NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3026 8.1233 123.5788 52.2374 19.5015 177.0607 2 C 4.4994 7.8210 119.1883 56.0738 37.4885 172.9292 3 Q 4.5286 8.7713 121.9399 55.1100 28.8632 174.3748 4 A 4.9284 7.3238 119.6947 50.0787 22.0392 177.5960 5 F 4.4395 8.3622 119.3181 56.3035 42.9357 175.2415 6 Y 3.7034 8.4566 117.8776 58.8988 35.4095 171.6986 7 A 4.0013 8.4324 124.9718 55.5066 18.5197 179.8686 8 S 4.1451 8.2330 109.2547 61.2951 62.8206 175.5836 9 S 4.5393 7.8198 123.9796 54.9920 62.3821 172.6473 10 P 4.2298 0.0000 0.0000 66.3466 30.8005 179.0669 11 R 3.9179 8.0565 117.1891 57.6378 30.0308 177.3304 12 K 4.3077 7.7813 116.8740 56.1755 32.9727 176.5054 13 S 4.8327 7.8817 113.2647 59.4394 63.9694 174.1818 14 I 4.6183 9.0683 122.1327 60.2222 40.5807 174.1052 15 H 5.0872 9.0848 125.1641 54.6501 29.0840 175.1524 16 I 4.1471 8.6500 125.4149 63.3687 38.0791 176.0038 17 G 3.9996 7.7138 107.8658 44.3850 0.0000 172.3732 18 A 4.0831 8.3970 122.4354 51.9452 18.8144 178.2813 19 C 4.4374 8.5550 121.3556 57.1233 44.5920 173.3965 20 A 4.1305 8.2449 125.8287 52.7734 18.7717 177.6701 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 8.12 4.30 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 2 C 7.82 4.50 0.00 2.98 2.93 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 0.00 0.00 0.00 0.00 3 Q 8.77 4.53 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 4 A 7.32 4.93 1.01 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 0.00 0.00 5 F 8.36 4.44 0.00 3.12 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 6 Y 8.46 3.70 0.00 3.34 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 7 A 8.43 4.00 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 8 S 8.23 4.15 0.00 4.01 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.54 0.00 4.02 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 10 P 0.00 4.23 0.00 2.26 2.41 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 11 R 8.06 3.92 0.00 1.82 2.05 0.00 3.18 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 12 K 7.78 4.31 0.00 1.65 1.94 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.00 1.04 7.81 13 S 7.88 4.83 0.00 3.92 4.06 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 0.00 0.00 0.00 14 I 9.07 4.62 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 1.01 0.00 0.00 15 H 9.08 5.09 0.00 3.03 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.65 4.15 2.07 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 1.23 0.75 0.97 0.00 0.00 17 G 7.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 4.08 1.26 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 19 C 8.55 4.44 0.00 2.94 2.99 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 20 A 8.24 4.13 1.33 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