NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2510 8.2649 123.5719 50.8865 19.9371 176.6595 2 P 3.8729 0.0000 0.0000 62.4268 31.7232 175.3462 3 S 4.2183 7.9257 117.4930 60.6326 64.2616 174.1460 4 Y 4.4494 6.9283 117.4583 56.0892 38.7971 174.7540 5 S 4.4870 8.4689 114.7928 56.8488 63.2642 171.8196 6 P 4.6172 0.0000 0.0000 61.5619 31.9964 174.4724 7 P 4.4297 0.0000 0.0000 61.8995 31.9416 174.5140 8 P 4.5002 0.0000 0.0000 61.6047 32.1062 174.3098 9 P 4.3254 0.0000 0.0000 62.0899 31.8231 174.9083 10 P 4.4173 0.0000 0.0000 63.1767 31.1491 176.1529 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 8.26 4.25 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 3.87 0.00 1.49 0.63 0.00 3.52 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 3 S 7.93 4.22 0.00 3.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.93 4.45 0.00 3.03 3.01 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 5 S 8.47 4.49 0.00 3.91 3.86 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 6 P 0.00 4.62 0.00 2.25 2.06 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 7 P 0.00 4.43 0.00 2.21 2.11 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 8 P 0.00 4.50 0.00 2.21 2.10 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 9 P 0.00 4.33 0.00 2.06 2.04 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 10 P 0.00 4.42 0.00 2.17 2.04 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00