NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3499 8.1133 119.7064 56.5541 32.5727 177.4798 2 M 3.8521 8.0509 117.3508 57.4775 31.7928 176.9809 3 K 3.9328 8.8014 120.6029 59.4893 32.8069 178.3544 4 Q 3.9839 8.0249 117.8537 59.0682 28.6293 178.7049 5 I 3.7015 7.9321 120.8008 64.4653 37.1664 178.3348 6 E 3.9616 8.4808 119.6687 59.5708 29.2954 179.2305 7 D 4.3683 8.4441 119.2494 57.1194 40.8787 178.7332 8 K 3.9561 8.2613 120.2816 59.5111 32.1260 178.9745 9 I 3.7030 8.0463 120.3988 64.3738 37.0123 177.9820 10 E 3.8979 8.2617 120.1535 59.1831 29.4392 178.4432 11 E 3.9169 8.2606 119.3226 59.3671 29.6369 178.9496 12 I 3.7299 7.8165 119.7561 64.5141 37.1971 178.3324 13 E 3.9651 8.4717 119.6480 59.4421 29.2044 179.6865 14 S 4.1327 8.2852 115.4395 61.3564 62.8048 176.5666 15 K 3.9423 8.1615 122.3677 59.5453 31.8546 178.7594 16 Q 3.9890 8.3217 118.5266 59.0591 28.6560 179.1732 17 K 4.1242 8.1098 119.3951 59.1776 32.0524 179.2291 18 K 3.8961 8.0489 119.9515 59.6490 32.0523 178.8340 19 I 3.6966 7.9890 120.1392 64.5235 37.0574 178.2035 20 E 3.9580 8.4239 119.5400 59.5495 29.2744 179.2982 21 N 4.3502 8.3132 116.4839 56.2041 38.5318 177.0997 22 E 3.9410 8.2110 120.7557 59.2903 29.6601 178.8628 23 I 3.6621 8.0213 119.7844 64.4110 37.1907 178.2324 24 A 3.9836 8.0640 121.5025 55.2346 18.2345 179.9707 25 R 3.8750 8.0146 116.5514 59.4066 30.0757 179.3619 26 I 3.7264 8.0192 119.8315 64.3230 37.0776 178.6190 27 K 3.9834 8.3088 119.5339 59.4094 31.9726 179.5898 28 K 3.9706 8.0279 118.7675 59.3512 31.9969 179.2541 29 L 3.9815 7.9018 120.5604 57.9075 42.0062 178.6070 30 L 3.9905 8.3156 120.7905 58.3258 41.9882 178.9629 31 Q 4.0560 8.3139 117.9998 59.0216 28.5675 178.8768 32 L 4.0865 7.8567 119.9593 57.9814 41.5546 179.6892 33 T 3.9797 8.0897 109.8854 64.5778 68.7479 176.9335 34 V 3.5786 8.0646 121.2030 65.5598 31.6153 177.7147 35 W 4.2116 8.4069 128.2484 60.4968 30.5168 178.0934 36 G 3.7103 8.6112 105.7496 47.9678 0.0000 175.6828 37 I 3.6804 8.0644 122.6487 63.8883 37.1142 178.4189 38 K 3.8109 8.0316 120.4400 59.5927 32.0094 178.9419 39 Q 3.7026 7.6196 118.2388 58.7031 28.5404 178.6761 40 L 3.9096 7.9006 120.1375 57.7281 41.6260 179.2655 41 Q 3.9104 8.3372 119.6498 59.1774 28.7504 178.2534 42 A 3.9353 7.7493 120.7589 55.0104 18.4155 179.3056 43 R 3.9431 7.6621 116.5432 59.6835 30.2569 178.6052 44 I 3.8348 7.6672 118.5703 63.7457 37.1191 176.6384 45 L 4.3400 7.8902 123.7096 54.8501 41.7794 176.3801 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 R 8.11 4.35 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 2 M 8.05 3.85 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 3 K 8.80 3.93 0.00 1.86 1.80 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.59 7.81 4 Q 8.02 3.98 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 I 7.93 3.70 2.00 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 1.52 0.83 0.91 0.00 0.00 6 E 8.48 3.96 0.00 2.14 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 2.50 0.00 7 D 8.44 4.37 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 8 K 8.26 3.96 0.00 2.01 1.91 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.62 7.81 9 I 8.05 3.70 2.00 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 1.41 0.59 0.91 0.00 0.00 10 E 8.26 3.90 0.00 2.25 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 2.31 2.36 0.00 11 E 8.26 3.92 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 2.35 0.00 12 I 7.82 3.73 2.00 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 1.52 0.56 0.91 0.00 0.00 13 E 8.47 3.97 0.00 2.12 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 2.53 0.00 14 S 8.29 4.13 0.00 4.02 3.91 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 0.00 0.00 0.00 15 K 8.16 3.94 0.00 2.02 1.91 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 16 Q 8.32 3.99 0.00 2.33 2.14 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 2.38 2.59 0.00 17 K 8.11 4.12 0.00 2.00 1.85 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.64 7.81 18 K 8.05 3.90 0.00 1.84 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 19 I 7.99 3.70 2.03 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 1.52 0.51 0.91 0.00 0.00 20 E 8.42 3.96 0.00 2.18 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 2.47 0.00 21 N 8.31 4.35 0.00 2.92 2.86 0.00 0.00 6.64 7.21 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 22 E 8.21 3.94 0.00 2.22 2.06 0.00 0.00 0.00 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 2.40 0.00 23 I 8.02 3.66 2.02 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 0.53 0.91 0.00 0.00 24 A 8.06 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.01 3.87 0.00 2.06 1.98 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 26 I 8.02 3.73 2.02 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 1.52 0.80 0.92 0.00 0.00 27 K 8.31 3.98 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.59 7.81 28 K 8.03 3.97 0.00 1.97 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 29 L 7.90 3.98 0.00 1.79 1.66 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.32 3.99 0.00 1.85 1.88 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.31 4.06 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 32 L 7.86 4.09 0.00 1.88 1.73 0.88 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.09 3.98 4.28 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 1.31 0.00 0.00 34 V 8.06 3.58 2.32 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 1.03 0.00 0.00 1.04 0.00 0.00 35 W 8.41 4.21 0.00 3.47 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.61 3.71 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 0.00 0.00 0.00 37 I 8.06 3.68 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.89 0.00 0.00 38 K 8.03 3.81 0.00 1.83 1.67 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.39 7.81 39 Q 7.62 3.70 0.00 1.82 1.77 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 1.16 1.16 0.00 40 L 7.90 3.91 0.00 1.63 1.67 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.34 3.91 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 42 A 7.75 3.94 1.29 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 0.00 0.00 0.00 43 R 7.66 3.94 0.00 1.78 2.08 0.00 3.30 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 44 I 7.67 3.83 1.98 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 1.50 0.72 0.89 0.00 0.00 45 L 7.89 4.34 0.00 1.67 1.55 0.90 0.67 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