A 9.11 4.86 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 29 C 9.79 5.54 0.00 2.95 3.17 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 30 C 9.44 4.98 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00