NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5567 8.3049 120.3270 54.6364 34.0095 175.3751 2 K 3.8823 8.9532 126.9618 57.2396 31.0557 177.6255 3 A 4.0108 9.3776 135.0000 54.5443 20.6585 180.3889 4 K 3.8071 8.3000 116.7137 59.7373 32.2438 177.5169 5 E 4.0198 7.6795 116.5993 59.1551 29.6684 177.1428 6 L 4.0507 7.8054 120.2256 55.7018 42.6458 177.8848 7 R 4.1197 8.6580 118.6505 57.0560 29.8741 177.6110 8 E 3.8690 8.0247 115.9288 57.0230 29.8655 174.1194 9 K 3.8610 7.2252 126.8653 55.4604 33.9633 176.4335 10 S 4.0227 8.4452 119.8779 61.6547 61.6719 176.6721 11 V 3.5523 7.9707 121.6522 65.9840 30.9283 177.4858 12 E 3.9341 8.2162 117.5752 59.6693 29.2907 178.8114 13 E 4.2397 8.2569 117.6876 60.0404 29.3625 179.4231 14 L 3.9647 8.0500 118.4422 57.3752 41.7515 178.5237 15 N 4.8481 7.4856 115.4897 54.2964 38.8640 176.3919 16 T 3.8996 8.7966 119.7640 66.5614 68.4945 175.8759 17 E 3.9770 8.2899 119.6700 59.4123 29.4268 178.8530 18 L 3.8737 7.4118 119.9480 58.3946 41.6662 178.8845 19 L 3.9699 7.7651 118.1023 58.1786 41.3697 178.8636 20 N 4.9982 8.0853 116.8129 56.2122 38.4639 176.8741 21 L 4.2671 8.1031 119.6979 56.7404 41.7052 176.6523 22 L 3.7451 8.1690 124.9634 56.3685 43.1451 176.1280 23 R 4.4641 8.8752 129.5670 57.5332 28.8105 178.5335 24 E 4.2422 7.5726 117.4953 58.3735 29.7892 178.1622 25 Q 4.4059 7.7225 116.9404 56.2702 31.4045 176.9423 26 F 4.2724 8.4261 119.8035 61.2269 39.4055 176.7089 27 N 4.2305 8.8141 116.4084 56.5058 38.2084 176.9946 28 L 3.9498 7.8891 118.1435 58.1263 41.9275 179.2147 29 R 4.0070 7.4681 117.4826 59.7613 30.0427 178.9244 30 M 3.9906 7.5534 117.2562 58.4271 31.9751 178.3187 31 Q 4.1316 8.4082 117.9622 57.9481 29.4745 176.5958 32 A 4.9681 8.0565 120.3107 53.3772 20.9898 177.6381 33 A 4.5460 8.4305 117.4074 52.4702 18.0614 178.8757 34 S 4.5479 8.3638 111.2866 61.2438 67.2062 174.9718 35 G 3.9960 7.7174 108.6296 42.5214 0.0000 174.8055 36 Q 2.8748 9.2447 123.3365 57.3353 27.7459 175.5107 37 L 3.5359 8.1682 106.2424 57.7077 38.2888 174.7433 38 Q 4.3065 8.0412 117.5369 56.3138 29.2919 175.8459 39 Q 4.7163 7.5995 118.2176 54.3391 30.7581 175.3720 40 S 4.5995 8.7809 117.1479 60.4647 64.5464 175.9857 41 H 4.0971 8.5173 118.6292 58.2719 27.4871 177.0878 42 L 3.9414 7.6312 120.5059 57.6705 40.2667 178.8497 43 L 4.1055 8.1107 119.1821 57.7105 41.2567 179.0744 44 K 3.7240 8.0986 118.9190 60.8864 32.1905 177.8121 45 Q 4.2799 8.8985 117.9237 56.4456 31.1778 175.4188 46 V 3.6571 8.6227 123.8776 65.4258 31.3285 174.9584 47 R 3.9214 7.1323 116.3600 59.5738 29.8199 179.2896 48 R 4.0483 7.6267 117.3851 59.3012 30.0460 178.8815 49 D 4.3673 8.0021 118.3548 57.4399 40.3937 178.8864 50 V 3.5668 7.9793 118.5021 65.7664 31.4499 177.5222 51 A 4.0545 8.2707 121.0043 55.9772 18.1322 179.1984 52 R 3.9650 8.7825 116.8139 59.6153 29.9005 179.0398 53 V 3.5920 7.8668 118.2806 66.4890 31.7454 178.2496 54 K 4.0554 9.2394 118.4016 59.7582 31.7656 179.4524 55 T 3.9007 8.5807 116.8303 67.3541 68.5366 175.1691 56 L 4.4730 8.2531 120.2301 54.4923 43.7725 176.0131 57 L 3.9900 8.1924 124.7365 56.9453 42.1910 176.3334 58 N 4.2878 7.0251 117.6252 55.6566 39.6983 176.2767 59 E 3.4685 8.0965 116.0772 59.3753 29.7996 179.6499 60 K 3.9034 7.4837 118.4716 58.9658 32.2726 177.5697 61 A 3.8780 8.5086 122.1885 53.9085 18.4761 177.5323 62 G 4.1997 8.8725 113.2723 46.0752 0.0000 173.6251 63 A 4.2568 8.0668 127.4109 51.9075 19.0768 177.9935 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 8.30 4.56 0.00 2.01 2.41 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 8.95 3.88 0.00 1.90 1.57 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.50 7.81 3 A 9.38 4.01 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 4 K 8.30 3.81 0.00 1.72 1.88 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.44 7.81 5 E 7.68 4.02 0.00 2.12 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 0.00 2.58 2.37 0.00 6 L 7.81 4.05 0.00 1.67 1.70 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.66 4.12 0.00 2.10 2.03 0.00 3.28 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 8 E 8.02 3.87 0.00 2.34 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 0.00 2.60 2.39 0.00 9 K 7.23 3.86 0.00 1.98 1.74 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.40 7.81 10 S 8.45 4.02 0.00 4.09 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 11 V 7.97 3.55 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 1.06 0.00 0.00 0.93 0.00 0.00 12 E 8.22 3.93 0.00 2.40 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 0.00 2.65 2.40 0.00 13 E 8.26 4.24 0.00 2.07 2.03 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 2.56 2.39 0.00 14 L 8.05 3.96 0.00 1.58 1.77 0.92 1.00 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 15 N 7.49 4.85 0.00 3.10 3.02 0.00 0.00 6.83 7.10 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 16 T 8.80 3.90 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 17 E 8.29 3.98 0.00 2.19 2.23 0.00 0.00 0.00 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 2.67 0.00 18 L 7.41 3.87 0.00 1.74 1.94 0.90 0.57 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 19 L 7.77 3.97 0.00 2.03 1.72 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.09 5.00 0.00 3.00 2.87 0.00 0.00 7.62 6.74 0.00 0.00 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 L 8.10 4.27 0.00 1.72 1.73 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.17 3.75 0.00 1.52 1.77 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.88 4.46 0.00 2.09 2.31 0.00 3.37 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 24 E 7.57 4.24 0.00 1.92 2.23 0.00 0.00 0.00 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 2.28 0.00 25 Q 7.72 4.41 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 26 F 8.43 4.27 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 27 N 8.81 4.23 0.00 2.95 2.90 0.00 0.00 7.08 6.60 0.00 0.00 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 7.89 3.95 0.00 1.75 1.74 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.47 4.01 0.00 1.65 1.85 0.00 3.00 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 30 M 7.55 3.99 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 31 Q 8.41 4.13 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 32 A 8.06 4.97 1.31 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 33 A 8.43 4.55 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.55 0.00 4.02 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 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 36 Q 9.24 2.87 0.00 2.41 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.42 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 37 L 8.17 3.54 0.00 1.98 1.75 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.04 4.31 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 39 Q 7.60 4.72 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 40 S 8.78 4.60 0.00 4.03 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 41 H 8.52 4.10 0.00 3.40 3.61 0.00 5.48 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.63 3.94 0.00 1.55 1.72 0.59 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.11 4.11 0.00 1.79 1.70 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.10 3.72 0.00 1.87 2.04 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.62 7.81 45 Q 8.90 4.28 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.78 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 46 V 8.62 3.66 2.22 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 1.04 0.00 0.00 0.97 0.00 0.00 47 R 7.13 3.92 0.00 2.10 1.96 0.00 3.19 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 1.65 1.97 0.00 48 R 7.63 4.05 0.00 1.72 1.99 0.00 3.14 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 49 D 8.00 4.37 0.00 2.92 2.92 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 50 V 7.98 3.57 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 1.02 0.00 0.00 1.07 0.00 0.00 51 A 8.27 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.78 3.96 0.00 2.00 1.95 0.00 3.16 0.00 0.00 3.10 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 53 V 7.87 3.59 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 0.83 0.00 0.00 1.04 0.00 0.00 54 K 9.24 4.06 0.00 2.08 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.64 7.81 55 T 8.58 3.90 4.40 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 1.21 0.00 0.00 56 L 8.25 4.47 0.00 1.78 1.65 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.19 3.99 0.00 1.89 1.76 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.03 4.29 0.00 2.80 2.94 0.00 0.00 6.96 7.53 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 59 E 8.10 3.47 0.00 2.36 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 0.00 2.30 2.58 0.00 60 K 7.48 3.90 0.00 2.15 1.93 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.55 7.81 61 A 8.51 3.88 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 62 G 8.87 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 63 A 8.07 4.26 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00