NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4837 8.2185 120.1902 54.3983 43.4264 177.1549 2 A 3.8799 7.6577 120.3514 53.4495 18.5417 175.9999 3 E 3.9706 9.1089 116.2732 60.0236 29.9570 177.1146 4 F 3.8419 8.3572 118.2192 60.5552 39.1931 177.0696 5 R 4.2654 8.6353 116.8753 58.7627 30.0037 177.9931 6 H 4.3622 8.4455 119.8546 58.5684 29.8900 176.4037 7 D 4.4173 8.5792 120.1448 57.7307 41.0480 178.6488 8 S 4.1532 8.0693 113.1771 61.7383 62.4287 176.1951 9 G 3.8577 8.2678 106.7741 46.3971 0.0000 174.6430 10 Y 3.9580 8.0907 122.7041 60.8899 38.7706 177.3964 11 E 4.1533 8.2576 118.7396 59.3807 29.9530 179.1799 12 V 3.6421 7.7995 118.1285 66.0299 31.5023 177.3134 13 H 3.9639 8.1453 118.3285 59.6965 29.6996 176.6590 14 H 4.1850 8.0744 116.2877 58.9076 27.9245 177.1352 15 Q 3.8417 7.8082 122.0931 58.8889 28.9565 178.1103 16 K 3.9666 7.8823 120.1341 59.5604 32.4753 178.4067 17 L 4.0244 7.9816 120.5341 58.0044 41.9384 178.9746 18 V 3.7817 8.0563 118.3826 65.4912 31.4604 177.8067 19 F 3.8159 8.4661 120.8055 60.8127 39.1185 177.0628 20 F 4.1315 8.6301 120.4202 61.1474 39.1979 177.1839 21 A 4.1184 8.3561 120.0545 54.7539 18.1542 179.5661 22 E 3.8315 8.1073 117.6312 59.8471 29.5719 178.5760 23 D 4.3321 7.9683 119.1493 56.5949 40.8292 178.6789 24 V 3.4447 7.5568 119.4539 66.1203 31.7385 178.4955 25 G 4.1415 7.5570 105.9564 47.1730 0.0000 175.0737 26 S 4.0791 7.4685 115.1151 60.5009 63.2026 176.1214 27 N 4.9375 7.8383 117.5069 52.3667 36.0684 174.7140 28 K 4.1434 8.0058 123.9088 57.4287 32.4530 176.8658 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 D 8.22 4.48 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 2 A 7.66 3.88 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.11 3.97 0.00 2.21 2.26 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 2.47 2.64 0.00 4 F 8.36 3.84 0.00 3.22 3.21 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 0.00 0.00 0.00 0.00 5 R 8.64 4.27 0.00 1.94 2.03 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.94 0.00 6 H 8.45 4.36 0.00 3.45 3.32 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.58 4.42 0.00 2.65 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 8 S 8.07 4.15 0.00 4.02 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 9 G 8.27 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.09 3.96 0.00 3.24 3.17 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 0.00 0.00 0.00 0.00 11 E 8.26 4.15 0.00 2.12 2.11 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 2.49 2.49 0.00 12 V 7.80 3.64 2.24 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 0.92 0.00 0.00 0.95 0.00 0.00 13 H 8.15 3.96 0.00 3.39 3.36 0.00 5.86 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.07 4.18 0.00 3.39 3.54 0.00 5.32 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.81 3.84 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 16 K 7.88 3.97 0.00 1.76 1.78 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.52 1.39 7.81 17 L 7.98 4.02 0.00 1.73 1.69 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.06 3.78 2.41 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 0.90 0.00 0.00 1.08 0.00 0.00 19 F 8.47 3.82 0.00 3.40 3.09 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 0.00 0.00 0.00 20 F 8.63 4.13 0.00 3.25 3.04 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 21 A 8.36 4.12 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 3.83 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 23 D 7.97 4.33 0.00 2.86 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 3.44 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 0.00 0.00 0.54 0.00 0.00 -0.64 0.00 0.00 25 G 7.56 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 0.00 0.00 0.00 26 S 7.47 4.08 0.00 3.87 4.09 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 0.00 0.00 0.00 27 N 7.84 4.94 0.00 2.87 2.79 0.00 0.00 6.94 7.16 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 28 K 8.01 4.14 0.00 1.85 1.72 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.49 7.81