NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.9339 8.6004 119.9414 54.1246 43.2432 176.2482 2 A 3.9878 8.3775 122.0666 53.1658 18.2870 174.8925 3 E 4.2161 8.9477 112.4649 57.6405 32.1486 175.4064 4 F 4.5405 7.8164 120.1076 56.0168 37.3962 176.0240 5 R 4.5965 7.6557 116.9698 56.3952 31.1892 176.8869 6 H 5.1360 7.6454 116.2602 55.3459 29.4624 176.2218 7 D 4.5178 8.3209 120.6657 56.0657 39.6773 176.8372 8 S 4.6816 7.9367 114.5529 57.6169 63.0639 174.6615 9 G 4.4340 7.2407 107.4856 45.5998 0.0000 172.4350 10 Y 4.0211 7.5086 124.4864 57.8753 40.0923 174.6094 11 E 4.9957 7.9947 124.9820 54.5631 33.7902 176.4860 12 V 3.7761 8.3250 117.7986 65.4060 31.7159 177.8919 13 H 4.3142 8.0360 114.2148 57.4631 28.4626 175.0329 14 H 4.4735 7.4463 119.4432 55.4443 29.6667 174.6250 15 Q 4.3642 7.7370 116.5233 56.3527 28.7143 176.5707 16 K 4.1583 8.7133 122.0391 56.9121 32.1671 175.0362 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 D 8.60 4.93 0.00 2.70 2.83 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 2 A 8.38 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.95 4.22 0.00 1.77 1.94 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 2.19 1.47 0.00 4 F 7.82 4.54 0.00 3.11 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 5 R 7.66 4.60 0.00 1.75 1.97 0.00 3.35 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 6 H 7.65 5.14 0.00 3.08 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.32 4.52 0.00 2.80 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.94 4.68 0.00 3.91 3.93 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 9 G 7.24 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 4.02 0.00 3.04 2.79 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 0.00 0.00 0.00 11 E 7.99 5.00 0.00 1.82 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 12 V 8.32 3.78 2.12 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 0.75 0.00 0.00 0.97 0.00 0.00 13 H 8.04 4.31 0.00 3.21 3.47 0.00 5.53 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.45 4.47 0.00 2.93 2.39 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.74 4.36 0.00 2.33 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.50 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 16 K 8.71 4.16 0.00 1.77 1.95 0.00 1.76 0.00 0.00 1.96 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81