NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.4664 8.3644 120.5307 52.6699 43.0765 173.6978 4 S 3.4579 8.0051 114.7080 57.7314 59.5567 167.5182 5 I 4.4898 8.5312 124.8543 58.7798 40.3726 174.6891 6 L 4.8398 8.2161 124.5306 53.1724 43.4840 177.2522 7 S 4.4839 8.8172 118.0674 57.7084 65.3467 175.2757 8 Q 3.9227 8.5909 122.3491 59.2462 28.5386 178.4041 9 A 4.1108 7.8772 121.3863 55.2803 18.3707 179.3488 10 E 3.9417 7.9340 115.8587 59.4865 29.8648 179.4061 11 I 3.8876 8.0767 120.4509 64.3925 37.1628 178.0074 12 D 4.3752 8.3568 119.7930 57.2220 40.3568 178.5098 13 A 4.0166 7.4841 120.9596 54.6827 18.4897 178.7723 14 L 4.5735 7.7907 113.5139 55.8059 41.6053 176.6950 15 L 4.6817 7.9426 117.3875 54.3584 44.2276 176.2066 16 N 4.5900 8.0225 120.1212 53.2330 38.8072 174.2201 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 3 D 8.36 4.47 0.00 2.66 2.80 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 8.01 3.46 0.00 4.07 3.87 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 I 8.53 4.49 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 0.91 0.00 0.00 6 L 8.22 4.84 0.00 1.62 1.57 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.82 4.48 0.00 4.05 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 8 Q 8.59 3.92 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 9 A 7.88 4.11 1.32 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 E 7.93 3.94 0.00 2.10 2.03 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 2.34 2.35 0.00 11 I 8.08 3.89 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.35 0.91 0.00 0.00 12 D 8.36 4.38 0.00 2.85 2.73 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 13 A 7.48 4.02 1.37 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 14 L 7.79 4.57 0.00 1.78 1.76 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.94 4.68 0.00 1.80 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.02 4.59 0.00 2.78 2.68 0.00 0.00 6.83 7.66 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