NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2527 8.2544 119.7070 55.9628 32.2999 176.3567 2 C 4.4351 8.0746 117.7931 55.4920 44.1611 172.0677 3 C 5.0622 8.9837 123.9056 56.6306 36.1092 172.5011 4 H 4.9626 7.8857 118.4915 53.5618 32.7937 172.0993 5 P 4.2354 0.0000 0.0000 65.8999 31.5300 178.1823 6 Q 3.9720 8.6571 118.1332 59.3036 28.8805 175.8578 7 C 4.6100 8.0465 109.5007 55.4329 41.6308 173.7843 8 G 3.8284 8.1084 107.0709 46.3831 0.0000 173.8801 9 M 3.9961 8.1037 117.8536 55.8410 32.7177 174.8156 10 A 4.4814 8.6480 126.1454 53.3740 21.2039 175.8030 11 E 4.4919 7.8877 114.8471 54.4944 30.9262 175.6086 12 E 4.1638 8.5606 125.2823 56.6642 30.3709 177.6214 13 C 4.4553 8.5902 117.9460 57.2638 41.4940 173.7950 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 R 8.25 4.25 0.00 1.82 2.06 0.00 3.17 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 2 C 8.07 4.44 0.00 3.02 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 8.98 5.06 0.00 2.97 3.03 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 4 H 7.89 4.96 0.00 3.09 3.05 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.24 0.00 2.15 2.08 0.00 3.01 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 6 Q 8.66 3.97 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.50 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 7 C 8.05 4.61 0.00 3.14 3.16 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 G 8.11 3.83 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 9 M 8.10 4.00 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 10 A 8.65 4.48 1.24 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 0.00 0.00 11 E 7.89 4.49 0.00 1.93 1.85 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 2.23 2.31 0.00 12 E 8.56 4.16 0.00 1.99 1.86 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 2.31 2.32 0.00 13 C 8.59 4.46 0.00 2.95 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