NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4491 8.3349 115.4125 57.5997 64.4080 172.9796 23 S 4.0804 8.3290 116.5505 57.9472 63.3234 173.8316 24 D 4.5486 9.2629 124.6982 53.6125 43.5282 175.5370 25 P 4.2613 0.0000 0.0000 66.1615 31.3852 179.0947 26 L 4.0539 7.8767 116.9909 57.5119 41.5578 179.6724 27 V 3.5607 7.6615 117.9577 65.8706 31.6425 177.9898 28 V 3.5391 7.8264 117.7837 66.0344 31.1391 177.7268 29 A 3.9842 8.1612 119.2767 55.2801 18.2900 179.2057 30 A 4.0863 7.8691 118.1150 55.3015 18.7016 179.7930 31 S 4.2918 8.0751 113.8082 61.5529 62.7872 177.5034 32 I 3.7922 7.8101 120.5103 61.6496 36.6776 178.3044 *34 G 3.8994 8.0600 110.7703 45.7960 0.0000 176.0499 35 I 3.7014 7.8003 121.3164 63.8745 36.9323 178.2320 36 L 3.9540 8.3072 121.5832 58.4105 41.8371 178.4259 37 H 4.1747 8.2597 117.6294 59.2176 29.8374 176.6629 38 L 3.9012 7.9442 121.9930 58.3955 41.9618 179.0862 39 I 3.8205 7.8334 119.6867 64.3896 36.9440 178.4888 40 L 4.0494 8.4246 120.3562 57.3107 41.2683 179.3070 41 W 4.0071 8.5264 128.7135 60.4363 30.7830 178.0847 42 I 3.6840 8.0958 119.6205 64.5474 36.4172 178.4387 43 L 3.9803 7.7709 118.2177 57.8180 41.4713 178.8106 44 D 4.4399 7.9507 118.1259 57.7380 40.8591 179.0761 45 R 3.8639 7.0866 116.9568 58.5220 30.0790 177.2616 46 L 4.2281 7.4757 122.3337 54.9792 41.7513 176.7086 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 22 S 8.33 4.45 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.33 4.08 0.00 3.96 3.84 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 24 D 9.26 4.55 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.15 2.12 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 26 L 7.88 4.05 0.00 1.68 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.66 3.56 2.22 0.00 0.00 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 0.93 0.00 0.00 28 V 7.83 3.54 2.20 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 0.95 0.00 0.00 0.95 0.00 0.00 29 A 8.16 3.98 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 30 A 7.87 4.09 1.31 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 0.00 0.00 31 S 8.08 4.29 0.00 4.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.79 2.00 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 1.46 0.81 0.92 0.00 0.00 *34 G 8.06 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 35 I 7.80 3.70 2.01 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 1.41 0.68 0.92 0.00 0.00 36 L 8.31 3.95 0.00 1.75 1.69 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.26 4.17 0.00 3.29 3.51 0.00 5.93 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.94 3.90 0.00 1.79 1.81 0.91 1.18 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 39 I 7.83 3.82 2.02 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 1.55 0.70 0.94 0.00 0.00 40 L 8.42 4.05 0.00 1.73 1.76 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.53 4.01 0.00 3.32 3.32 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 42 I 8.10 3.68 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.38 0.95 0.00 0.00 43 L 7.77 3.98 0.00 1.61 1.71 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.95 4.44 0.00 2.65 2.55 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 45 R 7.09 3.86 0.00 1.51 1.71 0.00 2.21 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.00 46 L 7.48 4.23 0.00 1.79 1.54 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.