NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2697 8.1744 117.3723 63.6073 70.9713 173.2146 4 Q 4.0552 7.7507 122.7265 55.4718 29.8654 175.1036 5 L 4.4392 9.4427 126.0224 53.7590 45.2422 176.9670 6 M 4.1817 8.0215 121.9447 58.3486 32.0657 178.9540 7 G 3.7382 7.5377 107.2915 47.1745 0.0000 175.4409 8 E 4.0141 8.1745 120.3634 59.5535 29.5443 179.5770 9 R 4.0401 7.7888 118.0430 59.0340 29.9369 179.2376 10 I 3.7667 7.9595 119.8799 64.4756 37.1713 178.4758 11 R 4.1434 8.4890 120.6725 58.6899 29.9509 178.2753 12 A 4.0249 8.0873 120.6902 55.4493 18.2046 179.9194 13 R 3.9616 8.0116 115.2482 59.2877 30.2741 179.0048 14 R 4.0742 8.4046 118.9471 59.3785 30.2355 178.7777 15 K 4.0258 8.6435 118.6404 59.0746 31.7248 179.2499 16 K 4.0274 7.7472 119.1357 59.2171 32.2143 178.4424 17 L 4.1555 7.6114 117.9247 54.8344 41.7241 177.1119 18 K 3.8799 7.5799 116.8693 57.2093 30.1741 175.1685 19 I 4.4401 7.5547 110.1324 59.2354 40.1286 175.7778 20 R 4.2826 8.0725 120.1071 55.4906 32.2142 177.6285 21 Q 3.9855 8.6866 119.2676 59.4722 28.5930 179.5899 22 A 3.9418 7.9589 120.6509 55.0930 18.6263 179.2702 23 A 3.9302 7.9573 118.7967 55.2285 18.5099 179.5221 24 L 4.0196 7.9483 118.5224 58.0896 42.1852 179.0850 25 G 3.6822 8.4482 106.2084 47.9258 0.0000 175.2117 26 K 3.8972 8.0920 121.3286 59.6279 32.2313 178.4145 27 M 4.1994 7.8307 117.2482 57.9790 31.8930 178.2239 28 V 4.0697 7.6648 117.2604 62.8251 32.1307 176.2900 29 G 3.9211 9.3129 106.4670 45.8467 0.0000 172.9468 30 V 4.4953 7.2999 110.8034 58.1475 35.9776 175.8011 31 S 4.4240 8.1009 116.1471 57.7723 65.1537 174.7313 32 N 4.2072 8.4934 120.0175 56.0696 36.7580 177.4488 33 V 3.4453 7.6046 119.8380 65.6294 31.6523 177.5524 34 A 3.9664 7.4684 121.6266 54.4056 17.9842 179.3202 35 I 3.2078 6.7709 118.1951 64.6284 37.2126 178.1953 36 S 4.0496 7.9316 113.4722 61.7828 62.0293 176.4091 37 Q 3.9931 8.1328 120.5633 58.7505 28.4653 178.8264 38 W 4.8118 8.1712 121.6611 59.5586 29.2601 178.5150 39 E 4.3210 8.7144 118.7378 59.0270 28.6762 178.6027 40 R 4.4279 7.8550 115.3172 55.4217 30.3855 176.7446 41 S 3.8799 7.9459 113.5026 59.3897 61.1560 172.6919 42 E 4.0968 8.3765 123.8385 58.8615 29.4902 176.6546 43 T 4.8601 7.7342 106.4196 59.9563 72.2600 171.8689 44 E 4.6447 8.3713 120.3824 53.3068 32.4637 174.6493 45 P 3.9917 0.0000 0.0000 62.3906 31.8961 176.8367 46 N 4.7684 8.4509 118.5849 52.0878 40.1434 176.1597 47 G 3.4699 8.4009 105.8058 48.1300 0.0000 175.3292 48 E 3.9481 8.1074 121.9190 59.0632 29.7117 178.5274 49 N 4.4733 9.2058 116.8444 55.8865 38.5103 177.1637 50 L 3.6509 8.1532 122.3245 58.0945 42.0571 179.0653 51 L 3.9293 7.8165 118.5464 57.8361 41.5860 179.4674 52 A 4.0351 8.0526 120.7331 54.8785 18.1986 179.4158 53 L 4.0060 8.4584 119.6379 58.3999 42.1874 179.4374 54 S 4.1418 8.3445 114.4498 61.2268 62.8751 176.5814 55 K 3.9167 7.9328 121.6411 59.3694 31.6717 179.1526 56 A 4.0681 7.9258 119.3600 54.7844 18.3752 178.7789 57 L 4.2566 8.0478 115.0904 54.0744 42.6994 176.4537 58 Q 3.5113 8.0205 117.3172 56.5338 26.4472 171.9160 59 C 4.6952 8.1441 110.9009 56.1060 33.4296 173.7763 60 S 4.7050 8.2700 114.0567 56.7660 65.5684 173.1128 61 P 4.2684 0.0000 0.0000 65.8871 30.9812 178.8116 62 D 4.3204 8.0450 117.3768 57.2791 40.7806 177.7669 63 Y 4.2297 8.0178 120.0586 60.7791 38.4737 178.1280 64 L 3.7321 7.7153 119.3010 57.9086 41.5509 179.7391 65 L 4.0253 7.8012 117.5392 56.7842 41.7400 178.1049 66 K 4.2982 8.7835 114.0921 55.5872 33.8728 176.1616 67 G 3.4268 7.5273 105.8745 45.1463 0.0000 173.3831 68 D 4.8559 8.5160 117.2293 54.9659 41.0284 173.9602 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 3 T 8.17 4.27 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 4 Q 7.75 4.06 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 5 L 9.44 4.44 0.00 1.66 1.54 0.92 0.61 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 6 M 8.02 4.18 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 7 G 7.54 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 8 E 8.17 4.01 0.00 2.16 2.02 0.00 0.00 0.00 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 2.41 0.00 9 R 7.79 4.04 0.00 1.81 1.86 0.00 2.21 0.00 0.00 2.87 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 10 I 7.96 3.77 2.10 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 1.44 0.82 1.08 0.00 0.00 11 R 8.49 4.14 0.00 1.93 1.96 0.00 3.17 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 12 A 8.09 4.02 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 13 R 8.01 3.96 0.00 1.89 2.07 0.00 3.38 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 14 R 8.40 4.07 0.00 1.92 2.09 0.00 3.27 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 15 K 8.64 4.03 0.00 1.92 1.86 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.61 7.81 16 K 7.75 4.03 0.00 1.94 2.00 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.52 7.81 17 L 7.61 4.16 0.00 1.77 1.72 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.58 3.88 0.00 1.94 1.89 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.36 7.81 19 I 7.55 4.44 1.88 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 1.43 0.63 0.98 0.00 0.00 20 R 8.07 4.28 0.00 1.92 1.88 0.00 3.20 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 21 Q 8.69 3.99 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 22 A 7.96 3.94 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 23 A 7.96 3.93 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 24 L 7.95 4.02 0.00 1.84 1.85 0.99 0.90 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 25 G 8.45 3.68 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 0.00 0.00 0.00 26 K 8.09 3.90 0.00 1.85 2.03 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 27 M 7.83 4.20 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.56 0.00 28 V 7.66 4.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.09 0.00 0.00 29 G 9.31 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 0.00 0.00 0.00 30 V 7.30 4.50 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 0.93 0.00 0.00 0.67 0.00 0.00 31 S 8.10 4.42 0.00 3.97 3.93 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 32 N 8.49 4.21 0.00 2.88 3.07 0.00 0.00 5.56 7.68 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 33 V 7.60 3.45 1.98 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 1.05 0.00 0.00 0.87 0.00 0.00 34 A 7.47 3.97 0.74 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 35 I 6.77 3.21 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.92 0.00 0.00 36 S 7.93 4.05 0.00 4.05 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 37 Q 8.13 3.99 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 38 W 8.17 4.81 0.00 3.50 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.71 4.32 0.00 2.04 2.04 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 2.42 2.62 0.00 40 R 7.85 4.43 0.00 1.89 1.97 0.00 3.31 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 41 S 7.95 3.88 0.00 4.06 3.97 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 42 E 8.38 4.10 0.00 1.97 2.16 0.00 0.00 0.00 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 2.27 0.00 43 T 7.73 4.86 4.41 0.00 0.00 0.00 0.00 0.00 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 44 E 8.37 4.64 0.00 1.87 1.72 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 2.16 2.24 0.00 45 P 0.00 3.99 0.00 1.56 0.49 0.00 3.32 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.00 46 N 8.45 4.77 0.00 3.02 3.06 0.00 0.00 6.03 6.94 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 47 G 8.40 3.47 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 0.00 0.00 0.00 48 E 8.11 3.95 0.00 2.05 1.98 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 2.41 2.42 0.00 49 N 9.21 4.47 0.00 2.83 3.08 0.00 0.00 6.67 6.60 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 50 L 8.15 3.65 0.00 1.59 1.72 0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.82 3.93 0.00 1.71 1.70 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.05 4.04 1.37 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 0.00 0.00 0.00 53 L 8.46 4.01 0.00 1.85 1.81 1.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.34 4.14 0.00 4.18 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 55 K 7.93 3.92 0.00 1.95 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.67 7.81 56 A 7.93 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.05 4.26 0.00 1.71 1.77 1.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.02 3.51 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 59 C 8.14 4.70 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.27 4.71 0.00 4.09 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 61 P 0.00 4.27 0.00 2.16 2.11 0.00 3.61 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 2.10 2.17 0.00 62 D 8.04 4.32 0.00 2.79 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 63 Y 8.02 4.23 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.72 3.73 0.00 1.80 1.62 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.80 4.03 0.00 1.79 1.66 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.78 4.30 0.00 1.72 1.81 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.48 7.81 67 G 7.53 3.43 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 0.00 0.00 0.00 68 D 8.52 4.86 0.00 2.88 2.71 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