NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.8155 8.3501 109.7385 45.2451 0.0000 172.7883 6 A 3.9263 8.5820 124.0150 49.3424 18.4877 174.5231 7 P 3.6674 0.0000 0.0000 65.2654 32.0533 174.4940 8 A 4.4311 7.5331 117.0910 51.3595 21.9987 176.6084 9 K 4.5635 8.3543 122.9308 56.1427 32.8813 177.2765 10 S 4.6113 7.6040 110.8469 56.0557 65.9914 174.3438 11 P 4.2382 0.0000 0.0000 65.9310 31.1665 178.2508 12 E 3.9173 8.2345 117.2898 59.7159 29.5864 178.6870 13 E 4.1159 8.1962 117.5384 58.7808 29.4139 178.9849 14 M 4.0433 8.0699 119.0914 58.4790 32.2584 177.3005 15 Y 4.0316 8.3428 119.9949 60.8734 38.9377 178.0320 16 I 3.7774 7.8346 120.4420 64.5517 37.1626 178.0017 17 Q 3.9317 7.9055 119.9618 59.4897 28.7568 178.7106 18 Q 3.9142 8.2115 118.9693 58.7230 28.6857 178.3812 19 K 3.5882 8.4014 121.1261 59.3538 32.0741 178.8884 20 V 3.7378 8.1921 118.7583 66.0434 31.5200 177.8201 21 R 3.8626 7.7192 118.0598 59.5411 29.9220 178.5921 22 V 3.5557 8.0137 118.1903 66.0872 31.6283 178.0136 23 L 4.1346 8.1458 118.8690 57.6855 41.3799 179.5660 24 L 4.0554 8.1362 119.1937 57.8744 41.5220 179.4538 25 M 4.0334 8.1306 118.7258 58.1824 31.8314 178.2766 26 L 3.9115 8.3026 120.9466 58.4121 42.2094 179.1736 27 R 4.2718 8.0047 121.9720 59.4785 29.8353 179.2166 28 K 4.0704 7.8470 122.4832 59.7383 31.7351 180.0679 29 M 4.5468 7.8771 115.8240 55.9759 32.2165 177.1730 30 G 4.0341 8.0920 107.8288 45.1118 0.0000 174.2125 31 S 4.5352 7.7521 116.4638 57.6325 63.9827 173.5914 32 N 4.6272 8.4019 120.3274 52.7951 39.4530 174.7690 33 L 4.6985 7.9988 119.9255 53.5697 43.9892 177.0836 34 T 4.2602 8.6980 115.2177 61.1475 69.5053 175.6658 35 A 4.0569 8.5931 128.1192 56.0206 18.4084 180.5475 36 S 4.1716 8.1567 116.5505 63.8859 62.3026 178.3636 37 E 4.2691 8.1640 121.9278 59.0750 28.9543 178.9553 38 E 4.0082 8.4085 119.6466 59.1544 29.6383 178.5315 39 E 3.9605 8.4345 119.5323 59.0770 29.7510 178.3608 40 F 4.1628 8.3845 120.7700 61.6015 39.2457 177.1889 41 L 4.1587 8.1751 117.0196 57.7543 41.4021 179.4443 42 R 4.0880 7.4380 117.3245 59.3531 30.1828 178.7733 43 T 3.7331 7.8205 114.6150 65.3752 69.0371 174.0744 44 Y 4.6636 7.4105 117.9954 56.5987 38.9109 177.4141 45 A 4.3660 8.1321 123.5203 55.0331 18.4815 179.4418 46 G 3.6414 8.0863 103.9882 48.3314 0.0000 175.9550 47 V 3.6493 7.7384 120.9396 65.2683 31.3788 178.0265 48 V 3.6379 8.0622 117.8254 66.0209 31.6445 178.0057 49 S 4.2579 8.4471 115.1711 61.6370 61.7799 176.4252 50 S 4.2135 7.7078 118.2237 61.3855 62.3761 176.5816 51 Q 4.4498 7.4271 116.4594 56.2493 29.2044 176.2256 52 L 4.4802 7.7678 123.2215 58.4891 43.3109 178.1216 53 S 4.3505 7.9323 114.0189 60.2144 62.7857 177.1466 54 Q 4.3946 7.5828 116.5060 57.3907 29.6944 176.4932 55 L 4.8461 7.4715 116.8165 52.6798 41.8347 177.8107 56 P 4.5218 0.0000 0.0000 63.7643 32.8287 175.2929 57 Q 4.4976 7.2947 115.0167 55.9850 31.5846 167.0617 58 H 5.2515 8.4955 114.4366 57.4129 31.5377 172.6314 59 S 4.4232 7.6819 117.4186 61.1842 65.1870 169.5071 60 I 4.3491 8.0894 118.6444 61.9513 37.6454 169.2890 61 D 4.3427 8.5934 129.4934 54.7771 39.9338 176.2129 62 Q 4.6858 7.6232 120.3468 54.4175 32.6220 175.9269 63 A 4.5285 8.0715 114.8514 54.0079 22.3254 176.7251 64 A 4.5305 8.3334 117.6503 51.5943 20.0045 175.1088 65 E 3.8730 7.7154 122.4435 55.3849 31.2294 177.0069 66 D 4.8315 8.3896 119.7222 52.9042 42.2291 176.6643 67 V 4.2668 8.1885 123.2884 59.7588 33.3866 176.1887 68 V 4.0268 8.1472 125.1865 60.5755 30.8388 175.9806 69 M 3.8637 8.4483 123.6976 54.7289 31.7438 173.3852 70 A 4.6368 7.8747 125.4642 49.6457 21.2597 176.8519 71 F 4.6298 8.5624 121.3519 56.4336 40.5058 174.9507 72 S 4.7303 8.3738 123.1451 56.9304 65.6861 172.0334 73 R 4.0261 8.4801 118.5900 57.6219 26.9295 175.3442 74 S 4.4498 8.3381 118.2329 57.3613 63.7435 174.3401 75 E 4.1119 9.5877 127.8085 57.5797 29.0072 174.0811 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 G 8.35 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.58 3.93 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 7 P 0.00 3.67 0.00 2.18 2.05 0.00 3.85 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 2.00 2.01 0.00 8 A 7.53 4.43 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 9 K 8.35 4.56 0.00 1.77 1.83 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.41 7.81 10 S 7.60 4.61 0.00 3.99 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 11 P 0.00 4.24 0.00 2.17 2.16 0.00 3.62 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 2.12 2.16 0.00 12 E 8.23 3.92 0.00 2.01 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 2.41 2.44 0.00 13 E 8.20 4.12 0.00 2.09 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 2.34 2.32 0.00 14 M 8.07 4.04 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 15 Y 8.34 4.03 0.00 3.15 3.16 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 0.00 0.00 0.00 16 I 7.83 3.78 1.73 0.00 0.00 0.53 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 0.76 0.21 0.00 0.00 17 Q 7.91 3.93 0.00 2.46 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 18 Q 8.21 3.91 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 19 K 8.40 3.59 0.00 1.18 1.70 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.56 0.95 7.81 20 V 8.19 3.74 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 0.99 0.00 0.00 1.14 0.00 0.00 21 R 7.72 3.86 0.00 1.88 2.07 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 22 V 8.01 3.56 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 0.85 0.00 0.00 0.90 0.00 0.00 23 L 8.15 4.13 0.00 1.89 1.72 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.14 4.06 0.00 1.88 1.72 0.94 0.80 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 25 M 8.13 4.03 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 26 L 8.30 3.91 0.00 1.90 1.67 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.00 4.27 0.00 1.96 1.91 0.00 3.21 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 28 K 7.85 4.07 0.00 1.91 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.36 7.81 29 M 7.88 4.55 0.00 1.99 2.26 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 2.73 2.65 0.00 30 G 8.09 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.75 4.54 0.00 3.98 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.63 0.00 2.71 2.74 0.00 0.00 6.89 7.85 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 33 L 8.00 4.70 0.00 1.80 1.68 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.70 4.26 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 1.36 0.00 0.00 35 A 8.59 4.06 1.34 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 36 S 8.16 4.17 0.00 3.74 3.90 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 0.00 0.00 0.00 0.00 37 E 8.16 4.27 0.00 2.17 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 2.29 2.33 0.00 38 E 8.41 4.01 0.00 2.29 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 2.33 2.39 0.00 39 E 8.43 3.96 0.00 2.13 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 2.35 2.32 0.00 40 F 8.38 4.16 0.00 3.21 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 41 L 8.18 4.16 0.00 2.01 1.79 1.17 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.44 4.09 0.00 1.92 1.94 0.00 3.15 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 1.65 1.84 0.00 43 T 7.82 3.73 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 0.44 0.00 0.00 44 Y 7.41 4.66 0.00 2.75 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 45 A 8.13 4.37 1.34 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 46 G 8.09 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.65 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 1.11 0.00 0.00 0.94 0.00 0.00 48 V 8.06 3.64 2.24 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 0.91 0.00 0.00 1.10 0.00 0.00 49 S 8.45 4.26 0.00 4.02 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 50 S 7.71 4.21 0.00 3.98 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 51 Q 7.43 4.45 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 52 L 7.77 4.48 0.00 1.96 1.79 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.93 4.35 0.00 3.67 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 54 Q 7.58 4.39 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.35 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 55 L 7.47 4.85 0.00 1.61 1.45 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.52 0.00 2.14 2.25 0.00 3.91 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 57 Q 7.29 4.50 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.73 0.00 0.00 0.00 0.00 0.00 2.03 1.73 0.00 58 H 8.50 5.25 0.00 3.11 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.68 4.42 0.00 3.58 3.62 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 60 I 8.09 4.35 1.87 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 1.27 0.87 0.91 0.00 0.00 61 D 8.59 4.34 0.00 2.69 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.62 4.69 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 63 A 8.07 4.53 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.33 4.53 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 65 E 7.72 3.87 0.00 1.94 1.95 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 2.32 2.44 0.00 66 D 8.39 4.83 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 4.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.90 0.00 0.00 68 V 8.15 4.03 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 0.70 0.00 0.00 0.94 0.00 0.00 69 M 8.45 3.86 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.12 0.00 70 A 7.87 4.64 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.56 4.63 0.00 3.00 2.93 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 72 S 8.37 4.73 0.00 3.59 3.61 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 0.00 0.00 0.00 0.00 73 R 8.48 4.03 0.00 1.99 1.86 0.00 3.17 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.00 74 S 8.34 4.45 0.00 3.81 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 75 E 9.59 4.11 0.00 2.14 1.99 0.00 0.00 0.00 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 2.30 0.00