NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2438 8.1933 115.2895 56.9866 62.8119 172.8902 2 P 2.0000 0.0000 0.0000 63.1457 31.3055 175.1077 3 G 3.6067 6.7252 111.7006 45.2456 0.0000 174.2739 4 S 4.3945 7.5084 114.8970 57.8742 64.9370 175.0030 5 R 4.1092 8.7116 122.8190 60.0400 29.7235 178.7081 6 E 4.0119 8.2159 117.6802 58.9996 29.5561 178.7536 7 W 4.0802 8.1212 128.0136 60.5912 30.7582 177.8610 8 F 4.3106 8.6461 117.8371 60.5189 38.0229 177.4025 9 K 3.8930 8.4705 119.3385 59.7892 31.7648 178.2022 10 D 4.3679 8.0949 117.8445 57.9681 40.8611 178.8098 11 M 3.9276 7.6486 117.3658 57.4986 31.9387 177.9400 12 L 4.4143 7.7136 117.2780 55.1383 42.2989 176.8006 13 S 4.1905 7.5385 117.4890 58.3813 63.1882 173.6741 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 S 8.19 4.24 0.00 3.81 3.78 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 2.00 0.00 1.52 0.79 0.00 3.40 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 3 G 6.73 3.61 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 4 S 7.51 4.39 0.00 4.13 3.99 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 5 R 8.71 4.11 0.00 2.00 2.07 0.00 3.23 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 6 E 8.22 4.01 0.00 2.17 2.04 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 2.44 2.47 0.00 7 W 8.12 4.08 0.00 3.38 3.15 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 F 8.65 4.31 0.00 3.38 3.07 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 K 8.47 3.89 0.00 1.97 2.01 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.52 7.81 10 D 8.09 4.37 0.00 2.62 2.57 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 M 7.65 3.93 0.00 1.55 1.71 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.52 0.00 12 L 7.71 4.41 0.00 1.68 1.70 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.54 4.19 0.00 3.93 3.74 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