NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0541 8.3549 109.7364 44.9172 0.0000 175.9103 2 P 4.4064 0.0000 0.0000 61.2803 30.4787 175.9107 *4 G 3.8812 9.2216 118.6562 45.5162 0.0000 173.3082 5 P 4.5264 0.0000 0.0000 61.9229 30.5821 179.0002 *7 G 3.8752 8.4492 119.0401 46.0019 0.0000 169.9929 8 P 4.3394 0.0000 0.0000 63.1287 29.8323 178.9730 *10 G 3.8951 8.8824 116.0394 45.7112 0.0000 170.3525 11 P 4.4149 0.0000 0.0000 61.7493 32.1841 176.2218 12 S 4.1637 8.6524 117.1308 58.2009 62.7389 173.9253 13 G 3.8058 8.2883 113.4933 44.5693 0.0000 171.1235 14 P 4.4928 0.0000 0.0000 61.5498 32.0918 176.4538 15 R 4.0484 8.2005 119.4355 56.2150 30.4556 176.1420 16 G 4.0939 8.1753 111.4804 44.7152 0.0000 174.7235 17 Q 4.5982 7.8927 126.9421 55.3119 27.1704 179.2154 *19 G 3.7530 8.4412 118.9801 46.3835 0.0000 171.0231 20 V 4.1299 7.9773 117.9853 61.1375 32.6733 175.7560 21 M 3.9976 8.6465 125.8940 55.6858 32.4252 176.3914 22 G 4.1141 8.4619 114.5835 45.1416 0.0000 175.6670 23 F 4.5380 8.4079 118.9439 57.2406 38.2497 179.0124 *25 G 3.7253 8.5860 116.6682 45.3036 0.0000 170.3194 26 P 4.3148 0.0000 0.0000 62.7225 31.4748 176.5338 27 K 4.3388 8.3908 120.6334 54.5193 32.4636 172.2121 28 G 4.3300 8.1089 105.6064 44.6905 0.0000 173.0100 29 P 4.5884 0.0000 0.0000 61.9796 30.8050 180.0350 *31 G 3.6789 8.6838 114.3029 45.6141 0.0000 172.1486 32 A 4.1459 8.5612 121.1774 52.4940 18.2972 177.7533 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 G 8.35 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.13 1.55 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 *4 G 9.22 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.53 0.00 2.05 1.36 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 *7 G 8.45 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.34 0.00 2.05 1.54 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 *10 G 8.88 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 0.00 0.00 0.00 11 P 0.00 4.41 0.00 2.05 1.99 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 12 S 8.65 4.16 0.00 3.82 3.78 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 0.00 0.00 0.00 13 G 8.29 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 2.05 2.02 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 15 R 8.20 4.05 0.00 1.77 1.83 0.00 3.23 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 16 G 8.18 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 17 Q 7.89 4.60 0.00 2.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 *19 G 8.44 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 20 V 7.98 4.13 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 0.84 0.00 0.00 0.95 0.00 0.00 21 M 8.65 4.00 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 22 G 8.46 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.41 4.54 0.00 2.89 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 0.00 0.00 0.00 0.00 *25 G 8.59 3.73 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 0.00 0.00 0.00 26 P 0.00 4.31 0.00 2.07 2.10 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 27 K 8.39 4.34 0.00 1.78 1.62 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.00 7.81 28 G 8.11 4.33 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 0.00 29 P 0.00 4.59 0.00 2.05 1.07 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 *31 G 8.68 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.56 4.15 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.