NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4156 8.2393 119.7072 56.0619 31.2637 176.1945 2 M 4.3240 8.2672 129.0840 53.6418 30.9257 174.8306 3 K 3.9561 9.3678 120.2480 57.0225 33.6745 176.2034 4 K 4.5522 7.8945 118.0500 55.9412 36.0445 176.6957 5 K 4.3147 7.9897 118.3521 56.4500 33.0359 174.6254 6 D 4.9397 8.0427 130.1173 52.3074 39.4159 176.4788 7 E 4.3299 8.2951 116.1540 56.9979 29.9646 175.9836 8 G 4.0386 7.3917 106.3292 43.5145 0.0000 173.0393 9 S 4.1898 8.0206 121.0752 57.9305 63.1649 172.3474 10 Y 4.8355 7.6319 124.3938 57.9631 47.7486 174.7526 11 D 4.7558 7.6201 121.9299 52.1025 42.4516 175.1623 12 L 4.4398 7.4748 118.0713 55.0360 45.4504 172.3264 13 G 4.3266 8.7110 114.1696 46.5259 0.0000 173.8436 14 K 4.4994 7.8448 118.4791 54.6364 33.6354 175.9363 15 K 4.7439 8.0756 119.4343 53.6389 35.8269 174.5669 16 P 4.5891 0.0000 0.0000 63.2885 32.5574 176.9643 17 I 4.4779 7.6538 110.0364 60.3096 37.7918 174.5212 18 Y 3.8910 7.9239 121.5698 58.0417 39.5170 175.0380 19 K 4.9543 7.1050 133.6652 56.4336 33.2244 171.9835 20 K 4.5671 7.4339 122.5797 54.5043 36.0258 175.6355 21 A 4.5632 7.6965 120.4105 50.1405 18.9346 175.6733 22 P 4.5967 0.0000 0.0000 64.1115 32.7477 177.0968 23 T 4.0908 6.6089 112.0150 63.0479 72.7689 172.6389 24 N 5.0787 8.7408 110.8642 52.3977 39.0827 173.5531 25 E 4.7767 7.7947 117.6801 54.4211 33.6063 173.8199 26 F 4.5847 8.8298 124.2729 56.4950 41.4306 173.3526 27 Y 4.6052 8.3649 128.7174 55.8168 40.8324 175.0422 28 A 4.2832 7.9629 128.4034 53.0946 19.0902 175.7761 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 8.24 4.42 0.00 1.82 2.00 0.00 3.18 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 2 M 8.27 4.32 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 3 K 9.37 3.96 0.00 1.77 1.83 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.50 7.81 4 K 7.89 4.55 0.00 1.69 1.69 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.58 7.81 5 K 7.99 4.31 0.00 1.65 1.69 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.46 7.81 6 D 8.04 4.94 0.00 2.90 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 7 E 8.30 4.33 0.00 1.96 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 2.26 2.30 0.00 8 G 7.39 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 0.00 0.00 0.00 9 S 8.02 4.19 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 4.84 0.00 3.04 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 11 D 7.62 4.76 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 4.44 0.00 1.62 1.51 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.71 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 0.00 0.00 0.00 0.00 14 K 7.84 4.50 0.00 1.77 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 15 K 8.08 4.74 0.00 1.70 1.68 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 16 P 0.00 4.59 0.00 2.24 2.10 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 17 I 7.65 4.48 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.36 0.98 0.00 0.00 18 Y 7.92 3.89 0.00 2.99 2.98 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 19 K 7.11 4.95 0.00 1.79 1.70 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.25 7.81 20 K 7.43 4.57 0.00 1.48 1.49 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.29 7.81 21 A 7.70 4.56 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 2.15 2.12 0.00 3.74 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 23 T 6.61 4.09 4.23 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 1.22 0.00 0.00 24 N 8.74 5.08 0.00 2.65 2.69 0.00 0.00 6.53 7.69 0.00 0.00 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 E 7.79 4.78 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 26 F 8.83 4.58 0.00 3.12 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 27 Y 8.36 4.61 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.96 4.28 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