NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8270 8.3544 109.7365 44.8595 0.0000 174.4699 2 S 3.4800 9.2320 112.3933 58.5783 61.2762 169.0375 3 S 4.7214 8.1521 114.9395 56.8825 65.2493 173.6522 4 G 4.2252 8.1954 111.7678 43.5769 0.0000 171.5722 5 S 4.5170 8.4530 114.0515 57.0159 63.4695 174.0111 6 S 4.0995 8.7944 124.7864 63.0303 62.6344 173.6089 7 G 3.8794 7.7285 102.2176 44.2113 0.0000 172.1863 8 H 4.9692 8.2962 113.4380 53.8476 31.2878 172.3299 9 Q 4.5614 8.3754 118.4683 54.5497 31.8586 173.5157 10 E 4.7480 8.4374 114.7957 54.3170 32.4519 174.7773 11 I 4.5029 8.0089 120.3520 58.3398 40.7273 175.0171 12 K 3.8308 8.4926 125.6810 57.5134 33.3325 175.5834 13 G 4.0911 8.6877 107.3772 46.6685 0.0000 174.5750 14 R 3.9873 7.8271 120.5009 59.1949 30.9441 178.2165 15 K 4.1489 7.8056 116.3647 56.5427 32.5858 176.8476 16 T 4.3081 8.3241 120.7447 62.8190 70.0307 174.4303 17 L 4.5274 8.1363 127.2218 54.3850 43.0695 174.6823 18 A 4.6864 8.1944 125.1263 51.1443 21.8414 175.8305 19 T 3.9845 8.2757 110.7733 61.2763 69.2858 173.5749 20 P 4.2052 0.0000 0.0000 66.1483 31.2396 178.5841 21 A 3.9736 7.9294 119.0964 54.4870 18.0690 179.1273 22 V 3.7685 7.6605 116.3440 65.7892 31.5846 178.0984 23 R 3.9115 8.0294 117.9040 59.2581 29.8532 179.0072 24 R 3.7834 7.7797 118.1625 59.1848 30.2658 178.0011 25 L 3.8747 7.5543 119.2807 57.9547 41.7642 178.9113 26 A 4.0214 7.7827 120.2306 54.9855 18.8769 179.0098 27 M 3.9101 7.2694 113.6231 58.6110 30.9537 178.0636 28 E 4.2355 8.0795 118.7173 58.2055 29.8601 177.5045 29 N 4.7909 7.3454 113.3653 51.6723 39.5583 174.3444 30 N 4.1005 8.0685 116.5668 54.5482 37.5800 173.8215 31 I 4.0481 7.4022 116.4172 59.6932 38.8992 177.7031 32 K 4.2007 8.1893 124.6198 55.0894 31.1711 178.0045 33 L 3.6965 7.9306 123.9397 57.7556 41.6306 178.6684 34 S 4.0729 8.1034 111.3609 62.0153 62.2381 175.9763 35 E 4.4274 8.5457 120.0229 58.2258 29.4453 176.9420 36 V 3.7975 7.7319 118.8771 62.5320 30.5929 175.4655 37 V 3.6568 8.4244 127.5720 61.4931 30.5413 176.5422 38 G 3.8947 8.4346 113.6610 45.4586 0.0000 171.2466 39 S 4.4810 8.1116 113.3428 59.6755 63.9190 174.9817 40 G 3.9817 7.9394 108.8371 44.7343 0.0000 173.4354 41 K 3.7530 8.4083 121.6470 60.1947 33.1976 177.4328 42 D 4.5898 7.9739 118.3920 55.3723 39.9928 176.9147 43 G 4.1742 8.1887 102.8514 46.0407 0.0000 171.9355 44 R 4.2793 7.6374 119.9702 56.1317 31.0115 175.7683 45 I 4.5194 8.5457 128.8266 61.2426 37.5871 176.1576 46 L 4.4164 9.0773 128.4072 52.9890 43.5129 178.0440 47 K 3.9067 8.7292 120.6012 59.6865 32.5703 178.4066 48 E 3.9908 8.3341 117.1597 59.5910 29.1089 178.4813 49 D 4.4186 7.6935 118.4489 57.2809 41.1489 178.7828 50 I 3.8653 7.4850 119.8984 64.6084 36.9483 178.5651 51 L 4.0695 8.0064 118.6297 57.1903 41.1558 178.4430 52 N 4.6522 8.0537 115.6589 54.6407 38.8837 176.5054 53 Y 4.2284 8.0973 121.6469 60.2127 38.8908 177.3785 54 L 4.1113 8.0526 119.9234 57.6630 41.7162 178.9812 55 E 4.0861 7.6105 116.2397 58.9241 29.1395 178.6159 56 K 4.2119 7.4419 119.4680 58.2226 32.4898 178.8328 57 Q 3.6761 7.7730 117.7262 59.1598 28.6091 178.3052 58 T 4.0992 8.2552 111.8077 63.6150 69.6039 176.0669 59 G 4.0528 7.3651 107.9544 43.0287 0.0000 172.8482 60 A 4.3015 7.4080 122.5910 50.8167 20.4179 177.2745 61 I 4.2838 8.0026 113.2601 59.3905 37.9183 175.2702 62 L 4.7661 8.0184 124.8269 52.7385 43.3411 174.3589 63 P 4.5585 0.0000 0.0000 61.6717 32.2969 174.7995 64 P 4.2559 0.0000 0.0000 65.3292 31.3692 177.6304 65 S 3.5689 8.5300 111.3264 57.7012 61.9544 170.8725 66 G 4.0754 8.0644 106.6050 43.7016 0.0000 172.4152 67 P 4.3171 0.0000 0.0000 65.1882 31.5585 177.1936 68 S 4.1367 7.9107 112.3405 58.9437 62.5730 173.6217 69 S 4.5884 8.3240 121.9049 57.3993 66.5987 174.3725 70 G 3.7448 8.5394 113.2896 46.2221 0.0000 172.7724 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 3.83 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 0.00 0.00 0.00 2 S 9.23 3.48 0.00 4.02 3.87 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 0.00 0.00 0.00 3 S 8.15 4.72 0.00 3.89 3.76 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 4 G 8.20 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 0.00 0.00 0.00 0.00 5 S 8.45 4.52 0.00 3.84 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 6 S 8.79 4.10 0.00 3.90 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 7 G 7.73 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 0.00 0.00 0.00 8 H 8.30 4.97 0.00 3.22 3.22 0.00 5.48 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.38 4.56 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 10 E 8.44 4.75 0.00 2.05 1.93 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 2.15 2.26 0.00 11 I 8.01 4.50 1.88 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 1.47 0.96 0.92 0.00 0.00 12 K 8.49 3.83 0.00 1.90 1.85 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.49 7.81 13 G 8.69 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.99 0.00 1.81 2.00 0.00 3.38 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 15 K 7.81 4.15 0.00 1.74 1.75 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.46 7.81 16 T 8.32 4.31 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 17 L 8.14 4.53 0.00 1.76 1.56 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.19 4.69 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 19 T 8.28 3.98 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 1.21 0.00 0.00 20 P 0.00 4.21 0.00 2.28 2.33 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 21 A 7.93 3.97 1.31 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 22 V 7.66 3.77 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.94 0.00 0.00 23 R 8.03 3.91 0.00 2.07 1.96 0.00 3.38 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 24 R 7.78 3.78 0.00 1.86 1.89 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 25 L 7.55 3.87 0.00 1.82 1.76 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.78 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.27 3.91 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 28 E 8.08 4.24 0.00 1.96 2.03 0.00 0.00 0.00 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 2.47 0.00 29 N 7.35 4.79 0.00 2.89 2.83 0.00 0.00 7.52 7.88 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 30 N 8.07 4.10 0.00 2.78 2.83 0.00 0.00 7.09 7.94 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 31 I 7.40 4.05 1.55 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 -0.49 0.00 0.00 32 K 8.19 4.20 0.00 1.89 1.78 0.00 1.61 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.58 7.81 33 L 7.93 3.70 0.00 1.64 1.68 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.10 4.07 0.00 3.86 3.94 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 0.00 0.00 0.00 35 E 8.55 4.43 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 36 V 7.73 3.80 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 0.77 0.00 0.00 0.60 0.00 0.00 37 V 8.42 3.66 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 0.75 0.00 0.00 0.95 0.00 0.00 38 G 8.43 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.11 4.48 0.00 4.09 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 40 G 7.94 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.41 3.75 0.00 1.72 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.46 7.81 42 D 7.97 4.59 0.00 2.75 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 43 G 8.19 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.64 4.28 0.00 1.92 1.83 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 45 I 8.55 4.52 1.86 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 1.47 0.80 0.93 0.00 0.00 46 L 9.08 4.42 0.00 1.59 1.60 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.73 3.91 0.00 1.78 1.81 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.44 7.81 48 E 8.33 3.99 0.00 2.24 2.21 0.00 0.00 0.00 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 2.42 0.00 49 D 7.69 4.42 0.00 2.90 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 50 I 7.49 3.87 2.01 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 1.67 0.82 0.90 0.00 0.00 51 L 8.01 4.07 0.00 1.85 1.74 0.93 0.68 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 52 N 8.05 4.65 0.00 2.97 2.88 0.00 0.00 6.49 7.50 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 53 Y 8.10 4.23 0.00 3.11 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.11 0.00 1.80 1.75 0.97 1.01 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 55 E 7.61 4.09 0.00 2.00 2.22 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 2.42 2.34 0.00 56 K 7.44 4.21 0.00 1.82 1.75 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.59 7.81 57 Q 7.77 3.68 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.00 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 58 T 8.26 4.10 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 1.24 0.00 0.00 59 G 7.37 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.41 4.30 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 61 I 8.00 4.28 1.86 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 1.45 0.68 0.90 0.00 0.00 62 L 8.02 4.77 0.00 1.70 1.60 0.92 0.76 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 63 P 0.00 4.56 0.00 2.20 2.11 0.00 3.76 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 1.98 1.95 0.00 64 P 0.00 4.26 0.00 2.20 2.22 0.00 3.88 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 1.98 1.95 0.00 65 S 8.53 3.57 0.00 4.07 4.05 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 0.00 0.00 0.00 66 G 8.06 4.08 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 0.00 67 P 0.00 4.32 0.00 2.19 2.19 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 68 S 7.91 4.14 0.00 3.85 3.83 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 69 S 8.32 4.59 0.00 3.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.54 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00