NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.7942 8.3501 109.7362 45.5397 0.0000 172.0564 0 A 4.2888 7.7496 125.9814 49.9622 18.5661 174.3379 1 M 4.1256 8.1309 120.7604 54.6948 33.5222 173.5452 2 P 4.2039 0.0000 0.0000 63.3137 31.9176 176.5407 3 S 4.5054 8.4970 118.8014 57.2808 64.0134 175.1177 4 K 3.9829 8.5832 121.2220 60.2828 31.9122 178.9535 5 L 4.0254 7.8663 120.8951 57.7204 42.0729 178.2676 6 A 4.0280 7.8082 120.4555 55.2530 18.2371 179.6749 7 L 4.1278 7.9784 118.2042 57.5268 41.7110 179.5470 8 I 3.7290 7.9512 112.0488 64.2859 37.4160 177.8698 9 Q 4.1550 8.4201 119.6260 58.3412 28.7204 177.8041 10 E 4.1621 8.2144 118.2678 58.2948 29.7903 178.7069 11 L 4.0224 7.9123 120.8661 57.6749 41.6678 177.3699 12 P 4.2332 0.0000 0.0000 65.8835 31.2624 178.1350 13 D 4.3017 7.9242 116.0060 57.3065 41.2296 178.0792 14 R 3.9300 8.5738 118.9826 59.4999 30.1854 178.8612 15 I 3.8405 8.2404 118.5652 63.6371 38.0559 177.6066 16 Q 3.9567 8.3578 121.1677 59.6210 28.6651 178.5691 17 T 3.9638 8.2767 115.6966 66.2645 68.5173 176.3262 18 A 4.2007 8.1092 122.9893 54.1913 18.6841 178.9807 19 V 4.3347 7.5685 114.4836 61.2506 32.1476 177.3430 20 E 4.0271 8.2190 119.6693 59.5750 29.0152 178.8172 21 A 3.9376 7.9910 120.2538 55.2728 18.6791 179.0982 22 A 4.1591 7.9475 118.4927 55.2396 18.3213 179.6849 23 M 4.0352 8.3964 117.4011 58.3840 32.1964 178.4423 24 G 3.8949 8.3128 102.6361 44.3627 0.0000 173.4451 25 M 4.1228 7.3229 121.6604 55.5204 32.7024 176.2915 26 S 4.3245 8.4965 121.3603 57.3209 61.5120 172.7885 27 Y 4.5488 7.4260 123.8049 56.6666 38.5557 177.4187 28 Q 4.0628 7.4027 118.3402 57.8375 28.9409 175.9564 29 D 4.6846 7.9316 117.6562 53.0474 39.7042 175.5776 30 A 4.8430 7.5383 121.6831 49.4882 21.9575 175.7415 31 P 4.3973 0.0000 0.0000 62.4197 33.2652 177.1109 32 N 4.2912 8.8416 119.3970 57.1493 38.9129 176.8972 33 N 4.2727 8.1199 117.5616 56.2712 37.2641 177.3672 34 V 3.9573 7.9672 115.9739 63.2659 31.7369 178.5926 35 R 4.0235 8.3206 115.9303 59.1154 29.4120 179.0989 36 R 3.8871 8.7981 120.0289 59.1270 29.5435 178.6172 37 D 4.4575 7.8576 118.4234 57.2126 40.6673 178.6633 38 L 3.9493 7.4897 119.6020 57.2738 41.5182 178.8724 39 D 3.9808 7.8416 118.6986 57.0543 41.0711 178.0345 40 N 4.3230 8.4652 117.6415 56.0149 38.5285 177.0301 41 L 3.9851 7.8070 121.7968 58.5202 42.1279 178.9018 42 H 4.1548 8.3271 116.3282 58.5309 28.6155 177.7050 43 A 4.0217 8.1135 122.5207 55.5071 18.3842 179.5802 44 C 4.1603 8.6105 115.5777 62.6895 28.3771 176.0538 45 L 3.9862 8.0324 122.0047 57.6732 41.6692 178.4651 46 N 4.2859 7.7605 116.6391 56.4358 38.9385 176.5839 47 K 3.8154 8.5405 121.3096 59.6816 32.1220 178.4614 48 A 4.1662 8.0018 122.4614 54.5465 18.2694 179.8069 49 K 3.9837 7.9165 116.6609 59.3891 32.1154 179.6036 50 L 3.9992 8.0057 119.7037 58.0368 41.4960 179.7103 51 T 3.9143 8.4257 110.1785 64.6507 68.6455 176.9785 52 V 3.7558 7.9501 121.2866 65.5725 31.6207 178.0310 53 G 3.7271 8.5925 105.8549 48.1708 0.0000 175.5352 54 R 4.7386 7.9282 120.8359 57.3521 30.2530 178.6368 55 M 4.0325 8.0852 118.9401 58.4531 32.2252 178.2518 56 V 3.6281 8.0972 118.7616 66.2539 31.5458 178.1428 57 T 3.8903 7.8381 115.5872 66.6552 68.0269 176.5159 58 S 4.4826 8.0376 115.9385 60.8666 62.4427 175.9611 59 L 4.1739 7.5709 120.5267 57.3036 41.4946 178.6058 60 L 4.3506 7.8005 116.9650 55.4934 41.8722 176.8982 61 E 4.5665 7.7972 117.7868 55.4985 30.1267 175.7494 62 K 4.5106 7.6762 119.5864 54.9827 35.4303 173.9899 63 P 4.2601 0.0000 0.0000 65.5918 31.3870 178.7428 64 S 4.2030 8.0528 113.3212 61.6159 62.8379 176.6525 65 V 3.6142 7.8207 120.3183 66.0208 31.3066 177.8536 66 V 3.5682 7.9576 117.6070 66.1520 31.3982 177.7128 67 A 4.4415 8.3695 122.0703 54.9971 17.7514 179.2543 68 Y 3.8772 8.1421 115.0841 60.9066 37.6528 178.7174 69 L 3.9564 7.7016 119.1791 57.8371 42.0196 179.0890 70 E 4.2021 8.2563 117.4751 57.1901 29.5283 177.7161 71 G 4.0385 7.5574 106.9510 45.7502 0.0000 173.4463 72 K 4.0800 8.1546 124.7339 56.1564 32.1317 176.9322 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 -1 G 8.35 3.79 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 0.00 0.00 0.00 0 A 7.75 4.29 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 1 M 8.13 4.13 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 2 P 0.00 4.20 0.00 2.17 2.09 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 3 S 8.50 4.51 0.00 3.91 3.98 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 0.00 0.00 0.00 4 K 8.58 3.98 0.00 2.00 2.10 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.77 7.81 5 L 7.87 4.03 0.00 1.77 1.71 0.93 1.17 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 6 A 7.81 4.03 1.43 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 7 L 7.98 4.13 0.00 2.01 1.73 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.95 3.73 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 1.54 0.60 0.97 0.00 0.00 9 Q 8.42 4.16 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.06 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 10 E 8.21 4.16 0.00 2.22 2.28 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 2.51 2.34 0.00 11 L 7.91 4.02 0.00 1.80 1.79 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.23 0.00 2.15 2.12 0.00 3.64 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 2.19 2.16 0.00 13 D 7.92 4.30 0.00 2.79 2.80 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 0.00 0.00 0.00 0.00 14 R 8.57 3.93 0.00 2.02 1.97 0.00 3.17 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 1.65 1.65 0.00 15 I 8.24 3.84 2.04 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 1.40 1.62 0.99 0.00 0.00 16 Q 8.36 3.96 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 17 T 8.28 3.96 4.40 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 1.21 0.00 0.00 18 A 8.11 4.20 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 19 V 7.57 4.33 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 1.00 0.00 0.00 0.93 0.00 0.00 20 E 8.22 4.03 0.00 2.30 2.37 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 2.29 2.56 0.00 21 A 7.99 3.94 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 22 A 7.95 4.16 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 23 M 8.40 4.04 0.00 1.91 2.13 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 24 G 8.31 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 0.00 0.00 0.00 25 M 7.32 4.12 0.00 2.25 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 2.68 2.59 0.00 26 S 8.50 4.32 0.00 3.83 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 27 Y 7.43 4.55 0.00 3.16 3.15 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 0.00 0.00 0.00 0.00 28 Q 7.40 4.06 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.31 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 29 D 7.93 4.68 0.00 2.77 2.77 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 30 A 7.54 4.84 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.38 2.00 0.00 3.64 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 2.12 2.16 0.00 32 N 8.84 4.29 0.00 2.77 2.85 0.00 0.00 6.81 6.74 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 33 N 8.12 4.27 0.00 2.95 3.07 0.00 0.00 6.18 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 34 V 7.97 3.96 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 0.91 0.00 0.00 1.02 0.00 0.00 35 R 8.32 4.02 0.00 2.50 2.39 0.00 3.03 0.00 0.00 3.54 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 36 R 8.80 3.89 0.00 1.92 2.00 0.00 3.43 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 37 D 7.86 4.46 0.00 2.96 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 38 L 7.49 3.95 0.00 1.23 1.07 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.84 3.98 0.00 2.73 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 40 N 8.47 4.32 0.00 2.86 2.81 0.00 0.00 6.53 6.58 0.00 0.00 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 7.81 3.99 0.00 1.82 1.73 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.33 4.15 0.00 3.21 3.31 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.11 4.02 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 44 C 8.61 4.16 0.00 2.96 2.97 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 45 L 8.03 3.99 0.00 1.90 1.61 0.91 0.39 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 46 N 7.76 4.29 0.00 2.93 3.06 0.00 0.00 6.73 6.61 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 47 K 8.54 3.82 0.00 1.91 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 48 A 8.00 4.17 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 3.98 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.69 7.81 50 L 8.01 4.00 0.00 1.85 1.71 0.92 0.50 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 51 T 8.43 3.91 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 1.29 0.00 0.00 52 V 7.95 3.76 2.19 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 1.16 0.00 0.00 1.00 0.00 0.00 53 G 8.59 3.73 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 0.00 0.00 0.00 54 R 7.93 4.74 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 55 M 8.09 4.03 0.00 2.24 2.17 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 2.59 2.58 0.00 56 V 8.10 3.63 2.29 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 0.96 0.00 0.00 1.05 0.00 0.00 57 T 7.84 3.89 4.40 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 1.21 0.00 0.00 58 S 8.04 4.48 0.00 3.94 4.06 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 59 L 7.57 4.17 0.00 1.85 1.72 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.80 4.35 0.00 1.75 1.72 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.80 4.57 0.00 2.10 2.15 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 0.00 2.43 2.35 0.00 62 K 7.68 4.51 0.00 1.97 1.93 0.00 1.52 0.00 0.00 1.82 0.00 0.00 3.26 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.54 7.81 63 P 0.00 4.26 0.00 2.20 2.16 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 64 S 8.05 4.20 0.00 3.92 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 65 V 7.82 3.61 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 66 V 7.96 3.57 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 1.10 0.00 0.00 1.04 0.00 0.00 67 A 8.37 4.44 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 68 Y 8.14 3.88 0.00 3.28 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 69 L 7.70 3.96 0.00 1.80 1.85 0.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.26 4.20 0.00 2.20 2.20 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 2.53 2.40 0.00 71 G 7.56 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 72 K 8.15 4.08 0.00 1.63 1.66 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.59 7.81