NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4288 8.2893 120.3262 54.1004 32.4420 174.3846 2 P 4.2648 0.0000 0.0000 62.4189 32.9840 176.0542 3 R 4.1814 8.8624 119.7343 57.2022 32.2967 177.5281 4 L 4.9848 8.8985 120.1908 52.9819 44.6976 175.1524 5 K 4.5752 8.7978 126.1739 56.1001 33.8974 175.7613 6 V 4.7680 8.8543 126.7181 61.1462 35.1902 173.4868 7 K 5.3839 8.2539 128.1635 53.5114 34.6062 174.7185 8 L 4.4411 8.5315 130.2766 55.5452 42.4281 177.2165 9 V 4.4739 9.1714 118.6172 60.4196 34.5100 175.6002 10 K 4.2993 7.9041 120.5071 53.8526 33.1661 175.2449 11 S 4.0453 8.6818 121.1541 58.4530 62.6362 172.5311 12 P 4.0847 0.0000 0.0000 63.7390 31.8060 175.5912 13 I 3.8951 7.3089 120.4506 64.7164 36.7633 176.0294 14 G 4.0960 9.1671 113.7598 45.3662 0.0000 172.3614 15 Y 4.4800 8.0995 117.3442 55.5391 39.8032 174.1923 16 P 4.3068 0.0000 0.0000 62.8490 33.2621 177.2949 17 K 3.8783 8.7316 122.1827 59.8939 32.1648 178.5133 18 D 4.3990 8.2833 118.7498 57.0586 38.6515 178.7994 19 Q 3.9847 7.9979 117.5933 58.4324 29.0196 178.0739 20 K 4.0157 7.8840 119.2419 59.7605 32.2081 179.1689 21 A 4.0281 8.3319 120.5485 54.9628 18.2108 179.5067 22 A 3.9934 7.9107 119.5586 55.2509 18.3597 179.1529 23 L 4.1741 7.7228 114.3530 55.4376 41.5391 178.2838 24 K 4.2224 7.9099 120.9315 58.1876 32.9247 178.1451 25 A 4.0471 7.9561 120.1509 54.7723 18.5315 178.1935 26 L 4.1666 8.0022 114.7168 54.8166 42.4052 175.9159 27 G 3.6723 7.5926 107.9487 45.4875 0.0000 171.5233 28 L 5.3594 9.1392 119.6609 52.0844 43.3734 176.7865 29 R 3.9371 8.2676 125.5724 56.4963 30.3867 180.3513 30 R 4.4815 7.5958 121.9111 54.8182 32.7421 176.1492 31 L 4.2110 8.2176 119.0889 55.3882 42.7672 175.9814 32 Q 3.4092 8.5784 118.1967 56.6951 27.2238 173.5580 33 Q 4.4988 7.7714 117.8003 54.8950 30.6458 174.7897 34 E 4.5237 8.7497 125.6042 56.5850 31.0913 176.6551 35 R 4.0613 7.9679 116.5205 56.2030 33.5552 173.5752 36 V 4.9417 8.2718 128.7659 60.7252 30.3816 174.6977 37 L 4.4588 7.7270 125.8139 53.2717 44.2730 175.7279 38 E 4.5517 8.5079 120.0854 55.6643 30.8228 176.7450 39 D 5.0581 7.4021 115.7036 53.7290 39.5677 176.5555 40 T 4.3364 7.5045 110.4412 60.3173 70.6604 174.3604 41 P 4.3305 0.0000 0.0000 66.3762 31.5118 178.2139 42 A 4.0938 7.9841 119.2624 54.7501 18.3543 179.1419 43 I 3.6462 7.9821 116.9542 64.5415 37.2832 178.6163 44 R 3.9713 8.6068 119.1931 59.5054 29.9196 178.9065 45 G 3.9802 7.8197 104.5617 48.2634 0.0000 174.8529 46 N 4.2653 8.1258 117.7811 56.0524 38.5265 176.8624 47 V 3.6698 7.6042 118.8747 66.2160 31.3678 177.7836 48 E 3.9517 8.4775 119.0625 59.2565 29.4655 178.6351 49 K 4.3367 7.9776 115.0642 57.7793 32.1334 177.7810 50 V 4.2200 7.3768 110.9109 60.6701 33.8610 177.0384 51 A 3.9724 8.3661 127.2940 55.6980 18.1427 179.8626 52 H 4.5936 7.9789 107.5032 56.5987 28.7986 175.5487 53 L 4.6090 8.1316 120.1043 54.5837 43.8003 176.3486 54 V 4.8457 7.3597 110.5968 59.5265 35.1093 175.5943 55 R 4.3094 8.6130 124.7633 54.9730 30.6474 176.4484 56 V 3.9862 8.3012 124.3131 63.0387 32.8885 175.1166 57 E 4.6299 9.1598 124.4888 54.6861 33.7671 174.8017 58 V 3.9284 8.5519 125.1130 62.1995 32.4150 175.8446 59 V 4.0835 8.1931 128.0862 62.9967 31.8008 175.1088 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 M 8.29 4.43 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 P 0.00 4.26 0.00 2.44 2.20 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 3 R 8.86 4.18 0.00 1.84 1.91 0.00 3.06 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 4 L 8.90 4.98 0.00 1.71 1.53 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.80 4.58 0.00 1.86 1.66 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.38 7.81 6 V 8.85 4.77 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.01 0.00 0.00 7 K 8.25 5.38 0.00 1.99 1.61 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.29 7.81 8 L 8.53 4.44 0.00 1.70 1.51 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.17 4.47 2.06 0.00 0.00 0.00 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 10 K 7.90 4.30 0.00 1.60 1.54 0.00 1.87 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.31 7.81 11 S 8.68 4.05 0.00 3.85 3.78 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 0.00 0.00 0.00 12 P 0.00 4.08 0.00 2.24 2.18 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 13 I 7.31 3.90 1.92 0.00 0.00 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 1.25 0.83 0.95 0.00 0.00 14 G 9.17 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.10 4.48 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.36 2.00 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 17 K 8.73 3.88 0.00 1.80 1.83 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.47 7.81 18 D 8.28 4.40 0.00 2.92 2.96 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 19 Q 8.00 3.98 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 20 K 7.88 4.02 0.00 1.97 1.89 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.21 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.66 7.81 21 A 8.33 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 4.17 0.00 1.85 1.67 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.91 4.22 0.00 1.81 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.42 7.81 25 A 7.96 4.05 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 26 L 8.00 4.17 0.00 1.65 1.72 0.90 0.67 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 27 G 7.59 3.67 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 0.00 0.00 0.00 28 L 9.14 5.36 0.00 1.44 1.57 0.93 0.85 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 29 R 8.27 3.94 0.00 1.79 1.79 0.00 3.35 0.00 0.00 3.27 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 30 R 7.60 4.48 0.00 1.90 1.96 0.00 3.02 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 31 L 8.22 4.21 0.00 1.60 1.59 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.58 3.41 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.45 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 33 Q 7.77 4.50 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.66 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 34 E 8.75 4.52 0.00 1.89 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 2.30 2.24 0.00 35 R 7.97 4.06 0.00 1.99 1.89 0.00 3.09 0.00 0.00 3.08 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 36 V 8.27 4.94 2.08 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 1.12 0.00 0.00 0.92 0.00 0.00 37 L 7.73 4.46 0.00 1.64 1.58 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.51 4.55 0.00 1.83 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 0.00 2.31 2.36 0.00 39 D 7.40 5.06 0.00 2.86 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.50 4.34 4.24 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 1.21 0.00 0.00 41 P 0.00 4.33 0.00 2.04 2.19 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 42 A 7.98 4.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.90 0.00 0.00 44 R 8.61 3.97 0.00 1.98 1.99 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 45 G 7.82 3.98 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 0.00 0.00 0.00 46 N 8.13 4.27 0.00 2.83 2.90 0.00 0.00 6.80 7.68 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 47 V 7.60 3.67 2.20 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 0.97 0.00 0.00 0.96 0.00 0.00 48 E 8.48 3.95 0.00 2.04 2.17 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 2.32 2.36 0.00 49 K 7.98 4.34 0.00 1.77 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.64 7.81 50 V 7.38 4.22 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 0.72 0.00 0.00 1.00 0.00 0.00 51 A 8.37 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.98 4.59 0.00 3.27 3.46 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.13 4.61 0.00 1.59 1.69 0.63 0.34 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 54 V 7.36 4.85 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 0.63 0.00 0.00 0.95 0.00 0.00 55 R 8.61 4.31 0.00 1.74 1.87 0.00 3.28 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 56 V 8.30 3.99 2.07 0.00 0.00 0.00 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 0.92 0.00 0.00 57 E 9.16 4.63 0.00 1.94 1.76 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 2.36 2.37 0.00 58 V 8.55 3.93 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 59 V 8.19 4.08 2.08 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 0.88 0.00 0.00 0.98 0.00 0.00