NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8915 8.3549 109.7361 45.2800 0.0000 172.7890 2 K 4.2790 8.2687 117.6329 52.4486 34.2866 174.6072 3 K 4.3652 8.3667 124.3269 55.5333 35.0781 177.2524 4 S 4.4858 8.2708 117.5330 57.3335 65.6797 175.2179 5 K 3.8838 8.4277 121.1753 59.5339 31.8263 178.3745 6 A 3.9626 7.9007 120.5045 55.5329 18.3687 179.2635 7 T 3.8043 7.8626 114.3166 66.9618 68.4776 176.5641 8 K 3.9489 8.0401 121.1654 59.3816 32.1069 179.0410 9 K 3.9749 8.0478 118.8320 59.5031 32.0013 179.5710 10 R 3.9244 8.3206 118.6791 59.1541 29.9179 179.1205 11 L 3.9759 8.3431 118.9497 57.6866 41.6092 179.2377 12 A 3.9734 8.1846 120.8771 55.0867 18.2103 179.4885 13 K 3.8334 8.2148 118.0143 59.8045 32.0831 178.7324 14 L 4.1339 7.7464 117.6936 58.0612 41.9294 178.8295 15 D 4.4695 8.3381 117.8769 57.3166 41.0840 177.8026 16 N 4.3201 8.2861 117.6547 56.8530 38.7971 176.8409 17 Q 4.1592 8.2299 118.2452 58.2025 28.7453 177.2563 18 N 4.7196 7.6039 116.4759 53.1355 38.9912 174.5880 19 S 4.4830 7.3065 114.0875 57.4644 64.5304 173.2504 20 R 4.3202 7.9459 120.7271 54.3582 31.2418 175.6506 21 V 3.5470 8.0157 121.4253 61.6782 32.0046 173.9745 22 P 4.1389 0.0000 0.0000 62.9961 31.7639 176.6216 23 A 3.9486 8.8900 123.0380 55.4730 18.1121 180.1980 24 W 4.2861 8.2196 114.3519 59.8102 28.0272 178.4077 25 V 3.2251 6.7163 118.6129 65.6435 30.7273 178.0034 26 M 3.9816 7.8352 118.5962 58.2771 31.8752 178.4807 27 L 3.9446 7.8848 118.4034 57.7293 41.7183 179.0743 28 K 3.8619 8.1280 118.9346 59.8636 32.0591 177.5392 29 T 4.2017 8.0487 105.0725 61.1137 69.4407 174.0025 30 D 4.2940 9.0524 121.8209 55.7413 38.8981 170.5683 31 R 3.6287 8.3157 123.5217 55.5019 31.3937 177.0164 *35 R 3.9211 8.3502 119.5045 56.1835 31.2787 175.2858 36 N 4.6299 8.1858 121.8413 51.5104 38.1279 174.1403 37 H 4.2242 8.3159 121.6797 58.1879 29.0638 176.0356 38 K 4.5007 7.5049 116.7107 56.3007 32.3005 176.8356 39 R 4.0689 7.8132 119.4470 56.0972 30.1417 176.3884 40 R 4.6984 8.4290 122.7155 54.4748 33.1368 173.9862 41 H 5.0070 8.2807 121.2038 53.5327 32.6031 174.3602 42 W 4.2254 8.7920 123.6551 59.6754 28.0565 177.4474 43 R 3.6863 5.8400 117.5801 58.5873 29.5937 177.7251 44 R 3.8907 7.7088 114.9389 58.1464 30.2344 175.8831 45 N 4.9600 7.7457 114.2026 51.2892 41.2690 173.1980 46 D 4.5340 8.1813 117.8775 53.2305 43.4062 175.1209 47 T 4.2981 8.3465 117.0380 60.7226 70.1690 173.5784 48 D 4.5631 8.1852 121.7619 54.6962 41.8361 176.7702 49 E 4.1271 8.6420 118.6476 56.9847 28.9701 174.8573 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 G 8.35 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 4.28 0.00 1.78 1.71 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 K 8.37 4.37 0.00 1.85 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.41 7.81 4 S 8.27 4.49 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 3.88 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 A 7.90 3.96 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 7 T 7.86 3.80 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 K 8.04 3.95 0.00 2.00 2.04 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 8.05 3.97 0.00 2.01 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.78 7.81 10 R 8.32 3.92 0.00 2.01 1.98 0.00 3.39 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 11 L 8.34 3.98 0.00 1.82 1.72 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.18 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 3.83 0.00 1.84 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.75 4.13 0.00 1.88 1.75 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.34 4.47 0.00 2.80 2.86 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 0.00 0.00 0.00 16 N 8.29 4.32 0.00 2.84 2.96 0.00 0.00 7.25 6.21 0.00 0.00 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 Q 8.23 4.16 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.07 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 18 N 7.60 4.72 0.00 3.05 2.83 0.00 0.00 7.17 7.33 0.00 0.00 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 S 7.31 4.48 0.00 3.99 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 20 R 7.95 4.32 0.00 1.76 1.83 0.00 3.22 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 21 V 8.02 3.55 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.86 0.00 0.00 22 P 0.00 4.14 0.00 1.60 2.10 0.00 3.52 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.71 0.00 23 A 8.89 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.22 4.29 0.00 3.60 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.72 3.23 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 -0.44 0.00 0.00 26 M 7.84 3.98 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.84 0.00 27 L 7.88 3.94 0.00 1.89 1.77 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.13 3.86 0.00 2.02 2.03 0.00 2.06 0.00 0.00 2.11 0.00 0.00 3.14 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.52 7.81 29 T 8.05 4.20 4.23 0.00 0.00 0.00 0.00 0.00 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 30 D 9.05 4.29 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.32 3.63 0.00 1.90 1.92 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 *35 R 8.35 3.92 0.00 1.71 1.80 0.00 3.21 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 36 N 8.19 4.63 0.00 2.64 2.65 0.00 0.00 7.19 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.32 4.22 0.00 3.17 3.35 0.00 5.76 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.50 4.50 0.00 1.77 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.41 7.81 39 R 7.81 4.07 0.00 1.86 1.88 0.00 3.15 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 40 R 8.43 4.70 0.00 1.74 1.93 0.00 3.20 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.28 5.01 0.00 3.10 2.95 0.00 5.93 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.79 4.23 0.00 3.53 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 43 R 5.84 3.69 0.00 0.67 1.10 0.00 2.54 0.00 0.00 2.89 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.28 0.00 44 R 7.71 3.89 0.00 1.76 1.91 0.00 3.30 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 45 N 7.75 4.96 0.00 2.91 2.74 0.00 0.00 6.68 7.61 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 46 D 8.18 4.53 0.00 2.57 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.35 4.30 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 48 D 8.19 4.56 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 49 E 8.64 4.13 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.