NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9070 8.3549 109.7363 45.1879 0.0000 173.1049 2 K 4.1812 8.5041 122.6170 52.9893 33.1372 174.6570 3 K 4.5434 8.2200 123.3593 54.9691 35.6666 176.6485 4 S 4.4847 8.2296 116.9990 57.3961 65.6546 175.2333 5 K 3.9079 8.4443 121.2476 59.4589 31.8708 178.2191 6 A 3.9385 7.9450 120.4956 55.7000 18.3583 179.2868 7 T 3.8440 7.6003 114.2406 66.9280 68.4811 176.6727 8 K 3.9433 8.1061 121.2070 59.4471 32.1429 179.0391 9 K 3.9450 8.5707 119.0839 59.3823 31.8333 179.5832 10 R 3.9266 8.3544 118.7931 59.3194 30.2265 178.6866 11 L 3.9516 8.1126 118.5540 58.3217 41.5986 178.9525 12 A 3.9414 8.2439 120.3547 55.0881 18.1255 179.1491 13 K 3.7579 8.0603 116.4144 59.8218 32.1804 178.9307 14 L 3.9447 7.8014 117.4017 58.0196 41.7935 179.0489 15 D 4.4412 8.1516 117.5721 57.6266 41.1056 178.0697 16 N 4.3915 8.0314 115.3578 56.3886 38.7306 177.1448 17 Q 4.1660 8.4297 120.0392 58.6451 28.5871 177.6539 18 N 4.4733 7.7498 114.1980 54.2409 39.0784 174.6941 19 S 4.4301 7.5307 115.4888 58.1933 63.9209 173.4933 20 R 4.2034 7.9906 121.9711 55.0815 30.8643 175.7047 21 V 3.6452 7.9744 121.1780 61.1538 31.7476 173.8917 22 P 4.0143 0.0000 0.0000 63.2121 31.5106 176.7826 23 A 3.9391 8.8307 124.0533 55.3591 18.2083 179.8154 24 W 4.3027 8.0590 114.2848 59.5150 27.7697 178.4985 25 V 3.6559 7.3255 119.4461 65.4065 30.6791 178.0410 26 M 3.9680 7.7422 118.8450 58.3566 31.9543 178.4875 27 L 4.0143 7.8875 118.5216 57.7466 41.7983 179.1274 28 K 4.3401 8.7417 117.3154 58.1912 32.2217 176.8020 29 T 4.4765 6.9357 106.2398 60.7748 70.4919 173.2204 30 D 4.2391 8.4710 121.1766 56.0928 38.4228 170.7259 31 R 3.3588 8.1796 121.6839 55.7180 31.1196 176.8743 *35 R 3.8601 8.3592 120.5732 55.9573 30.1303 173.8833 36 N 4.4861 8.4343 124.3200 53.3319 39.6930 174.2600 37 H 4.8359 8.6026 121.1771 55.8130 29.1065 175.2736 38 K 4.5527 7.8141 117.3193 55.8757 33.0995 176.0929 39 R 3.8784 8.1916 118.4897 56.8264 29.6718 176.1888 40 R 4.6259 8.0051 122.0101 54.7272 32.4888 174.6685 41 H 5.0579 8.1855 119.6546 53.6416 33.1769 174.1326 42 W 4.1369 8.7125 122.9003 59.7972 28.2133 177.6006 43 R 3.6702 5.9893 117.9787 58.4691 29.6619 177.5602 44 R 3.8766 7.8863 115.2322 58.4875 30.2003 176.3654 45 N 4.8846 7.6502 114.1137 51.5757 40.8667 173.3232 46 D 4.7761 8.2089 117.5156 53.3403 44.8404 174.6311 47 T 4.5343 8.3044 120.2268 61.9946 68.0577 173.2559 48 D 4.8802 8.3403 121.0975 52.5620 44.1458 175.7210 49 E 4.1188 8.6539 118.2941 57.2245 29.4485 174.8030 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 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.18 0.00 1.83 1.75 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.43 7.81 3 K 8.22 4.54 0.00 1.84 1.78 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.39 7.81 4 S 8.23 4.48 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 8.44 3.91 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 A 7.94 3.94 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 7.60 3.84 4.47 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 1.21 0.00 0.00 8 K 8.11 3.94 0.00 1.96 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 8.57 3.94 0.00 1.99 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.65 7.81 10 R 8.35 3.93 0.00 2.00 1.97 0.00 3.28 0.00 0.00 3.17 7.54 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 8.11 3.95 0.00 1.68 1.75 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.24 3.94 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 8.06 3.76 0.00 1.78 2.01 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 14 L 7.80 3.94 0.00 1.86 1.76 0.93 0.99 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 15 D 8.15 4.44 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 8.03 4.39 0.00 2.84 2.89 0.00 0.00 7.18 7.13 0.00 0.00 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 8.43 4.17 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 18 N 7.75 4.47 0.00 2.98 2.86 0.00 0.00 7.29 7.77 0.00 0.00 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 7.53 4.43 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.20 0.00 1.74 1.79 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 1.55 0.00 21 V 7.97 3.65 1.95 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 0.67 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.01 0.00 1.48 2.03 0.00 3.49 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.56 0.00 23 A 8.83 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.30 0.00 3.55 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 7.33 3.66 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 0.82 0.00 0.00 -0.47 0.00 0.00 26 M 7.74 3.97 0.00 2.08 2.20 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 2.58 2.75 0.00 27 L 7.89 4.01 0.00 1.96 1.79 1.00 0.61 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 8.74 4.34 0.00 2.09 2.10 0.00 1.95 0.00 0.00 2.18 0.00 0.00 3.19 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.55 7.81 29 T 6.94 4.48 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 30 D 8.47 4.24 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.36 0.00 1.94 1.91 0.00 3.19 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 *35 R 8.36 3.86 0.00 1.75 1.85 0.00 3.23 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.57 0.00 36 N 8.43 4.49 0.00 2.62 2.63 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 8.60 4.84 0.00 3.15 3.30 0.00 5.89 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.81 4.55 0.00 1.69 1.75 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.43 7.81 39 R 8.19 3.88 0.00 1.79 1.91 0.00 3.16 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 40 R 8.01 4.63 0.00 1.82 2.05 0.00 3.23 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 41 H 8.19 5.06 0.00 3.13 2.99 0.00 5.92 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.71 4.14 0.00 3.50 3.08 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 0.00 0.00 0.00 43 R 5.99 3.67 0.00 0.67 1.25 0.00 2.47 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.12 0.00 44 R 7.89 3.88 0.00 1.76 1.90 0.00 3.30 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 45 N 7.65 4.88 0.00 3.02 2.77 0.00 0.00 6.72 8.04 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 46 D 8.21 4.78 0.00 2.57 2.48 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 0.00 47 T 8.30 4.53 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 8.34 4.88 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.12 0.00 2.13 1.95 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 0.00 2.21 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.