NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9845 8.3544 109.7361 45.6539 0.0000 175.5547 2 C 4.5790 8.7063 120.7008 55.8489 45.8198 173.0471 3 C 4.0616 8.1967 113.2367 57.9625 42.1311 174.1660 4 S 4.1437 8.0628 112.9335 59.3676 62.8872 173.2868 5 N 4.9266 8.3663 120.8679 51.3969 41.3412 172.6532 6 P 4.4507 0.0000 0.0000 63.6511 31.1835 176.4050 7 R 4.3182 7.6806 117.3458 56.7565 29.7340 175.2956 8 C 4.8734 7.6635 115.2925 56.3869 44.6497 175.3860 9 A 4.0316 8.4664 123.0074 54.7348 18.0734 179.9520 10 W 4.4977 8.4264 114.4907 59.6535 29.3499 176.5884 11 R 4.5151 7.3343 109.8062 55.9929 31.7552 173.6227 12 C 4.4423 8.6892 118.5487 57.0713 44.8810 173.5873 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 G 8.35 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.58 0.00 2.98 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 3 C 8.20 4.06 0.00 3.13 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.06 4.14 0.00 3.99 4.03 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 5 N 8.37 4.93 0.00 2.74 2.75 0.00 0.00 6.86 7.20 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 6 P 0.00 4.45 0.00 2.20 2.12 0.00 3.78 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 1.96 1.94 0.00 7 R 7.68 4.32 0.00 1.76 1.87 0.00 3.12 0.00 0.00 3.09 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 8 C 7.66 4.87 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.03 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 10 W 8.43 4.50 0.00 3.19 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 11 R 7.33 4.52 0.00 1.93 1.95 0.00 3.11 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 12 C 8.69 4.44 0.00 2.91 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