NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8362 8.2133 109.7200 45.5124 0.0000 174.5674 3 K 3.9486 8.4969 120.4062 57.1182 31.8141 175.7417 4 G 3.6117 7.5770 107.3186 45.4637 0.0000 173.1071 5 D 4.3901 7.9727 121.0347 53.8754 41.1808 176.9996 6 R 4.0067 8.6098 126.8120 59.4083 30.3489 177.7436 7 R 3.9388 7.5664 115.7409 56.6300 30.2506 175.5650 8 T 4.6229 7.3198 106.4184 59.0543 72.6104 174.4864 9 R 3.9865 8.4368 120.2319 59.4794 30.0822 178.2286 10 R 4.2639 7.9626 117.4419 58.7178 29.4016 178.7235 11 G 4.2774 8.0205 106.0575 46.2585 0.0000 175.5111 12 K 4.3841 7.8347 122.0350 58.9282 32.3279 178.7422 13 I 3.6002 7.3047 118.8956 63.9962 36.8093 178.1633 14 W 4.1600 8.0088 127.9076 60.5424 30.7381 177.7037 15 R 3.8562 7.6015 114.6929 55.6717 29.4895 176.5637 16 G 3.9532 7.8209 106.9080 46.3850 0.0000 173.4563 17 T 4.5266 7.4892 107.3296 59.5310 71.2552 173.0003 18 Y 4.7689 8.2422 120.8071 56.4230 40.9021 176.6112 19 G 4.2175 7.3066 109.4621 46.6234 0.0000 175.0723 20 K 3.9400 8.3920 121.7950 59.7833 32.3450 178.0366 21 Y 4.6034 7.8194 113.1781 57.6511 37.8770 175.9758 22 R 4.5853 7.3563 114.1765 55.3150 32.1782 171.5281 23 P 4.5591 0.0000 0.0000 62.9434 32.9444 178.2842 24 R 4.0944 8.0831 119.2637 55.5607 28.2545 175.8642 25 K 3.4969 7.7568 126.0937 56.2310 33.0830 175.5728 *26 K 4.1330 8.3666 120.4739 54.7814 32.3269 175.3284 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 2 G 8.21 3.84 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 3 K 8.50 3.95 0.00 1.26 1.37 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.34 7.81 4 G 7.58 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 5 D 7.97 4.39 0.00 2.73 2.54 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 R 8.61 4.01 0.00 1.84 2.01 0.00 3.28 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 7 R 7.57 3.94 0.00 1.41 0.95 0.00 3.05 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 8 T 7.32 4.62 4.19 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 1.10 0.00 0.00 9 R 8.44 3.99 0.00 1.99 1.97 0.00 3.26 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 10 R 7.96 4.26 0.00 1.88 1.96 0.00 3.15 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 11 G 8.02 4.28 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 12 K 7.83 4.38 0.00 2.14 1.79 0.00 1.58 0.00 0.00 1.96 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.82 7.81 13 I 7.30 3.60 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.93 0.00 0.00 14 W 8.01 4.16 0.00 3.22 3.24 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 15 R 7.60 3.86 0.00 2.06 1.90 0.00 3.50 0.00 0.00 3.28 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.96 0.00 16 G 7.82 3.95 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 17 T 7.49 4.53 4.25 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 1.26 0.00 0.00 18 Y 8.24 4.77 0.00 2.95 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 19 G 7.31 4.22 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 20 K 8.39 3.94 0.00 1.67 1.60 0.00 1.47 0.00 0.00 1.18 0.00 0.00 2.26 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.77 1.16 7.81 21 Y 7.82 4.60 0.00 3.01 2.95 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 R 7.36 4.59 0.00 1.90 1.83 0.00 2.96 0.00 0.00 2.97 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 23 P 0.00 4.56 0.00 2.10 2.01 0.00 3.77 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 2.02 2.36 0.00 24 R 8.08 4.09 0.00 1.59 1.64 0.00 3.22 0.00 0.00 2.90 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.66 0.00 25 K 7.76 3.50 0.00 1.84 1.75 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.43 7.81 *26 K 8.37 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.