NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8378 7.7358 117.5578 55.5625 42.3816 174.0235 2 G 3.9793 8.3011 106.7929 45.2469 0.0000 169.5702 3 E 4.6120 7.5053 120.8730 54.0253 33.4305 173.2900 4 T 4.7723 8.3284 115.6346 60.5401 71.5329 173.3106 5 C 5.0584 8.5587 115.5107 54.1642 41.3743 175.3123 6 T 3.5943 7.8101 110.6380 64.9828 68.9976 175.6326 7 L 4.5656 8.1641 119.9115 54.4295 41.6645 177.3709 8 G 4.1846 9.0751 107.8958 45.5991 0.0000 174.1201 9 T 4.5784 7.5114 114.5700 61.7541 72.2785 173.7063 10 C 5.0537 8.2931 121.4556 55.6099 42.4307 173.4709 11 Y 4.3034 9.3026 119.2136 58.0322 39.6168 176.6766 12 T 4.0301 8.2021 118.2014 62.6860 69.1078 173.8421 13 A 4.1142 8.5737 128.7484 54.0383 18.6074 178.0144 14 G 3.9404 8.9060 110.4100 45.6615 0.0000 173.6942 15 C 5.1312 7.8367 116.7732 55.5985 39.5395 173.4265 16 S 4.8600 8.9643 117.5830 56.7183 67.0031 172.2645 17 C 4.6945 8.7202 122.7306 56.1320 45.5192 174.1359 18 S 4.6215 8.6576 123.3265 55.8906 62.4696 171.4887 19 W 4.1817 7.7325 129.3884 55.1438 31.4322 173.3940 20 P 3.7221 0.0000 0.0000 62.1441 32.0407 174.6568 21 V 4.6193 7.7005 113.3735 60.1563 35.0443 174.2792 22 C 5.1597 8.7368 121.7968 56.7366 39.9884 172.9243 23 T 5.2270 9.1238 112.8049 59.9530 72.5387 172.6949 24 R 4.6726 8.6891 122.7581 55.2213 33.6096 174.8788 25 N 4.0572 9.8614 122.9966 54.4933 36.0775 175.4102 26 G 3.9847 8.5568 104.3128 45.6728 0.0000 174.5560 27 V 4.5150 7.4735 112.9526 58.6937 35.1575 173.9690 28 P 4.9789 0.0000 0.0000 61.1984 29.6673 176.3612 29 I 3.9949 7.4860 119.4255 61.6367 37.6750 176.4396 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 C 7.74 4.84 0.00 2.99 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 2 G 8.30 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 0.00 0.00 0.00 3 E 7.51 4.61 0.00 2.15 1.74 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 2.21 2.25 0.00 4 T 8.33 4.77 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 5 C 8.56 5.06 0.00 3.17 3.28 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 6 T 7.81 3.59 4.40 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 1.08 0.00 0.00 7 L 8.16 4.57 0.00 1.77 1.82 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 4.58 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 0.59 0.00 0.00 10 C 8.29 5.05 0.00 2.97 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 9.30 4.30 0.00 2.92 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 12 T 8.20 4.03 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 13 A 8.57 4.11 1.26 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 0.00 0.00 14 G 8.91 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 15 C 7.84 5.13 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.96 4.86 0.00 3.68 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.72 4.69 0.00 2.97 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.66 4.62 0.00 3.97 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.73 4.18 0.00 3.28 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 P 0.00 3.72 0.00 1.19 0.49 0.00 3.49 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.33 0.00 21 V 7.70 4.62 2.01 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 0.61 0.00 0.00 0.94 0.00 0.00 22 C 8.74 5.16 0.00 3.00 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 23 T 9.12 5.23 4.31 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 1.20 0.00 0.00 24 R 8.69 4.67 0.00 1.81 1.74 0.00 3.24 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 25 N 9.86 4.06 0.00 2.90 2.88 0.00 0.00 7.14 7.65 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 26 G 8.56 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 0.00 0.00 0.00 27 V 7.47 4.52 2.07 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 0.76 0.00 0.00 1.01 0.00 0.00 28 P 0.00 4.98 0.00 2.15 2.06 0.00 3.31 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 29 I 7.49 3.99 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 0.90 0.00 0.00