NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7331 8.2833 118.2151 52.8910 39.0675 176.4235 3 T 4.1053 7.8164 119.1032 66.7364 68.6120 174.4394 4 D 4.2757 8.2110 120.8231 57.3696 41.2647 177.9516 5 Q 3.8950 8.0116 119.4509 59.4264 28.6637 178.3317 6 Q 3.9490 8.4757 119.3110 58.7863 28.6886 178.9807 7 K 3.9787 8.4843 119.9566 59.3832 32.1093 179.5830 8 V 3.2916 8.1107 118.8334 65.9490 31.2901 178.1414 9 S 3.9728 8.0974 115.1764 61.4342 62.7546 176.2221 10 E 3.9012 8.1921 121.8750 59.5250 29.4013 178.9578 11 I 3.7687 7.7703 119.6729 64.4155 37.1397 178.4930 12 F 4.5480 8.5234 119.0191 60.7001 38.6295 177.5944 13 Q 4.0699 8.4695 118.1408 59.2443 28.6243 179.3907 14 S 4.1847 8.0371 114.5062 61.2445 63.0575 176.3942 15 S 4.1100 8.2268 117.0512 61.1052 62.1265 176.1769 16 K 3.9091 8.1216 121.2360 59.5008 31.8305 178.8366 17 E 4.0603 7.9414 119.6076 59.1684 29.4677 178.8542 18 K 3.9401 8.1255 119.6357 59.5082 32.3726 178.7338 19 L 3.9998 8.4363 119.6351 57.9783 41.2626 179.6826 20 Q 4.0768 7.9874 117.2839 58.7833 28.9350 178.6292 21 G 3.7163 8.0982 106.7781 48.0186 0.0000 175.5913 22 D 4.3793 8.5422 121.7792 56.8616 40.7271 178.7697 23 A 3.9788 7.9729 121.3157 54.7390 18.2683 179.5905 24 K 3.9348 7.7970 118.1659 59.3775 32.1969 179.2502 25 V 3.4864 7.5474 118.2495 65.8679 31.4694 177.9612 26 V 3.2262 7.5008 117.8033 65.8630 31.2418 177.8163 27 S 3.9470 8.1834 113.1407 61.6498 62.0358 175.8288 28 D 4.3240 8.4595 120.1457 57.2628 40.5330 178.5853 29 A 4.1363 7.5562 120.6058 55.1615 18.7407 179.3661 30 F 4.7125 8.1454 116.4520 60.8626 38.8960 178.1279 31 M 4.6860 8.3065 117.7633 55.8884 32.2075 176.4223 32 M 4.3744 8.4881 124.8833 55.5939 32.8439 175.8126 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 2 N 8.28 4.73 0.00 3.05 3.09 0.00 0.00 6.14 6.34 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 3 T 7.82 4.11 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 1.19 0.00 0.00 4 D 8.21 4.28 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 5 Q 8.01 3.90 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 6 Q 8.48 3.95 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 7 K 8.48 3.98 0.00 1.93 1.80 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.58 7.81 8 V 8.11 3.29 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.79 0.00 0.00 9 S 8.10 3.97 0.00 3.97 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 10 E 8.19 3.90 0.00 2.12 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 0.00 2.30 2.36 0.00 11 I 7.77 3.77 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.46 1.04 0.00 0.00 12 F 8.52 4.55 0.00 3.10 3.03 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 13 Q 8.47 4.07 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 14 S 8.04 4.18 0.00 4.09 4.14 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 15 S 8.23 4.11 0.00 4.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 3.91 0.00 2.03 1.84 0.00 1.72 0.00 0.00 1.55 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.63 7.81 17 E 7.94 4.06 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 18 K 8.13 3.94 0.00 1.88 1.93 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.47 7.81 19 L 8.44 4.00 0.00 1.79 1.69 0.87 0.82 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 20 Q 7.99 4.08 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 21 G 8.10 3.72 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 0.00 22 D 8.54 4.38 0.00 2.64 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 23 A 7.97 3.98 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 24 K 7.80 3.93 0.00 1.80 1.92 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 25 V 7.55 3.49 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.90 0.00 0.00 26 V 7.50 3.23 1.98 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 0.24 0.00 0.00 0.77 0.00 0.00 27 S 8.18 3.95 0.00 3.85 3.94 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 28 D 8.46 4.32 0.00 2.79 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 29 A 7.56 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 4.71 0.00 3.19 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 31 M 8.31 4.69 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.89 0.00 32 M 8.49 4.37 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.84 0.00