NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.7315 8.0544 120.3372 62.1282 32.3968 175.6606 3 Q 3.5810 6.8125 114.8666 54.8045 32.5005 173.6242 4 A 3.5103 5.8850 120.2123 52.1030 18.6125 175.6820 5 R 3.9017 8.6206 110.9129 56.6485 29.0931 175.8923 6 W 4.9292 7.8989 118.6876 56.9464 29.8232 174.8195 7 E 3.5500 7.5667 114.5614 59.6479 28.4150 176.6492 8 A 4.5427 5.9091 120.8567 49.8474 26.3000 175.0429 9 A 5.3049 7.0219 125.4317 51.2990 21.6693 174.8100 10 F 4.6403 8.3640 116.4159 56.9196 41.4826 174.9471 11 D 4.8728 8.7393 126.6776 54.4464 43.0960 176.1741 12 L 4.3681 7.8433 116.4162 56.0462 43.9641 175.7261 13 D 4.6990 8.1126 120.8203 54.6619 42.1622 172.9594 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 2 V 8.05 3.73 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.11 0.00 0.00 3 Q 6.81 3.58 0.00 1.60 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.10 0.00 0.00 0.00 0.00 0.00 2.22 2.60 0.00 4 A 5.88 3.51 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 5 R 8.62 3.90 0.00 2.05 2.20 0.00 3.46 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 6 W 7.90 4.93 0.00 3.41 3.21 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 7 E 7.57 3.55 0.00 1.16 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 1.97 1.83 0.00 8 A 5.91 4.54 1.07 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 0.00 0.00 9 A 7.02 5.30 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.36 4.64 0.00 2.87 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.87 0.00 2.59 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 7.84 4.37 0.00 1.58 1.61 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.11 4.70 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00