NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2811 8.2649 123.5774 52.5034 19.7491 178.2840 2 S 4.2975 8.4038 105.8345 57.5031 61.3303 170.5072 3 E 4.0213 7.6207 120.9975 55.6182 31.4596 175.5432 4 P 4.4086 0.0000 0.0000 62.2643 33.1161 175.7397 5 R 3.9875 8.0537 120.1545 56.0536 30.2359 176.5793 6 A 4.1261 9.1246 126.8778 52.1904 19.0885 177.2867 7 E 4.3510 8.9032 120.8722 55.6833 30.5491 176.2957 8 D 4.7627 8.8794 122.2545 56.0571 41.1554 176.7556 9 G 4.0286 9.3440 112.7048 46.7339 0.0000 174.0309 10 H 4.0418 8.5862 120.6327 58.2463 29.8668 174.6331 11 A 4.3436 7.9791 118.6263 51.9474 21.8496 174.7559 12 H 4.3235 9.1950 112.8158 57.5904 26.2863 175.3773 13 D 4.7541 8.6201 113.1115 55.2942 38.8283 173.7944 14 Y 4.6777 8.3263 119.2905 57.9175 39.7030 175.2238 15 V 4.6829 7.9406 118.4440 59.3692 34.9399 176.9039 16 N 4.1429 9.8262 121.3574 55.1799 38.8714 174.5584 17 E 4.4960 7.7813 119.2684 53.9948 30.7803 175.5214 18 A 3.8116 8.9957 130.9867 55.3740 18.6995 179.2155 19 A 3.4941 7.8349 117.8856 55.1315 18.6483 178.8438 20 D 4.0992 7.7903 114.5000 57.6505 41.3180 177.5544 21 A 4.1980 7.4848 118.8223 52.5025 18.0300 179.0117 22 S 4.2371 7.5348 116.2187 62.1983 62.9941 176.5277 23 G 3.5939 7.9080 108.1106 48.2498 0.0000 172.9910 24 H 4.4187 8.5542 121.4888 54.7800 30.0113 173.6098 25 P 4.2651 0.0000 0.0000 66.0257 31.1855 178.0739 26 R 4.1668 8.1561 114.0560 58.1930 30.1991 177.1160 27 Y 2.7755 7.5979 120.0059 56.3445 36.7014 174.5756 28 Q 3.8408 7.2897 125.7980 54.5723 30.1748 175.2448 29 E 3.9117 8.3099 122.7944 58.0852 29.7541 177.7986 30 G 3.8209 8.4140 110.8002 45.6136 0.0000 173.5090 31 Q 4.0039 7.1383 119.0563 55.7203 28.7973 175.8112 32 L 5.1426 8.9148 122.7107 52.6592 45.4735 177.2701 33 C 4.0198 9.2382 120.6435 63.1580 28.3500 176.4210 34 E 2.0000 7.5777 116.5339 57.9355 28.7555 177.4792 35 N 4.7838 7.9259 115.2785 52.2641 37.7962 173.7596 36 C 3.8322 7.9992 119.4449 58.5847 32.4155 174.4616 37 A 3.7559 7.8969 129.7911 54.4357 18.1851 178.2671 38 F 4.9185 7.2073 113.3058 56.8337 39.3405 175.1214 39 W 4.5125 8.2111 132.2657 59.0929 31.0388 173.6454 40 G 3.4644 8.3770 115.2696 47.0311 0.0000 175.5735 41 E 4.8746 8.3552 119.8500 53.9827 35.1053 175.1286 42 A 4.6661 8.9345 124.0806 52.6293 19.2709 176.7617 43 V 4.2638 8.8467 120.5917 63.6566 33.5490 175.8412 44 Q 4.5122 8.2381 115.5398 56.2320 31.2739 173.7035 45 D 4.2907 9.6077 117.9790 54.8427 38.3754 174.5784 46 G 3.8839 8.1303 105.6460 46.5288 0.0000 171.8985 47 W 5.3419 8.7346 119.2409 54.9828 32.8263 175.0751 48 G 4.2840 9.6211 109.3755 45.6477 0.0000 171.8402 49 R 4.6490 7.9873 118.6405 55.2734 31.9376 175.8886 50 C 5.0468 8.3689 122.5578 57.0418 33.2081 174.5229 51 T 4.4207 8.4601 122.5353 61.8187 66.9217 174.7546 52 H 4.9908 7.7654 117.7924 54.0455 32.8446 172.8362 53 P 4.2157 0.0000 0.0000 66.1705 31.5453 178.6795 54 D 5.0173 7.7736 116.5431 52.6547 39.2646 175.9627 55 F 4.6676 7.8534 119.3612 59.9534 48.0861 176.6098 56 D 4.3605 8.8681 119.5941 57.3139 41.3200 178.2144 57 E 4.0050 7.2822 118.2729 57.5110 29.4151 177.6164 58 V 4.5762 7.5872 109.9398 59.0716 35.3730 175.0260 59 L 4.3769 8.8110 125.8129 54.8254 43.2406 176.2551 60 V 4.7980 8.6708 119.7833 59.8885 34.0799 175.4432 61 K 3.7705 9.3949 125.7659 56.1210 32.4921 177.8355 62 A 3.8267 9.0605 130.9917 55.3108 18.6745 178.6766 63 E 4.1870 7.9038 112.9466 56.9374 30.1110 176.8741 64 G 3.9889 8.0755 108.3527 45.9931 0.0000 172.2857 65 W 5.4899 8.4482 127.7888 56.9432 34.8523 173.2071 66 C 5.0132 7.0697 117.3438 56.4403 32.5118 175.0400 67 S 3.7308 8.7990 114.6480 61.3847 62.5128 176.0224 68 V 3.8668 7.6645 111.1998 61.8184 31.7779 175.2750 69 Y 3.9413 7.2300 122.1441 58.2860 39.6009 175.1074 70 A 4.8292 7.3666 126.7374 48.9649 22.5118 173.4046 71 P 4.4231 0.0000 0.0000 61.5665 32.1894 177.1546 72 A 4.2645 7.9003 126.3352 50.5915 17.3752 177.7315 73 S 4.1461 7.3095 120.4255 58.3346 63.9823 174.9107 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 A 8.26 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 2 S 8.40 4.30 0.00 3.92 3.81 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 3 E 7.62 4.02 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 4 P 0.00 4.41 0.00 2.02 2.09 0.00 3.65 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 2.01 1.95 0.00 5 R 8.05 3.99 0.00 1.14 0.66 0.00 2.70 0.00 0.00 2.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.81 0.00 6 A 9.12 4.13 1.13 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 0.00 0.00 7 E 8.90 4.35 0.00 2.23 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 2.46 2.47 0.00 8 D 8.88 4.76 0.00 2.76 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 9 G 9.34 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.59 4.04 0.00 3.35 3.36 0.00 5.99 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 11 A 7.98 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 9.19 4.32 0.00 3.52 3.46 0.00 5.77 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.62 4.75 0.00 3.08 3.02 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 0.00 0.00 0.00 14 Y 8.33 4.68 0.00 3.54 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.94 4.68 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 0.91 0.00 0.00 0.96 0.00 0.00 16 N 9.83 4.14 0.00 3.07 2.88 0.00 0.00 7.36 8.51 0.00 0.00 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 E 7.78 4.50 0.00 1.88 1.70 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 2.21 2.16 0.00 18 A 9.00 3.81 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.83 3.49 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.79 4.10 0.00 2.51 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 21 A 7.48 4.20 0.93 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 22 S 7.53 4.24 0.00 3.70 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 23 G 7.91 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.55 4.42 0.00 3.18 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.27 0.00 2.12 2.14 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 26 R 8.16 4.17 0.00 2.28 2.35 0.00 3.49 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 27 Y 7.60 2.78 0.00 1.76 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 28 Q 7.29 3.84 0.00 1.97 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.38 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 29 E 8.31 3.91 0.00 1.88 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 2.27 2.23 0.00 30 G 8.41 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 31 Q 7.14 4.00 0.00 1.12 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 6.79 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 32 L 8.91 5.14 0.00 1.64 1.53 0.95 0.56 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 33 C 9.24 4.02 0.00 3.26 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.58 2.00 0.00 1.28 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 35 N 7.93 4.78 0.00 2.77 2.83 0.00 0.00 6.86 8.10 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 36 C 8.00 3.83 0.00 3.02 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 37 A 7.90 3.76 0.73 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 38 F 7.21 4.92 0.00 2.86 2.64 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 39 W 8.21 4.51 0.00 3.50 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 40 G 8.38 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 4.87 0.00 1.74 1.77 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 2.28 2.20 0.00 42 A 8.93 4.67 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 43 V 8.85 4.26 2.16 0.00 0.00 0.00 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 44 Q 8.24 4.51 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.12 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 45 D 9.61 4.29 0.00 3.04 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 46 G 8.13 3.88 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 0.00 0.00 0.00 47 W 8.73 5.34 0.00 3.42 3.20 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 0.00 0.00 0.00 48 G 9.62 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 0.00 0.00 0.00 0.00 49 R 7.99 4.65 0.00 1.42 1.80 0.00 2.99 0.00 0.00 2.97 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 50 C 8.37 5.05 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 51 T 8.46 4.42 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 1.14 0.00 0.00 52 H 7.77 4.99 0.00 3.19 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.22 0.00 2.15 2.10 0.00 3.52 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 2.07 2.08 0.00 54 D 7.77 5.02 0.00 2.66 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 55 F 7.85 4.67 0.00 3.17 3.19 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 0.00 0.00 0.00 0.00 56 D 8.87 4.36 0.00 2.75 2.73 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 57 E 7.28 4.00 0.00 1.79 1.96 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 2.34 2.53 0.00 58 V 7.59 4.58 2.04 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 0.65 0.00 0.00 0.59 0.00 0.00 59 L 8.81 4.38 0.00 1.83 1.51 0.95 0.99 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 60 V 8.67 4.80 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 1.22 0.00 0.00 61 K 9.39 3.77 0.00 1.02 1.54 0.00 0.61 0.00 0.00 1.42 0.00 0.00 2.34 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.02 0.21 7.81 62 A 9.06 3.83 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.90 4.19 0.00 1.86 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 2.28 2.16 0.00 64 G 8.08 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.45 5.49 0.00 3.44 2.98 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 66 C 7.07 5.01 0.00 3.48 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 67 S 8.80 3.73 0.00 4.09 4.31 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.66 3.87 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 0.78 0.00 0.00 1.02 0.00 0.00 69 Y 7.23 3.94 0.00 2.49 2.63 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 70 A 7.37 4.83 0.72 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 0.00 0.00 71 P 0.00 4.42 0.00 2.09 2.21 0.00 3.30 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.87 0.00 72 A 7.90 4.26 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.31 4.15 0.00 3.80 3.68 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