NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1606 8.1593 117.3666 63.3325 69.9042 174.0658 2 S 4.3533 8.2234 121.7217 56.5868 65.5476 173.8308 3 F 4.1941 9.4277 127.4020 62.0254 39.3439 178.6236 4 A 4.1428 8.3328 119.4278 55.3057 18.0492 179.0838 5 E 3.8571 8.1674 117.6043 59.4837 29.7630 178.3649 6 Y 4.1586 7.9069 116.8796 60.9448 37.8268 178.6515 7 W 3.9768 8.6876 129.2959 60.3040 30.5228 177.8681 8 A 3.9686 8.1761 120.1196 55.1016 17.8070 179.4113 9 L 4.0100 7.6472 116.7510 57.7113 41.8126 178.7823 10 L 3.8953 7.5774 119.0810 57.4396 42.1430 177.8837 11 S 4.0838 7.0101 112.7934 57.3624 63.4639 172.6508 12 P 4.3621 0.0000 0.0000 63.0627 31.0029 176.6451 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 T 8.16 4.16 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 0.28 0.00 0.00 2 S 8.22 4.35 0.00 4.20 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 3 F 9.43 4.19 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.14 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 3.86 0.00 2.00 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 2.01 2.22 0.00 6 Y 7.91 4.16 0.00 3.09 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 7 W 8.69 3.98 0.00 2.56 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 8 A 8.18 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.65 4.01 0.00 1.85 1.72 0.90 0.97 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 10 L 7.58 3.90 0.00 1.35 1.36 0.68 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.01 4.08 0.00 3.75 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.01 1.93 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00