NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4675 8.3049 120.3483 55.4774 33.5323 174.8776 2 L 4.2009 7.4881 127.3156 53.2350 43.4476 175.9830 3 S 3.3970 8.4167 109.0497 66.6812 61.3347 177.3569 4 V 2.6441 7.8346 118.4252 64.6753 35.2049 178.4624 5 A 3.0234 6.2828 115.9460 51.2912 20.9463 177.4325 6 A 4.5896 5.8866 121.1316 50.4712 19.7154 178.7477 7 R 4.0551 7.6396 119.8134 56.7659 31.2208 175.6102 8 S 3.6762 7.7128 111.1219 59.0880 59.8512 169.9523 9 G 4.3280 6.7123 111.8162 45.4642 0.0000 170.7053 10 P 4.5990 0.0000 0.0000 61.8176 33.8315 175.7450 11 F 5.1540 8.5082 118.5012 56.6814 39.9566 175.5098 12 A 4.8329 8.8689 124.3604 49.4470 21.2272 173.5094 13 P 4.9312 0.0000 0.0000 62.4880 32.8707 175.9427 14 V 4.4379 8.3390 121.7408 61.2121 34.1798 174.3215 15 L 5.0189 8.4971 126.8771 53.5202 44.1817 175.6208 16 S 4.5307 8.3264 113.2238 56.6790 65.3127 173.5786 17 A 4.1214 8.7184 129.3530 55.8242 18.2234 179.2836 18 T 4.1806 7.7838 104.1481 63.2769 69.6366 175.2405 19 S 4.7642 7.6077 116.1343 55.9385 66.1967 173.9509 20 R 4.0106 8.5517 123.1379 55.8875 30.4590 176.8652 21 G 3.7433 8.6206 109.0787 47.0562 0.0000 172.8280 22 V 4.5808 8.5330 124.4786 61.2196 34.1646 174.2679 23 A 4.6385 7.8424 125.7991 50.7155 21.7881 174.6443 24 G 3.7357 9.2929 107.8796 46.9259 0.0000 175.3023 25 A 5.0556 5.8000 126.7412 51.3685 22.8325 177.8004 26 L 4.7644 9.0844 114.3564 53.2375 45.6999 174.7729 27 R 4.7463 8.7068 112.2467 53.2086 29.1750 172.5896 28 P 4.1691 0.0000 0.0000 63.5154 31.2233 175.9035 29 L 4.5649 8.5307 124.1251 54.8646 42.7133 175.9358 30 V 4.3165 7.2025 107.3306 64.0364 34.1888 178.2354 31 Q 4.3506 7.8112 118.1578 55.8117 28.0587 177.1252 32 A 4.5787 7.8710 118.3517 51.9134 21.7823 177.5002 33 A 4.4237 7.9843 116.7503 52.3548 19.4000 178.4393 34 V 3.7902 7.8098 116.4958 64.6621 32.0297 174.1514 35 P 4.5703 0.0000 0.0000 61.5926 32.4318 174.7626 36 A 4.8416 8.1289 125.4283 52.0349 22.1615 174.6010 37 T 3.3374 8.4313 108.2076 64.9420 65.8168 174.6655 38 S 4.3547 7.6770 114.5745 57.7746 61.6418 173.0079 39 E 4.0363 8.5074 128.1494 56.9189 29.7765 176.8890 40 S 4.4306 8.1516 114.1385 57.9368 63.3675 166.8619 41 P 4.6785 0.0000 0.0000 63.2828 31.7635 176.4864 42 V 3.9627 7.5332 120.2800 63.5036 29.9999 174.5517 43 L 3.6979 8.2859 127.3909 55.1633 37.4585 174.3891 44 D 4.8618 6.8760 116.2076 53.4814 44.2948 179.4952 45 L 3.6191 7.3547 121.8740 55.3934 37.4706 174.5138 46 K 4.4045 7.9691 119.1401 55.3501 35.5389 174.4942 47 R 3.3855 7.3195 124.8144 52.1553 34.8963 174.5753 48 S 4.5540 8.0357 112.3408 56.2041 65.5164 174.5616 49 V 3.7110 8.2486 124.1460 63.0661 32.0447 172.8360 50 L 3.6344 8.7290 122.2963 53.9599 41.4849 172.8020 51 C 4.0010 7.8580 120.6403 58.9430 32.4180 172.8476 52 R 4.8044 7.7367 121.4605 55.0054 33.1840 174.2769 53 E 3.8611 8.8744 112.8522 58.0895 26.3406 174.9323 54 S 4.7122 7.3850 107.6123 57.4833 63.8864 173.4269 55 L 5.2142 7.7112 123.3243 55.2184 44.3180 175.4528 56 R 4.3112 8.0459 121.4455 56.3495 32.4813 175.2161 57 G 3.7391 8.7647 111.2131 46.9462 0.0000 173.0792 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 M 8.30 4.47 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 L 7.49 4.20 0.00 1.75 1.51 0.92 0.67 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 3 S 8.42 3.40 0.00 3.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 2.64 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 0.89 0.00 0.00 0.93 0.00 0.00 5 A 6.28 3.02 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 6 A 5.89 4.59 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 7 R 7.64 4.06 0.00 1.83 1.92 0.00 3.40 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 8 S 7.71 3.68 0.00 4.09 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 6.71 4.33 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 0.00 10 P 0.00 4.60 0.00 2.10 2.16 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 11 F 8.51 5.15 0.00 2.98 2.96 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 12 A 8.87 4.83 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 13 P 0.00 4.93 0.00 2.08 2.02 0.00 3.37 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.80 0.00 14 V 8.34 4.44 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 1.01 0.00 0.00 0.94 0.00 0.00 15 L 8.50 5.02 0.00 1.55 1.55 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.33 4.53 0.00 3.75 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.72 4.12 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 18 T 7.78 4.18 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 1.24 0.00 0.00 19 S 7.61 4.76 0.00 3.82 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 20 R 8.55 4.01 0.00 1.79 1.86 0.00 3.31 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 21 G 8.62 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 22 V 8.53 4.58 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 0.93 0.00 0.00 0.93 0.00 0.00 23 A 7.84 4.64 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.29 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 25 A 5.80 5.06 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 26 L 9.08 4.76 0.00 1.55 1.55 0.92 1.00 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 27 R 8.71 4.75 0.00 1.98 2.06 0.00 3.15 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 28 P 0.00 4.17 0.00 2.07 2.08 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 29 L 8.53 4.56 0.00 1.61 1.68 0.95 0.99 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 30 V 7.20 4.32 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 0.82 0.00 0.00 0.94 0.00 0.00 31 Q 7.81 4.35 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 32 A 7.87 4.58 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 33 A 7.98 4.42 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 34 V 7.81 3.79 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 0.86 0.00 0.00 0.93 0.00 0.00 35 P 0.00 4.57 0.00 2.21 2.03 0.00 3.83 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 1.95 1.95 0.00 36 A 8.13 4.84 1.24 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 0.00 0.00 0.00 37 T 8.43 3.34 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 1.21 0.00 0.00 38 S 7.68 4.35 0.00 3.99 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 39 E 8.51 4.04 0.00 2.00 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 2.31 2.29 0.00 40 S 8.15 4.43 0.00 4.16 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 41 P 0.00 4.68 0.00 2.23 2.29 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 42 V 7.53 3.96 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 0.81 0.00 0.00 0.93 0.00 0.00 43 L 8.29 3.70 0.00 1.83 1.88 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 6.88 4.86 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 3.62 0.00 1.67 1.74 0.91 0.81 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 46 K 7.97 4.40 0.00 1.82 1.61 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.41 7.81 47 R 7.32 3.39 0.00 1.83 1.86 0.00 3.22 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 48 S 8.04 4.55 0.00 3.94 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 49 V 8.25 3.71 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 0.78 0.00 0.00 0.92 0.00 0.00 50 L 8.73 3.63 0.00 1.80 1.66 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.86 4.00 0.00 3.14 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 52 R 7.74 4.80 0.00 1.79 1.83 0.00 3.46 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 53 E 8.87 3.86 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 54 S 7.39 4.71 0.00 3.93 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 55 L 7.71 5.21 0.00 1.65 1.66 0.92 0.91 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 56 R 8.05 4.31 0.00 1.73 1.69 0.00 3.20 0.00 0.00 3.23 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 57 G 8.76 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