NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4654 8.1633 118.3257 55.3502 33.5889 173.4381 2 Q 4.8183 8.2163 117.9261 52.5904 31.1932 173.4780 3 I 4.6317 9.0338 117.0628 59.1210 42.3724 173.4271 4 F 5.4536 9.0942 120.4453 55.6472 42.4825 175.1051 5 V 4.8090 8.7102 121.7092 60.9339 34.5392 174.2963 6 K 4.6059 8.9921 131.0945 56.2984 33.2991 176.6782 7 T 4.8281 8.7907 118.6890 60.3667 71.1309 175.4835 8 L 4.3092 8.4613 119.8726 56.2773 42.0561 178.7607 9 T 3.9671 7.3750 116.1799 67.2009 68.5074 174.7312 10 G 3.8218 7.8852 110.2249 45.5357 0.0000 174.4458 11 K 4.0464 8.1529 122.4609 56.9800 33.2366 175.6648 12 T 5.1564 8.5274 124.0956 61.9965 70.2814 173.8837 13 I 4.7964 8.6590 119.1373 59.3246 41.2217 174.2507 14 T 5.0101 8.4039 112.2399 60.0825 71.2865 173.7012 15 L 4.7870 8.2734 122.1444 52.9061 45.9859 175.6460 16 E 4.6435 8.7891 122.9122 56.3400 29.7671 176.4327 17 V 4.6988 8.6898 117.5973 59.6690 36.1826 174.8449 18 E 4.7399 9.6680 121.5150 53.9615 32.1870 175.9825 19 P 4.2547 0.0000 0.0000 65.4129 31.5871 178.1332 20 S 4.4794 7.8783 110.1986 58.3471 63.7047 173.8883 21 D 4.4708 7.9782 123.3790 54.2418 41.4226 176.3747 22 T 4.5231 8.2659 114.0855 61.4908 70.8552 175.7353 23 I 3.7526 8.3684 122.6752 64.4938 37.0235 178.7006 24 E 3.6729 8.2134 117.9907 59.2417 29.1708 178.6140 25 N 4.2386 7.9069 118.1331 56.5684 39.0564 177.0372 26 V 3.5313 7.5586 119.1471 65.8816 31.6593 177.7711 27 K 4.6057 9.0639 120.1919 59.0889 31.9677 179.0748 28 A 4.0305 8.2887 120.8382 55.0787 18.4134 179.8123 29 K 4.0457 8.3268 117.0270 59.0781 31.9297 179.7837 30 I 3.8514 7.6247 120.6966 64.1501 37.0738 177.6823 31 Q 4.1552 7.8125 121.7437 58.8281 28.5865 178.2534 32 D 4.3419 7.8014 118.1444 57.0957 40.9095 178.3291 33 K 4.2269 7.3836 116.8591 58.2578 32.8969 177.5712 34 E 4.4995 9.1264 116.9412 55.7795 30.8168 177.2756 35 G 3.9475 8.2607 107.1141 44.9425 0.0000 173.7213 36 I 3.7014 7.5528 121.1140 60.6838 37.4480 173.6861 37 P 4.3475 0.0000 0.0000 61.9257 32.0303 175.6328 38 P 4.2266 0.0000 0.0000 65.7073 31.3897 177.9636 39 D 4.5269 8.1075 115.5783 55.1970 39.3711 176.5692 40 Q 4.4671 8.0562 117.9535 55.7185 29.7554 175.1781 41 Q 4.3748 7.7948 119.0671 54.6287 29.9886 174.5384 42 R 4.6981 8.3828 121.9889 54.6833 33.3317 173.3825 43 L 5.1975 8.5121 126.5055 53.2165 44.4115 175.5424 44 I 5.0408 9.2378 124.5143 59.4316 40.7105 174.2826 45 F 5.1189 8.6899 128.2329 56.5677 42.4753 174.6494 46 A 3.4665 9.0103 129.2856 53.2139 15.6830 176.9448 47 G 3.8651 8.2087 103.2687 47.0894 0.0000 173.8550 48 K 4.5407 7.9044 119.9118 53.8141 35.1058 175.3884 49 Q 4.5642 8.7482 125.2903 56.2284 29.3793 175.4957 50 L 4.2387 8.3513 124.0570 53.4353 42.9407 175.9717 51 E 4.7422 9.5507 123.8139 54.4471 31.9198 175.7389 52 D 4.5794 8.6539 122.6490 56.2022 41.4012 177.1528 53 G 3.9867 9.6559 111.0058 45.4164 0.0000 173.3992 54 R 4.7372 7.5948 117.0062 54.2837 32.2084 175.5535 55 T 4.7847 8.6499 111.4640 60.1017 70.7709 175.9303 56 L 4.3914 8.4351 121.4673 57.5528 41.7543 179.9204 57 S 4.2373 8.1567 113.1107 60.4020 63.4627 176.1996 58 D 4.2070 7.7312 120.5749 57.0651 40.4965 176.6577 59 Y 4.4340 7.3611 114.3994 57.1203 38.4300 174.6137 60 N 4.1310 7.5688 117.6519 54.4917 37.7975 174.5162 61 I 3.7529 8.0513 118.6032 60.7211 37.8464 176.3621 62 Q 4.5502 8.0306 124.1460 53.0695 30.9963 175.0426 63 K 3.9461 8.3437 117.5492 59.1633 32.3694 176.5303 64 E 3.8098 9.4488 120.8331 57.0371 27.6764 174.8519 65 S 4.5487 7.7506 115.0430 59.2012 64.2746 173.2525 66 T 5.1932 8.7157 118.5379 62.1321 70.2299 173.8799 67 L 5.0547 9.0882 126.9869 53.6957 44.4667 175.1844 68 H 5.1199 9.3385 119.1030 53.9462 31.7802 172.9519 69 L 4.8848 8.3343 124.8578 54.4771 42.9270 176.0073 70 V 4.6924 8.7760 118.2193 59.7148 35.8082 174.7401 71 L 4.8186 8.4045 120.8654 52.9744 44.5818 176.5186 72 R 4.3863 8.3152 119.6529 55.5636 31.1094 177.3460 73 L 4.5798 7.9969 122.6413 52.6178 41.0968 175.7399 74 R 4.1002 8.0418 120.8380 56.2169 31.0586 177.2762 75 G 3.7428 8.3574 109.4686 46.2502 0.0000 172.9315 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 8.16 4.47 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 2 Q 8.22 4.82 0.00 1.94 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.68 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 3 I 9.03 4.63 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.78 0.84 0.00 0.00 4 F 9.09 5.45 0.00 3.15 2.91 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 0.00 0.00 0.00 5 V 8.71 4.81 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 0.95 0.00 0.00 0.93 0.00 0.00 6 K 8.99 4.61 0.00 1.74 1.40 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.34 7.81 7 T 8.79 4.83 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 1.27 0.00 0.00 8 L 8.46 4.31 0.00 1.66 1.76 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.37 3.97 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 10 G 7.89 3.82 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 0.00 0.00 0.00 11 K 8.15 4.05 0.00 1.85 1.70 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.49 7.81 12 T 8.53 5.16 4.23 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 1.31 0.00 0.00 13 I 8.66 4.80 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.93 0.00 0.00 14 T 8.40 5.01 4.05 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 0.00 0.00 1.26 0.00 0.00 15 L 8.27 4.79 0.00 1.51 1.49 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.79 4.64 0.00 1.81 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 0.00 2.26 2.29 0.00 17 V 8.69 4.70 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 0.64 0.00 0.00 0.91 0.00 0.00 18 E 9.67 4.74 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 19 P 0.00 4.25 0.00 2.16 2.09 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.88 4.48 0.00 3.97 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 21 D 7.98 4.47 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.52 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 23 I 8.37 3.75 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.34 0.91 0.00 0.00 24 E 8.21 3.67 0.00 2.16 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 2.37 2.32 0.00 25 N 7.91 4.24 0.00 2.81 2.91 0.00 0.00 6.73 7.60 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 26 V 7.56 3.53 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 0.95 0.00 0.00 0.99 0.00 0.00 27 K 9.06 4.61 0.00 1.87 1.87 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.43 7.81 28 A 8.29 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 29 K 8.33 4.05 0.00 1.95 1.85 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.58 7.81 30 I 7.62 3.85 2.17 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.10 0.91 0.00 0.00 31 Q 7.81 4.16 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 32 D 7.80 4.34 0.00 2.91 2.73 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 0.00 0.00 0.00 0.00 33 K 7.38 4.23 0.00 1.93 1.81 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.46 7.81 34 E 9.13 4.50 0.00 2.05 1.97 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 2.26 2.44 0.00 35 G 8.26 3.95 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 0.00 0.00 0.00 36 I 7.55 3.70 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 1.42 1.12 0.91 0.00 0.00 37 P 0.00 4.35 0.00 2.17 1.98 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.23 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.11 4.53 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.06 4.47 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 41 Q 7.79 4.37 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 42 R 8.38 4.70 0.00 1.84 1.88 0.00 3.16 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 43 L 8.51 5.20 0.00 1.60 1.52 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 I 9.24 5.04 1.89 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 1.10 0.53 0.88 0.00 0.00 45 F 8.69 5.12 0.00 3.00 2.78 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 46 A 9.01 3.47 0.38 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 47 G 8.21 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 0.00 0.00 0.00 48 K 7.90 4.54 0.00 1.75 1.72 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 49 Q 8.75 4.56 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 L 8.35 4.24 0.00 1.39 1.28 0.72 -0.29 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 51 E 9.55 4.74 0.00 1.99 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 2.38 0.00 52 D 8.65 4.58 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.66 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.59 4.74 0.00 2.15 1.76 0.00 3.03 0.00 0.00 3.04 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 55 T 8.65 4.78 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 56 L 8.44 4.39 0.00 1.90 1.73 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.16 4.24 0.00 4.01 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 4.21 0.00 2.42 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 0.00 0.00 0.00 0.00 59 Y 7.36 4.43 0.00 3.18 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 60 N 7.57 4.13 0.00 2.83 2.98 0.00 0.00 7.15 7.81 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 61 I 8.05 3.75 1.84 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.41 0.56 0.00 0.00 62 Q 8.03 4.55 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 63 K 8.34 3.95 0.00 1.82 1.83 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.51 7.81 64 E 9.45 3.81 0.00 2.20 2.39 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 2.32 2.21 0.00 65 S 7.75 4.55 0.00 3.64 3.60 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 0.00 0.00 0.00 0.00 66 T 8.72 5.19 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 1.26 0.00 0.00 67 L 9.09 5.05 0.00 1.59 1.60 0.84 0.50 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 68 H 9.34 5.12 0.00 3.14 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.33 4.88 0.00 1.88 1.56 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.78 4.69 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 0.76 0.00 0.00 1.02 0.00 0.00 71 L 8.40 4.82 0.00 1.58 1.54 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.32 4.39 0.00 1.80 1.85 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 73 L 8.00 4.58 0.00 1.59 1.60 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.04 4.10 0.00 1.80 1.86 0.00 3.25 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 75 G 8.36 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00