NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7586 8.3549 109.7287 44.9295 0.0000 173.8257 2 Q 3.7961 8.3347 119.9264 53.6559 27.9712 174.9818 3 Q 3.6084 8.9344 122.6610 55.3535 30.3730 175.6351 4 Y 4.2288 7.2019 118.2968 58.7376 38.1544 176.0025 5 T 4.5024 8.6857 114.0293 61.8200 71.0852 174.0825 6 A 4.5077 7.8233 124.5807 51.6922 19.4962 176.8324 *8 I 3.8343 7.6262 113.0973 61.7497 38.5146 174.6030 9 K 4.3629 8.5986 125.9681 55.8416 33.3340 176.7154 10 G 4.0168 9.3622 114.8124 45.2672 0.0000 173.2354 11 R 4.3452 7.4105 115.8945 54.5835 31.6114 174.7258 12 T 4.7793 8.0884 112.5048 59.9506 71.0042 174.2420 13 F 4.6472 8.8543 120.3914 55.8148 41.6869 175.5952 14 R 4.2502 8.8202 125.2941 57.6786 30.5751 175.9873 15 N 4.9986 7.8823 115.5505 50.8534 39.0726 175.2729 16 E 3.9252 8.8553 123.1803 58.4338 29.5742 178.5154 17 K 3.8686 8.0700 119.7653 59.7244 32.2297 178.1089 18 E 3.9807 7.9838 119.3699 59.0683 29.4821 178.4868 19 L 3.1671 7.7167 120.1455 57.5919 41.8421 178.6450 20 R 3.7892 8.0485 118.5582 59.1782 30.2546 177.8885 21 D 4.4018 7.7541 117.7770 57.5365 41.4440 178.3443 22 F 3.8240 8.7922 118.4824 60.2550 38.4999 177.7843 23 I 3.2759 7.8302 120.2191 64.1657 36.6248 178.1855 24 E 3.9159 7.7139 118.4060 58.8446 29.2173 179.1748 25 K 3.9481 6.7057 119.2212 58.9237 33.5410 178.6114 26 F 4.7905 6.8763 117.5048 57.1533 36.6884 176.9450 *28 G 3.7935 7.4904 107.9234 43.8993 0.0000 172.0641 29 R 4.1401 7.5165 117.7155 57.0671 28.7853 175.4251 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 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 2 Q 8.33 3.80 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 3 Q 8.93 3.61 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 4 Y 7.20 4.23 0.00 3.13 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 5 T 8.69 4.50 4.27 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 1.26 0.00 0.00 6 A 7.82 4.51 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 *8 I 7.63 3.83 2.22 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.60 0.89 0.00 0.00 9 K 8.60 4.36 0.00 1.80 1.70 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.42 7.81 10 G 9.36 4.02 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 0.00 0.00 0.00 11 R 7.41 4.35 0.00 1.90 1.82 0.00 3.29 0.00 0.00 3.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 12 T 8.09 4.78 4.32 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 1.37 0.00 0.00 13 F 8.85 4.65 0.00 2.92 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.82 4.25 0.00 1.78 1.96 0.00 3.21 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 15 N 7.88 5.00 0.00 2.93 2.95 0.00 0.00 5.91 7.65 0.00 0.00 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 E 8.86 3.93 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 17 K 8.07 3.87 0.00 1.87 1.81 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.51 7.81 18 E 7.98 3.98 0.00 2.05 2.01 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 1.87 2.19 0.00 19 L 7.72 3.17 0.00 0.74 1.34 -0.22 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.05 3.79 0.00 1.82 2.06 0.00 3.29 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 21 D 7.75 4.40 0.00 2.86 2.96 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 22 F 8.79 3.82 0.00 3.06 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 23 I 7.83 3.28 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.78 0.85 0.00 0.00 24 E 7.71 3.92 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 25 K 6.71 3.95 0.00 1.33 1.45 0.00 1.45 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.33 7.81 26 F 6.88 4.79 0.00 3.09 2.90 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 *28 G 7.49 3.79 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 0.00 0.00 0.00 29 R 7.52 4.14 0.00 1.87 1.85 0.00 3.09 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.