NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2884 8.2501 120.8609 56.2176 31.7958 175.0362 2 A 4.7051 8.0560 127.5008 50.6100 20.6202 174.0139 3 A 4.0538 8.2645 119.0042 52.1507 20.2990 175.4932 4 P 4.6963 0.0000 0.0000 62.9516 30.4220 176.1753 5 Y 4.8593 8.2192 111.2013 57.4328 38.9556 177.3982 6 G 5.2620 7.2426 122.2662 46.1607 0.0000 171.1551 7 V 4.4117 6.8313 110.0405 60.3750 36.0299 174.5694 8 R 4.3036 8.4568 119.4857 55.9210 30.6454 176.0718 9 L 4.7150 8.4919 122.1173 53.1204 44.3677 175.5031 10 C 4.7239 8.7066 121.6870 58.5956 32.0070 175.5120 11 G 4.0152 9.4229 114.2273 46.2436 0.0000 175.1980 12 R 3.9247 9.2216 121.3737 59.4723 29.6493 178.0601 13 E 3.9362 8.4474 119.2621 58.7999 29.3858 178.9620 14 F 4.2497 8.0610 120.3366 61.3897 39.5951 176.9785 15 I 3.2790 7.7712 119.1803 64.5227 36.9644 178.7794 16 R 3.7577 7.9209 118.4209 58.9875 29.7185 179.0511 17 A 4.0166 8.0128 121.0232 54.9034 18.3404 179.7696 18 V 3.4170 7.5401 116.7766 66.1441 31.4572 178.2435 19 I 3.9480 7.6196 119.3383 64.6355 36.9169 178.3008 20 F 4.4859 9.0400 119.0695 61.0509 38.5759 177.9138 21 T 4.1323 8.6897 108.4033 65.0909 68.6567 175.8103 22 C 4.4900 8.2986 117.5051 59.8042 28.4422 175.3408 23 G 5.0287 8.0891 121.7545 45.5132 0.0000 172.9622 24 G 4.4615 9.3800 112.9349 45.5571 0.0000 175.6564 25 S 4.8712 7.5909 114.4028 57.8905 63.5078 175.1809 26 R 4.1728 7.9680 121.6698 57.4207 31.1078 175.5854 27 W 4.2666 8.2001 118.3422 57.2423 27.4468 173.8718 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 8.25 4.29 0.00 1.79 1.90 0.00 3.15 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 2 A 8.06 4.71 1.20 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 0.00 0.00 3 A 8.26 4.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.70 0.00 2.31 2.19 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.06 0.00 5 Y 8.22 4.86 0.00 2.92 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 6 G 7.24 5.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 6.83 4.41 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 0.77 0.00 0.00 0.99 0.00 0.00 8 R 8.46 4.30 0.00 1.81 1.87 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 9 L 8.49 4.71 0.00 1.76 1.84 0.97 1.02 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 10 C 8.71 4.72 0.00 2.95 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 11 G 9.42 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.22 3.92 0.00 2.01 2.19 0.00 2.95 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 13 E 8.45 3.94 0.00 2.22 2.03 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 2.42 2.45 0.00 14 F 8.06 4.25 0.00 3.03 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 15 I 7.77 3.28 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.70 0.00 0.00 16 R 7.92 3.76 0.00 1.68 1.41 0.00 3.20 0.00 0.00 2.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 17 A 8.01 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.54 3.42 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.34 0.00 0.00 19 I 7.62 3.95 2.18 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.90 1.36 0.00 0.00 20 F 9.04 4.49 0.00 3.27 3.22 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 21 T 8.69 4.13 4.13 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 1.34 0.00 0.00 22 C 8.30 4.49 0.00 3.31 3.12 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 23 G 8.09 5.03 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 0.00 0.00 0.00 24 G 9.38 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.59 4.87 0.00 3.85 3.88 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 R 7.97 4.17 0.00 1.67 1.94 0.00 3.00 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 27 W 8.20 4.27 0.00 3.33 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00