NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8159 8.3549 109.7358 45.2734 0.0000 173.4402 2 K 4.2064 8.3530 120.7324 52.3756 32.5218 174.7695 3 K 4.2582 8.2303 124.3151 55.9929 34.8525 177.4563 4 S 4.5266 8.2621 117.1624 57.3053 65.9103 175.1195 5 K 3.9430 8.4474 121.3262 59.4641 31.8277 178.4339 6 A 3.9951 7.8957 120.6840 55.4324 18.3860 179.4803 7 T 3.8222 7.7529 113.8382 66.6993 68.4197 176.6968 8 K 3.9320 8.1547 121.4610 59.3581 32.1224 179.0468 9 K 3.9633 7.8466 118.2872 59.4730 31.9144 179.4955 10 R 3.9237 7.9913 118.2611 59.2968 29.9815 179.0678 11 L 3.9578 8.2782 118.8068 57.6458 41.6290 179.2076 12 A 3.9749 8.1966 120.9017 55.1802 18.3265 179.4308 13 K 3.8191 8.3510 118.1348 59.8668 32.4203 178.6515 14 L 4.1695 8.1833 119.4003 58.0958 41.2947 179.2032 15 D 4.3355 8.0059 116.9412 57.2985 41.2661 177.5052 16 N 4.4565 7.9342 116.4795 56.8845 39.3040 176.6890 17 Q 4.1837 8.7271 119.6100 58.5093 28.4068 177.3988 18 N 4.5157 7.6920 116.3160 53.3238 39.4016 174.4955 19 S 4.6130 7.5394 113.9957 56.0246 65.2813 173.0746 20 R 4.2251 7.9975 120.7586 54.8238 30.9230 175.4662 21 V 3.6893 7.9862 121.0789 61.1738 31.8070 173.8826 22 P 4.1815 0.0000 0.0000 62.9854 31.5593 176.8375 23 A 3.9801 8.7778 122.2069 55.3353 18.2330 180.2459 24 W 4.2644 8.1418 114.5474 59.6319 28.1175 178.6123 25 V 3.4991 6.7436 118.7489 65.7014 30.7576 177.9340 26 M 4.0173 7.6704 118.4907 58.2195 31.7136 178.7465 27 L 3.9672 7.8130 118.5360 57.7545 41.8843 179.1856 28 K 4.1018 8.6001 118.3808 58.6139 32.0044 177.1089 29 T 4.5404 7.2410 107.3150 60.5382 68.9989 173.2757 30 D 4.3145 9.1302 119.5485 55.5213 39.1787 170.4653 31 R 3.5612 8.2318 123.3811 55.3856 30.8062 176.2981 *35 R 3.7530 8.3451 120.2670 56.1480 30.4040 174.4530 36 N 4.5446 8.2756 124.6997 52.4970 38.2126 174.5423 37 H 4.6497 8.4723 121.3856 56.7168 28.8194 176.2791 38 K 4.5887 8.3747 119.2703 55.9389 32.5368 176.2895 39 R 4.0541 7.5722 118.0554 56.0658 30.2285 176.2312 40 R 4.5614 8.4861 122.8708 54.5500 32.7579 173.8203 41 H 4.8780 8.4862 124.5567 53.8961 31.4397 175.5313 42 W 4.1948 8.5100 123.3189 59.4195 28.0117 177.2369 43 R 3.8369 5.8443 117.7682 58.3519 29.7982 177.5859 44 R 3.8828 7.7528 115.7619 58.2464 30.2569 176.1452 45 N 4.9279 7.8041 114.1469 51.3973 41.1443 173.3490 46 D 4.5419 8.1530 117.9739 53.2396 43.5309 175.0706 47 T 4.2617 8.3762 117.0805 60.9656 70.1367 173.2850 48 D 4.6057 8.2083 121.9912 54.1257 42.2852 176.8223 49 E 4.1330 8.6357 118.4300 57.0283 28.9416 174.8870 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 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.21 0.00 1.82 1.77 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.43 7.81 3 K 8.23 4.26 0.00 1.86 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.42 7.81 4 S 8.26 4.53 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.94 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 1.51 7.81 6 A 7.90 4.00 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 7.75 3.82 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 8 K 8.15 3.93 0.00 1.94 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.85 3.96 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.75 7.81 10 R 7.99 3.92 0.00 2.04 1.98 0.00 3.39 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 L 8.28 3.96 0.00 1.80 1.72 0.92 0.68 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 12 A 8.20 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 3.82 0.00 1.81 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 8.18 4.17 0.00 1.92 1.74 0.94 1.14 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 8.01 4.34 0.00 2.66 2.90 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 0.00 0.00 0.00 0.00 16 N 7.93 4.46 0.00 2.78 2.97 0.00 0.00 7.30 6.55 0.00 0.00 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 8.73 4.18 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 18 N 7.69 4.52 0.00 2.98 2.97 0.00 0.00 7.11 6.95 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 19 S 7.54 4.61 0.00 4.03 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 8.00 4.23 0.00 1.77 1.85 0.00 3.21 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 21 V 7.99 3.69 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.87 0.00 0.00 22 P 0.00 4.18 0.00 1.59 2.13 0.00 3.51 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.63 0.00 23 A 8.78 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.26 0.00 3.62 3.33 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 0.00 0.00 0.00 0.00 25 V 6.74 3.50 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 0.78 0.00 0.00 -0.39 0.00 0.00 26 M 7.67 4.02 0.00 2.01 2.23 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 2.78 0.00 27 L 7.81 3.97 0.00 1.92 1.76 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.60 4.10 0.00 2.01 2.04 0.00 2.12 0.00 0.00 2.05 0.00 0.00 3.19 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.59 7.81 29 T 7.24 4.54 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 1.27 0.00 0.00 30 D 9.13 4.31 0.00 2.76 2.75 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 0.00 0.00 0.00 0.00 31 R 8.23 3.56 0.00 1.90 1.91 0.00 3.19 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 *35 R 8.35 3.75 0.00 1.72 1.69 0.00 3.22 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 36 N 8.28 4.54 0.00 2.69 2.66 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 8.47 4.65 0.00 3.16 3.32 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.37 4.59 0.00 1.84 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 39 R 7.57 4.05 0.00 1.84 1.88 0.00 3.11 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 40 R 8.49 4.56 0.00 1.73 1.79 0.00 3.25 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 41 H 8.49 4.88 0.00 3.14 3.00 0.00 5.93 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.51 4.19 0.00 3.50 3.14 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 43 R 5.84 3.84 0.00 0.67 1.23 0.00 2.46 0.00 0.00 2.89 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.30 0.00 44 R 7.75 3.88 0.00 1.74 1.90 0.00 3.30 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 45 N 7.80 4.93 0.00 2.91 2.75 0.00 0.00 6.69 7.65 0.00 0.00 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 8.15 4.54 0.00 2.58 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 8.38 4.26 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 8.21 4.61 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 2.14 2.08 0.00 0.00 0.00 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.