NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.3695 8.1593 110.9392 61.6883 69.6309 175.7515 11 K 4.4594 8.0729 107.7173 56.1542 33.7063 172.2418 12 N 4.7869 8.1608 122.6209 55.7463 43.6184 174.6348 13 G 4.2573 7.6432 112.6751 45.2323 0.0000 171.8181 14 R 4.5334 7.5806 123.6199 54.8246 33.6044 174.0534 15 D 4.5265 7.9736 122.1405 53.8316 43.6999 175.9566 16 S 4.4229 8.6704 121.3118 57.3487 64.1093 174.1165 17 Q 4.1059 8.4701 121.0861 55.7149 28.9778 176.0332 18 A 4.1074 8.3447 122.0123 52.6976 18.8462 177.9571 19 K 4.1954 8.6083 119.5793 55.9192 33.5763 176.7707 20 R 3.7315 7.7767 116.9511 57.1716 27.3262 174.2493 21 L 4.5279 7.2605 116.8405 52.9191 44.5988 174.9395 22 G 3.6531 8.3505 104.9498 44.5921 0.0000 172.3758 23 V 3.4378 8.0120 118.7624 63.2721 31.5246 176.1691 24 K 4.0759 8.4747 126.9720 58.0392 32.7474 177.3475 25 R 4.6591 7.9452 115.6999 54.4299 32.6511 174.6095 26 Y 5.0857 8.8335 117.3430 55.5769 41.2586 175.0638 27 E 4.4124 9.0387 122.2114 58.1150 30.1255 176.7865 28 G 3.9643 8.9856 113.6651 45.6227 0.0000 172.4429 29 Q 4.7128 7.5921 117.5828 53.4054 30.9620 175.5520 30 V 4.0864 8.5203 124.3741 63.3635 32.4548 175.5181 31 V 4.5668 8.7220 119.4829 59.6816 36.0839 176.2506 32 R 4.5409 8.6818 122.7756 55.8914 31.7453 175.3106 33 A 4.3083 8.3654 122.6004 54.8382 18.5351 177.9317 34 G 4.1571 9.5038 109.9865 45.7044 0.0000 173.1227 35 N 4.2036 8.4254 117.9602 53.4558 38.8720 174.0028 36 I 4.0784 8.3662 124.0370 61.8699 37.5842 175.8251 37 L 4.1803 9.2241 127.4139 57.5307 42.9199 177.8960 38 V 4.3180 7.3577 116.4067 62.0887 34.8351 172.4128 39 R 4.8657 8.2582 126.7624 55.6029 31.7109 175.5401 40 Q 4.8214 8.3067 119.0282 55.3742 31.2444 175.0624 41 R 4.2813 8.9932 119.6501 58.9665 31.9967 177.4743 42 G 4.3090 8.1941 100.4594 46.1889 0.0000 173.7814 43 T 4.4386 8.5476 115.8195 62.5459 69.4193 175.1506 44 R 4.0729 8.2099 121.2734 58.6849 30.5796 177.1806 45 F 4.8075 8.4652 115.4710 55.7368 42.9919 174.4394 46 K 4.4057 9.2284 122.6971 52.9766 35.0295 178.4406 47 P 4.6800 0.0000 0.0000 61.5454 33.1574 179.3342 48 G 4.0386 8.9968 117.6958 45.2809 0.0000 172.3784 49 K 3.9608 8.8698 122.3906 57.2929 32.4764 176.8181 50 N 4.3573 8.9036 123.2684 53.7311 35.7047 174.8767 51 V 4.2188 7.5907 117.2718 61.9016 34.7171 174.3735 52 G 3.9226 7.5644 116.1827 45.1061 0.0000 171.2644 53 M 6.1670 7.8593 115.1119 54.6676 34.2593 174.5092 54 G 4.2031 8.6684 107.5825 44.3610 0.0000 173.8322 55 R 3.8625 8.7904 118.0664 59.2009 29.9377 177.4701 56 D 4.2695 7.8600 114.0253 52.8079 39.6325 176.2078 57 F 4.2099 8.4527 117.1701 59.0798 36.7368 174.7769 58 T 4.2533 8.2531 118.4780 63.5610 69.4647 173.7578 59 L 5.1428 9.0074 127.5896 53.7790 43.7856 175.8028 60 F 5.4527 8.3636 116.7159 55.1186 41.2749 173.6629 61 A 4.2987 8.7796 123.0922 52.7215 18.9676 177.8950 62 L 4.6832 8.4411 118.8771 54.8701 43.8356 176.2319 63 V 4.5779 7.5007 110.0373 60.0761 36.4652 173.7524 64 D 4.9840 9.1136 120.1087 51.9866 42.7919 177.5721 65 G 4.1506 7.0632 108.7589 46.4770 0.0000 171.2060 66 V 5.1028 7.3530 122.4608 59.9843 34.8741 176.1323 67 V 4.3900 8.3364 126.4393 62.9684 33.0173 174.3963 68 E 5.2503 9.2570 123.6159 55.0190 33.2118 173.7727 69 F 5.2164 9.5894 121.0409 55.9967 41.6492 175.4043 70 Q 4.4342 9.1830 123.4307 54.4585 31.7564 173.3252 71 D 4.8422 8.8322 126.8746 53.4354 42.3514 176.7385 72 R 4.6665 8.6346 124.1231 58.3718 32.9376 179.3937 73 G 3.6551 8.6068 108.0848 46.4126 0.0000 175.7457 74 R 3.9637 9.4968 119.8010 59.3854 30.8212 177.9679 75 L 4.0740 8.0577 116.5308 57.8317 42.1593 175.6351 76 G 3.6387 7.4959 102.5863 43.9740 0.0000 171.4381 77 R 4.9463 8.3000 117.4912 55.0903 31.7844 175.7039 78 Y 4.9523 9.0174 121.2132 55.4878 41.6109 174.9190 79 V 4.5490 8.3374 120.2558 61.7864 34.7455 174.0228 80 H 5.0811 9.0599 123.5331 54.2423 34.0221 172.0179 81 V 5.5011 8.6164 119.3941 60.3821 33.4254 175.1648 82 R 4.3930 8.6087 125.4754 54.5881 30.2963 174.3071 83 P 5.1201 0.0000 0.0000 62.1685 32.0542 175.6927 84 L 4.4364 7.9739 119.6667 56.0795 42.0039 173.8690 85 A 4.0971 8.4415 121.9895 53.1643 18.9018 176.3642 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 10 T 8.16 4.37 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 11 K 8.07 4.46 0.00 1.91 1.81 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.52 7.81 12 N 8.16 4.79 0.00 2.70 2.80 0.00 0.00 6.83 7.73 0.00 0.00 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 G 7.64 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.58 4.53 0.00 1.99 1.76 0.00 3.34 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 15 D 7.97 4.53 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.67 4.42 0.00 4.02 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 17 Q 8.47 4.11 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 18 A 8.34 4.11 1.26 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 0.00 0.00 0.00 0.00 0.00 19 K 8.61 4.20 0.00 1.76 1.86 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.39 7.81 20 R 7.78 3.73 0.00 1.92 1.95 0.00 3.19 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 21 L 7.26 4.53 0.00 1.61 1.64 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.35 3.65 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 0.00 0.00 0.00 23 V 8.01 3.44 1.95 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 0.40 0.00 0.00 0.79 0.00 0.00 24 K 8.47 4.08 0.00 1.77 1.75 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.34 7.81 25 R 7.95 4.66 0.00 1.76 1.79 0.00 3.11 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 26 Y 8.83 5.09 0.00 3.09 2.82 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 0.00 0.00 0.00 0.00 27 E 9.04 4.41 0.00 2.51 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.71 0.00 28 G 8.99 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 0.00 0.00 0.00 29 Q 7.59 4.71 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 30 V 8.52 4.09 2.10 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 0.79 0.00 0.00 0.95 0.00 0.00 31 V 8.72 4.57 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 0.96 0.00 0.00 1.00 0.00 0.00 32 R 8.68 4.54 0.00 1.91 1.93 0.00 3.37 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 33 A 8.37 4.31 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 34 G 9.50 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.43 4.20 0.00 2.82 2.80 0.00 0.00 7.14 7.19 0.00 0.00 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 I 8.37 4.08 1.87 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 1.42 0.44 0.98 0.00 0.00 37 L 9.22 4.18 0.00 1.55 1.59 0.78 0.65 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 V 7.36 4.32 1.87 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 0.68 0.00 0.00 0.69 0.00 0.00 39 R 8.26 4.87 0.00 1.83 1.81 0.00 3.17 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 40 Q 8.31 4.82 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.07 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 41 R 8.99 4.28 0.00 1.90 2.09 0.00 3.19 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 42 G 8.19 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.55 4.44 4.01 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 0.00 0.00 1.04 0.00 0.00 44 R 8.21 4.07 0.00 2.18 2.19 0.00 3.23 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 45 F 8.47 4.81 0.00 2.88 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 46 K 9.23 4.41 0.00 0.79 0.87 0.00 0.94 0.00 0.00 1.24 0.00 0.00 2.67 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.04 0.95 7.81 47 P 0.00 4.68 0.00 2.09 1.18 0.00 3.49 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 48 G 9.00 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 0.00 0.00 0.00 49 K 8.87 3.96 0.00 1.79 1.73 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.42 1.20 7.81 50 N 8.90 4.36 0.00 3.01 2.86 0.00 0.00 6.48 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 51 V 7.59 4.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.96 0.00 0.00 52 G 7.56 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 53 M 7.86 6.17 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 54 G 8.67 4.20 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 0.00 55 R 8.79 3.86 0.00 1.71 1.92 0.00 3.16 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 56 D 7.86 4.27 0.00 2.69 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 57 F 8.45 4.21 0.00 3.21 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.25 4.25 4.35 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 1.28 0.00 0.00 59 L 9.01 5.14 0.00 1.54 1.52 0.92 0.96 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 60 F 8.36 5.45 0.00 3.32 3.07 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 0.00 0.00 0.00 0.00 61 A 8.78 4.30 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.44 4.68 0.00 1.51 1.67 0.83 0.84 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 63 V 7.50 4.58 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 0.75 0.00 0.00 0.92 0.00 0.00 64 D 9.11 4.98 0.00 2.67 2.57 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 65 G 7.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.35 5.10 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 1.46 0.00 0.00 0.95 0.00 0.00 67 V 8.34 4.39 2.37 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 0.66 0.00 0.00 0.96 0.00 0.00 68 E 9.26 5.25 0.00 2.07 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 0.00 2.40 2.39 0.00 69 F 9.59 5.22 0.00 2.95 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 70 Q 9.18 4.43 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 71 D 8.83 4.84 0.00 2.74 2.57 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 72 R 8.63 4.67 0.00 2.10 1.82 0.00 3.19 0.00 0.00 3.31 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 73 G 8.61 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 9.50 3.96 0.00 1.82 2.03 0.00 3.38 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 75 L 8.06 4.07 0.00 1.89 2.01 0.86 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.50 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.30 4.95 0.00 1.15 1.59 0.00 2.81 0.00 0.00 2.78 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 0.00 78 Y 9.02 4.95 0.00 2.87 2.76 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 79 V 8.34 4.55 1.88 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 0.04 0.00 0.00 0.89 0.00 0.00 80 H 9.06 5.08 0.00 3.00 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.62 5.50 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.89 0.00 0.00 82 R 8.61 4.39 0.00 1.93 2.08 0.00 3.04 0.00 0.00 3.41 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 83 P 0.00 5.12 0.00 2.09 2.10 0.00 3.44 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 84 L 7.97 4.44 0.00 1.73 1.66 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.44 4.10 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