NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2446 8.2649 123.5714 50.8394 19.9495 176.3999 2 P 3.9475 0.0000 0.0000 62.2338 31.6335 175.7971 3 S 4.1665 8.0900 117.8546 61.2550 64.0521 174.2879 4 Y 4.4476 7.1377 117.1982 56.1989 38.6978 174.8446 5 S 4.4471 8.4834 115.0694 56.9468 63.2140 171.9613 6 P 4.6540 0.0000 0.0000 61.5802 32.0249 174.2840 7 P 4.5228 0.0000 0.0000 61.6104 32.1060 174.5036 8 P 4.4762 0.0000 0.0000 61.6782 32.0614 174.5098 9 P 4.3355 0.0000 0.0000 62.1575 31.8991 174.8661 10 P 4.4186 0.0000 0.0000 63.2009 31.2013 176.3593 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 4.24 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 3.95 0.00 1.25 0.56 0.00 3.49 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 3 S 8.09 4.17 0.00 3.87 3.91 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 7.14 4.45 0.00 3.00 2.98 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 5 S 8.48 4.45 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 4.65 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 4.52 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 1.97 0.00 8 P 0.00 4.48 0.00 2.20 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 4.34 0.00 2.06 2.05 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 10 P 0.00 4.42 0.00 2.04 1.99 0.00 3.71 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 2.03 2.10 0.00