NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5278 8.3049 120.3726 55.9126 33.6534 173.2780 2 I 2.7976 7.1950 120.5951 59.6074 37.5072 169.3666 3 V 3.1320 8.5414 124.6621 61.8784 32.8760 173.7523 4 P 4.2010 0.0000 0.0000 62.0175 31.2893 176.5965 5 V 3.5277 8.2742 124.0835 63.7941 32.0400 172.3852 6 R 3.9015 8.6464 131.3314 55.5229 30.0853 175.7884 7 C 4.0409 8.4357 121.1663 58.9966 31.9005 172.9742 8 F 4.7229 7.6568 123.1405 58.5515 38.3845 177.0835 9 S 4.0967 8.3541 119.5553 62.8464 63.5114 175.7691 10 C 4.2656 7.9319 116.6456 57.9167 41.9049 174.8002 11 G 4.0756 8.2493 106.4727 43.9657 0.0000 173.7641 12 K 4.0452 7.9558 121.5410 55.7297 32.9198 176.2360 13 V 3.8833 8.0821 124.4625 64.1016 31.8251 176.4093 14 V 4.3260 7.9692 121.0823 64.0185 33.2648 174.3228 15 G 3.7628 8.1933 109.5701 47.9104 0.0000 175.4874 16 D 4.5179 8.3699 119.5430 56.6140 40.1636 179.1473 17 K 4.2530 9.2833 121.2331 58.3154 31.9675 177.3651 18 W 4.6297 9.1810 129.8846 59.9841 30.3746 177.0462 19 E 3.7211 8.4114 117.0132 60.1366 29.2753 179.2118 20 S 4.0222 8.2526 113.8601 62.2559 62.6351 175.9260 21 Y 3.9299 8.4347 122.0645 60.9185 39.0587 178.2022 22 L 3.5696 8.2861 121.4937 57.7037 41.9300 178.4554 23 N 4.3499 8.3283 117.6197 56.1734 38.7781 176.5118 24 L 4.1681 7.8961 117.3848 56.4194 41.5062 177.6654 25 L 4.2760 7.6864 118.4370 56.0751 42.7443 178.2121 26 Q 3.8632 7.6174 119.8724 59.3483 29.3209 177.9390 27 E 3.9608 7.8308 117.8978 58.2827 29.0955 178.8702 28 D 4.3395 8.9913 119.7650 57.5792 41.0020 178.9033 29 E 4.0337 8.6899 116.3354 58.8434 24.9952 175.3793 30 L 4.8331 7.7522 123.2421 52.6718 46.2858 175.5457 31 D 4.8895 8.1875 118.2668 52.3860 41.7360 176.3225 32 E 3.1397 8.9320 115.1301 57.1211 30.8067 181.0162 33 G 3.9495 8.4175 110.2714 47.9263 0.0000 175.7397 34 T 3.8473 8.0673 118.5493 66.2371 68.3221 176.6743 35 A 3.9026 7.7536 121.5546 55.9114 18.7418 178.9549 36 L 4.0146 8.4634 116.5112 58.0983 41.5847 179.7712 37 S 4.1108 8.4007 114.2340 62.0767 62.8096 177.3422 38 R 4.0401 7.8673 120.6140 59.3044 29.9675 178.3180 39 L 4.1922 8.3795 118.0384 55.9925 41.6615 177.6512 40 G 4.0384 7.5247 104.8592 45.7586 0.0000 174.2417 41 L 4.1261 7.7430 118.7280 55.3282 40.0401 176.8075 42 K 4.1366 8.4900 124.2162 58.3897 33.0780 177.0805 43 R 4.6478 7.7095 115.6340 54.5783 31.1200 176.4427 44 Y 4.2801 9.5144 119.3859 60.5146 37.4184 177.7072 45 C 3.7367 7.5538 114.0478 61.5260 29.6226 173.4704 46 C 4.6002 7.9991 114.0752 54.7421 36.4204 174.9871 47 R 4.2865 7.4881 120.5497 59.0420 30.0862 177.9980 48 R 3.9436 8.7600 116.7912 59.5486 28.9388 177.9492 49 M 3.7484 8.0684 118.3534 58.8349 31.9819 178.1793 50 I 3.6951 7.4981 118.9225 64.2471 37.3207 178.0432 51 L 4.0141 6.8748 116.3088 57.5631 41.8874 177.7496 52 T 4.4472 7.3702 112.7251 64.9023 70.6824 173.9793 53 H 3.7252 6.9897 117.9937 56.2111 30.1248 173.8666 54 V 4.0625 8.1855 126.4527 61.0062 32.6621 176.3004 55 D 4.6765 8.1044 131.6346 53.5781 39.5013 176.6461 56 L 3.7206 7.9617 123.4800 58.1701 42.0232 179.0453 57 I 4.0796 8.3021 117.7604 64.7495 37.5506 177.0898 58 E 3.9810 8.0073 118.2103 59.5304 29.7583 179.1708 59 K 4.1034 8.6707 118.5969 58.6751 31.9629 179.4988 60 F 4.8194 7.7596 117.3344 60.7350 39.3660 177.1343 61 L 4.2856 8.9075 119.0504 57.6095 41.1674 178.9801 62 R 4.0831 7.3136 113.7482 55.6677 29.9973 175.6205 63 Y 4.0961 8.2397 118.2438 59.3014 36.0373 175.1293 64 N 4.9653 9.2622 126.3705 53.3215 45.7800 171.0698 65 P 4.5023 0.0000 0.0000 62.8694 31.7204 176.2135 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 4.53 0.00 2.05 2.34 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 2.51 2.70 0.00 2 I 7.19 2.80 1.82 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 1.20 0.16 0.83 0.00 0.00 3 V 8.54 3.13 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 0.75 0.00 0.00 0.40 0.00 0.00 4 P 0.00 4.20 0.00 1.75 1.75 0.00 3.47 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 5 V 8.27 3.53 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 0.79 0.00 0.00 0.91 0.00 0.00 6 R 8.65 3.90 0.00 1.98 2.06 0.00 3.27 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 7 C 8.44 4.04 0.00 2.83 2.85 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 0.00 0.00 0.00 8 F 7.66 4.72 0.00 3.06 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.10 0.00 3.93 3.97 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 10 C 7.93 4.27 0.00 3.08 3.21 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 0.00 0.00 0.00 0.00 11 G 8.25 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.96 4.05 0.00 1.79 1.67 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.43 7.81 13 V 8.08 3.88 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 0.82 0.00 0.00 0.93 0.00 0.00 14 V 7.97 4.33 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 0.71 0.00 0.00 0.95 0.00 0.00 15 G 8.19 3.76 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 0.00 0.00 0.00 16 D 8.37 4.52 0.00 2.96 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 17 K 9.28 4.25 0.00 1.95 2.01 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.60 7.81 18 W 9.18 4.63 0.00 3.32 3.02 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 0.00 0.00 0.00 19 E 8.41 3.72 0.00 2.07 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 2.54 2.59 0.00 20 S 8.25 4.02 0.00 4.09 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 21 Y 8.43 3.93 0.00 2.88 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 22 L 8.29 3.57 0.00 0.68 1.27 0.60 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.33 4.35 0.00 2.98 2.69 0.00 0.00 7.10 6.69 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 24 L 7.90 4.17 0.00 1.57 1.54 0.89 0.80 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 25 L 7.69 4.28 0.00 1.64 1.40 0.62 0.22 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 26 Q 7.62 3.86 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 27 E 7.83 3.96 0.00 2.16 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 28 D 8.99 4.34 0.00 2.57 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 29 E 8.69 4.03 0.00 1.98 2.13 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 2.26 2.51 0.00 30 L 7.75 4.83 0.00 1.74 1.48 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.19 4.89 0.00 2.80 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 32 E 8.93 3.14 0.00 2.18 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 0.00 2.51 2.57 0.00 33 G 8.42 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 34 T 8.07 3.85 4.41 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 1.21 0.00 0.00 35 A 7.75 3.90 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.46 4.01 0.00 1.96 1.73 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.40 4.11 0.00 4.07 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 38 R 7.87 4.04 0.00 1.83 2.20 0.00 3.25 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 39 L 8.38 4.19 0.00 1.83 1.78 1.20 1.19 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 40 G 7.52 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 41 L 7.74 4.13 0.00 1.68 1.83 0.90 0.87 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 42 K 8.49 4.14 0.00 1.74 1.85 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.45 7.81 43 R 7.71 4.65 0.00 2.20 2.13 0.00 3.07 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 44 Y 9.51 4.28 0.00 3.20 3.11 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 45 C 7.55 3.74 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.00 4.60 0.00 3.20 3.15 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 47 R 7.49 4.29 0.00 2.15 2.10 0.00 3.37 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 48 R 8.76 3.94 0.00 2.10 2.27 0.00 2.87 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.08 0.00 49 M 8.07 3.75 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 50 I 7.50 3.70 1.64 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.60 0.23 0.00 0.00 51 L 6.87 4.01 0.00 1.69 1.72 1.00 1.00 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 52 T 7.37 4.45 4.30 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 1.24 0.00 0.00 53 H 6.99 3.73 0.00 2.86 3.01 0.00 5.74 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.19 4.06 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 0.83 0.00 0.00 1.02 0.00 0.00 55 D 8.10 4.68 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.96 3.72 0.00 1.83 0.92 0.99 0.55 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 I 8.30 4.08 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.51 1.04 0.00 0.00 58 E 8.01 3.98 0.00 2.20 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 2.68 2.61 0.00 59 K 8.67 4.10 0.00 1.51 1.69 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.43 7.81 60 F 7.76 4.82 0.00 3.24 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 61 L 8.91 4.29 0.00 1.86 1.79 1.00 1.10 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 62 R 7.31 4.08 0.00 1.79 1.78 0.00 3.18 0.00 0.00 3.10 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 63 Y 8.24 4.10 0.00 3.28 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 9.26 4.97 0.00 2.71 2.62 0.00 0.00 6.83 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 65 P 0.00 4.50 0.00 2.22 2.02 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00