NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6518 8.2076 120.5346 54.5516 43.4960 177.3928 2 Y 4.0022 8.1595 117.8524 59.7463 37.6153 176.9837 3 L 3.7849 7.6558 121.5558 57.3498 42.2467 180.5769 4 R 3.8901 7.7602 117.4480 58.8272 29.9042 178.9012 5 E 3.9507 8.2734 118.8815 59.3746 29.4851 178.9163 6 L 3.9842 7.7331 118.7407 58.0381 41.6525 179.5277 7 L 3.9471 8.1819 120.1620 57.8472 41.9040 178.7418 8 K 3.8768 8.1802 119.6467 59.7453 32.1475 178.7957 9 L 4.0156 8.1727 119.1606 57.6182 41.3809 179.3784 10 E 4.0186 8.3650 118.7769 59.4383 29.5488 179.3691 11 L 3.9755 8.2167 119.2648 57.7380 41.5563 179.1691 12 Q 3.9473 8.3964 119.5762 59.3113 28.9216 178.4775 13 A 3.9590 8.0639 121.5293 55.2912 18.3690 179.5029 14 I 3.8284 8.1368 118.5842 64.5051 37.1533 178.5408 15 K 3.9388 7.9664 119.8683 59.6996 32.0780 178.9909 16 Q 3.9598 7.8193 118.4335 58.9989 28.6098 178.1844 17 Y 4.1920 8.2944 118.2586 61.2105 37.6915 178.8564 18 R 4.0181 8.1710 118.0894 59.1116 30.4443 178.6542 19 E 4.2325 8.2286 118.1564 59.4498 29.4491 178.8154 20 A 4.0452 7.9860 120.5730 55.6349 18.2761 179.5752 21 L 4.8328 8.1205 116.2059 56.2600 41.7305 178.7635 22 E 4.1964 8.1062 117.2348 58.2128 29.9464 177.2226 23 Y 4.0918 8.1053 120.1163 57.5557 40.2734 175.8155 24 V 4.5002 7.1705 117.4862 59.7177 34.4255 174.8429 25 K 4.3461 8.5182 122.4233 54.9975 31.1590 174.6512 26 L 4.6703 7.9098 122.8778 51.9887 43.4204 175.9564 27 P 4.2937 0.0000 0.0000 65.3973 31.1728 178.8189 28 V 3.5975 7.8492 117.6374 65.0900 30.9861 178.3854 29 L 3.9070 7.9157 118.8282 57.2820 41.4600 179.1896 30 A 3.9428 7.9763 120.3335 55.0272 18.2932 179.4566 31 K 3.8572 8.1977 118.1936 59.4396 32.2903 179.2058 32 I 3.4758 7.7164 120.2625 64.0975 36.9722 177.8466 33 L 3.6906 7.7169 121.5136 58.2546 41.7980 178.6940 34 E 3.9865 8.0142 118.9044 59.3555 29.4524 178.4437 35 D 4.1100 7.9211 118.8067 57.5079 40.8343 178.8025 36 E 3.7772 8.0668 118.8461 59.1452 29.3799 179.2382 37 E 3.8796 8.1116 118.9137 59.0191 29.4307 179.2087 38 K 3.4958 7.7739 119.6791 59.5777 32.1104 178.3004 39 H 4.2283 7.9935 116.7388 59.1501 28.6590 177.6077 40 I 3.7040 7.8493 121.2603 64.5586 36.9923 178.2232 41 E 3.9971 7.9959 119.2246 59.3765 29.2708 179.6203 42 W 4.5039 8.2846 118.9002 59.8071 29.1198 178.6748 43 L 4.0680 8.4072 119.1865 57.8809 40.8589 179.3245 44 E 4.0200 8.5045 117.9366 59.7859 29.6500 179.2981 45 T 4.0686 8.0423 115.8029 66.7150 68.2936 176.8786 46 I 3.8512 7.5697 120.7834 63.8051 37.2118 177.5860 47 L 4.2458 7.7666 117.6519 54.6414 41.7583 177.1223 48 G 4.0929 7.8553 113.6771 45.8250 0.0000 173.4864 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 4.65 0.00 2.83 2.82 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 2 Y 8.16 4.00 0.00 3.33 3.20 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 3 L 7.66 3.78 0.00 1.37 1.52 0.63 0.81 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 7.76 3.89 0.00 1.83 1.96 0.00 3.10 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 5 E 8.27 3.95 0.00 2.26 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 2.35 2.60 0.00 6 L 7.73 3.98 0.00 1.91 1.76 1.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.18 3.95 0.00 1.83 1.81 0.93 1.09 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 8 K 8.18 3.88 0.00 2.01 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 9 L 8.17 4.02 0.00 1.92 1.73 0.95 0.84 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 10 E 8.36 4.02 0.00 2.14 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 0.00 2.58 2.56 0.00 11 L 8.22 3.98 0.00 1.82 1.72 0.93 0.87 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 12 Q 8.40 3.95 0.00 2.10 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 13 A 8.06 3.96 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.83 2.13 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 1.43 0.73 0.94 0.00 0.00 15 K 7.97 3.94 0.00 1.99 1.90 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 16 Q 7.82 3.96 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 17 Y 8.29 4.19 0.00 3.05 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.02 0.00 2.01 2.02 0.00 3.19 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 19 E 8.23 4.23 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 20 A 7.99 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.83 0.00 1.69 1.77 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.11 4.20 0.00 2.15 2.11 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 2.74 2.40 0.00 23 Y 8.11 4.09 0.00 2.99 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.17 4.50 2.18 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 0.86 0.00 0.00 0.97 0.00 0.00 25 K 8.52 4.35 0.00 1.75 1.83 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.51 7.81 26 L 7.91 4.67 0.00 1.71 1.59 0.95 1.08 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 27 P 0.00 4.29 0.00 2.14 2.09 0.00 3.61 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 28 V 7.85 3.60 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 0.84 0.00 0.00 0.92 0.00 0.00 29 L 7.92 3.91 0.00 1.88 1.89 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.98 3.94 1.29 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 0.00 0.00 0.00 31 K 8.20 3.86 0.00 1.83 1.89 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.45 7.81 32 I 7.72 3.48 1.38 0.00 0.00 0.84 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 0.58 0.21 0.00 0.00 33 L 7.72 3.69 0.00 1.75 1.75 0.91 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 34 E 8.01 3.99 0.00 2.14 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 2.19 2.27 0.00 35 D 7.92 4.11 0.00 2.79 2.45 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 0.00 36 E 8.07 3.78 0.00 1.93 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 2.38 2.52 0.00 37 E 8.11 3.88 0.00 2.05 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 2.28 2.44 0.00 38 K 7.77 3.50 0.00 1.44 1.54 0.00 0.99 0.00 0.00 1.26 0.00 0.00 2.51 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.30 0.43 7.81 39 H 7.99 4.23 0.00 3.37 3.45 0.00 5.70 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 7.85 3.70 2.00 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 1.54 0.76 0.91 0.00 0.00 41 E 8.00 4.00 0.00 2.01 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 2.29 2.44 0.00 42 W 8.28 4.50 0.00 3.56 3.10 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 0.00 0.00 0.00 0.00 43 L 8.41 4.07 0.00 1.88 1.73 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.50 4.02 0.00 2.11 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 2.35 2.49 0.00 45 T 8.04 4.07 4.52 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 0.00 0.00 1.25 0.00 0.00 46 I 7.57 3.85 1.95 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 1.51 0.65 0.90 0.00 0.00 47 L 7.77 4.25 0.00 1.83 1.68 0.88 0.61 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 48 G 7.86 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 0.00 0.00 0.00