NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4514 8.1627 118.1943 54.6337 32.8969 175.9509 2 K 3.7189 8.5848 121.4934 58.8604 32.1347 173.9657 3 V 3.5612 7.9522 118.2974 65.9419 31.8059 177.2872 4 K 3.9211 7.9875 118.7475 59.5471 32.1329 178.4659 5 Q 3.9889 8.1480 118.2784 59.1762 28.5922 179.0824 6 L 4.0254 8.1736 119.7040 57.5721 41.6470 179.3580 7 A 3.9888 8.3638 121.2004 55.2885 18.2677 179.4357 8 D 4.3114 8.4104 117.6849 57.3437 40.8041 178.9184 9 K 3.9251 8.1065 120.2052 59.2983 32.0823 178.9739 10 V 3.5664 8.1022 118.8739 66.1773 31.4865 177.8382 11 E 3.9386 8.1777 118.2296 59.3235 29.1929 178.9662 12 E 3.9371 8.3706 119.3687 59.4406 29.6535 178.9976 13 L 4.0219 8.2093 119.1293 57.5926 41.6537 179.3084 14 L 3.9958 8.2639 119.4464 57.7995 41.4991 179.5856 15 S 4.0908 8.1258 112.8813 61.4308 62.3809 176.3165 16 K 4.0441 8.3097 121.3666 59.6718 31.7334 179.1611 17 N 4.3844 8.5984 117.1093 56.2830 38.4256 176.8217 18 Y 4.0390 8.1967 120.9885 61.1426 38.8992 178.0444 19 H 4.1247 8.4414 117.1263 58.7459 28.7419 177.7716 20 L 3.9618 8.3855 121.0512 57.7982 41.4657 179.4503 21 A 3.9321 8.1671 120.7752 55.2401 18.2119 179.4514 22 N 4.1779 7.9170 114.9851 56.3801 38.4285 177.5409 23 E 3.9257 8.0869 120.2140 59.0590 29.4277 179.2965 24 V 3.5253 8.0112 118.4010 66.0360 31.5645 177.9352 25 A 3.9380 8.0170 120.3020 55.1034 18.3339 179.5031 26 R 3.8046 8.1305 117.2984 59.6792 30.1683 178.8069 27 L 3.9853 8.2006 118.7019 57.5695 41.5451 179.1427 28 A 3.9941 8.2827 121.1172 55.3756 18.0824 179.9279 29 K 3.9297 7.8750 115.6608 59.2950 31.8592 179.0539 30 L 4.0784 7.8528 120.5404 58.1466 41.7864 179.2555 31 V 3.7126 7.8102 117.3330 65.7311 31.6198 177.5892 32 G 3.8056 8.0763 103.0237 44.5597 0.0000 173.8223 33 E 4.1873 7.2851 119.2747 56.1359 30.3529 177.2497 34 R 4.1913 8.3081 116.5498 56.4512 29.6855 175.0872 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 4.45 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 2 K 8.58 3.72 0.00 1.97 1.85 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.61 7.81 3 V 7.95 3.56 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 1.07 0.00 0.00 0.93 0.00 0.00 4 K 7.99 3.92 0.00 1.90 1.90 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.59 7.81 5 Q 8.15 3.99 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 6 L 8.17 4.03 0.00 1.69 1.71 0.92 0.78 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 7 A 8.36 3.99 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 8 D 8.41 4.31 0.00 2.85 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 9 K 8.11 3.93 0.00 1.97 1.98 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 10 V 8.10 3.57 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 1.07 0.00 0.00 1.00 0.00 0.00 11 E 8.18 3.94 0.00 2.17 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 2.49 2.46 0.00 12 E 8.37 3.94 0.00 2.11 2.14 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 2.32 2.37 0.00 13 L 8.21 4.02 0.00 1.73 1.71 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.26 4.00 0.00 1.82 1.72 0.91 0.89 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 15 S 8.13 4.09 0.00 3.93 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 16 K 8.31 4.04 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.69 7.81 17 N 8.60 4.38 0.00 2.81 2.89 0.00 0.00 6.67 7.47 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 18 Y 8.20 4.04 0.00 3.08 3.08 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 19 H 8.44 4.12 0.00 3.26 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.39 3.96 0.00 1.71 1.71 0.93 0.62 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 21 A 8.17 3.93 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 22 N 7.92 4.18 0.00 2.72 2.74 0.00 0.00 7.02 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.09 3.93 0.00 2.11 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 2.55 2.44 0.00 24 V 8.01 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 1.08 0.00 0.00 0.96 0.00 0.00 25 A 8.02 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 3.80 0.00 1.99 2.03 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 27 L 8.20 3.99 0.00 1.71 1.69 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.28 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.93 0.00 1.87 1.88 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.59 7.81 30 L 7.85 4.08 0.00 1.79 1.87 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.81 3.71 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 0.86 0.00 0.00 0.96 0.00 0.00 32 G 8.08 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.29 4.19 0.00 2.11 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 2.52 2.25 0.00 34 R 8.31 4.19 0.00 1.88 1.88 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00