NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.5846 8.1593 117.3198 63.9776 69.9432 173.0407 8 T 3.9347 8.2432 114.7503 58.3754 71.5795 170.0786 9 P 4.4465 0.0000 0.0000 63.0732 32.8979 177.6250 10 C 4.7012 9.1423 122.4508 55.3182 46.4959 174.3585 11 G 3.7398 8.3937 119.2680 46.4392 0.0000 172.1891 12 P 4.4706 0.0000 0.0000 63.2001 31.6488 175.2529 13 V 4.5727 8.1976 113.2915 59.8172 35.1691 173.7579 14 T 4.8990 8.0918 109.6052 60.3989 71.1117 174.6640 15 C 4.6234 9.6021 125.2425 57.2019 41.6052 173.4164 16 S 4.7094 8.4753 118.8226 58.2750 66.1380 179.6109 17 G 3.3438 8.7130 108.7580 46.5867 0.0000 175.0435 18 A 4.1077 5.8000 124.1833 52.0054 19.0966 178.3814 19 Q 4.6646 7.8579 117.4162 56.2071 30.5388 175.2122 20 M 4.6746 9.0683 122.0824 53.6094 35.0178 174.2370 21 C 4.7894 8.7332 123.3887 56.1330 43.6285 172.9471 22 E 4.2538 9.6701 128.8865 54.8180 28.2578 174.1067 23 V 3.5725 7.7441 122.9592 62.5959 31.5305 171.9848 24 D 4.8682 7.7936 117.5462 52.3486 41.2715 175.5230 25 K 4.6172 8.3934 120.0284 54.9069 35.1764 173.9903 26 C 5.3002 8.6373 119.3509 55.6576 40.0436 173.4270 27 V 4.5682 8.8704 116.5801 59.5385 35.6690 174.2610 28 C 5.0001 8.6277 119.0311 56.2680 41.4874 173.3972 29 S 4.8285 8.3361 114.2308 56.8566 65.3980 173.7299 30 D 4.6522 8.3214 119.2196 54.2424 41.3400 176.9796 31 L 4.0303 7.5160 122.8357 55.3971 42.5175 175.2713 32 H 4.9750 8.4558 120.9468 54.6960 32.6814 172.0823 33 C 4.6700 8.4402 116.7294 55.1196 43.0643 173.4889 34 K 4.4332 8.2287 118.6273 56.1258 31.5039 176.7103 35 V 4.0205 7.5783 112.4230 60.2283 33.5559 176.1208 36 K 4.2877 8.0864 121.1335 54.7823 32.7114 175.6892 37 C 4.3372 8.0436 124.2832 56.0370 41.0564 174.4343 38 E 3.7268 8.9356 125.9774 59.5075 29.1805 177.4486 39 H 4.6376 8.1949 111.8710 55.2149 29.2390 175.4647 40 G 3.9280 7.6155 106.5773 44.6475 0.0000 173.0383 41 F 4.8798 8.2610 117.1195 56.7664 39.8220 175.9717 42 K 4.1881 9.8069 125.3404 56.8899 33.1148 175.5158 43 K 5.3565 8.7554 126.3008 54.7135 34.6607 175.9922 44 D 4.8848 8.9721 124.4262 52.1684 40.7470 177.0514 45 D 4.6144 8.6299 118.6492 57.1100 40.7260 177.6652 46 N 4.5110 8.1016 114.4109 53.5543 39.0435 175.8504 47 G 4.0438 8.4434 107.0303 45.3354 0.0000 173.6605 48 C 4.5076 8.4309 117.5503 56.7982 40.8892 172.2756 49 E 5.2214 8.2163 121.0799 54.7841 30.9682 175.9183 50 Y 3.9248 9.3633 121.5624 57.5543 38.9328 175.7104 51 A 3.8742 8.7479 127.2103 54.3591 18.8282 178.9738 52 C 5.7701 7.8565 111.8045 55.8510 41.2682 174.0344 53 I 4.8985 8.0281 119.1845 60.1030 41.3593 176.7764 54 C 5.1098 8.8855 123.8110 55.3374 41.8607 173.5448 55 A 4.2775 8.8133 126.0355 52.2823 18.4967 178.0204 56 D 4.4862 8.6306 121.1444 56.0320 41.4471 176.1827 57 A 4.3415 7.2488 119.6934 49.8710 21.9938 174.0615 58 P 4.4355 0.0000 0.0000 62.4266 32.1148 177.0037 59 Q 4.1728 8.5536 118.6533 56.5131 28.8135 175.7551 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 7 T 8.16 4.58 4.25 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 1.28 0.00 0.00 8 T 8.24 3.93 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 1.20 0.00 0.00 9 P 0.00 4.45 0.00 2.19 2.10 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 10 C 9.14 4.70 0.00 2.88 2.92 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 11 G 8.39 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 12 P 0.00 4.47 0.00 2.19 2.17 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 13 V 8.20 4.57 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 0.79 0.00 0.00 1.04 0.00 0.00 14 T 8.09 4.90 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 15 C 9.60 4.62 0.00 3.06 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 16 S 8.48 4.71 0.00 3.73 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.71 3.34 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 0.00 18 A 5.80 4.11 0.64 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 19 Q 7.86 4.66 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 20 M 9.07 4.67 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 21 C 8.73 4.79 0.00 2.96 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 22 E 9.67 4.25 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 23 V 7.74 3.57 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 0.83 0.00 0.00 0.92 0.00 0.00 24 D 7.79 4.87 0.00 2.73 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 25 K 8.39 4.62 0.00 1.75 1.68 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.35 7.81 26 C 8.64 5.30 0.00 2.78 3.24 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 27 V 8.87 4.57 2.06 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 0.77 0.00 0.00 0.96 0.00 0.00 28 C 8.63 5.00 0.00 2.82 2.95 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 29 S 8.34 4.83 0.00 3.86 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 30 D 8.32 4.65 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.52 4.03 0.00 1.61 1.44 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.46 4.98 0.00 2.99 2.91 0.00 5.99 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.44 4.67 0.00 3.15 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 4.43 0.00 1.80 1.89 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.49 7.81 35 V 7.58 4.02 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 0.73 0.00 0.00 0.93 0.00 0.00 36 K 8.09 4.29 0.00 1.63 1.65 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.36 7.81 37 C 8.04 4.34 0.00 2.74 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 38 E 8.94 3.73 0.00 1.83 1.87 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 1.78 2.16 0.00 39 H 8.19 4.64 0.00 3.29 3.28 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.62 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 41 F 8.26 4.88 0.00 3.03 3.07 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 0.00 0.00 0.00 0.00 42 K 9.81 4.19 0.00 1.89 1.81 0.00 1.43 0.00 0.00 1.10 0.00 0.00 2.65 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.52 1.45 7.81 43 K 8.76 5.36 0.00 1.74 1.75 0.00 1.85 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.50 7.81 44 D 8.97 4.88 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.63 4.61 0.00 2.68 2.81 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 46 N 8.10 4.51 0.00 2.65 2.84 0.00 0.00 7.21 7.65 0.00 0.00 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 8.44 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 48 C 8.43 4.51 0.00 3.17 2.90 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 49 E 8.22 5.22 0.00 2.00 2.03 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 2.35 2.37 0.00 50 Y 9.36 3.92 0.00 2.99 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 51 A 8.75 3.87 1.22 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 0.00 0.00 52 C 7.86 5.77 0.00 2.98 3.06 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 53 I 8.03 4.90 1.91 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.79 0.00 0.00 54 C 8.89 5.11 0.00 2.78 2.87 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 55 A 8.81 4.28 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.63 4.49 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.25 4.34 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.06 2.04 0.00 3.61 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 59 Q 8.55 4.17 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00