NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8290 8.3549 109.7359 45.2521 0.0000 173.3340 2 K 4.2218 8.3839 120.8858 52.4029 32.7927 174.8873 3 K 4.3106 8.2714 123.9687 56.0462 34.9409 176.8424 4 S 4.6374 8.0946 115.8195 56.6511 66.3487 175.1167 5 K 3.8296 8.4155 121.3659 59.6225 31.7531 178.1420 6 A 3.9756 7.9530 120.2919 55.5836 18.3534 179.2607 7 T 3.8004 7.5152 113.7477 66.9173 68.5350 176.5306 8 K 3.9452 8.2909 121.3901 59.3993 32.1468 178.9388 9 K 3.9548 8.1151 118.6844 59.4573 31.9828 179.3549 10 R 3.9204 8.2006 118.4899 59.4950 30.0799 179.0244 11 L 3.9762 8.3591 118.7174 57.8272 41.6303 179.5460 12 A 3.9990 8.1326 120.7188 54.9947 18.2479 179.6151 13 K 3.8939 8.2345 118.1647 59.6559 32.0737 178.9406 14 L 4.1505 7.8645 118.2487 57.9816 41.8284 178.7749 15 D 4.4666 8.1246 117.9772 57.2241 41.0810 177.8448 16 N 4.3379 8.0848 117.5993 56.7835 38.8237 176.8835 17 Q 4.1779 8.2833 118.3134 58.1295 28.7267 177.1514 18 N 4.7503 7.5306 116.6898 53.0423 39.0307 174.4965 19 S 4.5646 7.2939 113.9265 56.9305 64.8394 173.2903 20 R 4.3136 7.9837 120.4051 54.5332 31.0488 175.8006 21 V 3.5397 8.0814 122.3790 61.8460 31.8862 174.1368 22 P 4.1696 0.0000 0.0000 63.0166 31.7958 176.5291 23 A 3.9424 9.0081 124.2171 55.4598 18.1448 179.9757 24 W 4.3150 8.3634 114.2921 59.8828 28.0911 178.4391 25 V 3.0664 6.9363 119.0172 65.4306 30.7218 177.9563 26 M 3.9682 7.7439 118.7215 58.4026 31.8838 178.6775 27 L 4.0174 7.8407 118.5106 57.7265 41.7251 179.3518 28 K 4.2181 8.3539 118.4158 58.4057 32.2120 177.7918 29 T 4.4529 7.3701 106.9741 60.3146 69.4680 173.4364 30 D 4.2943 8.5776 119.4772 55.4137 39.2430 170.0227 31 E 3.6167 7.9827 123.6350 55.5979 30.3119 174.7793 *35 R 3.8316 8.3123 120.0081 56.0539 31.0792 174.7190 36 N 4.6239 8.2372 121.3794 52.1375 38.8062 174.3358 37 H 4.6329 8.4949 121.5505 56.8151 28.9404 176.3429 38 K 4.5751 8.1215 118.6828 55.9298 32.3520 176.3956 39 R 3.9973 7.4985 117.9447 56.2462 30.2469 176.3057 40 R 4.4935 8.3924 122.2803 54.6320 32.6834 173.8410 41 H 4.7693 8.5973 125.2116 54.5528 31.0441 175.8836 42 W 4.2164 8.4099 122.7110 59.2180 28.3936 177.3876 43 R 3.7975 6.2009 117.8519 58.4260 29.7829 177.6347 44 R 3.9159 7.7080 114.8300 58.1644 30.2593 176.1082 45 N 4.9107 7.7766 114.1496 51.3852 41.0032 173.3937 46 D 4.6255 8.1442 117.7674 52.9808 43.8044 175.1496 47 T 4.2737 8.3999 116.8756 61.0089 70.3288 172.9766 48 D 4.6300 8.2120 121.7136 53.7271 42.6567 176.8061 49 E 4.1554 8.6645 118.4187 57.0702 28.8799 174.9069 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 8.38 4.22 0.00 1.82 1.76 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 1.35 1.43 7.81 3 K 8.27 4.31 0.00 1.86 1.80 0.00 1.55 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 1.37 1.41 7.81 4 S 8.09 4.64 0.00 4.06 4.04 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 0.00 0.00 0.00 5 K 8.42 3.83 0.00 1.84 1.85 0.00 1.73 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 7.95 3.98 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 7.52 3.80 4.48 0.00 0.00 0.00 0.00 0.00 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 8.29 3.95 0.00 1.90 2.01 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 8.12 3.95 0.00 2.02 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 1.68 7.81 10 R 8.20 3.92 0.00 2.04 1.99 0.00 3.37 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 1.81 0.00 11 L 8.36 3.98 0.00 1.65 1.73 0.92 0.76 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 8.13 4.00 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 8.23 3.89 0.00 1.85 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 7.86 4.15 0.00 1.88 1.75 0.94 0.97 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 15 D 8.12 4.47 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.34 0.00 2.87 2.97 0.00 0.00 7.21 6.68 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 17 Q 8.28 4.18 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.15 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 18 N 7.53 4.75 0.00 2.97 2.91 0.00 0.00 7.14 8.27 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 19 S 7.29 4.56 0.00 4.00 3.88 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 20 R 7.98 4.31 0.00 1.77 1.84 0.00 3.22 0.00 0.00 3.13 7.38 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 8.08 3.54 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 0.84 0.00 0.00 22 P 0.00 4.17 0.00 1.90 2.22 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.82 0.00 23 A 9.01 3.94 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 8.36 4.32 0.00 3.59 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 6.94 3.07 1.67 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 0.70 0.00 0.00 -0.70 0.00 0.00 26 M 7.74 3.97 0.00 2.05 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 2.69 0.00 27 L 7.84 4.02 0.00 1.89 1.77 0.99 0.60 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 8.35 4.22 0.00 2.07 2.02 0.00 2.18 0.00 0.00 2.12 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.57 7.81 29 T 7.37 4.45 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 1.23 0.00 0.00 30 D 8.58 4.29 0.00 2.82 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 7.98 3.62 0.00 2.12 1.94 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 2.22 2.25 0.00 *35 R 8.31 3.83 0.00 1.72 1.65 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 4.62 0.00 2.63 2.65 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 8.49 4.63 0.00 3.16 3.32 0.00 5.91 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.12 4.58 0.00 1.85 1.79 0.00 1.71 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 1.38 1.38 7.81 39 R 7.50 4.00 0.00 1.84 1.88 0.00 3.13 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 1.66 1.72 0.00 40 R 8.39 4.49 0.00 1.73 1.80 0.00 3.25 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 1.53 1.59 0.00 41 H 8.60 4.77 0.00 3.16 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 8.41 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 6.20 3.80 0.00 0.67 1.27 0.00 2.46 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 1.25 1.19 0.00 44 R 7.71 3.92 0.00 1.76 1.91 0.00 3.32 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 45 N 7.78 4.91 0.00 2.92 2.75 0.00 0.00 6.69 7.45 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 46 D 8.14 4.63 0.00 2.57 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 8.40 4.27 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 4.63 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 8.66 4.16 0.00 2.11 2.14 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 2.17 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.