NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3930 8.2027 119.6401 55.7751 31.2370 175.2068 2 V 3.9141 8.7118 121.4548 63.3187 33.1638 174.0766 3 Q 4.5838 10.2734 127.6353 54.3141 33.6126 173.4623 4 L 5.1800 8.6699 122.9700 53.0605 44.6502 176.0908 5 V 4.4542 9.1642 125.2737 60.9730 34.0433 174.6880 6 E 5.0546 8.6902 126.0221 55.7282 32.3984 174.5781 7 S 4.4705 9.2614 114.1411 58.3739 66.5400 175.9760 8 G 3.9545 9.3013 107.8989 45.1552 0.0000 173.7668 9 G 3.7693 7.5468 108.2120 44.7189 0.0000 173.3808 10 G 3.8847 7.8449 105.1931 44.0705 0.0000 172.1188 11 L 4.3551 7.8651 122.0636 54.5090 42.9159 176.9142 12 V 4.5111 7.7441 122.5021 60.1345 34.3595 174.1891 13 Q 4.1169 8.5074 121.4768 55.0137 29.3027 174.1125 14 P 4.4173 0.0000 0.0000 64.2625 31.6277 176.8569 15 G 3.9423 9.1678 111.8206 45.0940 0.0000 173.3820 16 G 3.9915 7.4479 108.2204 44.3691 0.0000 172.8463 17 S 4.7547 7.8685 113.8119 56.8012 66.0907 173.7121 18 L 4.1240 7.9407 120.0319 54.5270 44.4621 173.7061 19 R 4.3916 8.5886 126.6973 54.7290 31.4516 175.0868 20 L 4.9991 8.0064 124.7186 53.3988 44.0407 175.7377 21 S 5.0292 8.9473 114.6394 56.9842 67.0257 172.1923 22 C 5.3370 8.8933 120.3041 54.9894 42.6396 172.7697 23 A 4.6581 9.8835 130.2825 51.2065 19.8096 176.1261 24 T 5.8164 8.0466 112.0591 59.3722 72.2324 173.5489 25 S 4.3072 8.6721 112.6892 59.0112 65.3992 176.7404 26 G 4.4180 9.9944 110.7986 45.7097 0.0000 172.6814 27 F 4.5527 7.1083 112.0747 56.2677 39.7620 174.2700 28 T 4.0840 8.1547 118.0933 62.8241 66.7935 174.9702 29 F 3.8067 8.6193 130.1871 61.3990 39.5392 177.0865 30 T 4.0927 7.9350 107.9175 62.7985 69.0106 175.3223 31 D 4.5329 8.2651 121.7845 55.7444 41.3891 175.6611 32 Y 4.8911 7.5399 115.1861 56.2631 40.7395 174.9531 33 Y 4.5851 8.7354 118.6510 57.7305 39.6539 174.8914 34 M 4.7021 8.8978 122.8261 53.8393 34.4174 175.2052 35 S 5.4339 8.7373 119.4672 56.7077 65.9969 173.4987 36 W 4.8522 8.7400 122.0244 54.9558 32.1288 174.8902 37 V 4.9700 8.6819 123.8293 61.3230 34.0668 174.3641 38 R 4.7938 8.5161 123.8060 54.8118 32.8652 175.3292 39 Q 4.6587 8.3338 120.9722 54.3390 31.1200 172.5526 40 P 4.3492 0.0000 0.0000 61.4940 32.1060 174.1771 41 P 4.2559 0.0000 0.0000 64.8251 31.1941 176.9856 42 G 3.9244 9.0743 111.8129 45.2183 0.0000 172.1152 43 K 4.5460 7.7555 118.7012 54.1247 34.7580 175.4705 44 A 4.3651 8.1738 122.2118 51.8300 19.1313 177.2283 45 L 4.4142 8.1860 119.4338 54.9075 42.6033 177.0288 46 E 4.5928 9.0711 122.7827 53.8158 32.4108 174.4960 47 W 4.3112 9.1430 135.0000 58.3284 30.7019 175.1676 48 L 4.1745 8.7346 126.8151 54.1837 42.9197 177.1678 49 G 2.6683 5.3800 107.2302 44.5435 0.0000 169.9384 50 F 5.4206 7.3387 113.9952 55.6974 41.6859 173.2502 51 I 4.8282 8.8436 118.0811 59.1750 40.5522 175.1827 52 R 2.5240 8.5732 128.0674 55.7847 31.4905 175.7605 *521 N 4.6988 8.1995 116.5166 52.6362 38.4930 173.8748 522 K 3.9392 8.4590 118.1657 59.5367 32.4007 177.0056 523 A 4.1709 8.0573 124.7182 52.6756 18.1702 176.8502 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 Q 8.20 4.39 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 2 V 8.71 3.91 1.98 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 0.44 0.00 0.00 0.75 0.00 0.00 3 Q 10.27 4.58 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 4 L 8.67 5.18 0.00 1.43 1.52 0.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.16 4.45 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 1.01 0.00 0.00 0.94 0.00 0.00 6 E 8.69 5.05 0.00 2.37 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 2.30 2.42 0.00 7 S 9.26 4.47 0.00 3.87 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 8 G 9.30 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.55 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 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 0.00 0.00 0.00 11 L 7.87 4.36 0.00 1.59 1.56 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.74 4.51 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.91 0.00 0.00 13 Q 8.51 4.12 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.11 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 14 P 0.00 4.42 0.00 2.03 1.99 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 15 G 9.17 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.45 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.87 4.75 0.00 3.80 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.94 4.12 0.00 1.48 1.43 0.94 0.83 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 19 R 8.59 4.39 0.00 1.76 1.77 0.00 3.28 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 20 L 8.01 5.00 0.00 0.99 1.49 0.65 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.95 5.03 0.00 3.93 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 22 C 8.89 5.34 0.00 2.81 2.94 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 0.00 0.00 0.00 23 A 9.88 4.66 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.05 5.82 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 25 S 8.67 4.31 0.00 3.83 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.99 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.11 4.55 0.00 3.11 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 28 T 8.15 4.08 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 29 F 8.62 3.81 0.00 2.66 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 4.09 4.24 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 1.31 0.00 0.00 31 D 8.27 4.53 0.00 2.96 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.54 4.89 0.00 2.88 2.93 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 33 Y 8.74 4.59 0.00 2.50 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 8.90 4.70 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 35 S 8.74 5.43 0.00 3.86 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 36 W 8.74 4.85 0.00 3.15 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 37 V 8.68 4.97 2.18 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 0.99 0.00 0.00 1.07 0.00 0.00 38 R 8.52 4.79 0.00 1.92 2.03 0.00 2.80 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 39 Q 8.33 4.66 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.55 0.00 40 P 0.00 4.35 0.00 2.23 1.96 0.00 3.69 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 2.12 2.12 0.00 41 P 0.00 4.26 0.00 2.04 2.05 0.00 3.71 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 2.04 2.11 0.00 42 G 9.07 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 0.00 0.00 0.00 43 K 7.76 4.55 0.00 1.74 1.78 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.36 7.81 44 A 8.17 4.37 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 45 L 8.19 4.41 0.00 1.61 1.69 0.97 0.84 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 46 E 9.07 4.59 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 47 W 9.14 4.31 0.00 3.38 3.22 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 0.00 48 L 8.73 4.17 0.00 1.50 1.46 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 G 5.38 2.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.34 5.42 0.00 3.27 3.40 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 51 I 8.84 4.83 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.51 1.00 0.00 0.00 52 R 8.57 2.52 0.00 1.49 0.96 0.00 3.22 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.74 0.00 *521 N 8.20 4.70 0.00 3.03 3.00 0.00 0.00 6.35 7.13 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 0.00 522 K 8.46 3.94 0.00 1.73 1.86 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.38 7.81 523 A 8.06 4.17 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.