NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5720 8.2185 120.5306 54.2093 43.0977 177.0059 2 A 3.9439 7.8410 120.4755 53.7380 18.4830 177.3293 3 D 3.8705 8.9989 118.5514 57.2564 41.1369 176.5930 4 S 4.4018 7.8188 114.7562 59.9674 62.7626 175.8553 5 S 4.2054 9.0874 118.1384 60.6412 62.2230 175.6464 6 I 3.8452 7.6722 115.3330 63.5600 37.4760 177.8922 7 E 4.0557 7.8797 120.5493 58.7493 29.2238 178.8042 8 K 4.0612 7.7535 119.9425 58.9415 32.1908 178.4797 9 Q 4.0484 7.9393 119.7158 58.7095 28.7322 178.0329 10 V 3.5983 7.6043 118.7017 65.5794 31.2961 177.6039 11 A 4.0323 7.9121 120.4937 54.5761 18.0866 179.3667 12 L 4.0136 8.0044 117.7224 57.3557 41.5394 179.0264 13 L 4.1040 7.6099 120.3472 57.5493 41.7281 178.8126 14 K 3.9073 7.7622 118.2329 58.7704 31.6413 178.8993 15 A 4.0972 7.7242 121.2291 54.6063 18.1602 179.4616 16 L 4.1097 7.7419 117.7197 57.7757 41.6395 178.8610 17 Y 4.0762 8.0740 116.5517 60.2330 37.8521 177.9269 18 G 3.6974 7.8423 106.3824 47.4809 0.0000 175.1274 19 H 4.5441 8.0939 118.3840 58.0920 28.6915 177.4607 20 G 3.6967 8.3772 107.8913 46.8937 0.0000 175.4609 21 Q 4.1520 8.0058 121.7938 58.9059 28.8251 177.9516 22 I 3.8669 7.6342 120.9894 63.8429 37.2462 177.7923 23 S 4.3146 8.0337 113.8970 60.6515 62.2112 175.0759 24 H 4.5670 7.9908 117.4753 57.2127 28.4219 177.2450 25 K 4.0819 7.6574 119.5666 58.6433 31.6829 178.7679 26 R 4.1770 7.6320 115.1426 58.6163 29.4778 178.1924 27 H 4.4005 8.4108 117.6298 58.1062 28.5263 177.4468 28 K 4.1523 7.8498 119.5830 59.9216 32.3952 179.2915 29 T 3.9431 7.6912 117.1295 66.0898 68.2282 176.0516 30 D 4.4572 7.8826 119.8502 56.6982 41.1250 177.9073 31 S 4.2617 7.9129 113.5723 60.8418 62.4252 175.5761 32 F 4.0852 8.1869 120.2199 59.5381 38.6894 177.4926 33 V 3.8732 7.7627 118.2722 65.3331 31.0616 177.8197 34 G 3.7104 7.7262 104.3600 46.9410 0.0000 175.0680 35 L 4.0843 7.6829 121.7776 57.6286 42.1314 176.1711 36 M 4.2116 7.7106 122.7057 55.7644 32.1741 175.4509 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 8.22 4.57 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 A 7.84 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.00 3.87 0.00 2.77 2.75 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 4 S 7.82 4.40 0.00 4.01 3.89 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 5 S 9.09 4.21 0.00 3.79 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.67 3.85 1.87 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 1.59 0.36 0.91 0.00 0.00 7 E 7.88 4.06 0.00 2.21 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 2.32 2.31 0.00 8 K 7.75 4.06 0.00 1.73 2.00 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.58 7.81 9 Q 7.94 4.05 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 10 V 7.60 3.60 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 0.94 0.00 0.00 11 A 7.91 4.03 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 12 L 8.00 4.01 0.00 1.87 1.74 0.93 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.61 4.10 0.00 1.73 1.88 1.01 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.76 3.91 0.00 1.96 1.77 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.27 7.81 15 A 7.72 4.10 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 16 L 7.74 4.11 0.00 1.97 1.81 0.99 0.90 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 17 Y 8.07 4.08 0.00 3.24 3.04 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 0.00 0.00 0.00 18 G 7.84 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 19 H 8.09 4.54 0.00 3.35 3.32 0.00 5.62 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 20 G 8.38 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 21 Q 8.01 4.15 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 22 I 7.63 3.87 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.02 0.92 0.00 0.00 23 S 8.03 4.31 0.00 3.89 4.06 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 0.00 0.00 0.00 24 H 7.99 4.57 0.00 3.45 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.66 4.08 0.00 2.10 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.62 7.81 26 R 7.63 4.18 0.00 2.09 2.15 0.00 2.71 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 27 H 8.41 4.40 0.00 3.49 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.85 4.15 0.00 2.18 2.14 0.00 1.19 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.62 7.81 29 T 7.69 3.94 4.46 0.00 0.00 0.00 0.00 0.00 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 30 D 7.88 4.46 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.91 4.26 0.00 3.98 4.04 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 0.00 0.00 0.00 32 F 8.19 4.09 0.00 3.32 3.09 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 33 V 7.76 3.87 2.30 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 0.99 0.00 0.00 1.02 0.00 0.00 34 G 7.73 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 0.00 0.00 0.00 35 L 7.68 4.08 0.00 1.76 1.74 0.87 0.71 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 36 M 7.71 4.21 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00