NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 A 4.1654 8.2649 123.5137 51.9472 18.8109 176.2708 8 F 4.4918 7.7875 119.3792 55.4397 40.0660 174.6737 9 S 4.5953 9.7499 120.3841 57.7464 66.3522 175.3824 10 S 4.1289 8.4352 117.4426 61.5694 62.3641 176.5458 11 E 3.9734 8.0683 121.7350 59.0970 29.5148 178.7001 12 Q 3.8752 8.1871 118.2039 58.9705 28.8213 178.6702 13 L 3.6711 8.0714 119.7803 57.3772 41.5718 179.4928 14 A 3.9488 7.7337 120.7493 55.0458 18.3199 179.6955 15 R 3.8309 7.7002 117.1032 59.3088 30.0647 178.7311 16 L 3.6549 7.5593 118.8819 57.4592 41.3309 179.6185 17 K 4.1097 7.7036 118.4442 59.5056 31.8610 179.3655 18 R 3.9215 8.0169 118.9719 59.4226 29.8631 178.5281 19 E 4.1309 8.2437 118.4748 59.3780 29.3370 178.9356 20 F 4.3091 8.3861 121.2862 60.7660 39.4746 176.2498 21 N 4.4990 8.3771 115.8225 56.7886 38.7939 176.3969 22 E 4.4210 7.6294 117.6478 57.9205 29.7529 176.9907 23 N 4.7405 8.3431 118.3800 51.9396 41.2852 175.1583 24 R 3.3295 8.3704 119.7054 56.7656 29.8966 175.9697 25 Y 4.6818 7.4941 116.5248 55.9904 40.6475 175.1581 26 L 3.9111 8.4552 125.0277 54.6140 42.6546 177.3035 27 T 4.5011 7.9897 113.5180 60.0421 72.1977 175.4897 28 E 3.8732 8.4884 122.0738 59.6281 29.6934 179.0513 29 R 3.8879 7.8903 118.1745 59.4087 30.2108 178.3049 30 R 3.8973 8.2507 118.8148 59.2168 30.1827 178.4752 31 R 3.8366 8.0697 118.7303 59.2392 30.0405 178.6417 32 Q 4.1142 8.1610 117.9427 58.9717 28.6773 178.4602 33 Q 3.9426 8.1086 118.9520 59.1037 28.7423 178.8864 34 L 3.9409 7.9539 119.7786 57.9503 41.6769 179.6128 35 S 4.1304 7.9445 112.5169 61.4749 62.1736 176.0509 36 S 4.0707 8.0364 115.7211 61.6012 62.0278 175.9945 37 E 3.9614 8.3787 120.7475 58.9986 29.3731 178.2888 38 L 4.2235 8.1878 116.8670 54.1902 42.5444 176.2655 39 G 3.8401 7.6126 106.5282 46.7796 0.0000 173.1039 40 L 4.9507 7.8918 116.3391 52.3970 46.2206 176.8181 41 N 4.7010 8.8406 117.9371 52.8042 39.4493 176.7214 42 E 4.0187 8.9335 121.0347 59.6273 29.4699 179.7074 43 A 4.0979 8.0169 120.3976 55.0975 18.4717 179.5084 44 Q 4.2005 8.2826 116.8387 59.0394 28.8693 178.8004 45 I 3.8459 7.8098 120.5061 64.2157 37.2291 178.3048 46 K 3.9955 8.2583 119.2959 59.8583 31.9263 179.5600 47 I 3.8717 8.0638 119.8588 63.8641 36.8543 178.4615 48 W 3.9745 8.4625 129.4624 60.5797 30.5627 178.0784 49 F 4.0039 8.8468 117.5298 60.5183 38.3112 177.5991 50 A 4.0457 8.2633 120.4681 55.2290 18.1348 179.5103 51 N 4.1855 8.2920 115.2199 56.0560 38.4905 177.5359 52 K 3.1963 7.5662 121.2322 59.4258 31.9466 179.0687 53 R 3.9752 8.0163 118.0776 59.2289 29.6978 178.9833 54 A 3.9917 7.4562 119.5557 54.6562 18.5471 179.4503 55 K 3.9351 7.9875 118.3997 59.8463 32.0997 179.2608 56 I 3.6766 7.8030 120.1191 64.0320 36.7287 177.9639 57 K 4.1321 7.5957 119.1284 57.9896 32.0784 177.2663 58 K 4.4178 7.7455 117.5243 56.4933 32.2531 176.7297 59 S 4.3067 7.6139 121.3098 58.8644 62.7311 174.0232 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 A 8.26 4.17 1.20 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 0.00 0.00 8 F 7.79 4.49 0.00 3.17 2.89 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 9 S 9.75 4.60 0.00 4.07 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 10 S 8.44 4.13 0.00 3.89 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 11 E 8.07 3.97 0.00 2.02 1.92 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 2.35 2.38 0.00 12 Q 8.19 3.88 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 13 L 8.07 3.67 0.00 1.77 1.71 1.06 0.77 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 14 A 7.73 3.95 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 15 R 7.70 3.83 0.00 1.83 1.81 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 16 L 7.56 3.65 0.00 0.71 0.13 -0.53 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.70 4.11 0.00 2.01 1.90 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.72 7.81 18 R 8.02 3.92 0.00 2.01 2.10 0.00 3.09 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 19 E 8.24 4.13 0.00 2.40 2.23 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 2.61 2.52 0.00 20 F 8.39 4.31 0.00 2.96 3.25 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 21 N 8.38 4.50 0.00 2.99 3.04 0.00 0.00 7.30 7.17 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 22 E 7.63 4.42 0.00 2.24 2.01 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 2.50 2.51 0.00 23 N 8.34 4.74 0.00 2.83 2.74 0.00 0.00 6.80 8.39 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 24 R 8.37 3.33 0.00 0.88 0.98 0.00 2.74 0.00 0.00 3.05 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.16 0.00 25 Y 7.49 4.68 0.00 2.99 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 26 L 8.46 3.91 0.00 1.43 1.40 0.67 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.99 4.50 4.22 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 1.20 0.00 0.00 28 E 8.49 3.87 0.00 2.04 1.97 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 2.36 2.36 0.00 29 R 7.89 3.89 0.00 1.90 1.89 0.00 3.22 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 30 R 8.25 3.90 0.00 1.92 1.82 0.00 3.45 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 31 R 8.07 3.84 0.00 1.94 2.04 0.00 3.27 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 32 Q 8.16 4.11 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 33 Q 8.11 3.94 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 34 L 7.95 3.94 0.00 1.68 1.70 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.94 4.13 0.00 3.97 4.08 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 36 S 8.04 4.07 0.00 4.11 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 37 E 8.38 3.96 0.00 1.97 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 2.34 2.36 0.00 38 L 8.19 4.22 0.00 1.69 1.67 0.76 1.14 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 G 7.61 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 0.00 0.00 0.00 40 L 7.89 4.95 0.00 1.65 1.77 0.95 1.18 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 41 N 8.84 4.70 0.00 2.83 2.76 0.00 0.00 7.35 7.82 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 42 E 8.93 4.02 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 2.56 2.40 0.00 43 A 8.02 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.28 4.20 0.00 2.47 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 45 I 7.81 3.85 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.18 0.96 0.00 0.00 46 K 8.26 4.00 0.00 2.07 1.94 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.64 7.81 47 I 8.06 3.87 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.95 1.01 0.00 0.00 48 W 8.46 3.97 0.00 3.49 3.41 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 0.00 49 F 8.85 4.00 0.00 3.37 3.25 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 50 A 8.26 4.05 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 51 N 8.29 4.19 0.00 2.69 2.66 0.00 0.00 6.67 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 52 K 7.57 3.20 0.00 0.79 1.03 0.00 0.75 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 53 R 8.02 3.98 0.00 1.89 1.97 0.00 2.73 0.00 0.00 2.51 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 54 A 7.46 3.99 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 55 K 7.99 3.94 0.00 1.79 1.73 0.00 1.46 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.40 7.81 56 I 7.80 3.68 1.90 0.00 0.00 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 1.45 0.93 0.96 0.00 0.00 57 K 7.60 4.13 0.00 1.85 2.03 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.48 7.81 58 K 7.75 4.42 0.00 1.87 1.78 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.55 7.81 59 S 7.61 4.31 0.00 3.95 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