NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2000 8.3444 121.7075 55.9586 29.2441 173.7373 2 V 3.9792 8.0114 125.5484 60.3060 33.0521 173.7883 3 Q 4.2866 9.5358 129.3272 58.0218 30.7942 175.9218 4 L 5.1257 7.7607 116.6536 52.6868 45.4778 176.2199 5 L 4.5900 8.6598 125.6926 53.1048 43.6921 175.4542 6 E 4.8113 8.6739 125.5953 56.0596 30.5048 176.9976 7 S 4.5210 8.4062 117.2263 57.3482 64.7135 173.8220 8 G 3.8797 8.4500 110.0157 44.0777 0.0000 171.4526 9 P 4.4096 0.0000 0.0000 62.4666 31.8641 175.6247 10 E 4.6504 8.6166 120.7853 54.3051 32.0936 174.8729 11 L 4.7020 8.3851 124.5929 53.1580 43.8862 175.5857 12 K 4.7673 8.1882 123.7122 54.8933 36.4148 175.9219 13 K 4.4112 9.2199 121.6460 54.3828 33.3901 174.8263 14 P 4.3519 0.0000 0.0000 64.6624 31.6149 176.5022 15 G 4.0350 8.8730 110.3624 45.6714 0.0000 173.4062 16 E 4.2775 7.6068 118.2711 56.3506 30.2908 175.7376 17 T 4.7147 8.0287 115.0741 61.9675 71.9224 173.8801 18 V 4.3996 7.9605 121.7533 61.1084 34.6615 175.5748 19 K 4.2895 8.1547 125.0389 54.6289 32.9466 175.4739 20 I 4.1270 7.8940 126.2516 60.6070 38.4280 175.7250 21 S 5.0824 8.8795 118.0492 56.8309 66.4667 172.1748 22 C 5.3287 8.8607 120.5455 55.0865 46.7368 172.6365 23 K 4.6384 8.7189 127.5389 54.5330 33.7386 174.8686 24 A 4.8412 8.6296 130.0992 51.3601 19.6596 177.4225 25 S 3.8758 9.5483 117.9077 60.6856 62.3841 178.2972 26 G 3.7425 9.0472 118.3079 47.0471 0.0000 174.6646 27 Y 4.7331 8.0193 123.2091 57.9603 38.6494 177.9519 28 T 3.7744 9.3453 109.2729 64.6246 69.6969 173.8608 29 F 4.2836 9.5624 124.1563 61.5775 39.2198 175.9420 30 T 4.6855 7.8771 105.8417 61.2019 68.9210 174.5830 31 N 4.5425 7.8928 118.7382 53.8651 39.0117 174.0908 32 Y 4.7688 7.4246 114.6831 56.2890 42.2614 174.1634 33 G 4.2067 8.5696 110.0771 44.4973 0.0000 173.1908 34 M 4.3963 8.7009 123.1372 54.2157 33.1466 175.1574 35 N 5.5494 8.6507 121.0564 51.3627 41.8840 174.3557 36 W 4.9294 8.8641 121.1607 54.8742 32.1233 174.9863 37 V 4.9335 8.6574 123.9706 59.7369 33.7630 174.6755 38 K 4.5478 9.1164 125.7070 54.9799 34.3433 174.8381 39 Q 4.9302 8.6056 127.3315 53.8562 30.6879 174.4930 40 A 4.1040 8.4925 129.3743 50.6233 19.2430 174.5102 41 P 4.3069 0.0000 0.0000 64.0268 31.0338 176.4370 42 G 3.9337 8.7912 113.6055 46.4522 0.0000 172.1822 43 K 4.6543 8.1565 116.3441 53.7562 36.4018 176.6803 44 G 3.8864 8.3778 109.5461 45.2711 0.0000 172.8733 45 L 4.6124 8.1747 119.3150 54.0562 42.7993 177.0179 46 K 4.6799 9.2053 122.6471 54.0285 35.6122 175.4957 47 W 4.5450 9.1623 135.0000 58.1209 30.6164 175.4958 48 M 4.0203 10.0517 127.1339 56.0419 32.9562 177.0000 49 G 2.4582 5.3800 104.2698 44.0299 0.0000 171.2495 50 W 5.6367 7.8101 115.5760 55.5208 31.1050 173.6805 51 I 4.1468 9.0870 121.7407 58.9561 40.7312 173.8941 52 N 4.7453 8.0116 127.5618 53.1710 40.2086 175.0088 *1052 T 4.4124 8.3791 114.9509 62.0041 69.1010 173.6022 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 8.34 4.20 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 2 V 8.01 3.98 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 0.86 0.00 0.00 0.92 0.00 0.00 3 Q 9.54 4.29 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 4 L 7.76 5.13 0.00 1.46 1.47 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.66 4.59 0.00 1.69 1.53 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.67 4.81 0.00 1.93 1.93 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 2.32 2.27 0.00 7 S 8.41 4.52 0.00 3.93 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 8 G 8.45 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 9 P 0.00 4.41 0.00 2.19 2.08 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 10 E 8.62 4.65 0.00 1.93 1.86 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 2.19 2.18 0.00 11 L 8.39 4.70 0.00 1.57 1.53 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.19 4.77 0.00 1.71 1.61 0.00 1.94 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.33 1.38 7.81 13 K 9.22 4.41 0.00 1.76 1.70 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.81 7.81 14 P 0.00 4.35 0.00 2.02 2.00 0.00 3.68 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 2.03 2.10 0.00 15 G 8.87 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.61 4.28 0.00 2.04 1.92 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 2.33 2.40 0.00 17 T 8.03 4.71 4.21 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 1.17 0.00 0.00 18 V 7.96 4.40 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 0.77 0.00 0.00 0.88 0.00 0.00 19 K 8.15 4.29 0.00 1.63 1.61 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.36 7.81 20 I 7.89 4.13 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.56 1.03 0.00 0.00 21 S 8.88 5.08 0.00 3.90 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 22 C 8.86 5.33 0.00 3.10 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 23 K 8.72 4.64 0.00 1.94 1.64 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.36 7.81 24 A 8.63 4.84 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.55 3.88 0.00 3.80 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 0.00 26 G 9.05 3.74 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 0.00 0.00 0.00 27 Y 8.02 4.73 0.00 3.10 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 9.35 3.77 4.55 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 1.40 0.00 0.00 29 F 9.56 4.28 0.00 3.14 3.28 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 30 T 7.88 4.69 4.23 0.00 0.00 0.00 0.00 0.00 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 N 7.89 4.54 0.00 2.73 2.44 0.00 0.00 6.67 7.51 0.00 0.00 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 7.42 4.77 0.00 2.90 2.78 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 33 G 8.57 4.21 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 0.00 34 M 8.70 4.40 0.00 1.86 2.04 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 35 N 8.65 5.55 0.00 2.71 3.06 0.00 0.00 6.96 7.68 0.00 0.00 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 8.86 4.93 0.00 3.16 3.03 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 0.00 0.00 0.00 37 V 8.66 4.93 2.26 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 0.83 0.00 0.00 1.02 0.00 0.00 38 K 9.12 4.55 0.00 1.87 1.73 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.39 7.81 39 Q 8.61 4.93 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.51 0.00 40 A 8.49 4.10 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 41 P 0.00 4.31 0.00 2.19 2.15 0.00 3.92 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 2.00 2.00 0.00 42 G 8.79 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 43 K 8.16 4.65 0.00 1.80 1.69 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.51 7.81 44 G 8.38 3.89 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 0.00 0.00 0.00 45 L 8.17 4.61 0.00 1.59 1.68 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.21 4.68 0.00 1.83 1.74 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.47 7.81 47 W 9.16 4.55 0.00 3.28 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 M 10.05 4.02 0.00 1.75 2.21 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 49 G 5.38 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.81 5.64 0.00 3.75 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 9.09 4.15 1.92 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 1.08 1.35 1.09 0.00 0.00 52 N 8.01 4.75 0.00 2.43 2.52 0.00 0.00 6.87 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 *1052 T 8.38 4.41 2.76 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 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.