NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9828 8.2133 109.7392 45.1320 0.0000 174.8471 4 S 4.0220 8.6462 119.4770 59.6566 62.6655 175.7026 5 R 4.0308 8.1064 118.8231 59.1544 30.0233 178.4948 6 V 3.6208 7.8029 118.5384 66.2086 31.5514 178.0505 7 T 3.9629 8.0758 115.4273 66.3346 68.2333 176.6532 8 F 4.1151 8.2177 122.8894 61.1738 39.3789 176.6864 9 E 3.8481 8.6835 119.4109 59.4462 29.3230 179.0894 10 R 3.8490 7.8584 117.7500 59.3007 30.1388 179.2877 11 V 3.5155 7.6622 118.0723 65.5897 31.6048 177.6229 12 E 3.6601 8.1468 119.5236 59.3458 29.4011 178.7804 13 Q 3.9681 8.1719 118.2122 59.2452 28.7467 178.8820 14 M 4.0244 8.1817 119.9278 58.4292 32.0280 178.9285 15 S 4.1164 8.0119 114.3562 61.5674 62.9990 176.6874 16 I 3.7067 7.6330 122.8918 64.2855 36.7621 178.4320 17 Q 4.0766 8.1318 118.8332 58.6789 28.4964 178.7102 18 I 3.7276 7.9165 121.2910 63.9027 37.0647 178.1439 19 K 3.8882 8.1607 120.6101 59.5815 32.0220 178.6448 20 E 3.9183 8.1333 118.6965 59.3503 29.4528 179.2289 21 V 3.6902 8.0581 118.6490 66.2575 31.5287 178.1843 22 G 3.7000 8.1978 105.1184 48.0437 0.0000 175.2944 23 D 4.4070 8.2676 121.2097 57.2954 40.8275 179.1437 24 R 4.1025 8.2263 118.6060 59.0703 29.9159 179.3343 25 V 3.6412 7.8504 118.2486 65.9152 31.5638 177.7258 26 N 4.3148 8.1995 116.3594 56.6124 38.3645 176.7353 27 Y 4.2535 8.0897 120.7126 60.7550 38.8470 178.0350 28 I 3.4546 7.9042 120.8536 64.0744 37.1528 178.4828 29 K 3.9034 8.2751 119.5921 59.6684 31.9471 179.5468 30 R 4.0493 8.0534 118.1548 59.4226 29.9237 179.3837 31 S 4.0305 7.7594 114.9785 61.4862 62.6831 176.7313 32 L 3.9999 8.2711 122.1542 57.5901 41.4055 179.5567 33 Q 3.9521 8.1178 118.1921 59.1144 28.6950 178.8564 34 S 4.1282 8.0694 116.0688 61.6215 62.8720 176.6690 35 L 3.9156 7.8748 122.8505 58.2036 41.8690 178.4331 36 D 4.3426 8.3500 118.2129 57.5321 41.1885 178.5237 37 S 4.1231 7.9309 115.2972 61.4294 62.8313 176.5017 38 Q 4.1019 8.0734 120.8495 59.1260 28.4430 179.0418 39 I 3.8276 7.9304 120.9572 64.0453 37.0845 178.4141 40 G 3.7215 7.9608 106.6908 48.4310 0.0000 175.3214 41 H 4.2350 7.9343 118.6055 58.2894 28.6710 177.6875 42 L 3.9755 7.9838 122.1276 58.3407 42.0026 179.0016 43 Q 4.0013 8.7016 118.2615 59.0702 28.6125 178.6716 44 D 4.3550 8.2729 119.9161 57.3534 40.9116 178.6483 45 L 3.9934 8.0676 120.8611 58.0363 42.0815 178.8511 46 S 4.0946 8.3505 113.1512 61.2794 62.2931 176.0792 47 A 4.0065 7.9198 123.1050 54.9351 18.1059 179.3871 48 L 3.9117 7.9175 118.9168 58.5226 42.2307 179.4324 49 T 3.8351 7.9909 115.6829 66.5580 68.4913 176.8137 50 V 3.5542 7.7573 120.1534 66.0027 31.3057 177.3155 51 D 4.3211 7.9165 116.2918 57.8668 41.2301 178.0015 52 T 4.0173 7.8263 115.9739 66.8820 68.3378 176.6166 53 L 4.0236 7.9226 120.3465 57.4853 41.3249 179.6001 54 K 4.0195 7.8148 117.8316 58.5788 32.0222 177.6171 55 T 4.4954 7.4717 105.7530 60.9313 69.6660 173.7260 56 L 4.2213 7.5316 129.6420 55.3987 42.0326 175.7307 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 3 G 8.21 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.65 4.02 0.00 3.96 3.94 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 0.00 0.00 0.00 5 R 8.11 4.03 0.00 2.06 2.19 0.00 2.99 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 6 V 7.80 3.62 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 1.08 0.00 0.00 0.95 0.00 0.00 7 T 8.08 3.96 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 1.25 0.00 0.00 8 F 8.22 4.12 0.00 3.26 3.27 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 0.00 0.00 0.00 0.00 9 E 8.68 3.85 0.00 2.21 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 2.31 2.23 0.00 10 R 7.86 3.85 0.00 2.08 1.93 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 11 V 7.66 3.52 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 0.91 0.00 0.00 0.95 0.00 0.00 12 E 8.15 3.66 0.00 1.57 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 13 Q 8.17 3.97 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 14 M 8.18 4.02 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 15 S 8.01 4.12 0.00 4.03 4.07 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 0.00 0.00 0.00 0.00 16 I 7.63 3.71 1.98 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 1.49 0.63 0.89 0.00 0.00 17 Q 8.13 4.08 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 18 I 7.92 3.73 2.05 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 1.40 0.75 0.90 0.00 0.00 19 K 8.16 3.89 0.00 1.82 1.93 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.48 7.81 20 E 8.13 3.92 0.00 2.27 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 2.32 2.45 0.00 21 V 8.06 3.69 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 1.01 0.00 0.00 0.99 0.00 0.00 22 G 8.20 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.27 4.41 0.00 2.84 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 24 R 8.23 4.10 0.00 2.05 2.05 0.00 3.14 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 25 V 7.85 3.64 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 1.13 0.00 0.00 1.00 0.00 0.00 26 N 8.20 4.31 0.00 3.04 2.91 0.00 0.00 6.67 7.57 0.00 0.00 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 Y 8.09 4.25 0.00 3.03 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 28 I 7.90 3.45 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.54 0.86 0.00 0.00 29 K 8.28 3.90 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.68 7.81 30 R 8.05 4.05 0.00 2.00 1.99 0.00 3.17 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 31 S 7.76 4.03 0.00 3.80 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.00 0.00 1.74 1.68 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.12 3.95 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 34 S 8.07 4.13 0.00 3.98 3.91 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 0.00 0.00 0.00 35 L 7.87 3.92 0.00 1.74 1.80 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.35 4.34 0.00 2.86 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 37 S 7.93 4.12 0.00 4.06 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.07 4.10 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 39 I 7.93 3.83 2.00 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 1.45 0.77 0.90 0.00 0.00 40 G 7.96 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 41 H 7.93 4.23 0.00 3.40 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.98 3.98 0.00 1.79 1.87 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.70 4.00 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 44 D 8.27 4.36 0.00 2.89 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 45 L 8.07 3.99 0.00 1.78 1.80 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.35 4.09 0.00 3.93 3.99 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 47 A 7.92 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.92 3.91 0.00 1.88 1.87 0.92 0.86 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 49 T 7.99 3.84 4.37 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 1.21 0.00 0.00 50 V 7.76 3.55 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 0.99 0.00 0.00 0.98 0.00 0.00 51 D 7.92 4.32 0.00 2.77 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.83 4.02 4.38 0.00 0.00 0.00 0.00 0.00 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 53 L 7.92 4.02 0.00 1.87 1.72 0.92 0.77 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 54 K 7.81 4.02 0.00 1.94 1.88 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 55 T 7.47 4.50 4.24 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 1.21 0.00 0.00 56 L 7.53 4.22 0.00 1.69 1.60 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00