NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 3.9063 8.0244 121.4517 61.7577 37.8902 174.1234 10 D 3.9419 8.6528 123.8781 52.7317 39.2605 171.3990 11 P 4.9081 0.0000 0.0000 61.4802 32.0133 174.1653 12 R 4.4716 7.1569 117.5918 55.6547 32.4433 176.0759 13 I 4.2638 7.9799 116.8923 61.7256 36.6668 174.9292 14 H 4.7657 7.6351 119.4571 53.8203 29.4567 171.4627 15 Y 4.1741 8.3043 126.3498 56.9674 38.5609 169.7522 16 L 4.1561 7.6023 118.6081 55.7359 43.7570 177.7593 17 V 3.8237 7.5294 119.4539 60.5146 31.9177 173.8208 18 P 4.8385 0.0000 0.0000 61.8058 33.1266 175.8508 19 K 4.2794 8.4585 120.1953 56.6298 32.9415 175.9057 20 H 5.0757 8.9277 122.7836 54.9003 30.2921 174.7442 21 E 4.7883 8.6037 120.5212 54.5561 33.4897 175.6046 22 V 4.2763 8.5177 123.0593 62.6250 32.9379 174.7703 23 L 4.8733 7.7225 123.4975 52.5384 44.1073 177.0437 24 S 4.1933 8.7788 119.2940 58.7806 63.6009 175.3272 25 I 3.6782 8.6775 125.4129 64.9789 36.4133 178.0459 26 D 4.3330 8.0659 119.1482 57.4536 40.6926 178.3717 27 E 4.0002 8.1519 116.8128 58.7172 29.9973 178.4859 28 A 3.8557 8.2597 122.4339 54.9046 18.3460 178.8624 29 Y 3.9772 7.8740 117.9858 60.8987 38.9617 178.4006 30 K 3.9587 7.7303 119.7238 58.7929 32.1018 178.8570 31 I 3.6927 7.0684 120.1125 64.4319 37.2727 177.9858 32 L 4.0165 7.7502 118.6717 56.3833 40.8619 178.9328 33 K 3.9222 7.4988 119.6469 58.5821 32.1629 178.3134 34 E 3.9822 7.4175 117.6246 59.2561 29.4982 178.9665 35 L 4.1327 8.2681 118.4724 54.9414 42.9131 177.1287 36 G 3.9254 7.4539 106.1794 46.1336 0.0000 172.5435 37 I 4.7880 7.7041 109.5519 58.8313 41.7025 176.1631 38 R 4.1402 8.6857 120.7950 55.3438 30.6660 176.4018 39 P 4.3330 0.0000 0.0000 64.9724 31.5437 177.3735 40 E 4.1223 7.6752 117.1989 56.8624 29.4766 176.6518 41 Q 4.4116 7.7399 117.0622 56.0412 29.3281 175.9995 42 L 4.5044 7.5006 118.4976 53.0487 42.7846 175.8705 43 P 3.9821 0.0000 0.0000 63.9117 31.4256 177.7635 44 W 4.4857 8.1848 112.6980 57.0417 28.9163 173.5344 45 I 4.8141 7.9700 118.5890 59.6796 40.3389 175.6333 46 R 4.4671 8.4291 121.9986 55.6428 30.9271 177.7521 47 A 4.0417 8.4847 122.9797 55.4615 18.6233 179.4424 48 S 4.1459 8.1428 110.7800 61.4628 63.2076 174.9860 49 D 4.3280 7.6387 118.9121 54.2616 41.5822 175.2382 50 P 4.2301 0.0000 0.0000 66.2465 30.9105 178.5891 51 V 3.5325 7.6911 117.0946 65.6546 31.5566 177.6987 52 A 4.0145 7.8673 120.0674 55.2303 18.3468 179.5783 53 R 3.8777 8.3569 117.0133 59.4285 29.8744 179.3201 54 S 4.1883 7.5072 112.2058 61.2473 62.5977 175.5299 55 I 3.8532 8.2376 119.0423 60.8771 39.1806 174.8805 56 N 4.0286 7.2224 113.9856 54.6870 36.1037 173.0937 57 A 4.6721 7.8145 119.9219 50.4618 21.8316 176.8387 58 K 4.4962 8.0170 118.6808 54.0872 34.3917 175.8503 59 P 4.4064 0.0000 0.0000 61.1133 29.0840 175.0225 60 G 3.8845 6.9098 112.4095 46.0484 0.0000 172.6195 61 D 4.4955 8.3876 119.9862 54.0652 41.7577 175.3355 62 I 4.6724 8.0982 115.4524 59.3944 40.3174 174.7881 63 I 4.5090 8.5360 126.5899 60.8872 39.2365 174.8789 64 R 4.7962 9.3768 125.8143 54.5885 31.0562 172.3626 65 I 4.3967 8.2059 122.7636 60.3563 38.4892 174.5797 66 I 4.6691 8.2794 129.4887 59.6500 38.2540 175.5746 67 R 4.7363 8.4154 123.7037 53.7233 32.7264 175.5478 68 K 4.3536 8.5666 119.7146 56.6574 32.5100 176.3028 69 S 4.7467 9.0920 118.8101 56.4051 64.6629 175.1857 70 Q 4.2587 9.0632 125.4568 58.1871 28.9568 177.0759 71 L 4.5457 7.4843 116.6055 55.7789 43.3522 176.7932 72 Y 4.9359 8.0909 116.2177 56.8016 40.0092 176.5952 73 G 3.6935 8.5969 109.8829 45.1512 0.0000 173.8383 74 E 5.0523 8.4630 114.8079 54.0856 33.8525 176.1840 75 V 4.4215 8.6820 123.9726 61.1191 34.3211 174.2291 76 V 4.6295 8.2582 126.7330 61.3855 33.3009 174.3758 77 S 4.3523 8.2686 121.2002 56.9483 66.7687 171.1199 78 Y 5.2656 8.0554 117.7396 57.1403 42.4125 174.2902 79 R 4.8446 8.9327 117.3324 56.0303 34.7350 175.6323 80 Y 4.4011 9.0945 120.1915 56.7507 40.4795 172.4412 81 V 3.7313 8.1815 126.3376 62.4394 32.5203 171.1911 82 I 3.8960 8.8753 127.1301 61.4026 37.2365 175.3348 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 9 I 8.02 3.91 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 1.30 1.06 0.91 0.00 0.00 10 D 8.65 3.94 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 4.91 0.00 2.21 2.08 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 12 R 7.16 4.47 0.00 1.81 1.85 0.00 3.34 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 13 I 7.98 4.26 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.73 0.87 0.00 0.00 14 H 7.64 4.77 0.00 3.18 3.20 0.00 5.82 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.30 4.17 0.00 3.00 3.11 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 16 L 7.60 4.16 0.00 1.55 1.49 1.12 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.53 3.82 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 18 P 0.00 4.84 0.00 2.05 2.05 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 19 K 8.46 4.28 0.00 1.74 1.80 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.46 7.81 20 H 8.93 5.08 0.00 2.98 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.60 4.79 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 22 V 8.52 4.28 2.10 0.00 0.00 0.00 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 0.95 0.00 0.00 23 L 7.72 4.87 0.00 1.77 1.55 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.78 4.19 0.00 3.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.68 3.68 1.87 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 1.64 1.56 0.92 0.00 0.00 26 D 8.07 4.33 0.00 2.70 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 27 E 8.15 4.00 0.00 2.22 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 2.38 2.39 0.00 28 A 8.26 3.86 1.42 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 0.00 0.00 0.00 29 Y 7.87 3.98 0.00 3.16 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 3.96 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.51 7.81 31 I 7.07 3.69 1.81 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 1.40 0.63 0.46 0.00 0.00 32 L 7.75 4.02 0.00 1.59 1.76 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.50 3.92 0.00 1.30 1.48 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.24 7.81 34 E 7.42 3.98 0.00 2.34 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 2.31 2.47 0.00 35 L 8.27 4.13 0.00 1.55 1.72 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.45 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 0.00 0.00 0.00 37 I 7.70 4.79 1.95 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 1.27 0.71 0.90 0.00 0.00 38 R 8.69 4.14 0.00 1.89 2.22 0.00 3.20 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 39 P 0.00 4.33 0.00 1.87 2.31 0.00 3.57 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 40 E 7.68 4.12 0.00 2.01 1.89 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 2.10 1.86 0.00 41 Q 7.74 4.41 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 42 L 7.50 4.50 0.00 2.12 1.78 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 3.98 0.00 2.07 2.12 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 44 W 8.18 4.49 0.00 3.65 3.22 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 0.00 45 I 7.97 4.81 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 1.00 0.00 0.00 46 R 8.43 4.47 0.00 1.92 1.86 0.00 3.17 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 47 A 8.48 4.04 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 48 S 8.14 4.15 0.00 3.88 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 49 D 7.64 4.33 0.00 2.85 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.30 2.32 0.00 3.75 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 2.08 2.05 0.00 51 V 7.69 3.53 1.89 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 0.54 0.00 0.00 0.86 0.00 0.00 52 A 7.87 4.01 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 53 R 8.36 3.88 0.00 1.95 1.99 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 54 S 7.51 4.19 0.00 3.94 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 55 I 8.24 3.85 1.95 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 1.54 0.81 0.99 0.00 0.00 56 N 7.22 4.03 0.00 2.92 2.80 0.00 0.00 6.81 7.23 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 57 A 7.81 4.67 1.20 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 0.00 0.00 58 K 8.02 4.50 0.00 1.77 1.67 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.41 7.81 59 P 0.00 4.41 0.00 1.94 1.92 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 60 G 6.91 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.39 4.50 0.00 2.70 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 62 I 8.10 4.67 2.12 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.95 1.14 0.00 0.00 63 I 8.54 4.51 1.96 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 1.20 0.91 1.00 0.00 0.00 64 R 9.38 4.80 0.00 2.07 2.07 0.00 3.25 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 65 I 8.21 4.40 1.73 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.34 0.65 0.00 0.00 66 I 8.28 4.67 1.84 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 1.25 0.52 0.90 0.00 0.00 67 R 8.42 4.74 0.00 1.82 1.95 0.00 2.73 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 68 K 8.57 4.35 0.00 1.64 1.77 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81 69 S 9.09 4.75 0.00 3.84 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 70 Q 9.06 4.26 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 71 L 7.48 4.55 0.00 1.83 1.70 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.09 4.94 0.00 2.77 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 73 G 8.60 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.46 5.05 0.00 1.69 1.74 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 2.14 2.20 0.00 75 V 8.68 4.42 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.11 0.00 0.00 76 V 8.26 4.63 2.01 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 0.53 0.00 0.00 0.88 0.00 0.00 77 S 8.27 4.35 0.00 3.76 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.06 5.27 0.00 2.90 2.94 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 79 R 8.93 4.84 0.00 1.85 1.93 0.00 3.61 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 80 Y 9.09 4.40 0.00 3.18 3.21 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 81 V 8.18 3.73 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 82 I 8.88 3.90 1.82 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.84 0.73 0.00 0.00