NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4302 8.1633 120.3492 55.0172 34.3350 176.9142 2 K 4.8476 7.9741 119.2394 57.4754 31.8599 176.8564 3 L 3.8942 8.4884 122.9919 58.3733 42.2563 178.6040 4 S 4.1527 8.1160 114.4943 62.1398 62.7236 175.8078 5 E 4.0491 8.1993 121.4810 59.0731 29.2566 179.0260 6 V 4.4163 8.1715 119.5750 65.5739 31.7822 178.2331 7 R 3.8467 8.1354 118.5912 59.7629 29.8647 178.5632 8 K 4.1023 7.6986 117.5223 59.6297 32.0549 179.3058 9 Q 4.4834 7.8303 118.8740 57.8489 28.2623 178.6708 10 L 4.0889 7.9841 120.0371 57.5333 42.0780 178.7973 11 E 4.1018 8.0632 116.5605 58.9567 29.6126 178.4230 12 E 4.1455 8.4644 119.6070 58.4206 29.7025 178.0057 13 A 4.5853 8.0885 122.4658 52.6690 17.8441 178.2905 14 R 4.7114 8.1557 116.6947 57.4411 29.9623 178.0684 15 K 3.8982 7.5243 117.6814 57.6344 32.6315 176.1647 16 L 4.5356 7.5969 116.1144 53.7205 43.1600 176.2267 17 S 5.3226 7.7753 119.3131 59.2031 62.9007 174.1729 18 P 4.3067 0.0000 0.0000 65.3694 31.3134 179.1001 19 V 3.5369 7.6448 116.6973 66.2326 31.6266 177.9624 20 E 3.9663 7.7776 117.6716 58.9322 29.1664 178.7741 21 L 4.0255 8.5451 121.1751 58.3702 42.1241 178.8004 22 E 3.9591 8.1898 117.8670 59.3423 29.5056 179.3637 23 K 3.8425 8.2921 118.7151 59.7176 32.1791 179.0932 24 L 3.9671 8.5939 120.8596 58.0015 41.9163 179.2576 25 V 3.5491 8.2520 118.6489 66.1427 31.5587 178.0047 26 R 3.8205 8.3816 118.2096 59.4671 29.7933 178.8087 27 E 3.9306 8.2160 117.9908 59.5698 29.5046 179.6237 28 K 3.9411 8.2324 118.3540 59.2287 32.0334 179.6235 29 K 3.9298 8.8203 119.5950 59.3735 31.9603 179.1284 30 R 3.8319 8.0134 118.7998 59.6511 30.0391 178.2704 31 E 3.9129 8.3621 118.4437 59.2983 29.3977 179.1992 32 L 3.9429 8.1908 120.6785 58.2678 42.1503 178.7311 33 M 4.0403 8.1306 118.0636 58.8322 32.3340 177.5815 34 E 3.9129 8.7522 119.7639 59.7532 29.5030 178.0946 35 L 4.0735 8.0573 120.9595 57.7787 42.2074 178.9632 36 R 4.0143 8.4673 116.3874 58.9714 29.1790 178.6599 37 F 3.8343 8.5306 121.4868 61.4269 39.3617 176.7274 38 Q 4.2440 8.2168 116.0932 57.9396 28.5826 178.1868 39 A 4.0553 8.5721 124.5154 54.3921 18.1728 179.7700 40 S 4.1188 8.0745 112.5132 61.3155 63.2481 176.3080 41 I 3.8891 7.1471 114.8884 62.0846 37.6918 176.4748 42 G 4.2649 8.0234 116.1275 46.1799 0.0000 176.4179 43 Q 4.6129 7.5167 118.8333 54.8534 28.5714 177.4543 44 L 4.5125 8.0975 114.9237 53.9311 43.5726 175.5295 45 S 4.5893 7.9860 112.7016 56.9858 65.1454 172.8094 46 Q 4.3403 8.0224 123.1942 54.6908 29.6865 176.5235 47 N 4.4811 7.0661 125.0371 55.2417 40.8072 176.4665 48 H 4.3224 7.5809 114.4379 57.9434 29.2709 177.6469 49 K 3.7710 7.9680 120.1241 59.7599 31.6711 178.5474 50 I 3.7303 7.8073 120.3267 64.3192 37.0675 178.5860 51 R 3.8202 7.9128 116.3634 59.5370 29.2158 178.5262 52 D 4.3397 7.9495 119.4559 57.1129 40.8092 178.4313 53 L 4.0043 8.1144 121.0982 58.1869 42.0813 178.6049 54 K 3.9514 8.8570 119.1083 59.7090 31.8946 179.4067 55 R 4.0090 8.3346 118.3374 58.9326 30.1509 179.0587 56 Q 3.9111 7.9943 119.8402 59.3709 29.0393 178.0421 57 I 3.6836 7.9283 120.5561 65.1367 37.0869 177.3392 58 A 3.9793 8.0075 121.0155 55.5358 17.8285 179.5021 59 R 4.0486 7.9003 116.1459 58.4438 29.6061 178.8401 60 L 4.1097 7.5761 118.2974 57.6962 41.7483 179.0134 61 L 4.0924 7.9637 119.1609 58.1304 42.1577 177.3312 62 T 4.1629 8.0901 120.3448 63.9251 68.2744 173.7029 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 4.43 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 2 K 7.97 4.85 0.00 1.97 1.86 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.62 7.81 3 L 8.49 3.89 0.00 1.66 1.65 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.12 4.15 0.00 3.90 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 5 E 8.20 4.05 0.00 2.20 1.91 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 2.40 2.54 0.00 6 V 8.17 4.42 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 0.91 0.00 0.00 1.04 0.00 0.00 7 R 8.14 3.85 0.00 2.05 1.92 0.00 3.21 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 1.63 1.73 0.00 8 K 7.70 4.10 0.00 1.88 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.65 7.81 9 Q 7.83 4.48 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 10 L 7.98 4.09 0.00 1.65 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.06 4.10 0.00 1.91 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 2.31 2.42 0.00 12 E 8.46 4.15 0.00 2.14 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 0.00 2.30 2.32 0.00 13 A 8.09 4.59 1.36 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 0.00 0.00 14 R 8.16 4.71 0.00 1.87 1.91 0.00 3.30 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 1.56 1.71 0.00 15 K 7.52 3.90 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.41 7.81 16 L 7.60 4.54 0.00 1.66 1.57 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.78 5.32 0.00 3.88 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.31 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 19 V 7.64 3.54 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 1.16 0.00 0.00 0.93 0.00 0.00 20 E 7.78 3.97 0.00 2.32 1.98 0.00 0.00 0.00 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 2.64 0.00 21 L 8.55 4.03 0.00 1.81 1.82 0.92 1.04 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 22 E 8.19 3.96 0.00 2.22 1.98 0.00 0.00 0.00 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 2.40 0.00 23 K 8.29 3.84 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 24 L 8.59 3.97 0.00 1.90 1.64 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.25 3.55 2.13 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 0.97 0.00 0.00 0.95 0.00 0.00 26 R 8.38 3.82 0.00 2.05 1.97 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 27 E 8.22 3.93 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.64 0.00 28 K 8.23 3.94 0.00 1.87 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.67 1.63 7.81 29 K 8.82 3.93 0.00 1.88 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.59 7.81 30 R 8.01 3.83 0.00 1.85 2.13 0.00 3.07 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 31 E 8.36 3.91 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 32 L 8.19 3.94 0.00 1.90 1.82 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.13 4.04 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.47 0.00 34 E 8.75 3.91 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 35 L 8.06 4.07 0.00 2.06 1.72 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.47 4.01 0.00 2.12 2.21 0.00 2.87 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 37 F 8.53 3.83 0.00 3.22 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 38 Q 8.22 4.24 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 39 A 8.57 4.06 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 40 S 8.07 4.12 0.00 3.96 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 41 I 7.15 3.89 1.87 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 1.64 0.60 0.93 0.00 0.00 42 G 8.02 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 0.00 0.00 0.00 0.00 43 Q 7.52 4.61 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.39 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 44 L 8.10 4.51 0.00 1.70 1.62 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.99 4.59 0.00 3.94 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 46 Q 8.02 4.34 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.19 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 47 N 7.07 4.48 0.00 2.76 2.73 0.00 0.00 6.68 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 48 H 7.58 4.32 0.00 3.35 3.55 0.00 5.52 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.97 3.77 0.00 1.80 1.85 0.00 1.22 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 50 I 7.81 3.73 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 1.58 0.73 0.92 0.00 0.00 51 R 7.91 3.82 0.00 2.04 2.21 0.00 2.99 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 52 D 7.95 4.34 0.00 2.89 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 53 L 8.11 4.00 0.00 1.96 1.75 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.86 3.95 0.00 2.03 1.80 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.59 7.81 55 R 8.33 4.01 0.00 1.87 1.99 0.00 3.14 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 56 Q 7.99 3.91 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 57 I 7.93 3.68 2.06 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 1.60 0.83 0.91 0.00 0.00 58 A 8.01 3.98 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 59 R 7.90 4.05 0.00 1.93 2.10 0.00 3.08 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 60 L 7.58 4.11 0.00 1.86 1.78 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.96 4.09 0.00 1.87 1.75 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.09 4.16 4.38 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 1.21 0.00 0.00