NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7039 8.4249 118.2166 52.4577 39.5412 174.3584 3 Q 4.3482 7.6740 117.5056 55.2784 29.3642 175.9174 4 G 3.7199 8.8267 111.2118 48.3108 0.0000 175.5009 5 K 4.2746 7.9377 117.7292 57.5377 32.2751 178.5232 6 I 3.5508 7.3824 120.0156 63.5044 37.5145 177.3160 7 W 5.2640 7.4122 120.0475 58.2477 28.9802 177.5334 8 T 4.2754 7.8677 108.9133 62.9238 68.6251 175.0427 9 V 4.2439 7.9898 120.3058 62.8243 34.0342 175.3937 10 V 4.4884 7.6054 118.6498 60.4096 33.4810 171.9263 11 P 4.5928 0.0000 0.0000 61.9940 29.7528 175.4272 12 P 3.4275 0.0000 0.0000 64.8432 31.3186 178.3091 13 A 4.1870 8.0074 120.8338 53.5435 19.1473 178.2326 14 F 4.9106 9.1824 112.4621 58.4805 39.3018 178.3421 15 G 3.1212 7.4392 105.5385 46.7263 0.0000 175.4874 16 L 3.9454 7.7355 122.8967 57.5976 42.2403 177.1576 17 P 4.2513 0.0000 0.0000 65.9830 30.9191 177.3475 18 L 3.8974 7.7433 119.7678 58.1163 41.9366 178.4098 19 M 3.9815 8.1303 118.1077 58.9172 32.1627 179.1658 20 L 4.1500 8.4162 119.1152 57.5689 41.6549 179.8557 21 G 3.5846 8.3175 105.6869 47.8399 0.0000 175.7089 22 A 4.0368 8.0882 123.3022 54.4620 18.2343 179.6672 23 V 3.4942 7.9278 116.8545 66.2878 31.6335 177.8332 24 A 3.9844 7.9755 120.1946 55.3872 18.1535 179.6418 25 I 3.6154 8.0868 118.2544 64.9994 37.1913 178.5113 26 T 3.8593 8.2136 116.5733 67.0547 68.3095 176.3832 27 A 4.0479 8.3666 122.5143 54.8773 18.3327 179.7957 28 L 3.9272 7.7363 117.2802 57.8600 41.7308 179.1763 29 L 3.9503 8.0387 119.0278 58.2774 41.6683 179.8100 30 V 3.7037 8.1228 117.7921 66.5730 31.3123 177.5520 31 H 4.1257 8.8049 115.7381 58.7696 28.3802 177.6034 32 A 3.9631 8.4271 122.4423 55.6980 18.6785 179.0302 33 A 3.9906 8.7356 119.7189 55.0241 18.0829 179.5858 34 V 3.5786 7.9594 115.0644 66.2630 31.3663 178.4805 35 L 4.0219 8.4527 119.6620 57.1407 41.9239 177.9538 36 T 4.5303 8.0766 107.1995 61.5969 69.1100 174.3109 37 H 4.8601 7.7980 116.3668 55.8535 30.6988 172.4556 38 T 4.6840 7.4280 108.7438 59.9866 71.5426 173.7145 39 T 4.2721 8.2676 110.5316 62.4071 70.0261 176.6933 40 W 4.5602 7.5638 119.9615 59.4464 28.5543 176.6487 41 Y 4.1505 6.1376 117.9589 61.3915 37.9115 177.6221 42 A 3.9881 7.8974 120.1549 55.1653 18.5633 179.1155 43 A 4.0240 8.4941 119.5921 55.4696 18.2244 179.2951 44 F 4.2787 8.2220 117.6251 61.8431 39.5831 177.1806 45 L 3.9319 7.6727 115.1772 56.3074 41.4255 177.2077 46 Q 4.1791 8.0384 123.4736 55.8869 28.8742 175.2915 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 2 N 8.42 4.70 0.00 2.83 3.00 0.00 0.00 5.92 6.50 0.00 0.00 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 Q 7.67 4.35 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 4 G 8.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.27 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.36 7.81 6 I 7.38 3.55 1.59 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.32 -0.27 0.00 0.00 7 W 7.41 5.26 0.00 3.34 3.18 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 8 T 7.87 4.28 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 1.28 0.00 0.00 9 V 7.99 4.24 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 0.93 0.00 0.00 10 V 7.61 4.49 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 1.30 0.00 0.00 1.01 0.00 0.00 11 P 0.00 4.59 0.00 2.55 2.16 0.00 4.03 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 12 P 0.00 3.43 0.00 1.64 1.05 0.00 3.80 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 13 A 8.01 4.19 1.33 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 0.00 0.00 14 F 9.18 4.91 0.00 3.27 3.31 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 15 G 7.44 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 3.95 0.00 1.55 1.50 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.25 0.00 2.38 2.30 0.00 3.51 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 18 L 7.74 3.90 0.00 1.85 1.71 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.13 3.98 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.64 0.00 20 L 8.42 4.15 0.00 1.65 1.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.32 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 4.04 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 23 V 7.93 3.49 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.98 0.00 0.00 24 A 7.98 3.98 1.39 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 0.00 0.00 0.00 0.00 0.00 25 I 8.09 3.62 2.03 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 1.55 0.44 0.92 0.00 0.00 26 T 8.21 3.86 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 1.22 0.00 0.00 27 A 8.37 4.05 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 28 L 7.74 3.93 0.00 1.85 1.73 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.04 3.95 0.00 1.88 1.75 0.93 0.68 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 30 V 8.12 3.70 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 1.03 0.00 0.00 0.99 0.00 0.00 31 H 8.80 4.13 0.00 3.51 3.51 0.00 5.90 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.43 3.96 1.39 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 0.00 0.00 0.00 0.00 0.00 33 A 8.74 3.99 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 34 V 7.96 3.58 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.91 0.00 0.00 35 L 8.45 4.02 0.00 1.46 1.77 -0.22 0.63 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 36 T 8.08 4.53 4.17 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 0.00 0.00 1.24 0.00 0.00 37 H 7.80 4.86 0.00 3.03 3.28 0.00 5.83 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.43 4.68 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 39 T 8.27 4.27 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 1.25 0.00 0.00 40 W 7.56 4.56 0.00 3.63 3.45 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 41 Y 6.14 4.15 0.00 1.87 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.90 3.99 1.24 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 0.00 0.00 0.00 43 A 8.49 4.02 1.55 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 0.00 0.00 44 F 8.22 4.28 0.00 3.36 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 45 L 7.67 3.93 0.00 1.71 1.65 0.75 0.96 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 46 Q 8.04 4.18 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00