NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3811 8.2493 123.5822 52.0410 19.8280 176.0704 2 V 4.3542 7.9894 121.8487 57.3160 34.5376 173.4683 3 Q 3.9812 9.4090 120.8699 57.1124 29.6155 178.3793 4 Q 4.3355 8.5881 118.0321 57.0339 29.8433 175.8880 5 N 5.0538 7.6592 112.7943 50.5263 42.2453 173.9202 6 K 4.0174 8.5632 122.6524 55.6806 32.7498 175.0476 7 P 4.3615 0.0000 0.0000 62.6027 32.0926 176.4662 8 T 4.1427 8.2856 112.3798 61.2435 69.4918 175.5660 9 R 4.0205 8.4178 119.3898 58.8412 29.4628 178.7303 10 S 4.1077 7.7502 113.5083 60.9634 62.2878 175.8027 11 K 3.9652 8.1727 122.6977 59.2555 31.8668 178.2057 12 R 3.9771 8.2361 118.4553 59.6858 29.5505 177.9194 13 G 3.9590 7.6717 104.8823 48.5185 0.0000 175.0038 14 M 4.1917 8.0067 121.5384 57.7108 31.7602 178.6029 15 R 3.9413 8.4295 118.3333 59.6911 30.4404 177.9709 16 R 4.6048 8.3556 117.0685 55.9549 29.7149 178.4457 17 S 4.2221 8.1831 116.3713 60.7177 62.6093 174.3848 18 H 4.8546 7.8296 117.7428 55.6763 29.9419 175.3151 19 D 4.4674 8.0826 119.9703 55.7934 40.8336 176.3393 20 A 4.0897 7.3466 122.4435 51.8148 18.7959 177.5865 21 L 4.2765 8.3377 122.1826 54.9412 42.5274 176.4195 22 T 4.5072 8.0626 116.2426 61.5588 70.5382 174.7651 23 A 4.2598 8.3417 128.8203 51.7971 19.6114 177.8496 24 V 3.6247 8.3584 119.2610 66.2501 31.8660 178.3306 25 T 3.6986 8.0497 113.4179 62.4695 68.3256 172.6786 26 S 4.5219 8.3236 115.8071 57.8704 62.3422 172.8157 27 L 5.0640 7.2688 118.3962 54.1283 42.4661 175.3384 28 S 4.7037 8.5091 113.9136 57.0107 67.1093 172.1451 29 V 4.8243 8.0740 118.4238 61.0104 33.6058 174.9333 30 D 4.5458 9.4552 128.1241 53.5335 41.5932 177.2507 31 K 3.9592 8.7679 125.8878 59.3858 32.3820 177.4754 32 T 4.3233 7.8785 115.3646 63.3020 70.4847 173.9630 33 S 4.4579 7.4285 113.5687 55.1671 66.3086 174.2481 34 G 3.3200 8.7651 106.4129 46.8490 0.0000 173.2437 35 E 3.6175 9.0330 126.0932 56.1826 27.1138 174.4312 36 K 4.8133 8.2588 121.6882 56.4276 33.5819 175.7568 37 H 4.6099 8.6170 114.4500 54.8513 32.0312 173.8882 38 L 4.4371 8.1707 120.6125 54.5471 42.8512 176.7089 39 R 4.1132 7.7915 123.1754 58.3159 30.4148 176.3903 40 H 5.1366 9.1582 119.6745 57.1624 26.1007 174.0554 41 H 4.9185 8.2705 115.8716 53.3736 31.3647 174.1633 42 I 3.9927 8.0696 123.1069 61.8413 37.6444 176.4530 43 T 4.2881 8.8624 115.0892 60.8971 69.8340 175.5192 44 A 4.0035 8.7909 126.1060 55.8360 18.3198 179.1381 45 D 4.4969 8.0292 112.7105 55.8638 40.9569 177.0558 46 G 3.8458 9.0680 108.5383 46.4357 0.0000 172.8318 47 Y 4.4948 8.7135 116.4206 56.3796 40.8783 175.6570 48 Y 4.6445 8.7389 121.6730 58.3259 40.2032 174.4627 49 R 3.4749 8.6115 129.0382 56.9770 27.5961 178.1722 50 G 3.4761 8.1353 110.1336 45.4606 0.0000 176.2428 51 R 3.1963 8.8410 118.1878 56.8202 27.3842 174.9456 52 K 3.4525 8.4096 126.2306 56.3373 31.9727 176.5663 53 V 3.8918 7.4433 122.8135 62.4159 34.0685 177.4711 54 I 3.0799 7.9730 112.1155 63.1042 33.0474 174.6247 55 A 4.0608 8.1212 131.3789 54.2149 18.7412 177.9047 56 K 4.1523 7.4107 118.4959 56.7318 32.1187 176.7788 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 A 8.25 4.38 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 2 V 7.99 4.35 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 0.79 0.00 0.00 0.93 0.00 0.00 3 Q 9.41 3.98 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 4 Q 8.59 4.34 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 5 N 7.66 5.05 0.00 2.63 2.66 0.00 0.00 6.84 7.61 0.00 0.00 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 K 8.56 4.02 0.00 1.71 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 7 P 0.00 4.36 0.00 2.08 1.97 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 8 T 8.29 4.14 4.24 0.00 0.00 0.00 0.00 0.00 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 9 R 8.42 4.02 0.00 2.02 2.23 0.00 3.12 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 10 S 7.75 4.11 0.00 3.95 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 11 K 8.17 3.97 0.00 1.91 1.78 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.48 7.81 12 R 8.24 3.98 0.00 1.91 2.10 0.00 3.27 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 13 G 7.67 3.96 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 0.00 0.00 0.00 14 M 8.01 4.19 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.53 0.00 15 R 8.43 3.94 0.00 1.85 2.17 0.00 3.26 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 16 R 8.36 4.60 0.00 2.02 1.92 0.00 3.19 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.49 0.00 17 S 8.18 4.22 0.00 3.90 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 18 H 7.83 4.85 0.00 3.20 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.08 4.47 0.00 2.87 2.72 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 20 A 7.35 4.09 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 21 L 8.34 4.28 0.00 1.65 1.63 0.92 0.84 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 T 8.06 4.51 4.24 0.00 0.00 0.00 0.00 0.00 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 23 A 8.34 4.26 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.36 3.62 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 0.98 0.00 0.00 0.93 0.00 0.00 25 T 8.05 3.70 4.24 0.00 0.00 0.00 0.00 0.00 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 26 S 8.32 4.52 0.00 3.93 3.84 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 27 L 7.27 5.06 0.00 1.80 1.62 0.91 0.69 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 28 S 8.51 4.70 0.00 3.78 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 29 V 8.07 4.82 2.06 0.00 0.00 0.00 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 0.91 0.00 0.00 30 D 9.46 4.55 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.77 3.96 0.00 1.87 1.92 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.45 7.81 32 T 7.88 4.32 4.21 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 0.00 0.00 1.13 0.00 0.00 33 S 7.43 4.46 0.00 3.67 2.97 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 34 G 8.77 3.32 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 0.00 0.00 0.00 0.00 35 E 9.03 3.62 0.00 2.14 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 2.28 2.16 0.00 36 K 8.26 4.81 0.00 1.65 1.75 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 37 H 8.62 4.61 0.00 3.26 3.42 0.00 5.46 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.17 4.44 0.00 1.51 1.56 0.72 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.79 4.11 0.00 1.66 1.87 0.00 3.34 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.34 0.00 40 H 9.16 5.14 0.00 3.49 3.56 0.00 5.94 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.27 4.92 0.00 3.39 3.25 0.00 5.86 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 42 I 8.07 3.99 1.83 0.00 0.00 0.68 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 0.65 0.91 0.00 0.00 43 T 8.86 4.29 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 A 8.79 4.00 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 45 D 8.03 4.50 0.00 3.18 2.97 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 46 G 9.07 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 0.00 0.00 0.00 47 Y 8.71 4.49 0.00 3.03 2.98 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 48 Y 8.74 4.64 0.00 2.91 2.85 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 49 R 8.61 3.47 0.00 1.81 1.88 0.00 2.63 0.00 0.00 2.83 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 50 G 8.14 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 3.20 0.00 1.89 2.04 0.00 3.27 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 52 K 8.41 3.45 0.00 0.79 1.57 0.00 0.85 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.19 1.04 7.81 53 V 7.44 3.89 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 0.78 0.00 0.00 0.98 0.00 0.00 54 I 7.97 3.08 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 0.89 0.00 0.00 55 A 8.12 4.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.41 4.15 0.00 1.81 1.71 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.36 7.81