NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8350 8.3549 109.7357 45.3133 0.0000 173.2062 2 K 4.2455 8.3233 119.0351 52.3729 33.0531 174.8392 3 K 4.2904 8.2721 124.0357 56.0265 34.9343 177.1415 4 S 4.5937 8.1482 116.2934 57.0032 66.1933 175.1288 5 K 3.8945 8.4041 121.2766 59.4950 31.8664 178.3316 6 A 3.9545 7.9075 120.5056 55.5289 18.3662 179.4658 7 T 3.8146 7.6459 114.2136 66.7551 68.5343 176.6933 8 K 3.9097 8.2181 121.4511 59.3785 32.1410 178.9753 9 K 3.9718 7.9515 118.7507 59.5015 31.9814 179.4806 10 R 3.9301 8.0740 118.2401 59.3849 29.9667 179.1833 11 L 4.0025 8.2373 118.6500 57.5367 41.5698 179.4001 12 A 3.9695 8.0381 120.8693 55.0186 18.2631 179.5603 13 K 3.8883 8.1162 118.1098 59.7564 32.0809 178.9522 14 L 3.9957 7.8515 118.0150 57.8649 41.7792 178.7542 15 D 4.4690 8.2818 118.1840 57.2628 41.0842 177.8408 16 N 4.3542 8.2317 117.6733 56.7334 38.8208 176.7162 17 Q 4.2229 8.2861 118.0862 57.7860 28.7513 176.8660 18 N 4.7853 7.5002 117.3880 52.8496 39.1236 174.4990 19 S 4.5485 7.2868 113.8999 57.0545 64.7018 173.3427 20 R 4.3141 8.0104 120.5131 54.6010 31.0226 175.8081 21 V 3.5993 8.0999 122.2512 61.8419 32.0078 174.1564 22 P 4.3164 0.0000 0.0000 63.0034 31.8742 176.7845 23 A 3.9584 8.9558 122.9141 55.3654 18.2953 180.0246 24 W 4.3006 8.4949 114.5726 60.0323 27.8526 178.4412 25 V 2.8507 6.6536 118.3630 65.2572 30.7240 178.0706 26 M 3.9630 7.7894 118.8950 58.3098 31.7075 178.6326 27 L 4.0179 7.7744 118.6945 57.6509 41.7154 179.2697 28 K 4.1326 8.1904 118.5482 58.3805 32.2200 177.8313 29 T 4.4170 7.2689 107.0441 60.3336 69.3772 173.5638 30 D 4.3009 8.4366 120.0374 55.3126 39.2324 170.3812 31 E 3.7662 7.9506 122.9160 55.7753 30.1602 174.6102 *35 R 3.8369 8.2983 120.0962 56.0440 31.3277 174.6914 36 N 4.6517 8.2417 121.2876 52.0939 38.9419 174.4223 37 H 4.5865 8.5110 122.2030 57.0588 29.0729 176.4282 38 K 4.5545 8.0239 118.5845 55.9291 32.2101 176.4910 39 R 3.9863 7.4403 117.8630 56.2765 30.2615 176.3589 40 R 4.4628 8.3500 122.0156 54.6638 32.5589 173.8209 41 H 4.7152 8.6133 125.4911 54.6889 30.9832 175.8992 42 W 4.2236 8.4816 122.8964 59.4403 28.3532 177.5098 43 R 3.7425 6.1468 117.8479 58.6546 29.6612 177.6460 44 R 3.9202 7.7146 114.8603 58.1676 30.2667 176.1915 45 N 4.9248 7.7795 114.0908 51.3412 40.9823 173.3016 46 D 4.7496 8.1753 117.7098 52.7931 43.9628 175.2382 47 T 4.3241 8.3545 116.4012 60.7725 70.5895 173.0741 48 D 4.6309 8.2126 121.7262 53.7024 42.6272 176.7994 49 E 4.1660 8.6661 118.4119 57.0292 28.8653 174.9635 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 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.25 0.00 1.80 1.75 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 K 8.27 4.29 0.00 1.86 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 4 S 8.15 4.59 0.00 4.06 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 8.40 3.89 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.91 3.95 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 7.65 3.81 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 1.26 0.00 0.00 8 K 8.22 3.91 0.00 1.91 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 7.95 3.97 0.00 2.06 1.84 0.00 1.73 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 1.71 7.81 10 R 8.07 3.93 0.00 2.05 1.99 0.00 3.35 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 1.66 1.68 0.00 11 L 8.24 4.00 0.00 1.68 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.04 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 8.12 3.89 0.00 1.85 1.98 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 14 L 7.85 4.00 0.00 1.87 1.74 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.28 4.47 0.00 2.80 2.87 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 16 N 8.23 4.35 0.00 2.86 2.96 0.00 0.00 7.22 6.00 0.00 0.00 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 8.29 4.22 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.09 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 18 N 7.50 4.79 0.00 2.99 2.89 0.00 0.00 7.14 8.47 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 19 S 7.29 4.55 0.00 4.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.31 0.00 1.79 1.86 0.00 3.23 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 21 V 8.10 3.60 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.86 0.00 0.00 22 P 0.00 4.32 0.00 2.36 2.39 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.11 0.00 23 A 8.96 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.30 0.00 3.68 3.38 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 25 V 6.65 2.85 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 -0.65 0.00 0.00 26 M 7.79 3.96 0.00 2.03 2.18 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 2.82 0.00 27 L 7.77 4.02 0.00 1.90 1.76 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.19 4.13 0.00 2.01 1.79 0.00 2.19 0.00 0.00 1.95 0.00 0.00 3.19 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.54 7.81 29 T 7.27 4.42 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 1.19 0.00 0.00 30 D 8.44 4.30 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 3.77 0.00 2.13 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 0.00 2.20 2.25 0.00 *35 R 8.30 3.84 0.00 1.73 1.64 0.00 3.20 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 N 8.24 4.65 0.00 2.64 2.66 0.00 0.00 7.23 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 8.51 4.59 0.00 3.16 3.34 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.02 4.55 0.00 1.87 1.80 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.40 7.81 39 R 7.44 3.99 0.00 1.85 1.88 0.00 3.14 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 40 R 8.35 4.46 0.00 1.72 1.80 0.00 3.26 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 41 H 8.61 4.72 0.00 3.15 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.48 4.22 0.00 3.50 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 6.15 3.74 0.00 0.67 1.23 0.00 2.43 0.00 0.00 2.87 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.22 0.00 44 R 7.71 3.92 0.00 1.76 1.91 0.00 3.32 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 45 N 7.78 4.92 0.00 2.93 2.75 0.00 0.00 6.70 7.87 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 46 D 8.18 4.75 0.00 2.58 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 4.32 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 1.25 0.00 0.00 48 D 8.21 4.63 0.00 2.69 2.68 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 49 E 8.67 4.17 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.