NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5644 8.1633 120.2875 55.3941 33.8175 173.6843 2 I 4.6970 8.4821 125.2577 59.3299 39.2056 173.8417 3 I 4.4450 9.2473 128.5490 59.7835 39.5241 173.6505 4 N 5.1254 8.8466 126.0661 51.5771 40.9325 174.1259 5 N 4.9828 8.3130 121.7270 52.2239 40.7226 176.3159 6 L 3.7362 8.2981 122.6133 58.3324 41.9176 179.0051 7 K 3.9672 7.8945 118.0347 59.7591 32.5249 178.5446 8 L 3.8806 7.8278 121.0616 58.1057 42.1598 178.9072 9 I 3.6628 8.1194 120.0203 64.4486 37.1028 178.6505 10 R 3.9608 7.9489 118.9621 59.2871 29.6217 178.9727 11 E 4.0810 8.1832 117.8805 59.0977 29.5007 179.0139 12 K 4.0430 8.1203 118.2852 60.1896 32.5059 177.2493 13 K 4.8311 7.7582 118.0894 54.2775 37.1519 176.0119 14 K 4.7260 8.2027 112.9718 56.2205 32.3880 174.8978 15 I 4.5228 7.7669 121.0102 60.1792 40.3361 176.9759 16 S 4.6767 9.5288 122.3371 56.9436 65.9731 175.3169 17 Q 4.0355 8.3848 120.1473 59.5930 28.2689 178.7774 18 S 4.0667 7.9251 116.6364 61.5458 62.9471 176.2668 19 E 3.9422 8.0527 120.6845 59.3682 29.3038 179.2596 20 L 3.9022 7.7863 118.2963 57.6593 41.5933 179.3434 21 A 3.9360 8.3322 120.8524 55.1414 18.4043 179.6383 22 A 3.8613 7.8348 118.8613 55.2365 18.2810 179.6805 23 L 3.7512 7.9313 118.0633 57.8604 42.2571 178.3446 24 L 4.1995 8.1851 116.2252 54.0350 41.9633 176.4808 25 E 3.7456 7.7384 116.9199 57.5961 27.3818 174.1772 26 V 4.4777 7.7879 111.3740 59.5215 35.0132 175.2909 27 S 4.6896 8.0936 115.7775 57.6281 64.1325 176.1239 28 R 3.9360 8.4772 122.4830 59.3929 29.7819 179.1957 29 Q 4.0574 8.0775 118.9570 59.1744 28.9873 178.4854 30 T 2.8235 7.6474 116.9858 66.2669 68.5265 176.6664 31 I 3.5809 7.4468 120.0220 64.0514 37.8909 177.2477 32 N 4.5640 8.6128 118.5832 56.6301 38.6840 177.1413 33 G 3.6911 8.1987 107.2397 47.7850 0.0000 175.8405 34 I 3.8513 7.7852 122.1567 64.1901 36.8971 178.1998 35 E 4.0434 8.0584 118.7201 58.5934 29.3137 178.6191 36 K 4.4778 7.5458 115.3498 54.5993 33.1253 175.7162 37 N 4.2884 8.0679 116.1498 53.6741 36.8765 175.9250 38 K 4.2816 8.2399 120.8407 59.0995 32.8979 176.5621 39 Y 4.0413 8.0518 117.8861 57.5020 39.1543 170.3653 40 N 4.3546 7.7769 125.3932 52.4453 40.4753 172.3139 41 P 4.5333 0.0000 0.0000 63.1003 29.9840 175.1813 42 S 4.3563 8.4335 119.0428 57.7836 64.0476 174.4810 43 L 3.9054 8.4526 128.7904 57.6662 41.9975 178.6186 44 Q 3.9081 7.9740 119.3896 59.2723 28.6157 178.0535 45 L 4.0550 8.0057 119.2311 57.7599 41.5595 179.3033 46 A 4.1974 7.9533 120.4901 54.9140 18.3518 179.4509 47 L 4.0094 8.4749 119.5732 58.1875 42.1236 179.3535 48 K 4.2909 8.1644 118.7528 60.0849 32.4611 179.1956 49 I 3.8065 7.7135 119.8912 64.2315 37.0138 178.2375 50 A 4.1181 8.4141 121.9400 55.2432 18.3318 179.1499 51 Y 4.0406 8.6090 118.4838 61.2048 38.7066 177.7220 52 Y 3.8331 8.0348 116.6269 60.5281 38.0857 177.4556 53 L 4.1736 8.4321 118.2034 54.2708 43.3296 176.2268 54 N 4.1884 7.5174 115.6849 54.6331 37.3953 173.2137 55 T 4.7187 8.5484 114.4655 60.5294 73.2821 172.9498 56 P 4.4810 0.0000 0.0000 62.6368 32.2603 177.1501 57 L 4.2684 8.9226 121.0671 58.4535 41.3423 179.6557 58 E 3.9674 8.4741 116.9381 59.5436 29.4790 178.4969 59 D 4.4155 7.8297 117.0781 57.1194 41.5897 177.6518 60 I 3.7252 7.7353 119.8301 63.6475 37.4972 175.4272 61 F 5.5656 8.7019 117.2691 55.6955 42.0441 174.7346 62 Q 4.2759 9.3010 122.2457 53.7038 31.0268 174.4195 63 W 5.1358 7.7588 121.6247 55.0055 29.8637 175.2389 64 Q 4.6569 9.0023 125.0794 52.8305 30.0040 175.0969 65 P 4.6332 0.0000 0.0000 62.7833 31.2881 176.3541 66 E 4.2643 8.1908 123.2375 56.5958 29.6034 176.2942 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 M 8.16 4.56 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 2 I 8.48 4.70 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.19 1.11 0.00 0.00 3 I 9.25 4.44 2.08 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.88 0.93 0.00 0.00 4 N 8.85 5.13 0.00 2.93 2.76 0.00 0.00 7.08 7.91 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 5 N 8.31 4.98 0.00 2.70 2.63 0.00 0.00 6.61 6.34 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 6 L 8.30 3.74 0.00 1.76 1.60 0.91 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.89 3.97 0.00 2.00 2.03 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 8 L 7.83 3.88 0.00 1.66 1.87 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.12 3.66 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.89 0.00 0.00 10 R 7.95 3.96 0.00 1.98 2.09 0.00 3.11 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 11 E 8.18 4.08 0.00 2.05 1.99 0.00 0.00 0.00 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 2.58 0.00 12 K 8.12 4.04 0.00 1.89 1.87 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.73 7.81 13 K 7.76 4.83 0.00 1.73 1.76 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.55 7.81 14 K 8.20 4.73 0.00 1.78 1.75 0.00 1.50 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.43 7.81 15 I 7.77 4.52 1.86 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 1.28 0.67 0.89 0.00 0.00 16 S 9.53 4.68 0.00 4.11 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 17 Q 8.38 4.04 0.00 2.25 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 18 S 7.93 4.07 0.00 3.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 3.94 0.00 2.02 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 2.37 2.44 0.00 20 L 7.79 3.90 0.00 1.82 1.69 0.92 0.62 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 21 A 8.33 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.83 3.86 1.34 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 0.00 0.00 23 L 7.93 3.75 0.00 1.51 1.68 0.61 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.19 4.20 0.00 1.60 1.72 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.74 3.75 0.00 2.16 2.04 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 2.23 2.24 0.00 26 V 7.79 4.48 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.90 0.00 0.00 27 S 8.09 4.69 0.00 3.89 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 28 R 8.48 3.94 0.00 1.84 2.16 0.00 3.12 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 29 Q 8.08 4.06 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.25 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 30 T 7.65 2.82 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 0.69 0.00 0.00 31 I 7.45 3.58 1.82 0.00 0.00 0.84 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 1.19 1.02 0.00 0.00 32 N 8.61 4.56 0.00 3.03 2.87 0.00 0.00 7.14 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.20 3.69 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 0.00 0.00 0.00 34 I 7.79 3.85 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.04 1.03 0.00 0.00 35 E 8.06 4.04 0.00 2.14 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 2.34 2.58 0.00 36 K 7.55 4.48 0.00 1.72 1.83 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.57 7.81 37 N 8.07 4.29 0.00 3.05 3.13 0.00 0.00 6.64 6.75 0.00 0.00 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 K 8.24 4.28 0.00 1.90 1.95 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.40 7.81 39 Y 8.05 4.04 0.00 2.96 2.96 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 0.00 0.00 0.00 0.00 40 N 7.78 4.35 0.00 2.98 2.83 0.00 0.00 7.20 7.58 0.00 0.00 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 P 0.00 4.53 0.00 2.05 2.17 0.00 3.78 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 2.13 2.27 0.00 42 S 8.43 4.36 0.00 4.01 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.45 3.91 0.00 1.49 1.54 0.84 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.97 3.91 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 45 L 8.01 4.06 0.00 1.88 1.71 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.95 4.20 1.63 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 0.00 0.00 47 L 8.47 4.01 0.00 1.82 1.93 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.16 4.29 0.00 2.39 2.22 0.00 1.44 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.75 1.67 7.81 49 I 7.71 3.81 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.92 0.95 0.00 0.00 50 A 8.41 4.12 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 4.04 0.00 2.90 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.03 3.83 0.00 3.08 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 53 L 8.43 4.17 0.00 1.64 1.72 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.52 4.19 0.00 2.70 2.73 0.00 0.00 6.90 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.55 4.72 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 1.21 0.00 0.00 56 P 0.00 4.48 0.00 2.28 2.24 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 57 L 8.92 4.27 0.00 1.98 2.13 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.47 3.97 0.00 1.99 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 2.67 2.73 0.00 59 D 7.83 4.42 0.00 2.68 2.83 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 60 I 7.74 3.73 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 0.20 0.00 0.00 61 F 8.70 5.57 0.00 3.21 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 62 Q 9.30 4.28 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.82 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 63 W 7.76 5.14 0.00 3.25 3.23 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 0.00 64 Q 9.00 4.66 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.69 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 65 P 0.00 4.63 0.00 2.08 2.12 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 66 E 8.19 4.26 0.00 1.98 1.87 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 2.28 2.25 0.00