NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8067 8.3249 119.2860 57.4570 40.3829 173.4848 2 V 4.4040 8.1152 114.1705 59.0835 34.8222 173.9867 3 N 4.6988 8.7045 119.7839 52.9085 40.2874 174.3405 4 Q 4.4896 8.0758 121.7172 54.8034 32.3432 173.4731 5 H 4.4868 8.6451 119.5133 55.0021 28.9960 175.1587 6 L 4.6835 8.4985 124.7205 53.1622 43.5395 175.7073 7 C 4.9620 8.3105 120.9703 58.5383 32.4906 175.3099 8 G 3.7723 8.4295 110.6405 46.5395 0.0000 177.2334 9 S 4.0305 8.5253 116.6405 61.2400 63.3891 176.3717 10 H 4.2085 7.8827 118.4618 58.2785 28.2185 177.5395 11 L 3.8714 7.5425 122.3380 58.3099 41.9494 179.4977 12 V 3.3957 7.3920 111.4647 63.8325 31.4703 178.3035 13 E 3.9268 8.1054 118.7274 59.2060 29.1995 179.0772 14 A 3.9448 7.8277 120.5372 54.9680 18.3863 179.6916 15 L 3.5332 7.5486 117.5115 57.8272 41.4942 178.9633 16 Y 4.1615 7.7470 119.5280 60.6634 38.4816 177.9771 17 L 3.7440 7.6469 119.8110 58.1856 42.2754 178.8787 18 V 3.5851 7.5530 116.9169 65.8833 31.8624 177.3614 19 C 4.2648 8.5270 116.7833 60.1806 28.7501 175.4243 20 G 3.5710 8.6832 109.2730 46.1837 0.0000 177.3019 21 E 4.0541 8.8894 122.4367 58.7193 29.4125 178.2786 22 R 3.8876 7.7605 117.9109 56.9878 30.2626 177.6230 23 G 4.0002 9.1245 104.7659 45.2566 0.0000 171.6763 24 F 4.9819 7.6244 112.5736 55.5694 40.6307 173.2526 25 F 4.9163 8.1528 115.1079 54.9994 40.0859 173.9419 26 Y 4.7392 8.9268 124.7130 56.2715 39.6657 174.9877 27 T 4.3860 7.8562 118.4503 58.3463 68.8368 172.5759 28 P 4.1342 0.0000 0.0000 66.0430 31.6637 178.7480 29 K 4.0373 7.8372 116.6690 58.1753 32.4115 176.6113 30 A 4.1695 7.5643 126.1339 52.3144 18.2687 177.0215 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 4.81 0.00 3.23 3.14 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 2 V 8.12 4.40 2.12 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 0.72 0.00 0.00 0.97 0.00 0.00 3 N 8.70 4.70 0.00 2.71 2.73 0.00 0.00 6.65 7.69 0.00 0.00 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 Q 8.08 4.49 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 5 H 8.65 4.49 0.00 3.16 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.50 4.68 0.00 1.57 1.56 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.31 4.96 0.00 2.97 2.81 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 8 G 8.43 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.53 4.03 0.00 3.89 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 H 7.88 4.21 0.00 3.28 3.35 0.00 5.62 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 11 L 7.54 3.87 0.00 1.75 1.73 0.88 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.39 3.40 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 -0.04 0.00 0.00 0.80 0.00 0.00 13 E 8.11 3.93 0.00 2.10 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 2.25 2.44 0.00 14 A 7.83 3.94 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 15 L 7.55 3.53 0.00 0.97 0.13 0.67 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.75 4.16 0.00 3.15 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 17 L 7.65 3.74 0.00 1.80 1.73 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.55 3.59 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 0.76 0.00 0.00 0.76 0.00 0.00 19 C 8.53 4.26 0.00 3.17 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 20 G 8.68 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.89 4.05 0.00 2.08 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 2.23 2.31 0.00 22 R 7.76 3.89 0.00 1.97 2.07 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 23 G 9.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.62 4.98 0.00 2.98 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 25 F 8.15 4.92 0.00 3.18 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 26 Y 8.93 4.74 0.00 3.19 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 27 T 7.86 4.39 4.25 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 1.32 0.00 0.00 28 P 0.00 4.13 0.00 2.07 2.08 0.00 3.22 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.40 0.00 29 K 7.84 4.04 0.00 1.74 1.89 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.41 7.81 30 A 7.56 4.17 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