NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.5919 8.3331 118.3220 58.1981 30.6903 173.0259 7 G 5.2920 7.0536 112.4826 45.9414 0.0000 170.3925 8 K 5.5264 8.1900 120.7786 54.6106 37.3520 172.4839 9 C 5.0007 8.0999 119.4127 57.2564 35.0506 173.2292 10 W 3.9070 8.0856 130.7658 58.7447 30.2433 175.6593 11 K 3.8324 8.1099 132.2596 57.3722 29.9472 176.9077 12 T 4.4060 7.1229 111.0207 60.1851 67.9561 174.4294 13 F 4.4909 8.5692 130.9071 57.9929 36.3110 173.5973 14 T 4.6179 7.5878 115.5526 61.6294 70.3880 175.2338 15 D 5.1877 9.0641 127.0646 53.9349 41.4688 175.7523 16 E 4.6802 8.6171 120.2560 54.4152 33.0906 175.0433 17 Q 4.0352 8.8839 124.7926 55.8211 29.7169 176.7888 18 L 4.0255 8.4384 119.3602 56.1606 41.5062 178.4392 19 K 4.3200 7.6647 119.6954 55.1838 30.6645 175.7776 20 V 4.4681 7.7141 115.5273 59.1485 34.8379 175.5444 21 L 4.3744 8.3013 124.0911 53.8141 44.7478 172.6329 22 P 4.7044 0.0000 0.0000 62.7732 32.9550 175.5971 23 G 4.3776 7.7792 109.0571 44.7873 0.0000 173.9639 24 V 4.2728 8.1394 113.8736 59.9300 30.5455 173.7930 25 R 4.6663 7.4231 123.4510 55.5888 35.2354 174.7294 26 C 5.0161 8.2554 119.6477 53.8263 44.7030 171.6519 27 P 4.1837 0.0000 0.0000 63.3413 31.2674 175.7490 28 Y 3.3725 8.6314 126.7993 58.3242 36.3963 168.4806 29 C 4.8872 7.8157 118.7373 58.4505 46.8206 176.8893 30 G 3.8300 8.6027 105.1268 46.4606 0.0000 172.3095 31 Y 4.9984 7.7272 117.9089 55.6413 42.1057 175.1505 32 K 4.1112 6.8377 121.9553 56.4452 34.1749 176.4179 33 I 3.9016 6.1920 120.3448 60.1117 38.2087 174.8115 34 I 4.8874 7.6921 127.0221 57.9349 40.4430 174.9503 35 F 4.8104 8.4429 127.9181 57.5123 40.7356 173.8634 36 M 4.9374 8.6173 120.5704 54.2256 33.4185 176.0920 37 V 4.1780 8.3402 125.2052 60.5064 33.4572 175.7488 38 R 3.9064 8.5118 121.9305 55.7987 30.4772 175.9590 39 K 3.7785 8.8552 125.1870 56.5209 32.2876 174.8688 40 P 4.5941 0.0000 0.0000 64.2123 31.6905 176.6733 41 T 4.1097 7.1931 115.3701 62.8848 69.0204 174.2748 42 I 3.7264 8.2933 125.3238 61.2026 38.3741 175.1785 43 K 4.4987 8.5204 126.9951 54.6604 34.0206 176.0167 44 I 4.2185 8.1926 124.0180 59.8112 37.2942 174.9541 45 V 4.2612 8.0339 125.1396 60.9588 32.9332 175.4073 46 K 4.3201 8.3878 125.6043 55.5794 33.6967 177.4859 47 A 4.3971 8.2226 127.1597 50.9954 17.5433 177.5420 48 I 4.0292 7.3217 125.2771 60.8791 37.3640 176.6384 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 6 C 8.33 4.59 0.00 2.98 3.08 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 0.00 0.00 0.00 0.00 7 G 7.05 5.29 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 0.00 8 K 8.19 5.53 0.00 1.87 1.77 0.00 1.95 0.00 0.00 2.32 0.00 0.00 3.38 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.55 7.81 9 C 8.10 5.00 0.00 2.93 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 10 W 8.09 3.91 0.00 3.40 3.01 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 0.00 0.00 0.00 0.00 11 K 8.11 3.83 0.00 0.88 1.46 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.21 7.81 12 T 7.12 4.41 4.28 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 1.21 0.00 0.00 13 F 8.57 4.49 0.00 2.89 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 14 T 7.59 4.62 4.29 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 1.24 0.00 0.00 15 D 9.06 5.19 0.00 2.60 2.65 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 0.00 0.00 0.00 0.00 16 E 8.62 4.68 0.00 2.00 2.02 0.00 0.00 0.00 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 2.32 0.00 17 Q 8.88 4.04 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.03 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 18 L 8.44 4.03 0.00 1.68 1.72 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.66 4.32 0.00 1.79 1.80 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.56 7.81 20 V 7.71 4.47 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 0.71 0.00 0.00 0.93 0.00 0.00 21 L 8.30 4.37 0.00 1.56 1.50 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.70 0.00 2.20 2.14 0.00 3.76 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 1.91 1.94 0.00 23 G 7.78 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 4.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.88 0.00 0.00 25 R 7.42 4.67 0.00 1.64 1.83 0.00 3.16 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 1.46 1.57 0.00 26 C 8.26 5.02 0.00 3.05 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.03 2.05 0.00 4.01 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 28 Y 8.63 3.37 0.00 3.09 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 29 C 7.82 4.89 0.00 3.16 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 30 G 8.60 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.73 5.00 0.00 2.97 2.82 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 32 K 6.84 4.11 0.00 1.33 1.55 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 1.27 7.81 33 I 6.19 3.90 1.67 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.48 0.50 0.00 0.00 34 I 7.69 4.89 1.80 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 1.34 2.08 0.83 0.00 0.00 35 F 8.44 4.81 0.00 3.12 2.88 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 36 M 8.62 4.94 0.00 2.08 2.00 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 2.55 2.56 0.00 37 V 8.34 4.18 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 0.80 0.00 0.00 1.00 0.00 0.00 38 R 8.51 3.91 0.00 1.80 1.90 0.00 3.29 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 K 8.86 3.78 0.00 1.83 1.73 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.49 7.81 40 P 0.00 4.59 0.00 2.22 2.16 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 1.99 1.99 0.00 41 T 7.19 4.11 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 42 I 8.29 3.73 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 1.41 0.75 0.91 0.00 0.00 43 K 8.52 4.50 0.00 1.76 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.37 7.81 44 I 8.19 4.22 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 0.43 0.91 0.00 0.00 45 V 8.03 4.26 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 0.82 0.00 0.00 0.93 0.00 0.00 46 K 8.39 4.32 0.00 1.78 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.42 7.81 47 A 8.22 4.40 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 I 7.32 4.03 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 0.62 0.91 0.00 0.00