NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9053 8.3393 109.7364 44.7063 0.0000 173.8033 4 P 4.3674 0.0000 0.0000 60.5742 32.3691 173.6037 5 P 4.3159 0.0000 0.0000 62.4197 32.5846 178.0463 6 G 3.8752 8.2854 110.4568 44.1144 0.0000 171.3509 7 P 4.4864 0.0000 0.0000 61.3467 31.9669 174.5247 8 P 4.2761 0.0000 0.0000 62.5880 31.6535 176.8570 9 G 3.8495 8.3030 110.6584 44.2737 0.0000 171.1022 10 P 4.5483 0.0000 0.0000 61.1037 32.1834 174.3718 11 P 4.5182 0.0000 0.0000 62.5389 33.2863 177.7000 12 G 3.8528 8.4592 114.5654 45.5502 0.0000 175.2218 *14 P 4.1216 0.0000 0.0000 61.6567 32.5134 176.1693 15 G 3.8492 8.3341 110.1929 44.2635 0.0000 171.3126 16 P 4.5006 0.0000 0.0000 61.1647 32.0720 174.3787 17 P 4.2302 0.0000 0.0000 62.7842 31.6224 176.8889 18 G 3.8785 8.2996 110.2790 44.2508 0.0000 171.2896 19 P 4.4973 0.0000 0.0000 61.3676 32.0273 174.5505 20 P 4.3039 0.0000 0.0000 62.5632 31.7225 176.8995 21 G 3.8798 8.2726 110.5442 44.1919 0.0000 171.2218 22 P 4.5826 0.0000 0.0000 60.9026 32.3544 174.2819 23 P 4.2956 0.0000 0.0000 62.6083 31.6522 176.9766 24 G 3.9133 8.2568 110.3050 44.1371 0.0000 172.0472 25 P 4.4040 0.0000 0.0000 62.9358 31.5593 176.1702 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 G 8.34 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 0.00 0.00 0.00 4 P 0.00 4.37 0.00 2.27 2.07 0.00 3.78 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 1.98 2.05 0.00 5 P 0.00 4.32 0.00 2.06 2.03 0.00 3.67 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 2.03 2.08 0.00 6 G 8.29 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 0.00 0.00 0.00 7 P 0.00 4.49 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 8 P 0.00 4.28 0.00 2.06 2.03 0.00 3.68 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 2.03 2.09 0.00 9 G 8.30 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.55 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 11 P 0.00 4.52 0.00 2.06 2.03 0.00 3.67 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 2.02 2.08 0.00 12 G 8.46 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 *14 P 0.00 4.12 0.00 2.08 2.03 0.00 3.68 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 1.92 2.09 0.00 15 G 8.33 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.50 0.00 2.19 2.07 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 17 P 0.00 4.23 0.00 2.06 2.05 0.00 3.68 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 2.03 2.11 0.00 18 G 8.30 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 0.00 0.00 0.00 19 P 0.00 4.50 0.00 2.19 2.06 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 20 P 0.00 4.30 0.00 2.06 2.03 0.00 3.67 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 2.03 2.09 0.00 21 G 8.27 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 0.00 0.00 0.00 22 P 0.00 4.58 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 23 P 0.00 4.30 0.00 2.06 2.03 0.00 3.67 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 2.03 2.09 0.00 24 G 8.26 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 0.00 0.00 0.00 25 P 0.00 4.40 0.00 2.19 2.04 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.