NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.0140 8.3449 121.6922 54.8832 31.1203 174.6487 4 F 4.9156 7.7022 116.1518 55.2108 42.1915 173.0734 5 Q 4.7673 8.5367 120.7130 53.5180 33.2697 174.7843 6 E 4.0200 8.6960 120.5579 56.3011 30.1721 176.0369 7 V 4.3101 8.1709 125.6295 61.0959 32.9945 175.7230 8 R 4.2238 8.3813 126.2211 55.3125 31.2513 174.9801 9 P 4.6551 0.0000 0.0000 62.4946 30.3229 175.5851 10 V 4.5168 7.0640 109.7069 59.5742 36.1972 175.9755 11 A 4.0285 8.5340 124.1995 52.6490 18.8895 177.4740 12 Q 4.5351 8.5177 120.5950 53.9677 29.6018 176.6057 13 A 4.0928 8.5277 126.9246 54.3838 18.6932 178.1698 14 L 3.8938 7.7878 116.4705 56.7595 42.3969 175.9820 15 Y 4.8605 7.4760 115.0595 55.1493 40.8882 173.5137 16 P 4.5943 0.0000 0.0000 62.8901 32.3752 175.6895 17 T 4.5719 8.0249 114.5200 62.0491 71.6817 173.3433 18 H 5.0907 8.3774 121.2333 53.3190 31.8397 172.6931 19 P 4.4824 0.0000 0.0000 64.8093 31.7723 177.1601 20 S 4.6875 7.5154 112.0689 56.2894 66.7579 175.2558 21 T 3.9816 8.4561 113.3779 64.5440 68.5539 176.6048 22 K 3.9112 8.0466 122.2005 59.6198 32.2224 178.2624 23 D 4.3380 8.2187 118.8448 57.4022 40.7332 178.7207 24 A 3.9552 8.1795 121.2271 55.0070 18.2623 179.7464 25 L 4.1149 8.2604 117.7643 57.9748 41.7095 179.4665 26 E 3.9511 8.3656 118.5522 59.6133 29.2877 179.3520 27 E 3.9563 8.4591 118.4996 59.3387 29.4875 179.3275 28 A 4.2021 8.3373 120.9584 55.2271 18.2537 179.6785 29 R 3.6979 8.1979 116.6160 59.1474 30.1153 178.3411 30 L 4.0919 7.9092 118.4931 57.6877 41.6478 179.0322 31 L 4.1780 7.5517 118.0283 55.8764 42.9701 177.3188 32 F 4.6812 7.8939 116.7727 54.9751 39.0316 172.7672 33 P 4.3872 0.0000 0.0000 64.0622 32.2563 178.0126 34 G 3.7048 7.9070 107.8557 45.8695 0.0000 173.8552 35 G 3.9626 8.4951 109.1746 44.9017 0.0000 173.9188 36 T 4.2815 7.9709 108.5783 61.2985 70.8196 174.9471 37 H 4.1805 8.7496 121.7101 59.7252 29.9993 176.6252 38 H 4.2684 8.2660 118.5347 59.5646 30.0381 176.5089 39 D 4.5165 8.3547 120.6155 57.1046 40.5042 178.7350 40 F 4.0906 8.1376 117.1377 59.3409 38.9371 176.3746 *42 R 4.0159 7.8737 117.8653 55.9854 31.7408 176.5941 43 A 3.9802 7.9266 120.4269 55.4502 18.4940 179.9784 44 L 4.1777 7.7012 113.8519 55.4001 41.4377 179.4771 *46 G 3.7834 8.1561 110.4294 45.8401 0.0000 175.3937 47 Y 3.6349 7.8590 120.2997 60.5059 38.6778 176.9639 48 H 4.0343 8.4815 119.4846 59.7174 29.8973 176.7240 49 N 4.3059 8.1300 117.2983 56.6247 38.4604 177.4258 50 T 3.7047 7.5710 116.6060 66.4543 68.2882 176.5674 51 L 3.7444 7.5417 121.2755 57.9452 42.1769 178.5939 52 V 3.6344 7.6306 117.4921 65.9808 31.3062 177.6017 53 K 4.0890 7.9318 119.2061 59.2985 31.7596 179.4845 54 V 3.9966 7.0638 113.3983 63.8971 31.2986 176.4517 *56 E 4.2699 8.2779 119.9713 55.9952 31.4101 176.3682 57 E 4.6520 7.5417 118.6313 56.6707 31.7966 181.0116 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 Q 8.34 4.01 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 1.97 1.16 0.00 4 F 7.70 4.92 0.00 3.15 2.86 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 0.00 0.00 0.00 0.00 5 Q 8.54 4.77 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 6 E 8.70 4.02 0.00 1.94 1.87 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 2.30 2.29 0.00 7 V 8.17 4.31 2.19 0.00 0.00 0.00 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 1.00 0.00 0.00 8 R 8.38 4.22 0.00 1.86 1.85 0.00 3.27 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 9 P 0.00 4.66 0.00 2.17 2.08 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 10 V 7.06 4.52 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 0.76 0.00 0.00 0.96 0.00 0.00 11 A 8.53 4.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 4.54 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 13 A 8.53 4.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 3.89 0.00 1.35 1.03 0.72 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.48 4.86 0.00 3.04 2.81 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 16 P 0.00 4.59 0.00 2.09 2.08 0.00 3.90 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 17 T 8.02 4.57 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 1.21 0.00 0.00 18 H 8.38 5.09 0.00 3.15 3.20 0.00 5.70 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 19 P 0.00 4.48 0.00 2.07 2.13 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 20 S 7.52 4.69 0.00 4.02 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 21 T 8.46 3.98 4.28 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 1.27 0.00 0.00 22 K 8.05 3.91 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.56 7.81 23 D 8.22 4.34 0.00 2.93 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 24 A 8.18 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 4.11 0.00 1.94 1.92 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.37 3.95 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 27 E 8.46 3.96 0.00 1.99 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 0.00 2.37 2.01 0.00 28 A 8.34 4.20 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 3.70 0.00 1.40 1.90 0.00 2.86 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 1.28 1.44 0.00 30 L 7.91 4.09 0.00 1.82 1.70 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.55 4.18 0.00 1.92 1.58 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.89 4.68 0.00 3.36 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.14 2.12 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 34 G 7.91 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 35 G 8.50 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.97 4.28 4.31 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 1.25 0.00 0.00 37 H 8.75 4.18 0.00 3.15 3.44 0.00 5.94 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.27 4.27 0.00 3.20 3.37 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.35 4.52 0.00 2.80 2.73 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 40 F 8.14 4.09 0.00 3.17 3.18 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 *42 R 7.87 4.02 0.00 1.80 2.05 0.00 3.25 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 43 A 7.93 3.98 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.70 4.18 0.00 1.31 1.47 0.73 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 *46 G 8.16 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 0.00 0.00 0.00 47 Y 7.86 3.63 0.00 2.92 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.48 4.03 0.00 3.30 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.13 4.31 0.00 2.73 2.81 0.00 0.00 7.02 7.05 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 50 T 7.57 3.70 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 51 L 7.54 3.74 0.00 1.21 1.52 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.63 3.63 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.77 0.00 0.00 53 K 7.93 4.09 0.00 1.94 1.72 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.41 7.81 54 V 7.06 4.00 2.14 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 0.86 0.00 0.00 0.86 0.00 0.00 *56 E 8.28 4.27 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 57 E 7.54 4.65 0.00 1.94 1.64 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 2.00 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.