NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2170 8.2985 121.4700 56.2667 31.4572 177.2808 13 A 3.9943 8.1671 119.5622 52.7699 18.0976 176.4382 14 R 3.5978 7.4102 114.9334 59.7479 31.6800 173.8769 15 K 4.1768 8.1499 117.5522 57.5928 33.4872 175.0808 16 L 4.3582 9.2977 128.4542 56.0784 39.7256 175.2627 17 S 4.1184 8.3137 112.8937 61.0987 61.5433 174.5612 18 P 4.2076 0.0000 0.0000 65.5115 31.0030 178.3783 19 V 3.8686 7.9039 115.4312 67.0911 31.4467 177.0542 20 E 4.0386 8.3591 118.3856 58.4323 29.1240 178.7331 21 L 3.9259 8.8586 119.2192 58.4328 42.0206 179.0087 22 E 3.8424 9.4689 119.1566 59.4020 29.2059 178.5590 23 K 3.7568 7.9395 119.0035 59.7948 32.4786 177.6806 24 L 4.0581 8.0107 119.7750 58.6187 41.7704 179.2344 25 V 3.4634 8.1592 118.9070 64.6313 30.9776 177.1520 26 R 4.5878 8.0323 117.2534 55.8583 30.9609 176.5302 27 E 4.5662 8.4417 119.3066 56.8523 34.3385 176.9899 28 K 3.8937 8.7509 120.2525 60.0389 31.7308 178.0716 29 K 3.8441 8.0027 118.7550 58.6401 31.8126 178.7990 30 R 3.6542 7.8898 115.6841 59.7224 28.8630 177.7922 31 E 3.7563 8.3690 119.0787 59.4313 29.6385 178.4679 32 L 4.1543 7.6033 118.8719 59.2391 42.2203 178.5916 33 M 3.7106 8.5277 116.9120 57.0559 32.1777 176.1858 34 E 4.3456 8.1717 120.4559 55.6367 30.5386 174.5272 35 L 4.5050 7.9014 128.0592 55.5407 39.8953 177.1001 36 R 4.6577 8.6845 129.6257 55.6354 30.7466 176.0593 37 F 4.5855 8.0035 119.9195 57.3994 40.0901 172.9547 38 Q 4.0539 8.0741 126.1060 56.9953 29.6705 176.3546 39 A 4.2732 6.5341 122.4587 52.0314 18.6748 178.9360 40 S 4.5992 7.7185 117.5819 62.7705 62.8667 176.1368 41 I 3.9065 7.8576 123.4944 61.1710 37.7360 180.7405 42 G 3.6825 6.5368 110.7860 48.1604 0.0000 175.3136 43 Q 4.6185 8.2488 116.3296 54.8869 29.3287 176.1349 44 L 4.5824 9.8573 118.6964 56.4724 44.5957 177.5618 45 S 4.0134 8.7371 114.3464 62.4062 62.1590 179.8059 46 Q 2.7351 7.5503 115.7992 57.1154 31.7883 174.4358 47 N 5.0899 7.8861 118.0368 54.7267 37.7699 175.5283 48 H 4.7288 9.6630 118.3056 55.7232 31.4027 173.7851 49 K 4.1775 8.6438 125.5766 56.0478 39.6728 177.4230 50 I 3.3091 8.8509 126.6973 63.5811 37.8407 171.1193 51 R 3.9050 8.9494 131.2378 59.5669 29.1498 174.0836 52 D 4.7954 9.5304 127.0011 52.9767 37.4032 176.4915 53 L 3.9388 5.6200 114.3980 56.8925 43.1411 175.8078 54 K 3.9119 8.8276 122.5301 57.5966 29.4523 175.7627 55 R 4.4781 9.1429 116.6718 55.5865 30.7607 174.7249 56 Q 4.4454 7.9239 114.7103 54.3789 29.2719 174.6854 57 I 3.8997 8.1591 123.5723 59.3779 38.8242 174.8667 58 A 3.9477 8.4849 130.3268 52.2319 17.4734 177.1330 59 R 4.0412 8.2911 122.7388 56.8319 28.4482 175.7711 60 L 3.9663 8.1207 125.0314 56.0494 42.6329 176.3708 61 L 3.5139 8.4703 124.3041 56.8408 39.2192 175.4946 *62 T 4.1515 7.9995 115.7343 61.1306 69.1019 176.4339 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 12 E 8.30 4.22 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 13 A 8.17 3.99 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 14 R 7.41 3.60 0.00 1.85 1.98 0.00 3.19 0.00 0.00 3.39 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 15 K 8.15 4.18 0.00 1.92 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.38 7.81 16 L 9.30 4.36 0.00 1.81 2.26 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.31 4.12 0.00 3.95 3.96 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 0.00 0.00 0.00 0.00 18 P 0.00 4.21 0.00 2.19 2.07 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 19 V 7.90 3.87 2.21 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 0.86 0.00 0.00 0.93 0.00 0.00 20 E 8.36 4.04 0.00 2.26 1.88 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 2.33 2.48 0.00 21 L 8.86 3.93 0.00 1.63 1.75 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.47 3.84 0.00 2.42 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 23 K 7.94 3.76 0.00 1.76 2.07 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.53 7.81 24 L 8.01 4.06 0.00 1.81 1.78 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.16 3.46 2.07 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 0.90 0.00 0.00 0.90 0.00 0.00 26 R 8.03 4.59 0.00 1.87 1.96 0.00 3.15 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 27 E 8.44 4.57 0.00 2.12 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 2.20 2.23 0.00 28 K 8.75 3.89 0.00 2.00 1.75 0.00 1.62 0.00 0.00 1.92 0.00 0.00 3.35 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.20 7.81 29 K 8.00 3.84 0.00 1.76 1.70 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.52 7.81 30 R 7.89 3.65 0.00 1.97 2.20 0.00 3.11 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 31 E 8.37 3.76 0.00 2.04 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 2.86 2.76 0.00 32 L 7.60 4.15 0.00 1.20 1.60 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.53 3.71 0.00 1.89 2.12 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 34 E 8.17 4.35 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 35 L 7.90 4.50 0.00 1.81 1.78 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.68 4.66 0.00 2.00 1.98 0.00 3.29 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 37 F 8.00 4.59 0.00 3.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.07 4.05 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.42 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 39 A 6.53 4.27 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.72 4.60 0.00 4.13 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.86 3.91 1.89 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 1.37 1.10 0.92 0.00 0.00 42 G 6.54 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.25 4.62 0.00 2.46 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 44 L 9.86 4.58 0.00 1.63 1.93 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.74 4.01 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.55 2.74 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 47 N 7.89 5.09 0.00 2.94 3.09 0.00 0.00 6.37 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 9.66 4.73 0.00 3.23 3.29 0.00 5.79 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.64 4.18 0.00 2.01 1.28 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.48 7.81 50 I 8.85 3.31 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.92 0.00 0.00 51 R 8.95 3.91 0.00 1.95 2.02 0.00 3.37 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 52 D 9.53 4.80 0.00 2.84 2.88 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 53 L 5.62 3.94 0.00 1.58 1.66 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.83 3.91 0.00 1.94 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.40 7.81 55 R 9.14 4.48 0.00 1.60 1.93 0.00 3.22 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 56 Q 7.92 4.45 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 57 I 8.16 3.90 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 1.35 0.82 0.91 0.00 0.00 58 A 8.48 3.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.29 4.04 0.00 1.76 1.90 0.00 3.30 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 60 L 8.12 3.97 0.00 1.62 1.57 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.47 3.51 0.00 1.83 1.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *62 T 8.00 4.15 4.24 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.