NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3181 8.2649 123.6128 52.4873 20.8507 178.2809 2 Q 4.2179 7.8086 115.1957 52.4154 27.2129 173.4425 3 H 4.6193 7.0265 113.4921 54.1317 32.5958 174.3483 4 D 4.6256 8.4719 115.9845 53.5774 36.1298 177.0851 5 E 4.2180 7.7538 120.4400 59.2724 29.8281 178.3567 6 A 3.7426 7.9018 120.9016 55.2418 18.3079 179.2892 7 Q 4.1342 7.8980 116.0424 58.7359 29.4842 179.0334 8 Q 4.8566 7.6484 117.9589 56.5555 30.1927 177.7809 9 N 4.4757 8.4002 120.7696 57.2459 37.4377 175.5064 10 A 3.9302 8.0273 122.5876 54.8673 18.5568 179.2492 11 F 4.1244 8.0652 115.6570 61.0102 38.9773 177.0529 12 Y 4.0639 8.4108 118.8990 60.8570 38.3625 178.2255 13 Q 3.9589 8.3687 118.0003 59.0376 28.9437 178.5813 14 V 3.6756 7.6233 117.7900 65.9058 31.5684 177.7003 15 L 4.0793 7.6591 117.4746 57.4371 42.9302 178.8058 16 N 4.6994 7.6443 116.4608 51.1819 35.1701 174.9121 17 M 4.6948 6.9695 120.1570 52.6597 35.8120 175.3917 18 P 4.3165 0.0000 0.0000 65.4018 31.8397 177.2183 19 N 4.5608 8.4023 114.9854 54.1391 39.0665 175.6086 20 L 4.2142 7.0926 119.1536 54.3914 42.3185 177.2574 21 N 4.7189 8.6068 120.8546 51.3879 40.1911 176.1507 22 A 3.9403 8.3831 121.4126 55.5348 18.2910 178.8962 23 D 4.3276 8.2084 115.5203 58.1433 41.1156 178.2152 24 Q 4.1178 8.6108 118.5438 58.9080 28.6415 178.8871 25 R 3.8464 8.3044 116.6353 59.6462 29.4545 178.7026 26 N 4.4721 8.5705 117.7903 55.6900 38.5068 177.5147 27 G 3.7565 8.3599 107.1880 48.0589 0.0000 175.6761 28 F 3.9957 8.7939 120.9276 60.0701 38.8261 177.7583 29 I 3.8398 8.1521 119.4991 64.7741 36.9044 178.5179 30 Q 4.0651 8.4785 118.9528 59.0837 28.4574 179.0991 31 S 4.0741 8.3106 116.3446 61.3082 62.5799 176.5098 32 L 3.8972 7.8546 122.1812 58.1052 41.9654 178.7235 33 K 4.2491 8.2680 117.3644 59.7007 32.1084 178.4344 34 D 4.6567 8.2746 117.1957 55.9327 42.4993 175.8029 35 D 4.7796 8.1348 119.7790 50.8381 41.1900 173.4447 36 P 4.4245 0.0000 0.0000 65.0917 31.8797 178.9927 37 S 4.2471 8.1722 111.2746 61.1321 63.1418 174.6613 38 Q 4.4555 7.8781 119.8687 56.0060 29.4517 178.3625 39 S 3.8957 7.6325 114.1133 61.5482 62.6528 174.6019 40 A 3.9414 7.8918 122.9062 55.0935 18.0645 178.7804 41 N 4.1962 8.0586 114.9622 56.9163 39.0845 176.9500 42 V 3.5932 7.9355 119.5693 65.9032 31.5648 177.6549 43 L 4.0333 8.2013 120.2521 58.1135 41.8685 179.1348 44 G 3.6374 8.2918 105.6914 48.1089 0.0000 175.5383 45 E 4.0593 8.5962 121.6080 58.7395 29.3397 179.4227 46 A 3.4022 8.5358 121.3664 55.0584 18.3797 179.4614 47 Q 3.8213 8.2195 118.2258 59.0242 28.9916 178.4026 48 K 3.8890 8.2694 120.8671 59.4369 32.0747 178.5365 49 L 3.9612 7.8110 120.9276 57.4200 42.0820 178.1843 50 N 4.3330 8.2749 117.2138 56.6707 38.9786 176.2298 51 D 4.3077 8.2727 119.9041 57.5057 41.1665 178.4044 52 S 4.1937 8.3608 114.8777 61.1847 62.5894 175.3946 53 Q 4.5379 7.3679 118.8323 54.3964 28.7871 175.4813 54 A 4.1173 7.3832 124.8268 51.3817 18.9610 176.2079 55 P 4.2611 0.0000 0.0000 65.1808 31.6743 176.6501 56 K 4.1643 8.0247 119.8031 56.9437 32.1366 175.1005 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 A 8.26 4.32 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.81 4.22 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 3 H 7.03 4.62 0.00 3.21 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.47 4.63 0.00 2.86 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.75 4.22 0.00 1.78 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 6 A 7.90 3.74 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 7 Q 7.90 4.13 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.53 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 8 Q 7.65 4.86 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.11 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 9 N 8.40 4.48 0.00 2.99 3.30 0.00 0.00 6.38 7.86 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 10 A 8.03 3.93 1.10 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 0.00 0.00 0.00 0.00 0.00 11 F 8.07 4.12 0.00 3.30 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.41 4.06 0.00 3.50 3.24 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 0.00 13 Q 8.37 3.96 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 14 V 7.62 3.68 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 0.79 0.00 0.00 0.98 0.00 0.00 15 L 7.66 4.08 0.00 1.63 1.57 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.64 4.70 0.00 2.46 2.63 0.00 0.00 6.08 7.22 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 17 M 6.97 4.69 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.43 0.00 18 P 0.00 4.32 0.00 2.15 2.15 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 19 N 8.40 4.56 0.00 2.87 2.99 0.00 0.00 7.21 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.09 4.21 0.00 1.50 1.48 0.72 0.85 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 21 N 8.61 4.72 0.00 3.02 2.94 0.00 0.00 6.63 6.33 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 22 A 8.38 3.94 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 23 D 8.21 4.33 0.00 2.81 2.88 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 24 Q 8.61 4.12 0.00 2.24 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 25 R 8.30 3.85 0.00 2.12 2.12 0.00 2.74 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.68 0.00 26 N 8.57 4.47 0.00 2.88 2.95 0.00 0.00 6.97 8.42 0.00 0.00 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 G 8.36 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.79 4.00 0.00 3.27 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 29 I 8.15 3.84 2.20 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 1.73 0.92 1.11 0.00 0.00 30 Q 8.48 4.07 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 31 S 8.31 4.07 0.00 3.89 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 32 L 7.85 3.90 0.00 1.76 1.79 0.15 0.38 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 33 K 8.27 4.25 0.00 1.99 1.93 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.88 7.81 34 D 8.27 4.66 0.00 2.72 2.89 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 35 D 8.13 4.78 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 36 P 0.00 4.42 0.00 2.25 2.17 0.00 3.68 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 37 S 8.17 4.25 0.00 3.97 4.01 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 38 Q 7.88 4.46 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 39 S 7.63 3.90 0.00 4.02 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.89 3.94 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 41 N 8.06 4.20 0.00 2.83 2.95 0.00 0.00 6.78 7.67 0.00 0.00 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 V 7.94 3.59 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.87 0.00 0.00 43 L 8.20 4.03 0.00 1.80 1.85 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.29 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 4.06 0.00 2.35 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 46 A 8.54 3.40 1.30 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 0.00 0.00 0.00 47 Q 8.22 3.82 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 48 K 8.27 3.89 0.00 1.99 1.98 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.50 7.81 49 L 7.81 3.96 0.00 1.64 1.59 0.91 0.88 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 50 N 8.27 4.33 0.00 2.81 2.90 0.00 0.00 6.80 9.25 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 51 D 8.27 4.31 0.00 2.87 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 52 S 8.36 4.19 0.00 4.06 4.10 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 0.00 0.00 0.00 53 Q 7.37 4.54 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.13 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 54 A 7.38 4.12 1.32 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 0.00 0.00 55 P 0.00 4.26 0.00 2.04 2.13 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 56 K 8.02 4.16 0.00 1.88 1.76 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.35 7.81