NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.1167 8.0549 120.2974 61.1245 32.7636 175.0313 8 F 4.1426 8.7371 120.7166 55.5981 39.6504 174.8383 9 S 4.5645 10.1303 122.0040 57.7398 66.4949 175.2224 10 Q 4.0332 8.5074 119.7354 58.7368 28.3397 178.6360 11 A 4.0857 7.8999 121.5653 54.7655 18.6385 179.5528 12 Q 3.8819 7.6391 116.3940 59.1399 28.8374 178.8797 13 L 3.5811 7.8541 119.9745 57.8724 41.6100 179.3912 14 C 4.1019 7.9914 116.2831 62.5354 28.1451 176.0235 15 A 3.9177 7.8618 122.2990 55.1786 17.9879 179.6790 16 L 3.7424 7.6784 117.4176 57.8958 41.4132 180.0585 17 K 4.1290 8.3481 118.6485 59.4241 31.6597 178.9838 18 D 4.3498 8.1460 118.5866 57.0477 41.1097 178.3462 19 R 4.0372 8.0052 119.0910 59.2656 29.9508 177.9178 20 F 4.6547 8.2046 120.8311 61.0462 39.3853 177.0271 21 Q 3.9103 7.8677 116.0200 57.9652 28.4545 177.9889 22 K 4.3734 7.1790 118.6126 56.4404 33.3152 177.0547 23 Q 4.4804 8.1789 118.1585 54.1538 32.0715 176.0764 24 K 3.6969 8.6298 121.8739 57.4572 32.8649 176.5592 25 Y 4.8050 7.8221 116.1063 55.9427 41.1285 174.3708 26 L 4.9921 8.1574 122.3354 52.0210 45.8318 177.1594 27 S 4.3834 10.0558 117.1215 57.7549 65.0419 174.9942 28 L 3.8412 8.5108 124.3365 58.8963 41.4907 178.7728 29 Q 3.8301 8.0696 118.4134 59.2914 28.9815 177.8233 30 Q 4.0951 8.1092 118.6512 59.4930 28.9362 179.2186 31 M 3.9342 8.3075 119.6980 58.8064 32.2572 178.5741 32 Q 4.1304 7.9190 118.7591 58.3928 29.2265 177.3322 33 E 3.9667 9.1060 121.8359 58.8030 29.5998 178.5457 34 L 3.9779 7.9537 120.6392 57.8306 42.2705 178.3806 35 S 4.1901 8.0545 113.4319 61.7900 62.1727 176.5322 36 S 4.3443 8.0556 116.1971 61.3952 62.6727 176.4860 37 I 3.7742 7.2197 122.2530 63.9613 36.9178 177.8550 38 L 4.0980 8.0020 118.3807 54.6456 42.6779 175.9025 39 N 4.0983 7.7607 115.6718 54.7398 36.9951 171.6385 40 L 4.8404 8.3243 117.5765 52.2596 46.3368 177.0670 41 S 4.4797 7.8988 113.9955 57.8020 63.8438 173.8075 42 Y 4.2212 8.6975 129.6381 60.7827 38.6375 178.0332 43 K 3.5625 8.1063 119.9200 59.8468 32.1813 178.3870 44 Q 4.1235 8.0360 117.4401 58.9142 28.6618 178.9737 45 V 3.7941 8.1333 119.5285 65.9038 31.7434 177.8779 46 K 3.9155 8.6570 120.4985 60.0187 31.8638 178.8267 47 T 3.9136 8.5358 116.1951 66.2359 68.2481 176.4748 48 W 3.9162 8.3627 130.2910 60.4051 30.7559 177.9069 49 F 3.6757 8.6755 117.6373 60.5256 38.4448 176.9980 50 Q 3.9624 8.0708 118.8891 59.6161 28.5407 178.6282 51 N 4.1683 8.0159 115.7574 56.4085 38.8047 176.8811 52 Q 3.6703 7.4512 119.3531 59.1721 28.4687 179.6646 53 R 4.3390 8.4077 118.9323 59.5158 29.8518 178.7811 54 M 4.0889 7.7797 117.1400 57.3738 32.0369 178.3752 55 K 4.1845 7.7180 118.2738 57.3464 32.5648 176.9633 56 C 4.4878 7.1671 116.4543 57.3573 31.2368 174.4569 57 K 3.8179 8.9226 125.0285 59.6458 31.7003 179.2588 58 R 4.0334 7.7370 112.5089 58.2933 29.3417 177.1096 59 W 4.9202 7.7596 117.2003 56.8998 29.6831 176.2541 60 Q 4.8345 8.0513 121.6842 55.2770 28.0831 175.1938 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 7 V 8.05 4.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.03 0.00 0.00 8 F 8.74 4.14 0.00 3.05 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 S 10.13 4.56 0.00 4.01 4.01 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 0.00 0.00 0.00 0.00 10 Q 8.51 4.03 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 11 A 7.90 4.09 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 12 Q 7.64 3.88 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 13 L 7.85 3.58 0.00 1.77 1.61 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.99 4.10 0.00 3.14 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 3.74 0.00 0.84 0.14 -0.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.35 4.13 0.00 1.81 1.90 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.53 7.81 18 D 8.15 4.35 0.00 2.93 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.01 4.04 0.00 2.23 2.14 0.00 3.27 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 1.79 1.82 0.00 20 F 8.20 4.65 0.00 3.08 3.21 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 21 Q 7.87 3.91 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.75 0.00 22 K 7.18 4.37 0.00 1.87 1.85 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.44 7.81 23 Q 8.18 4.48 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 24 K 8.63 3.70 0.00 1.52 1.32 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.12 7.81 25 Y 7.82 4.80 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.16 4.99 0.00 1.32 1.42 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 S 10.06 4.38 0.00 3.87 3.99 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 28 L 8.51 3.84 0.00 1.67 1.67 0.72 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.07 3.83 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 30 Q 8.11 4.10 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.50 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 31 M 8.31 3.93 0.00 2.30 2.45 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.72 0.00 32 Q 7.92 4.13 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 33 E 9.11 3.97 0.00 2.07 1.92 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 2.30 2.31 0.00 34 L 7.95 3.98 0.00 2.00 1.83 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.05 4.19 0.00 4.20 4.12 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 36 S 8.06 4.34 0.00 4.14 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 7.22 3.77 1.88 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 1.72 0.81 0.92 0.00 0.00 38 L 8.00 4.10 0.00 1.75 1.74 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.76 4.10 0.00 2.80 2.86 0.00 0.00 6.94 9.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.32 4.84 0.00 1.61 1.56 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.90 4.48 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.70 4.22 0.00 3.19 3.01 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 0.00 0.00 0.00 0.00 43 K 8.11 3.56 0.00 1.84 1.77 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 44 Q 8.04 4.12 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 45 V 8.13 3.79 2.37 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 1.27 0.00 0.00 1.13 0.00 0.00 46 K 8.66 3.92 0.00 1.07 1.59 0.00 1.40 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.33 7.81 47 T 8.54 3.91 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 48 W 8.36 3.92 0.00 3.53 3.31 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 0.00 49 F 8.68 3.68 0.00 3.23 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 50 Q 8.07 3.96 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 51 N 8.02 4.17 0.00 2.53 2.65 0.00 0.00 7.15 7.91 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 52 Q 7.45 3.67 0.00 1.25 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 53 R 8.41 4.34 0.00 1.98 2.06 0.00 2.47 0.00 0.00 2.71 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 54 M 7.78 4.09 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.90 0.00 55 K 7.72 4.18 0.00 1.82 1.71 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.38 1.37 7.81 56 C 7.17 4.49 0.00 1.88 1.98 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 57 K 8.92 3.82 0.00 1.73 1.86 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.41 7.81 58 R 7.74 4.03 0.00 1.93 2.01 0.00 2.86 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.15 0.00 59 W 7.76 4.92 0.00 3.48 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.05 4.83 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.55 0.00 0.00 0.00 0.00 0.00 2.55 2.29 0.00