NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3574 8.1627 120.3477 55.1118 32.7041 175.5497 1 K 3.7954 8.6933 126.3942 57.4973 32.5336 176.8340 2 R 3.7930 8.6108 119.6839 58.8142 30.4502 177.8849 3 E 3.9031 8.1864 116.9275 59.4233 29.3214 178.6543 4 S 4.3895 7.8481 112.9342 61.0191 62.9891 175.2953 5 H 3.5989 8.7624 121.3982 60.0498 29.1885 175.6431 6 K 4.2732 8.1579 120.4758 57.8172 32.0676 178.1228 7 H 4.1844 7.9762 116.1562 60.1024 28.9490 176.3000 8 A 4.3539 9.3283 123.9728 53.9303 18.1559 178.4904 9 E 4.0140 8.7364 112.0135 57.3092 29.8552 178.5913 10 Q 4.1368 8.6801 121.5228 58.1447 29.6579 177.2911 11 A 3.9671 7.3184 118.9052 55.6275 18.6216 178.9967 12 R 3.8410 8.0194 116.6523 59.5071 28.8857 178.2083 13 R 3.8636 8.0262 119.1342 59.1986 30.0356 178.6070 14 N 4.4748 8.2839 117.2614 55.8736 37.3423 176.8567 15 R 3.8223 8.1253 121.6872 59.3131 29.6679 177.9447 16 L 3.9294 7.3633 119.3937 58.0223 41.2882 177.9701 17 A 4.1912 8.5205 120.6570 54.0890 19.2713 179.4627 18 V 3.6016 7.5667 109.0442 65.2034 31.6424 178.0856 19 A 4.0534 7.8249 119.2266 53.9681 18.3013 178.6617 20 L 3.8903 7.8662 116.8297 58.3719 42.3703 179.5070 21 H 4.2019 9.5053 118.4384 59.1900 29.6357 177.4267 22 E 4.3477 8.0141 117.9921 56.5632 29.3540 177.0920 23 L 4.2924 7.4509 117.9819 56.1843 43.0638 177.8946 24 A 3.9278 7.7667 121.6053 54.8138 19.0725 179.5449 25 S 4.2739 7.8154 110.8749 61.6958 62.8081 176.5538 26 L 4.2450 7.7226 120.5288 53.7563 42.8841 175.6394 27 I 3.5503 7.9001 120.9557 59.9587 37.0397 173.3125 28 P 4.0199 0.0000 0.0000 65.3662 31.4060 177.0146 29 A 4.4723 6.6186 121.7041 52.7931 16.3866 176.9315 30 E 4.1127 8.6056 117.7184 56.9842 29.4715 179.1743 31 W 4.4952 8.1155 119.1579 58.3555 28.5869 178.0122 32 K 4.0718 7.7178 116.6196 58.1354 32.0404 176.9248 33 Q 4.2713 7.8454 120.8003 57.0689 29.8649 175.0299 34 Q 4.4500 7.5939 119.6398 52.9246 28.7911 173.1776 35 N 4.3161 8.1737 120.5509 52.7823 42.0508 175.3308 36 V 3.4081 8.9851 119.0096 65.9454 31.7929 176.1602 37 S 3.8524 7.5155 113.8051 58.3765 60.3734 172.8834 38 A 4.4288 8.3067 128.2275 50.8250 18.8135 176.4516 39 A 4.6028 7.2960 123.5347 52.5310 21.1631 175.6285 40 P 4.6067 0.0000 0.0000 62.0651 30.6240 174.2504 41 S 4.7442 7.8077 121.9482 58.8833 70.0800 176.8307 42 K 4.3560 6.5884 119.3722 55.2220 31.6937 181.3974 43 A 3.2886 7.4847 127.4788 53.7756 19.8436 178.6987 44 T 4.7374 7.5435 105.8476 64.4917 68.9558 176.2775 45 T 3.7689 7.9397 118.6747 66.2056 68.5650 176.4565 46 V 3.6559 7.6324 119.1087 65.5298 31.1238 177.9463 47 E 3.9177 8.5334 118.8340 59.5166 29.5249 179.2345 48 A 3.8949 8.2523 120.1552 54.4707 18.1339 179.4657 49 A 3.8478 7.8350 119.5502 55.3795 18.6149 179.2192 50 C 4.2753 8.2382 115.0906 62.6805 28.2108 175.8883 51 R 4.0953 7.5418 119.8633 59.2468 29.6331 177.9723 52 Y 4.5526 7.7242 119.0011 61.1852 38.5824 179.1616 53 I 3.6385 7.7769 120.0230 64.3793 37.3048 177.7072 54 R 3.8012 8.3163 118.5863 59.9959 30.0044 177.5930 55 H 4.2790 9.1442 117.9440 59.3556 29.7945 176.9985 56 L 3.9136 7.6672 119.8156 58.0373 41.5092 179.0462 57 Q 4.5278 8.3555 114.8612 55.4872 28.6774 176.1567 58 Q 4.0159 7.8503 120.0619 56.6821 28.2507 176.3709 59 N 5.0245 7.9701 122.4601 49.8371 38.9305 176.3319 60 G 4.3073 7.0124 104.1461 45.4844 0.0000 170.0459 61 S 4.3297 8.1067 116.6837 57.8086 63.6889 174.0052 62 T 4.0488 8.4747 116.6039 62.0561 68.4608 173.9600 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 0 M 8.16 4.36 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 1 K 8.69 3.80 0.00 1.96 1.79 0.00 1.93 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.61 7.81 2 R 8.61 3.79 0.00 1.73 1.73 0.00 3.27 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 3 E 8.19 3.90 0.00 2.12 2.10 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 2.42 2.44 0.00 4 S 7.85 4.39 0.00 3.94 4.04 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 0.00 0.00 0.00 5 H 8.76 3.60 0.00 3.20 3.48 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.16 4.27 0.00 1.68 1.68 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.79 7.81 7 H 7.98 4.18 0.00 3.29 3.37 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 9.33 4.35 1.25 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 0.00 0.00 0.00 9 E 8.74 4.01 0.00 2.04 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 2.24 2.31 0.00 10 Q 8.68 4.14 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 11 A 7.32 3.97 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 12 R 8.02 3.84 0.00 2.04 2.01 0.00 3.25 0.00 0.00 3.25 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 13 R 8.03 3.86 0.00 2.00 1.93 0.00 3.19 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 14 N 8.28 4.47 0.00 2.94 3.30 0.00 0.00 6.40 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.13 3.82 0.00 1.88 2.10 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 16 L 7.36 3.93 0.00 1.86 1.86 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.52 4.19 1.35 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 0.00 0.00 18 V 7.57 3.60 2.10 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 0.78 0.00 0.00 1.03 0.00 0.00 19 A 7.82 4.05 1.25 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 0.00 0.00 0.00 20 L 7.87 3.89 0.00 1.65 1.94 0.90 1.00 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 21 H 9.51 4.20 0.00 3.22 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.01 4.35 0.00 2.14 1.89 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 0.00 2.21 2.31 0.00 23 L 7.45 4.29 0.00 1.68 1.47 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.77 3.93 1.23 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 0.00 0.00 25 S 7.82 4.27 0.00 3.88 3.95 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 26 L 7.72 4.24 0.00 1.49 1.54 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.90 3.55 1.65 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.37 0.70 0.00 0.00 28 P 0.00 4.02 0.00 1.41 1.97 0.00 2.20 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 29 A 6.62 4.47 0.93 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 0.00 0.00 30 E 8.61 4.11 0.00 2.12 2.00 0.00 0.00 0.00 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 2.37 0.00 31 W 8.12 4.50 0.00 3.67 3.27 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 32 K 7.72 4.07 0.00 1.73 1.69 0.00 1.35 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.18 1.44 7.81 33 Q 7.85 4.27 0.00 2.03 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.08 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 34 Q 7.59 4.45 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 35 N 8.17 4.32 0.00 2.87 2.68 0.00 0.00 6.68 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 36 V 8.99 3.41 2.10 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 0.88 0.00 0.00 0.96 0.00 0.00 37 S 7.52 3.85 0.00 4.06 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.31 4.43 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.30 4.60 1.25 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 0.00 0.00 0.00 40 P 0.00 4.61 0.00 2.17 2.10 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 41 S 7.81 4.74 0.00 3.93 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 42 K 6.59 4.36 0.00 1.82 0.83 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.44 7.81 43 A 7.48 3.29 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 44 T 7.54 4.74 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 1.27 0.00 0.00 45 T 7.94 3.77 4.39 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 1.15 0.00 0.00 46 V 7.63 3.66 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 1.01 0.00 0.00 0.95 0.00 0.00 47 E 8.53 3.92 0.00 2.22 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 2.34 2.33 0.00 48 A 8.25 3.89 1.08 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 0.00 0.00 49 A 7.84 3.85 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 50 C 8.24 4.28 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 4.10 0.00 1.53 2.18 0.00 3.52 0.00 0.00 3.23 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 52 Y 7.72 4.55 0.00 2.73 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.78 3.64 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 1.59 0.86 0.95 0.00 0.00 54 R 8.32 3.80 0.00 1.98 2.24 0.00 3.36 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 55 H 9.14 4.28 0.00 3.39 3.59 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.67 3.91 0.00 1.66 1.63 -0.25 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.36 4.53 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.06 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 58 Q 7.85 4.02 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 7.27 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 59 N 7.97 5.02 0.00 2.77 2.71 0.00 0.00 6.98 7.65 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 60 G 7.01 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 0.00 0.00 0.00 0.00 61 S 8.11 4.33 0.00 3.83 3.77 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 62 T 8.47 4.05 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 1.20 0.00 0.00