NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4080 8.1627 120.3487 55.3324 34.6450 177.1484 2 K 3.6783 8.1911 119.6373 58.6094 31.9975 173.2500 3 V 3.5508 7.9110 118.1938 66.0045 31.9976 177.1537 4 K 4.0457 8.0463 118.7643 59.7190 32.0163 178.5326 5 Q 4.0062 8.0989 118.2291 59.0431 28.6044 178.7734 6 L 4.0565 8.1193 120.0130 57.7229 41.5859 179.3460 7 E 4.0019 8.5608 119.0432 59.5615 29.4776 179.1056 8 D 4.3969 8.2111 118.8410 56.7779 40.8524 179.0443 9 V 3.5356 7.7575 119.0961 65.9254 31.7504 177.8947 10 V 3.5715 8.0375 118.4027 66.1836 31.3219 177.3645 11 E 3.9106 8.2442 118.7095 59.5638 29.4895 178.5534 12 E 4.1061 8.1178 118.5364 59.0619 29.6212 178.6651 13 L 4.1056 8.1860 119.1462 57.3926 41.6008 179.3086 14 L 4.0285 7.7730 119.0208 57.8625 41.4150 179.6808 15 S 4.2548 7.7264 113.8211 61.3875 62.7535 176.7421 16 V 3.6548 7.8729 120.9763 66.3457 31.3340 177.9639 17 N 4.3874 8.4485 116.2082 56.1677 38.3158 176.8838 18 Y 4.2589 8.1746 121.0731 61.2234 38.9432 177.9241 19 H 3.7433 8.4578 117.2907 58.5887 28.6722 177.8382 20 L 3.9593 8.1097 120.9060 57.8430 41.4421 179.2458 21 E 3.9196 8.6293 118.8349 59.5373 29.2892 179.2431 22 N 4.1897 7.9079 116.3392 56.1735 38.4886 177.5008 23 V 3.5141 7.7526 119.5705 65.9593 31.5448 178.0435 24 V 3.5312 7.9324 117.7654 66.1193 31.3442 177.8447 25 A 3.9718 8.0790 120.3685 55.0834 18.1608 179.5475 26 R 3.8076 8.2900 117.5848 59.6257 30.1835 178.8253 27 L 3.9866 8.2508 119.1208 57.6764 41.5994 179.5372 28 K 3.9766 8.4456 118.9157 59.4269 31.7246 179.5635 29 K 3.9797 8.0806 118.7881 59.2408 31.7530 179.0213 30 L 4.0329 7.8893 119.6881 57.8662 42.1131 178.6292 31 V 4.1545 7.6910 108.7261 60.0633 32.8388 175.4557 32 G 3.6822 7.6479 104.7229 46.6340 0.0000 173.9251 33 E 4.2448 8.6507 122.1590 56.2603 29.6698 176.7050 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 8.16 4.41 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 2 K 8.19 3.68 0.00 1.94 1.80 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.55 7.81 3 V 7.91 3.55 2.08 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 1.07 0.00 0.00 0.93 0.00 0.00 4 K 8.05 4.05 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.54 7.81 5 Q 8.10 4.01 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 6 L 8.12 4.06 0.00 1.82 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.56 4.00 0.00 2.15 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 2.33 2.46 0.00 8 D 8.21 4.40 0.00 2.86 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 9 V 7.76 3.54 2.24 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 1.00 0.00 0.00 0.96 0.00 0.00 10 V 8.04 3.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.98 0.00 0.00 11 E 8.24 3.91 0.00 2.19 2.12 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 2.31 2.32 0.00 12 E 8.12 4.11 0.00 2.12 1.94 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 2.33 2.37 0.00 13 L 8.19 4.11 0.00 1.91 1.72 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.77 4.03 0.00 1.87 1.72 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.73 4.25 0.00 4.16 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.65 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 1.05 0.00 0.00 0.98 0.00 0.00 17 N 8.45 4.39 0.00 2.82 2.88 0.00 0.00 6.72 7.04 0.00 0.00 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 Y 8.17 4.26 0.00 3.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.46 3.74 0.00 3.32 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.11 3.96 0.00 1.83 1.70 0.92 0.76 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 21 E 8.63 3.92 0.00 2.07 1.99 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 2.34 2.55 0.00 22 N 7.91 4.19 0.00 2.69 2.70 0.00 0.00 6.65 7.26 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 23 V 7.75 3.51 2.19 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 1.06 0.00 0.00 0.92 0.00 0.00 24 V 7.93 3.53 2.20 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 1.01 0.00 0.00 0.97 0.00 0.00 25 A 8.08 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.29 3.81 0.00 1.90 1.91 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 27 L 8.25 3.99 0.00 1.70 1.69 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.45 3.98 0.00 1.91 2.02 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.65 7.81 29 K 8.08 3.98 0.00 1.98 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.58 7.81 30 L 7.89 4.03 0.00 1.76 1.91 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.69 4.15 2.08 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 0.79 0.00 0.00 1.00 0.00 0.00 32 G 7.65 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 0.00 0.00 0.00 33 E 8.65 4.24 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00