NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6668 8.3249 119.4856 57.4213 40.4004 173.7236 2 E 4.5640 8.3609 120.5661 53.4513 32.8857 174.1796 3 N 4.5625 9.5557 121.8112 53.8305 39.9300 174.4377 4 R 4.6538 8.4564 123.7005 55.8080 31.4434 177.8062 5 V 3.6104 8.2974 120.8833 66.2020 31.3109 177.8921 6 A 4.3692 7.9291 121.2204 54.5836 18.2120 179.2339 7 E 3.9044 8.1659 116.4898 59.7276 29.6852 179.6768 8 K 4.2221 7.9447 118.3270 59.5426 31.9356 179.5479 9 Q 4.1148 8.6420 118.9805 58.6592 28.6403 178.5709 10 K 3.9663 8.0836 120.6459 59.4590 32.1164 178.3304 11 L 3.8139 7.7354 119.1884 58.4071 42.0563 178.6693 12 F 4.2771 8.2230 114.6487 58.9619 39.1437 176.6782 13 Q 4.7136 7.5999 115.7370 54.6417 29.5297 174.1293 14 E 3.7879 7.8603 121.0767 56.2052 29.2478 176.6359 15 D 4.6181 8.5084 126.9097 54.4684 38.9303 174.8362 16 N 4.8294 8.1707 117.9685 51.2116 38.0205 175.5906 17 G 3.9592 8.1923 104.1846 46.5744 0.0000 173.9410 18 L 4.2708 8.0018 119.1801 53.0663 42.5444 175.2263 19 P 4.5149 0.0000 0.0000 62.0344 31.9413 177.5519 20 V 3.6798 8.6596 120.6406 65.3017 31.0006 177.2550 21 H 4.4932 8.2436 112.9510 56.3618 29.1003 175.2825 22 L 4.7192 8.1674 119.1180 54.2029 43.4328 177.8655 23 K 4.0817 7.6762 119.0431 57.9483 32.0834 177.4951 24 G 3.6231 8.4403 106.4889 46.6924 0.0000 173.3441 25 G 3.6264 7.2873 105.9602 44.5328 0.0000 174.2328 26 A 4.2812 8.6515 120.5910 55.1085 18.2945 180.1999 27 T 3.8138 7.8928 114.1645 67.0367 68.5476 175.8519 28 D 4.4759 7.4961 119.5233 57.7675 40.8790 178.9985 29 N 4.3165 8.1633 115.8848 56.4720 38.6397 177.1005 30 I 3.7275 7.5012 120.9076 64.4336 37.1893 178.0768 31 L 3.9665 8.1746 121.1084 58.5018 41.8687 178.3228 32 Y 4.0485 8.3399 119.4304 60.8647 38.7056 178.4155 33 R 3.8686 8.4330 118.9835 59.0567 30.1913 179.0357 34 V 3.5179 7.8904 118.0062 66.4831 31.5445 177.7654 35 T 3.7565 8.0202 115.4550 67.2127 68.2942 176.0301 36 M 3.8852 8.0721 119.9270 58.8545 32.1207 178.5095 37 T 3.7906 8.2169 116.1294 66.5719 68.6122 176.3675 38 L 3.9416 8.2362 121.1107 58.1576 41.6657 179.3023 39 C 4.1460 8.3827 116.6351 62.9982 28.0665 176.3573 40 L 4.0809 8.1544 120.4435 57.6644 41.1610 179.7502 41 G 3.7331 8.7593 106.0674 47.9606 0.0000 175.7470 42 G 3.8239 8.7650 109.6312 47.7816 0.0000 175.7025 43 T 4.0482 8.2194 119.6172 65.7600 68.3638 176.7154 44 L 3.9949 8.1318 120.9723 58.0336 41.6668 178.6197 45 Y 4.5122 8.3287 119.9275 61.1231 38.4823 178.5736 46 S 3.8916 8.4462 115.1298 61.4698 63.0524 176.4343 47 L 3.9990 7.9641 122.6864 57.4284 41.2369 178.8414 48 Y 4.2617 8.3341 119.8118 61.1932 38.8595 177.9403 49 C 3.7526 8.1893 117.9378 62.5764 27.8914 175.9901 50 L 4.0374 8.1168 121.6386 57.9214 42.1027 178.8628 51 G 3.8861 8.0244 105.6679 47.6961 0.0000 175.1213 52 W 4.0959 8.2087 131.4070 60.1162 30.4702 177.7015 53 A 4.3461 8.1638 118.1243 54.3449 17.9932 179.2944 54 S 3.9904 7.7403 112.7659 59.3533 63.2175 174.2735 55 F 4.7636 6.7899 118.6610 54.3433 41.0526 173.7411 56 P 4.3857 0.0000 0.0000 63.2807 31.7479 175.6634 57 H 4.5879 8.2712 116.2853 56.5209 29.7873 174.1241 58 K 4.2438 8.1708 124.2721 57.0302 32.0823 174.6421 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 F 8.32 4.67 0.00 2.93 3.12 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 2 E 8.36 4.56 0.00 1.99 1.82 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 2.22 2.36 0.00 3 N 9.56 4.56 0.00 2.71 2.77 0.00 0.00 6.83 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 4 R 8.46 4.65 0.00 1.88 2.04 0.00 3.38 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.53 0.00 5 V 8.30 3.61 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.97 0.00 0.00 6 A 7.93 4.37 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 7 E 8.17 3.90 0.00 2.17 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 2.41 2.43 0.00 8 K 7.94 4.22 0.00 2.00 2.05 0.00 1.99 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.69 1.73 7.81 9 Q 8.64 4.11 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 10 K 8.08 3.97 0.00 2.00 2.04 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 11 L 7.74 3.81 0.00 1.55 1.84 0.64 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.22 4.28 0.00 3.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.60 4.71 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 14 E 7.86 3.79 0.00 2.02 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 2.29 2.24 0.00 15 D 8.51 4.62 0.00 2.67 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 16 N 8.17 4.83 0.00 2.77 2.80 0.00 0.00 6.29 7.00 0.00 0.00 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 8.19 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 0.00 0.00 0.00 18 L 8.00 4.27 0.00 1.78 1.56 0.86 0.80 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 19 P 0.00 4.51 0.00 2.25 2.17 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 1.84 1.82 0.00 20 V 8.66 3.68 2.14 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 0.88 0.00 0.00 0.98 0.00 0.00 21 H 8.24 4.49 0.00 3.35 3.47 0.00 5.47 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 22 L 8.17 4.72 0.00 1.48 1.55 0.59 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.68 4.08 0.00 1.78 1.99 0.00 2.04 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.34 1.33 7.81 24 G 8.44 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.29 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.65 4.28 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 27 T 7.89 3.81 4.27 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 1.24 0.00 0.00 28 D 7.50 4.48 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.16 4.32 0.00 2.98 2.89 0.00 0.00 7.09 7.43 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 30 I 7.50 3.73 2.07 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 1.43 0.85 0.94 0.00 0.00 31 L 8.17 3.97 0.00 1.97 1.75 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.34 4.05 0.00 3.21 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 33 R 8.43 3.87 0.00 2.14 2.01 0.00 3.28 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.03 0.00 34 V 7.89 3.52 2.25 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 0.96 0.00 0.00 0.98 0.00 0.00 35 T 8.02 3.76 4.26 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 1.14 0.00 0.00 36 M 8.07 3.89 0.00 1.72 1.35 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 37 T 8.22 3.79 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 38 L 8.24 3.94 0.00 1.80 1.72 0.90 0.95 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 39 C 8.38 4.15 0.00 3.08 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 40 L 8.15 4.08 0.00 1.73 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.76 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 42 G 8.77 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 0.00 0.00 0.00 43 T 8.22 4.05 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 44 L 8.13 3.99 0.00 1.93 1.78 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.33 4.51 0.00 3.00 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 46 S 8.45 3.89 0.00 4.02 4.07 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 47 L 7.96 4.00 0.00 2.04 1.83 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.33 4.26 0.00 3.06 3.29 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 49 C 8.19 3.75 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 4.04 0.00 1.59 1.86 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.02 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 52 W 8.21 4.10 0.00 2.94 3.10 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 0.00 0.00 0.00 0.00 53 A 8.16 4.35 1.49 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 0.00 0.00 54 S 7.74 3.99 0.00 3.87 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.79 4.76 0.00 2.90 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 56 P 0.00 4.39 0.00 2.12 2.00 0.00 3.91 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 57 H 8.27 4.59 0.00 2.98 3.27 0.00 6.00 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.17 4.24 0.00 1.80 1.80 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.34 7.81