NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9703 8.2133 109.7365 44.9748 0.0000 174.6747 3 I 3.4833 8.1696 119.5938 63.4684 36.8600 173.6300 4 V 3.5882 7.8672 118.9725 65.9056 31.9029 177.4965 5 Q 3.9259 7.9628 118.9205 59.2193 29.0474 177.6620 6 Q 3.9653 8.3417 120.8866 59.1660 29.1168 178.0743 7 Q 3.9613 8.0723 120.6068 59.3349 29.1595 178.0163 8 N 4.3953 8.1644 117.4472 56.1700 38.5003 176.9608 9 N 4.3806 8.2025 118.6922 56.3913 39.0269 177.0616 10 L 3.9951 7.9915 120.6681 57.5784 41.6462 179.1851 11 L 3.9625 7.8744 120.1389 58.2841 42.0830 179.2088 12 R 4.2364 8.2590 119.0707 58.6687 29.8688 178.9677 13 A 4.0401 8.0939 120.6727 55.1265 18.3751 179.7806 14 I 3.6867 7.7710 118.4164 64.5618 36.8489 178.5653 15 E 3.9801 8.6666 119.7087 59.2993 29.3783 179.2814 16 A 4.0890 8.1568 120.9012 55.3138 18.3887 179.7590 17 Q 4.0369 8.5630 116.9351 58.8435 28.7150 178.5978 18 Q 3.9892 8.0791 121.0059 59.2870 29.1053 177.9368 19 H 4.1310 8.0599 116.9194 58.7574 28.7935 177.5179 20 L 3.9774 7.8411 121.6485 58.0651 41.9266 178.6714 21 L 4.0099 8.3343 120.7109 58.4261 41.9431 179.0660 22 Q 4.1201 8.3790 117.9433 58.7450 28.5978 178.6204 23 L 4.1142 7.9148 120.5024 57.9115 41.5838 179.5526 24 T 4.0497 8.1833 109.9543 64.5472 68.7989 177.0755 25 V 3.7186 7.9738 121.1892 65.5829 31.6147 177.6528 26 W 4.2671 8.6041 128.4360 60.5509 30.5264 178.0273 27 G 3.5957 8.5500 105.5227 47.9088 0.0000 175.6305 28 I 3.5700 7.9750 122.4671 64.0405 37.0645 178.6977 29 K 3.7837 8.0055 119.1960 59.4689 31.6743 179.4548 30 Q 3.6176 7.4904 118.3135 58.5500 28.2364 178.8414 31 L 3.8719 7.2570 119.4890 57.6268 42.0117 179.1474 32 Q 3.9147 7.8928 117.6602 59.2147 28.1407 178.1882 33 A 3.9450 7.7421 124.3560 55.6136 18.3674 179.9165 34 R 3.9984 7.3535 117.9760 59.6987 29.6959 179.9135 35 S 4.4981 8.3466 118.1328 59.8676 61.1360 177.3552 *38 R 4.1853 9.1647 133.8501 55.1576 31.5853 179.5859 39 G 4.4439 8.7150 105.3766 46.7197 0.0000 174.5839 40 G 3.9040 7.9201 110.1153 44.7362 0.0000 174.4896 41 W 4.6796 7.8165 116.4290 56.5047 29.9911 177.3576 42 M 4.0116 8.1954 119.8094 59.2165 31.4377 177.6449 43 E 3.9810 8.2430 118.3892 58.9235 29.8718 178.1797 44 W 4.3114 8.4792 127.9738 60.8977 30.7128 177.4356 45 D 4.2782 9.0026 119.0700 57.2770 40.1699 178.7781 46 R 3.8526 7.9957 119.1580 59.5070 30.0721 178.4521 47 E 3.9612 8.4503 118.6220 59.4274 29.3868 179.3687 48 I 3.5043 7.5994 119.9094 64.4373 37.0758 178.2557 49 N 4.2598 8.2088 117.3418 56.3191 38.3646 177.2943 50 N 4.1968 8.3417 118.1249 56.6476 38.6666 177.2255 51 Y 4.0158 8.0437 118.0950 60.9420 37.7974 178.5824 52 T 3.7601 8.1892 117.1724 66.7732 68.5968 176.8313 53 S 4.0684 8.0756 117.0936 61.3688 62.8106 176.5920 54 L 3.8743 7.9368 122.8549 58.2819 41.8699 178.9829 55 I 3.7328 8.1963 120.0299 64.8728 37.0902 178.0366 56 H 4.2430 8.5334 117.5163 59.0530 28.5814 178.0267 57 S 4.2063 8.2071 115.9924 61.3178 62.8283 176.5829 58 L 4.0358 8.0780 122.6928 57.4215 41.2909 179.5196 59 I 3.6989 7.9867 119.8800 64.6084 36.9413 178.3318 60 E 4.5260 7.9617 119.1527 58.6630 29.4902 179.0375 61 E 4.0594 8.0594 119.3043 59.4988 29.8357 178.9188 62 S 4.1432 8.3421 115.5267 61.8619 62.4438 176.7958 63 Q 4.0277 8.5464 121.0706 58.8472 28.2316 178.0215 64 N 4.5495 7.9146 116.2783 55.2166 39.2139 176.0004 65 L 4.3729 7.5629 118.3541 55.6090 42.1977 176.4986 66 Q 4.1647 7.5506 121.9331 56.1422 28.6260 175.8841 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 2 G 8.21 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.17 3.48 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.88 0.91 0.00 0.00 4 V 7.87 3.59 2.08 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 1.03 0.00 0.00 0.93 0.00 0.00 5 Q 7.96 3.93 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 6 Q 8.34 3.97 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 7 Q 8.07 3.96 0.00 2.44 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 8 N 8.16 4.40 0.00 2.98 2.85 0.00 0.00 6.69 6.92 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 9 N 8.20 4.38 0.00 3.04 2.80 0.00 0.00 7.13 6.69 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 10 L 7.99 4.00 0.00 1.92 1.70 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.87 3.96 0.00 1.79 1.83 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.26 4.24 0.00 2.10 1.97 0.00 3.19 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 13 A 8.09 4.04 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 14 I 7.77 3.69 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.92 0.00 0.00 15 E 8.67 3.98 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 16 A 8.16 4.09 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 17 Q 8.56 4.04 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 18 Q 8.08 3.99 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 19 H 8.06 4.13 0.00 3.45 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.84 3.98 0.00 1.81 1.82 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.33 4.01 0.00 2.03 1.84 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.38 4.12 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.78 0.00 23 L 7.91 4.11 0.00 1.99 1.78 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.18 4.05 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 1.30 0.00 0.00 25 V 7.97 3.72 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 1.00 0.00 0.00 0.95 0.00 0.00 26 W 8.60 4.27 0.00 3.54 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.55 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.97 3.57 2.13 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 0.42 0.00 0.00 29 K 8.01 3.78 0.00 1.75 1.68 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.28 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.80 7.81 30 Q 7.49 3.62 0.00 1.76 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.00 31 L 7.26 3.87 0.00 1.64 1.58 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.89 3.91 0.00 1.55 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 33 A 7.74 3.95 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.35 4.00 0.00 1.87 1.88 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 35 S 8.35 4.50 0.00 4.02 3.29 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 0.00 0.00 0.00 0.00 *38 R 9.16 4.19 0.00 1.76 1.98 0.00 3.35 0.00 0.00 3.34 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 39 G 8.72 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.92 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 7.82 4.68 0.00 3.47 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.20 4.01 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.69 0.00 43 E 8.24 3.98 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 44 W 8.48 4.31 0.00 3.65 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 45 D 9.00 4.28 0.00 3.00 2.77 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 0.00 0.00 0.00 0.00 46 R 8.00 3.85 0.00 2.06 2.10 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 47 E 8.45 3.96 0.00 2.10 2.08 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 2.45 2.57 0.00 48 I 7.60 3.50 1.56 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.36 0.66 0.00 0.00 49 N 8.21 4.26 0.00 2.87 2.82 0.00 0.00 7.09 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.34 4.20 0.00 2.59 2.54 0.00 0.00 7.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.04 4.02 0.00 3.14 2.95 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 0.00 0.00 0.00 52 T 8.19 3.76 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 53 S 8.08 4.07 0.00 3.94 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 54 L 7.94 3.87 0.00 1.76 1.79 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.20 3.73 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.97 0.00 0.00 56 H 8.53 4.24 0.00 3.32 3.47 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.21 4.21 0.00 4.07 4.12 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 58 L 8.08 4.04 0.00 1.90 1.77 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.99 3.70 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.91 0.00 0.00 60 E 7.96 4.53 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 61 E 8.06 4.06 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 62 S 8.34 4.14 0.00 4.03 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 63 Q 8.55 4.03 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 64 N 7.91 4.55 0.00 2.74 2.99 0.00 0.00 7.22 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.56 4.37 0.00 1.82 1.69 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.55 4.16 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 * Residues marked with a * may have inaccurate shift predictions.