NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3116 8.2493 123.5763 52.0332 19.9267 175.0008 2 C 5.0590 8.3418 116.0511 53.4293 40.6197 171.9257 3 S 4.5889 9.0179 120.2270 58.2470 64.4887 175.0553 4 K 3.8415 9.9028 123.8057 55.7841 33.1046 176.8500 5 K 3.4404 9.0341 121.4248 60.3838 32.3653 177.3849 6 W 4.9311 7.7188 118.8895 57.3785 30.6817 177.1303 7 E 4.8287 7.4486 125.2830 55.9651 27.4594 177.5242 8 Y 5.2873 8.3107 116.1559 55.2199 41.7803 173.5010 9 C 4.2001 7.9187 122.9770 55.6918 45.5491 171.9032 10 I 4.0567 7.6427 126.4075 58.6791 40.1201 175.1562 11 V 4.6616 7.4686 119.8014 59.2935 31.6995 173.7803 12 P 4.4366 0.0000 0.0000 62.1621 32.8197 177.7799 13 I 4.6872 8.2077 116.9017 59.1383 35.3540 173.6055 14 L 4.2921 6.9659 127.9430 55.9254 47.1132 174.5742 15 G 3.7821 7.8234 104.3381 44.9141 0.0000 172.2559 16 F 4.8704 7.5611 117.4141 55.0609 41.1228 174.3256 17 V 4.1420 7.6040 120.8547 62.5625 33.2244 174.1004 18 Y 4.9365 7.4921 115.8008 56.0787 41.0991 175.6617 19 C 5.2155 8.7957 120.3604 56.1115 41.5090 173.8248 20 C 4.6963 8.3914 117.0456 56.1430 41.1985 171.9944 21 P 4.3910 0.0000 0.0000 65.3593 31.0612 175.3722 22 G 3.9522 8.6913 114.2696 45.2272 0.0000 173.3329 23 L 4.9973 7.9416 119.3141 52.8083 44.0702 176.4511 24 I 4.5940 8.6029 115.1123 58.9347 40.6294 174.3360 25 C 4.7790 8.8260 122.9555 56.3035 40.8830 173.1285 26 G 3.8525 8.9967 114.1432 44.4255 0.0000 174.9936 27 P 4.6989 0.0000 0.0000 62.8747 28.7156 176.2289 28 F 4.0417 8.4329 115.5583 58.5015 37.3923 175.4647 29 V 4.5902 7.0758 114.5793 60.9499 35.6541 172.5429 30 C 5.3045 8.8773 121.1591 55.8301 44.1589 175.8764 31 V 3.6999 8.4884 115.4952 61.4640 32.4736 175.4062 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 8.25 4.31 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 2 C 8.34 5.06 0.00 3.22 3.23 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 0.00 0.00 0.00 0.00 3 S 9.02 4.59 0.00 3.69 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.90 3.84 0.00 1.76 1.77 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 5 K 9.03 3.44 0.00 1.57 1.52 0.00 1.29 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.89 7.81 6 W 7.72 4.93 0.00 3.32 3.25 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 7 E 7.45 4.83 0.00 1.98 1.23 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 0.00 2.36 2.31 0.00 8 Y 8.31 5.29 0.00 2.91 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.20 0.00 2.80 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 4.06 1.02 0.00 0.00 0.55 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 0.40 0.64 0.00 0.00 11 V 7.47 4.66 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.80 0.00 0.00 12 P 0.00 4.44 0.00 2.19 1.97 0.00 3.94 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 13 I 8.21 4.69 1.91 0.00 0.00 0.88 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 0.55 0.97 0.00 0.00 14 L 6.97 4.29 0.00 1.55 1.61 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.82 3.78 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 0.00 0.00 0.00 16 F 7.56 4.87 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 4.14 1.95 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 0.63 0.00 0.00 0.81 0.00 0.00 18 Y 7.49 4.94 0.00 3.09 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.80 5.22 0.00 3.00 3.04 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 20 C 8.39 4.70 0.00 2.89 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.04 2.05 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 22 G 8.69 3.95 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 0.00 0.00 0.00 23 L 7.94 5.00 0.00 1.46 1.56 0.90 0.77 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 24 I 8.60 4.59 1.77 0.00 0.00 0.79 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 1.51 0.85 0.00 0.00 25 C 8.83 4.78 0.00 2.67 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.70 0.00 2.31 2.29 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 28 F 8.43 4.04 0.00 3.35 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.08 4.59 2.25 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 0.80 0.00 0.00 0.97 0.00 0.00 30 C 8.88 5.30 0.00 2.81 2.94 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 31 V 8.49 3.70 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.84 0.00 0.00