NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1471 8.0093 121.4510 60.3480 38.4933 175.4016 6 P 4.2741 0.0000 0.0000 61.0394 32.0047 173.2837 7 P 4.0985 0.0000 0.0000 64.5177 32.5928 178.3607 8 G 4.2840 9.0195 110.4905 45.6248 0.0000 174.8375 9 L 3.9366 7.6828 120.8920 58.5026 42.0231 178.9831 10 T 3.9042 7.9249 115.1620 66.7395 68.5338 176.2851 11 E 4.0383 8.1620 119.9525 59.3589 29.7026 179.2400 12 L 4.2466 8.0854 119.0254 57.9107 41.6908 179.6284 13 L 4.1739 8.2499 119.0438 57.8279 41.5133 179.3747 14 Q 4.0818 8.6656 120.1109 59.0336 28.8943 178.4036 15 G 3.8455 8.2947 108.1468 47.4241 0.0000 175.0168 16 Y 2.8855 7.8162 121.8891 60.2418 38.8346 178.0973 17 T 3.6903 8.1398 116.9685 66.6425 68.5152 177.0929 18 V 3.6267 8.1049 121.3645 64.7926 31.2592 178.2975 19 E 3.8981 7.8686 119.2173 58.9274 29.2590 179.2817 20 V 2.9932 7.4945 118.5049 65.8834 31.2890 178.1824 21 L 3.9156 7.5134 117.4292 57.6628 41.4730 179.4487 22 R 4.0185 8.0222 117.6183 58.8894 30.1908 178.2635 23 Q 4.1660 8.1061 115.8759 54.7979 30.7382 175.6609 24 Q 3.2810 7.7297 118.0982 56.0859 26.4449 172.0380 25 P 4.2827 0.0000 0.0000 61.8358 32.5422 175.8952 26 P 4.3200 0.0000 0.0000 64.9809 31.8062 177.0316 27 D 4.7189 7.7789 116.8503 51.5402 44.4480 175.6338 28 L 4.2095 8.6640 127.1499 58.1238 41.7395 179.8721 29 V 3.8037 7.9278 111.8781 64.1866 31.6731 177.9779 30 D 4.4479 8.7873 119.0597 57.6209 40.7477 178.8152 31 F 4.5344 8.7636 121.9633 60.6681 39.3393 176.9334 32 A 4.0804 8.4659 120.5125 55.1932 18.2387 179.6603 33 V 3.6161 8.1414 116.9346 66.2589 31.1477 178.0406 34 E 3.8938 8.2692 118.1353 59.5423 29.0528 178.7597 35 Y 3.6530 8.1080 119.5999 60.7659 38.8234 178.1859 36 F 4.2396 8.2345 118.5240 60.4544 38.9054 178.0508 37 T 3.8936 7.9580 115.7877 66.5562 68.2043 176.7586 38 R 3.8300 7.8752 119.9435 59.2585 29.9809 179.0722 39 L 3.8093 7.5070 118.4845 57.7530 41.3974 179.4809 40 R 3.8871 7.8285 117.2764 59.6693 30.0697 178.1399 41 E 4.0799 8.2074 117.0947 59.2250 29.5080 178.9105 42 A 4.1596 8.1692 122.5933 55.0903 18.4678 178.7512 43 R 4.2495 7.5995 123.0328 58.7333 29.7626 180.3658 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 I 8.01 4.15 1.88 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 1.47 1.07 0.92 0.00 0.00 6 P 0.00 4.27 0.00 2.29 2.17 0.00 3.71 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 2.07 2.04 0.00 7 P 0.00 4.10 0.00 2.06 2.06 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 8 G 9.02 4.28 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 0.00 9 L 7.68 3.94 0.00 1.82 1.68 0.92 0.79 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 10 T 7.92 3.90 4.27 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 1.24 0.00 0.00 11 E 8.16 4.04 0.00 2.28 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 0.00 2.44 2.50 0.00 12 L 8.09 4.25 0.00 1.97 1.96 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.25 4.17 0.00 1.89 1.80 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.67 4.08 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 15 G 8.29 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 16 Y 7.82 2.89 0.00 2.51 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 17 T 8.14 3.69 4.29 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 1.20 0.00 0.00 18 V 8.10 3.63 2.12 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 0.97 0.00 0.00 0.91 0.00 0.00 19 E 7.87 3.90 0.00 1.99 2.23 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 2.57 2.70 0.00 20 V 7.49 2.99 1.88 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 0.82 0.00 0.00 0.25 0.00 0.00 21 L 7.51 3.92 0.00 1.73 1.65 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.02 4.02 0.00 1.75 1.94 0.00 3.30 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 23 Q 8.11 4.17 0.00 1.69 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 24 Q 7.73 3.28 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 25 P 0.00 4.28 0.00 1.99 1.31 0.00 3.49 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.81 0.00 26 P 0.00 4.32 0.00 2.07 2.15 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 27 D 7.78 4.72 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.66 4.21 0.00 1.84 1.91 0.98 1.00 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 29 V 7.93 3.80 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.98 0.00 0.00 30 D 8.79 4.45 0.00 2.97 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 31 F 8.76 4.53 0.00 3.25 3.35 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 32 A 8.47 4.08 1.45 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 0.00 0.00 33 V 8.14 3.62 2.27 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 1.06 0.00 0.00 1.01 0.00 0.00 34 E 8.27 3.89 0.00 2.13 1.94 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 2.35 2.42 0.00 35 Y 8.11 3.65 0.00 1.98 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 4.24 0.00 3.32 3.04 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 37 T 7.96 3.89 4.37 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 1.20 0.00 0.00 38 R 7.88 3.83 0.00 1.79 1.82 0.00 2.96 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 1.58 1.72 0.00 39 L 7.51 3.81 0.00 1.83 1.66 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.83 3.89 0.00 1.88 2.13 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 41 E 8.21 4.08 0.00 2.08 1.97 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 2.52 2.45 0.00 42 A 8.17 4.16 1.32 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 43 R 7.60 4.25 0.00 1.89 1.70 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00