NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8048 8.4431 115.5974 55.1355 41.7490 172.8653 2 G 3.6610 8.3559 109.0448 46.1775 0.0000 172.1107 3 S 4.3366 8.3606 121.7305 56.2257 66.2998 171.4654 4 K 3.5325 7.2611 120.7468 58.7919 32.0314 176.4172 5 R 3.6648 8.7872 128.6788 54.9851 28.1700 173.4606 6 A 4.4499 7.4612 117.9119 50.0793 22.5227 175.5192 7 W 5.4108 9.6599 133.0726 57.6877 31.2124 173.8740 8 C 4.3528 7.5272 119.6760 53.2629 43.9109 173.9271 9 K 3.6531 9.3477 121.7018 58.5358 32.5348 176.0509 10 E 4.5028 7.1830 115.5374 55.1459 33.1251 174.9997 11 K 3.9033 8.7279 119.4239 60.1003 32.1114 178.5835 12 K 4.2696 7.8693 115.6737 57.0040 32.5267 177.2257 13 D 4.3714 7.7467 118.2683 55.1673 41.4718 174.8058 14 C 4.8644 7.2825 116.3164 56.8663 39.2149 173.0240 15 C 4.5106 9.4568 120.8899 57.3625 41.3764 172.7298 16 C 4.5665 8.7932 117.8988 58.7007 35.2075 174.7248 17 G 3.6656 9.3280 110.4881 45.4009 0.0000 171.9983 18 Y 5.2477 7.8482 116.3795 56.0677 41.5680 174.7984 19 N 5.0073 9.6264 120.6897 51.6263 40.7571 172.3867 20 C 5.0464 8.5897 119.3227 54.9607 46.2734 172.6496 21 V 4.5778 8.2012 125.3570 61.0951 33.9769 173.6277 22 Y 4.6696 9.1138 129.1136 56.7063 39.4414 175.8409 23 A 3.3468 8.1169 131.3835 49.1282 17.3428 176.9806 24 W 3.5720 7.0667 119.8972 58.5828 28.6648 179.1816 25 Y 3.0613 5.3700 115.9006 58.8284 37.1087 176.4853 26 N 4.7730 7.1560 117.0456 52.2160 38.0857 175.4540 27 Q 2.8627 8.0088 118.1113 58.3223 28.8336 171.3988 28 Q 3.7891 8.5438 119.5449 56.1369 28.3171 172.4993 29 S 5.3007 8.7110 114.9701 56.9485 66.2104 172.9788 30 S 5.0885 8.7843 119.4246 56.6420 65.0650 173.2086 31 C 5.6404 9.3508 122.6358 56.7694 36.8457 172.4738 32 E 5.1867 9.1292 118.5892 54.7111 33.0681 176.4266 33 R 4.4724 8.4559 115.9879 54.6969 29.0811 174.6474 34 K 3.9660 7.8631 118.0546 56.6471 30.7084 174.0550 35 W 4.8851 8.0033 122.3525 57.9293 32.2707 178.2769 36 K 3.9992 8.2462 122.8612 59.8848 32.1879 177.7893 37 Y 4.3700 8.1406 113.4582 57.9596 37.6306 174.6116 38 L 5.0380 7.8514 121.2890 52.6800 45.2196 176.3008 39 F 4.1609 9.3199 123.2247 59.1255 40.5452 176.5405 40 T 3.2127 9.8633 112.5606 61.1162 70.6624 172.7083 41 G 3.9316 10.1415 104.8056 41.1850 0.0000 174.0814 42 E 3.4895 8.8850 129.5896 56.2332 29.2589 173.5318 43 C 4.4412 8.6580 116.4773 55.3273 43.1382 173.4628 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 C 8.44 4.80 0.00 3.07 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 2 G 8.36 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.36 4.34 0.00 3.55 3.33 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 0.00 0.00 0.00 0.00 4 K 7.26 3.53 0.00 1.76 1.70 0.00 2.06 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.59 7.81 5 R 8.79 3.66 0.00 1.96 1.90 0.00 3.38 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 6 A 7.46 4.45 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 7 W 9.66 5.41 0.00 3.45 3.21 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 8 C 7.53 4.35 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.35 3.65 0.00 1.72 1.74 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.67 7.81 10 E 7.18 4.50 0.00 1.95 1.76 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 2.25 2.25 0.00 11 K 8.73 3.90 0.00 1.67 1.82 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.53 7.81 12 K 7.87 4.27 0.00 1.84 1.81 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.42 7.81 13 D 7.75 4.37 0.00 2.69 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 14 C 7.28 4.86 0.00 3.13 3.10 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 15 C 9.46 4.51 0.00 2.90 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 16 C 8.79 4.57 0.00 2.89 2.98 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 0.00 17 G 9.33 3.67 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 18 Y 7.85 5.25 0.00 3.11 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 19 N 9.63 5.01 0.00 2.75 3.01 0.00 0.00 6.45 7.72 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 20 C 8.59 5.05 0.00 3.02 2.97 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 21 V 8.20 4.58 2.34 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 1.02 0.00 0.00 1.05 0.00 0.00 22 Y 9.11 4.67 0.00 2.95 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 23 A 8.12 3.35 0.93 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 0.00 0.00 24 W 7.07 3.57 0.00 3.57 3.12 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 25 Y 5.37 3.06 0.00 2.59 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.16 4.77 0.00 2.70 2.85 0.00 0.00 7.03 6.83 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 27 Q 8.01 2.86 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.92 6.09 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 28 Q 8.54 3.79 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 5.97 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 29 S 8.71 5.30 0.00 3.57 3.83 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 0.00 0.00 0.00 30 S 8.78 5.09 0.00 3.91 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 31 C 9.35 5.64 0.00 3.09 3.10 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 32 E 9.13 5.19 0.00 2.06 2.03 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 2.48 2.27 0.00 33 R 8.46 4.47 0.00 1.56 2.07 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 34 K 7.86 3.97 0.00 1.89 2.25 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.15 1.22 7.81 35 W 8.00 4.89 0.00 3.45 2.92 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 36 K 8.25 4.00 0.00 1.73 1.64 0.00 1.68 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.11 1.35 7.81 37 Y 8.14 4.37 0.00 3.02 3.05 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 0.00 0.00 0.00 0.00 38 L 7.85 5.04 0.00 1.70 1.63 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 39 F 9.32 4.16 0.00 2.97 3.06 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 0.00 0.00 0.00 0.00 40 T 9.86 3.21 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 1.25 0.00 0.00 41 G 10.14 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 0.00 0.00 0.00 42 E 8.89 3.49 0.00 2.19 2.03 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 2.18 2.27 0.00 43 C 8.66 4.44 0.00 3.13 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00