NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9154 8.3549 109.7358 45.2748 0.0000 172.4772 2 K 4.3218 8.3492 117.8977 52.4435 34.3437 174.4049 3 K 4.4248 8.3682 124.1565 55.2946 35.2021 177.0356 4 S 4.4670 8.2740 117.7090 57.5031 65.5675 175.1622 5 K 3.9330 8.4477 121.3909 59.4807 31.8998 178.4288 6 A 3.9975 7.9043 120.6600 55.4611 18.3421 179.4466 7 T 3.8277 7.9342 114.3211 66.6847 68.4178 176.6551 8 K 3.9225 8.0708 121.4610 59.4247 32.1716 178.9910 9 K 3.9581 8.0280 118.7256 59.5643 32.0002 179.5878 10 R 3.9287 8.0780 118.2684 59.2378 29.9905 179.1049 11 L 4.0029 8.3264 118.9509 57.6052 41.5674 179.3620 12 A 3.9823 8.2413 120.9410 55.0259 18.2600 179.5311 13 K 3.8547 8.1926 118.0912 59.7652 32.1674 178.8098 14 L 4.2352 7.9384 120.4968 57.2129 41.2843 179.1175 15 D 4.3080 7.9353 116.9061 57.3093 41.2918 177.4537 16 N 4.4420 8.0360 116.1719 57.0053 38.9541 176.5613 17 Q 4.1500 8.4256 119.5849 58.4687 28.8720 177.3337 18 N 4.5319 7.7861 119.0476 53.1608 39.0449 173.8698 19 S 4.7875 7.3350 112.3134 55.6074 66.4288 173.3487 20 R 3.9905 8.1462 120.3899 55.8590 30.3795 175.8440 21 V 3.7263 8.0984 122.8226 61.2044 31.9809 173.9151 22 P 4.0188 0.0000 0.0000 63.0099 31.6703 176.5642 23 A 3.9353 8.9001 123.3557 55.3503 18.2491 180.1185 24 W 4.2902 8.1394 114.3050 59.5886 28.1468 178.5243 25 V 3.2339 6.7882 119.2673 65.6031 30.6549 177.7055 26 M 3.9264 7.6636 118.6614 58.4292 31.8187 178.3797 27 L 3.9732 7.9040 118.1967 58.0023 41.7390 179.2584 28 K 3.9517 8.0294 118.5432 59.2771 32.1072 177.6957 29 T 4.3602 7.7029 106.7257 60.1480 70.1953 173.9747 30 D 4.2342 9.3287 120.9804 55.6642 38.9259 170.6310 31 R 3.5315 8.1274 124.2676 55.4581 31.3100 176.8752 *35 R 3.7525 8.4096 121.6162 55.9737 30.2026 174.5474 36 N 4.5031 8.2636 125.5535 52.6316 38.2298 175.1586 37 H 4.5005 8.4824 123.1417 57.4662 29.0177 176.5222 38 K 4.5451 8.6716 118.6949 55.8943 32.2157 176.4126 39 R 4.0354 7.6664 119.0808 56.2846 30.3060 176.2574 40 R 4.6917 8.4104 121.9435 54.5132 33.4440 173.6508 41 H 4.9754 8.3280 121.8755 53.5234 32.3531 174.6817 42 W 4.2299 8.6117 123.5034 59.5770 28.0610 177.4010 43 R 3.7565 5.8602 117.6932 58.5726 29.6546 177.6828 44 R 3.8850 7.7045 115.2047 58.1854 30.2321 176.0566 45 N 4.9236 7.7068 114.1322 51.3667 41.1714 173.3750 46 D 4.5280 8.1566 118.0294 53.1745 43.3968 175.0107 47 T 4.2820 8.3911 117.0688 61.1139 70.0826 173.4005 48 D 4.6476 8.1555 121.0228 54.2546 42.1361 176.8457 49 E 4.2712 8.7600 119.4761 56.7456 28.8669 175.3073 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 3.92 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 0.00 0.00 0.00 2 K 8.35 4.32 0.00 1.78 1.70 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 K 8.37 4.42 0.00 1.85 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.40 7.81 4 S 8.27 4.47 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 8.45 3.93 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 1.50 1.50 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 7.93 3.83 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 8.07 3.92 0.00 2.06 1.99 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 1.43 1.48 7.81 9 K 8.03 3.96 0.00 1.97 1.85 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 1.80 7.81 10 R 8.08 3.93 0.00 2.03 1.98 0.00 3.39 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 1.83 0.00 11 L 8.33 4.00 0.00 1.80 1.72 0.92 0.73 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 12 A 8.24 3.98 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 8.19 3.85 0.00 1.84 1.98 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 7.94 4.24 0.00 1.94 1.73 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.94 4.31 0.00 2.67 2.91 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 16 N 8.04 4.44 0.00 2.77 2.99 0.00 0.00 7.32 6.65 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 17 Q 8.43 4.15 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 18 N 7.79 4.53 0.00 2.88 2.95 0.00 0.00 6.99 8.29 0.00 0.00 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 7.33 4.79 0.00 3.97 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 20 R 8.15 3.99 0.00 1.76 1.84 0.00 3.25 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 1.58 1.62 0.00 21 V 8.10 3.73 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 0.68 0.00 0.00 0.84 0.00 0.00 22 P 0.00 4.02 0.00 1.45 2.12 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.78 0.00 23 A 8.90 3.94 1.38 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 0.00 0.00 24 W 8.14 4.29 0.00 3.60 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 6.79 3.23 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 0.75 0.00 0.00 -0.52 0.00 0.00 26 M 7.66 3.93 0.00 2.06 2.22 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 7.90 3.97 0.00 1.78 1.78 0.99 0.82 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 28 K 8.03 3.95 0.00 2.06 2.02 0.00 2.05 0.00 0.00 2.09 0.00 0.00 3.19 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.58 7.81 29 T 7.70 4.36 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 1.25 0.00 0.00 30 D 9.33 4.23 0.00 2.75 2.73 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 0.00 0.00 0.00 0.00 31 R 8.13 3.53 0.00 1.94 1.95 0.00 3.19 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 *35 R 8.41 3.75 0.00 1.74 1.80 0.00 3.24 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 36 N 8.26 4.50 0.00 2.70 2.66 0.00 0.00 7.15 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 8.48 4.50 0.00 3.18 3.32 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.67 4.55 0.00 1.78 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.38 7.81 39 R 7.67 4.04 0.00 1.83 1.88 0.00 3.16 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 1.62 0.00 40 R 8.41 4.69 0.00 1.73 1.78 0.00 3.20 0.00 0.00 3.17 7.37 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 8.33 4.98 0.00 3.12 2.96 0.00 5.93 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.61 4.23 0.00 3.51 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 5.86 3.76 0.00 0.67 1.13 0.00 2.53 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 1.27 1.31 0.00 44 R 7.70 3.89 0.00 1.75 1.91 0.00 3.30 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 45 N 7.71 4.92 0.00 2.92 2.74 0.00 0.00 6.69 7.38 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 46 D 8.16 4.53 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 8.39 4.28 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 8.16 4.65 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.27 0.00 2.01 2.32 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 2.16 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.