NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5793 8.2076 120.2004 54.2581 43.4572 177.1428 2 Y 4.0936 8.3421 118.1222 59.8660 37.3280 177.1568 3 L 3.6992 6.8799 120.4754 57.5122 42.1600 180.5306 4 R 3.8298 7.7203 118.1315 59.2920 29.8654 177.9500 5 E 3.9582 7.8391 117.9651 59.1299 29.9815 178.4926 6 L 4.1433 8.2667 119.3704 57.9017 41.6268 179.3479 7 L 4.0198 8.2542 118.9118 57.9857 41.4133 179.8694 8 K 3.9860 8.1076 117.3746 59.2729 32.2008 179.1411 9 G 3.7892 8.0132 105.3572 47.4366 0.0000 175.8659 10 E 4.0829 8.1480 120.3618 59.0120 29.4969 178.9798 11 L 4.0210 7.5872 120.1089 57.8847 41.9042 178.3788 12 Q 4.1478 7.8522 117.8546 57.7400 29.2750 177.0664 13 G 3.8198 7.8554 105.9224 46.4691 0.0000 175.8567 14 I 3.8256 7.2689 121.3734 64.5278 36.9928 178.7288 15 K 4.1554 7.9382 116.9558 59.1427 32.1603 179.0414 16 Q 4.1195 7.9048 118.2762 58.9544 28.9168 177.7594 17 Y 4.3380 7.8362 117.7451 61.0861 37.6637 178.5902 18 R 4.0288 7.6357 117.3575 58.8843 30.4915 177.7468 19 E 4.1357 8.1650 118.8643 58.8981 29.5857 178.1917 20 A 4.2657 8.0314 120.3868 54.3586 18.4946 179.1068 21 L 3.9716 7.8716 119.8231 57.3396 41.9041 178.6084 22 E 3.8675 7.9500 117.2780 58.5806 29.3206 177.6080 23 Y 4.6011 7.8960 114.8889 58.8505 40.0741 177.3173 24 T 4.2058 8.4880 110.6883 62.5402 69.4105 174.9821 25 H 3.8297 7.8214 116.8510 56.6919 27.0928 173.9787 26 N 5.0689 7.7474 114.5254 50.7634 40.8908 174.4708 27 P 4.3010 0.0000 0.0000 64.4089 32.1923 178.8320 28 V 3.6654 7.8026 120.1947 65.0728 31.0618 178.1417 29 L 3.9386 7.5311 119.2717 57.0552 41.2107 178.5777 30 A 4.3165 7.3976 115.9786 52.8247 18.3286 177.3959 31 K 4.2741 7.4128 117.0356 58.1269 34.5095 178.1775 32 I 3.5057 7.6465 120.3197 64.2702 36.8551 178.4011 33 L 3.8926 7.5088 120.6312 58.3222 39.8502 178.7671 34 E 3.8025 7.9788 120.2523 59.2222 29.3911 178.4413 35 D 3.9526 7.9952 118.7647 57.3842 40.6573 178.5699 36 E 3.9133 7.8949 118.7438 59.1734 29.1042 179.1934 37 E 4.0365 7.8330 118.9847 58.9773 29.9789 178.5733 38 K 3.6858 7.0575 118.8974 59.1384 32.0208 178.7746 39 H 4.2097 7.9432 116.7762 59.1322 28.5471 177.6525 40 I 3.7374 7.1816 121.4231 64.6931 37.0245 178.4842 41 E 4.0531 8.1093 118.7334 58.9882 29.1016 179.1253 42 W 4.5026 8.5711 118.8641 60.0315 28.1831 178.1626 43 L 4.1927 8.2950 118.8159 57.6787 40.9636 179.2386 44 E 4.1619 8.0208 119.3697 59.5036 29.4736 178.5323 45 T 3.8851 8.2851 115.0401 67.0934 68.3153 176.0435 46 I 3.8725 7.3929 121.8667 64.1006 36.8912 178.2418 47 L 3.9075 8.1074 119.8416 58.0186 40.2664 177.3454 48 G 3.7548 7.4461 113.1213 46.3672 0.0000 173.0562 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 D 8.21 4.58 0.00 2.80 2.79 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 2 Y 8.34 4.09 0.00 3.30 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 3 L 6.88 3.70 0.00 1.35 1.53 0.70 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.72 3.83 0.00 1.82 2.00 0.00 3.16 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 5 E 7.84 3.96 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 6 L 8.27 4.14 0.00 2.08 1.73 1.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.25 4.02 0.00 1.83 1.72 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.11 3.99 0.00 1.73 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.65 7.81 9 G 8.01 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 0.00 0.00 0.00 10 E 8.15 4.08 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 11 L 7.59 4.02 0.00 1.87 1.67 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.85 4.15 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 13 G 7.86 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 14 I 7.27 3.83 1.88 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 1.51 1.35 0.92 0.00 0.00 15 K 7.94 4.16 0.00 1.71 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 16 Q 7.90 4.12 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 17 Y 7.84 4.34 0.00 3.20 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 18 R 7.64 4.03 0.00 1.88 1.98 0.00 3.26 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 19 E 8.17 4.14 0.00 2.12 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 2.40 2.37 0.00 20 A 8.03 4.27 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.87 3.97 0.00 1.71 1.63 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.95 3.87 0.00 2.12 1.52 0.00 0.00 0.00 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 2.40 0.00 23 Y 7.90 4.60 0.00 2.96 2.99 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 24 T 8.49 4.21 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 25 H 7.82 3.83 0.00 3.26 3.38 0.00 5.62 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.75 5.07 0.00 2.75 2.70 0.00 0.00 7.05 8.06 0.00 0.00 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 P 0.00 4.30 0.00 2.20 2.29 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 28 V 7.80 3.67 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 1.07 0.00 0.00 0.90 0.00 0.00 29 L 7.53 3.94 0.00 1.60 1.72 0.98 0.73 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 30 A 7.40 4.32 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.41 4.27 0.00 1.84 1.75 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.53 7.81 32 I 7.65 3.51 1.26 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.13 0.00 0.00 33 L 7.51 3.89 0.00 1.87 1.67 0.89 1.05 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 34 E 7.98 3.80 0.00 2.03 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 2.28 2.32 0.00 35 D 8.00 3.95 0.00 2.66 2.33 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 36 E 7.89 3.91 0.00 1.96 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 2.45 2.65 0.00 37 E 7.83 4.04 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 38 K 7.06 3.69 0.00 0.79 0.74 0.00 1.45 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.18 7.81 39 H 7.94 4.21 0.00 3.26 3.44 0.00 5.64 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 40 I 7.18 3.74 1.86 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 1.54 1.08 0.92 0.00 0.00 41 E 8.11 4.05 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 42 W 8.57 4.50 0.00 3.37 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 43 L 8.30 4.19 0.00 1.88 1.76 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.02 4.16 0.00 2.22 1.96 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 2.31 2.35 0.00 45 T 8.29 3.89 4.36 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 1.24 0.00 0.00 46 I 7.39 3.87 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.12 0.92 0.00 0.00 47 L 8.11 3.91 0.00 1.75 1.79 0.91 0.63 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 48 G 7.45 3.75 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 0.00 0.00 0.00