NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8795 8.3549 109.7366 45.3208 0.0000 172.8869 2 K 4.2920 8.3806 118.5587 52.4596 33.6406 174.7760 3 K 4.4254 8.2989 123.8621 55.5797 35.4322 176.7612 4 S 4.5703 8.1036 115.9866 57.1433 66.2190 175.0079 5 K 3.9156 8.4193 121.1241 59.5057 31.8565 178.4013 6 A 3.9863 7.8973 120.5849 55.4249 18.3628 179.4306 7 T 3.8089 7.7390 113.8981 66.8289 68.5810 176.6489 8 K 3.9116 8.0121 121.2857 59.4583 32.1286 178.9901 9 K 4.0132 7.8726 118.3691 59.4696 32.0047 179.5893 10 R 3.9598 8.1168 118.3706 59.1721 29.9311 179.1421 11 L 3.9949 8.3557 119.0032 57.5513 41.6195 179.2124 12 A 3.9710 8.0689 120.7428 55.1227 18.3591 179.4378 13 K 3.8280 8.0919 117.8874 59.8292 32.0431 178.7974 14 L 4.1952 7.7508 117.6873 57.9991 41.6177 178.7538 15 D 4.4674 8.3292 117.9918 57.2496 41.1677 177.9007 16 N 4.3523 8.1833 117.6932 56.6755 38.8622 176.8010 17 Q 4.2174 8.4744 118.0455 57.8239 28.7028 176.8308 18 N 4.8267 7.4191 117.9579 52.7597 39.4332 174.3780 19 S 4.6378 7.1807 113.0985 56.1756 65.0848 173.4444 20 R 4.1965 8.0211 120.6956 54.9555 30.7772 175.8996 21 V 3.5515 8.0563 122.2475 61.7529 31.7822 174.1384 22 P 4.1837 0.0000 0.0000 62.9651 31.8883 176.6841 23 A 3.9538 8.8835 122.5070 55.4480 18.2349 180.2082 24 W 4.2749 8.2799 114.4592 59.8569 28.1130 178.3949 25 V 3.4200 6.5851 118.8441 65.8474 30.6695 177.9174 26 M 4.0230 7.7840 118.2739 58.1674 31.7423 178.7919 27 L 3.9830 7.7079 118.6180 57.7607 41.8722 179.2353 28 K 4.1059 8.6178 118.5148 58.6211 32.0954 177.1941 29 T 4.4581 7.5103 106.5562 60.3864 69.0591 173.4794 30 D 4.3066 8.9030 120.0243 55.4596 39.1769 171.1241 31 R 3.9940 7.9424 121.7907 55.8337 30.8004 176.5457 *35 R 3.8901 8.2458 119.3719 56.1218 31.3341 175.2365 36 N 4.5950 8.1436 120.7983 52.3159 38.1429 174.3938 37 H 4.4698 8.3571 118.6093 56.1888 28.3118 176.0087 38 K 4.5926 8.0211 117.8437 56.1674 33.1196 177.3165 39 R 4.0417 8.1548 119.2475 56.0092 28.7486 175.5230 40 R 4.3984 8.2461 123.3329 54.5990 31.0753 175.1025 41 H 4.7337 8.5724 125.8795 54.5472 30.8581 175.7259 42 W 4.2497 8.8389 123.8132 59.2474 28.0648 177.0625 43 R 3.7638 6.1918 117.3781 58.1276 29.8607 177.6255 44 R 3.9341 7.5943 114.2983 57.8468 30.3250 175.8262 45 N 4.9784 7.9605 114.8305 51.2921 41.2363 173.1826 46 D 4.6954 8.1981 117.4586 53.0742 44.1242 174.5989 47 T 4.4701 8.2357 115.9378 59.9046 70.7788 173.7072 48 D 4.5127 8.2429 122.3672 54.6560 41.7837 176.6690 49 E 4.1156 8.6128 118.4599 57.2563 29.3578 174.7582 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 3.88 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 0.00 0.00 0.00 2 K 8.38 4.29 0.00 1.80 1.73 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 K 8.30 4.43 0.00 1.85 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.41 7.81 4 S 8.10 4.57 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 8.42 3.92 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 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 7 T 7.74 3.81 4.32 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 1.21 0.00 0.00 8 K 8.01 3.91 0.00 1.98 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 9 K 7.87 4.01 0.00 2.05 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 1.77 7.81 10 R 8.12 3.96 0.00 2.05 1.98 0.00 3.38 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 1.67 0.00 11 L 8.36 3.99 0.00 1.81 1.72 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.07 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 8.09 3.83 0.00 1.85 2.01 0.00 1.65 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 4.20 0.00 1.86 1.75 0.94 0.91 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 8.33 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 8.18 4.35 0.00 2.86 2.96 0.00 0.00 7.19 6.40 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 17 Q 8.47 4.22 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.22 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 18 N 7.42 4.83 0.00 2.94 2.98 0.00 0.00 7.09 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 19 S 7.18 4.64 0.00 4.03 3.92 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 20 R 8.02 4.20 0.00 1.78 1.83 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 1.54 1.56 0.00 21 V 8.06 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 0.67 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.18 0.00 1.62 2.15 0.00 3.52 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.74 0.00 23 A 8.88 3.95 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 8.28 4.27 0.00 3.63 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 6.59 3.42 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 -0.49 0.00 0.00 26 M 7.78 4.02 0.00 2.08 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 2.63 0.00 27 L 7.71 3.98 0.00 1.93 1.76 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.62 4.11 0.00 1.99 1.98 0.00 2.11 0.00 0.00 2.02 0.00 0.00 3.18 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.57 7.81 29 T 7.51 4.46 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 8.90 4.31 0.00 2.81 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 R 7.94 3.99 0.00 1.96 1.98 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 *35 R 8.25 3.89 0.00 1.65 1.72 0.00 3.23 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 36 N 8.14 4.59 0.00 2.65 2.67 0.00 0.00 7.22 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 8.36 4.47 0.00 3.18 3.28 0.00 5.71 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 38 K 8.02 4.59 0.00 1.85 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.39 7.81 39 R 8.15 4.04 0.00 1.80 1.93 0.00 3.17 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 40 R 8.25 4.40 0.00 1.78 1.87 0.00 3.25 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 41 H 8.57 4.73 0.00 3.17 3.05 0.00 5.94 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.84 4.25 0.00 3.54 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 6.19 3.76 0.00 0.67 1.15 0.00 2.36 0.00 0.00 2.85 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.13 0.00 44 R 7.59 3.93 0.00 1.78 1.91 0.00 3.31 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 1.51 1.50 0.00 45 N 7.96 4.98 0.00 2.91 2.74 0.00 0.00 6.65 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 46 D 8.20 4.70 0.00 2.56 2.47 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 0.00 47 T 8.24 4.47 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 8.24 4.51 0.00 2.70 2.69 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 0.00 0.00 0.00 0.00 49 E 8.61 4.12 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 2.21 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.