NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7279 8.2676 118.1248 52.9745 39.5720 174.9080 6 P 4.3850 0.0000 0.0000 63.8479 32.4790 177.1258 7 C 4.5564 8.1410 115.9138 57.1876 41.8702 173.8440 8 C 5.0820 7.4402 117.7851 57.2736 34.1344 172.7205 9 D 4.5590 9.0256 126.8299 52.9223 40.4121 176.8531 10 A 4.0378 8.5061 130.1863 54.3280 18.7639 178.2092 11 A 4.1822 8.1932 118.9377 54.3205 18.6274 178.3087 12 T 4.4433 7.6075 103.2424 60.3178 70.5082 173.5133 13 C 4.2453 8.0911 121.3924 60.5993 30.7045 172.2811 14 K 4.7377 7.0829 113.0725 53.8170 34.7631 176.5735 15 L 4.6357 8.5241 123.4839 55.3500 42.3191 177.2890 16 T 4.2309 8.7343 113.1636 60.3687 70.6040 172.2571 17 P 4.2334 0.0000 0.0000 64.7284 31.5846 177.0444 18 G 3.9463 8.9923 111.5803 45.2412 0.0000 173.3528 19 S 4.5646 8.0872 117.0720 57.9037 63.7211 174.8919 20 Q 4.0705 8.6725 123.6815 56.6421 29.6932 172.9960 21 C 4.8119 7.4842 110.3590 54.5895 44.5594 173.8676 22 A 4.3207 8.5845 121.6704 53.2953 20.1689 176.8768 23 E 4.6764 7.7640 113.4441 53.7496 32.9285 174.3347 24 G 4.3411 8.2978 115.8795 44.8824 0.0000 173.3229 25 L 4.0932 8.1919 119.8048 57.0808 41.8369 178.9915 26 C 5.0179 8.6441 116.6481 56.6295 40.8272 172.1408 27 C 5.5304 8.0776 119.0293 54.7456 46.5480 172.7880 28 D 4.5804 8.9562 125.7219 53.6107 43.3495 175.1965 29 Q 3.5762 9.6517 127.3795 57.4772 26.4805 175.1696 30 C 4.7429 8.1742 109.8808 57.3915 37.3569 173.2291 31 K 4.7688 7.5901 119.0929 53.8873 34.6351 175.5310 32 F 5.0507 8.5009 121.2603 57.8374 39.5179 175.5891 33 I 3.9601 8.9588 124.8606 60.8679 37.9932 175.5304 34 K 4.1465 8.8861 126.7184 56.5549 33.0985 175.8203 35 A 4.2635 8.7038 129.3924 53.8754 18.6694 177.0170 36 G 4.0382 8.7227 110.4570 45.4300 0.0000 174.5692 37 K 4.1069 7.7761 122.5163 56.2683 33.2298 176.3295 38 I 4.4131 8.5169 128.9008 61.9003 36.9621 174.5558 39 C 5.0007 9.2853 121.1373 55.5570 44.4514 174.2843 40 R 4.8034 7.8029 119.2347 54.9534 33.2972 173.8687 41 R 4.8441 8.7432 124.9081 55.6512 31.2074 175.8667 42 A 4.7478 8.9799 125.6518 50.8614 19.9713 177.7417 43 R 4.0162 8.6508 119.5607 57.1205 31.6260 178.0485 44 G 3.9074 8.3874 107.8714 46.8507 0.0000 174.1120 45 D 4.6951 8.5442 122.3456 54.0253 41.5547 176.4794 46 N 4.3461 7.2809 117.7551 52.4113 39.0645 173.1336 47 P 4.2411 0.0000 0.0000 63.0089 31.8972 176.1219 48 D 4.4866 8.4522 122.6665 54.5302 41.9261 175.3566 49 Y 4.5346 8.8810 118.8534 57.5979 39.5003 175.0634 50 R 5.1676 8.4229 120.8424 54.1843 34.3633 175.8847 51 C 4.4908 9.1457 120.3821 57.8736 40.9629 174.9649 52 T 3.7716 8.6675 111.5888 61.7245 69.1707 176.0619 53 G 4.1943 8.2143 109.6310 45.7887 0.0000 173.7330 54 Q 4.0876 7.6071 116.2651 54.8227 30.0962 174.9429 55 S 3.9868 6.4188 110.6060 56.8438 65.1731 174.5363 56 G 3.9485 8.8420 114.1395 46.9125 0.0000 173.0041 57 D 5.0530 7.7432 119.8348 52.4281 42.6451 175.3969 58 C 4.4230 8.4922 122.5563 55.4352 44.1949 171.8970 59 P 4.5544 0.0000 0.0000 62.7520 31.5217 176.7570 60 R 3.9241 8.4612 118.4329 57.9005 30.3983 176.7368 61 K 4.7941 7.9232 117.5271 54.5741 34.8274 175.2206 62 H 4.4715 8.3228 117.1315 55.6960 28.5447 173.3238 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 5 N 8.27 4.73 0.00 2.77 2.85 0.00 0.00 6.77 7.15 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 6 P 0.00 4.39 0.00 2.24 2.16 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 7 C 8.14 4.56 0.00 2.99 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 8 C 7.44 5.08 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.03 4.56 0.00 2.68 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 10 A 8.51 4.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.18 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 12 T 7.61 4.44 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 13 C 8.09 4.25 0.00 3.09 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 14 K 7.08 4.74 0.00 1.76 1.66 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.52 7.81 15 L 8.52 4.64 0.00 1.50 1.57 0.97 0.91 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 16 T 8.73 4.23 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 1.28 0.00 0.00 17 P 0.00 4.23 0.00 2.04 2.05 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 18 G 8.99 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 0.00 0.00 0.00 19 S 8.09 4.56 0.00 3.92 3.71 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 0.00 0.00 0.00 0.00 20 Q 8.67 4.07 0.00 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.64 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 21 C 7.48 4.81 0.00 3.14 3.34 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 22 A 8.58 4.32 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 23 E 7.76 4.68 0.00 1.89 1.78 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 2.20 2.31 0.00 24 G 8.30 4.34 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 0.00 25 L 8.19 4.09 0.00 1.64 1.75 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.64 5.02 0.00 3.03 3.06 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 0.00 0.00 0.00 0.00 27 C 8.08 5.53 0.00 2.98 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.96 4.58 0.00 2.73 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.65 3.58 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.08 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 30 C 8.17 4.74 0.00 3.11 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 31 K 7.59 4.77 0.00 1.84 1.62 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.47 7.81 32 F 8.50 5.05 0.00 2.95 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 33 I 8.96 3.96 1.92 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 1.15 1.24 0.94 0.00 0.00 34 K 8.89 4.15 0.00 1.87 1.72 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.49 7.81 35 A 8.70 4.26 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 36 G 8.72 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 0.00 0.00 0.00 37 K 7.78 4.11 0.00 1.83 1.72 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 38 I 8.52 4.41 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.99 0.00 0.00 39 C 9.29 5.00 0.00 2.93 3.19 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 0.00 0.00 0.00 0.00 40 R 7.80 4.80 0.00 1.80 1.78 0.00 2.65 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 41 R 8.74 4.84 0.00 1.78 1.88 0.00 3.27 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 42 A 8.98 4.75 1.21 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 0.00 0.00 0.00 43 R 8.65 4.02 0.00 1.89 1.88 0.00 3.43 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 44 G 8.39 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 0.00 0.00 0.00 45 D 8.54 4.70 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.28 4.35 0.00 2.60 2.58 0.00 0.00 6.92 7.90 0.00 0.00 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 P 0.00 4.24 0.00 1.65 1.85 0.00 3.30 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 48 D 8.45 4.49 0.00 2.53 2.74 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 49 Y 8.88 4.53 0.00 3.01 2.89 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 50 R 8.42 5.17 0.00 1.65 1.70 0.00 3.21 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 51 C 9.15 4.49 0.00 2.87 3.01 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 0.00 0.00 0.00 52 T 8.67 3.77 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 1.17 0.00 0.00 53 G 8.21 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.61 4.09 0.00 1.81 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 55 S 6.42 3.99 0.00 3.55 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.84 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 0.00 0.00 0.00 57 D 7.74 5.05 0.00 2.65 2.57 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 58 C 8.49 4.42 0.00 2.91 2.92 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 59 P 0.00 4.55 0.00 2.28 2.05 0.00 3.86 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 60 R 8.46 3.92 0.00 1.82 2.01 0.00 3.13 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 61 K 7.92 4.79 0.00 1.71 1.70 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.38 7.81 62 H 8.32 4.47 0.00 2.87 2.46 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00