NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3359 8.0333 110.9353 61.1269 70.3431 174.5440 4 D 4.1353 8.5236 122.2505 56.7008 40.6744 177.3762 5 Q 3.8682 8.7965 120.9435 59.3863 29.5088 178.0612 6 Q 3.9797 7.9458 118.5664 58.8653 28.7060 178.8794 7 K 3.9695 8.1533 119.6454 59.2835 32.0592 179.6635 8 V 3.3347 7.9505 118.9488 65.8375 31.2944 178.3269 9 S 4.0574 7.9846 115.0259 61.3372 62.6349 176.2374 10 E 3.9073 8.2173 122.0530 59.3623 29.3771 178.9899 11 I 3.7479 7.6447 119.8093 64.4886 37.1569 178.4893 12 F 4.5594 8.6621 119.0365 60.7226 38.1896 177.8100 13 Q 4.0657 8.5194 117.9813 59.1914 28.5263 179.0210 14 S 4.2066 8.1694 116.1866 61.3160 62.7719 176.6761 15 S 4.0773 8.3508 116.0837 61.3883 62.2400 176.2133 16 K 3.9016 8.0406 121.1933 59.5750 31.8480 178.9118 17 E 3.9210 7.9089 118.6729 59.1313 29.5454 178.8011 18 K 3.9668 8.0831 119.7660 59.4204 32.2388 178.7792 19 L 3.9715 8.3539 119.7831 57.8751 41.2885 179.5642 20 Q 4.0777 7.8939 117.0989 58.8336 28.9859 178.7692 21 G 3.7020 8.0194 106.5950 47.9505 0.0000 175.5056 22 D 4.3547 8.3093 121.4822 57.0394 40.8005 178.8405 23 A 3.9753 8.0358 121.2272 55.1476 18.2371 179.3638 24 M 4.0800 7.9097 117.0043 58.4486 32.2264 178.6025 25 V 3.5013 7.5445 118.1615 65.9533 31.7188 177.9659 26 V 3.2230 7.5437 117.9155 65.7684 31.0415 177.8037 27 S 4.0106 8.0565 112.0897 61.6566 62.4387 175.5419 28 D 4.4821 8.4179 121.6375 57.2045 40.2649 178.8109 29 A 3.9818 7.7108 120.3688 55.2975 18.6094 179.5748 30 F 4.6945 8.3451 117.0911 60.2606 38.9823 176.9704 31 K 4.4072 7.6393 128.1067 56.7386 32.0268 181.3005 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 T 8.03 4.34 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 4 D 8.52 4.14 0.00 2.76 2.72 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 5 Q 8.80 3.87 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 6 Q 7.95 3.98 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 7 K 8.15 3.97 0.00 1.88 1.80 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.57 7.81 8 V 7.95 3.33 1.92 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 -0.01 0.00 0.00 0.79 0.00 0.00 9 S 7.98 4.06 0.00 4.00 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 10 E 8.22 3.91 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 11 I 7.64 3.75 1.92 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 1.53 0.50 1.03 0.00 0.00 12 F 8.66 4.56 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 4.07 0.00 2.22 2.18 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 2.62 2.57 0.00 14 S 8.17 4.21 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.08 0.00 4.05 4.03 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 0.00 0.00 0.00 16 K 8.04 3.90 0.00 2.01 1.85 0.00 1.71 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.61 7.81 17 E 7.91 3.92 0.00 2.06 2.09 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 2.30 2.31 0.00 18 K 8.08 3.97 0.00 1.89 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.47 7.81 19 L 8.35 3.97 0.00 1.81 1.68 0.88 0.71 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 20 Q 7.89 4.08 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 21 G 8.02 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 22 D 8.31 4.35 0.00 2.80 2.70 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 23 A 8.04 3.98 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 24 M 7.91 4.08 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 25 V 7.54 3.50 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 0.92 0.00 0.00 0.90 0.00 0.00 26 V 7.54 3.22 1.97 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 0.20 0.00 0.00 0.80 0.00 0.00 27 S 8.06 4.01 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.42 4.48 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.71 3.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.35 4.69 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 4.41 0.00 1.79 1.55 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.29 7.81