NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.2788 8.3444 119.6899 55.9657 30.0202 174.8717 0 D 4.7516 8.5655 122.8828 50.5289 40.7715 171.8508 1 C 5.0396 8.0499 118.6431 53.7261 44.7828 172.0297 2 Y 4.9292 8.2222 116.6462 56.2273 40.6630 173.8841 3 H 4.7291 8.9146 117.0767 54.1745 29.2001 173.7214 4 G 3.9035 8.6145 117.1446 44.1441 0.0000 171.0338 5 D 5.2931 7.9723 119.9444 51.1971 41.4463 178.5408 6 G 3.9157 8.4373 107.8830 46.5633 0.0000 175.5641 7 Q 4.0840 8.2223 120.0567 58.0305 28.8912 178.0284 8 S 4.2721 8.0940 112.0364 60.8648 63.7390 174.3613 9 Y 4.2386 7.5952 122.2591 58.2482 38.9336 176.9409 10 R 4.1293 7.0010 120.7128 56.4392 33.2691 175.1755 11 G 3.9203 5.3800 107.3530 45.2591 0.0000 173.3669 12 T 3.7102 7.7922 107.4457 60.6417 69.2134 174.2944 13 S 4.6017 8.3260 117.3527 59.3140 63.3782 173.7197 14 S 5.2871 8.6238 123.8587 58.2246 63.8295 173.2221 15 T 5.1712 7.9742 109.1105 61.1030 72.4522 173.4641 16 T 4.5222 9.1150 121.4590 63.7292 69.4520 175.4390 17 T 3.8619 8.7049 120.0469 65.6041 67.4207 175.7763 18 T 4.3805 7.7275 110.8005 60.0935 68.6342 178.4358 19 G 3.9414 7.8722 108.5233 47.3243 0.0000 173.8776 20 K 4.5950 7.6782 117.9643 53.9561 34.5625 176.0917 21 K 4.2816 8.5326 124.5138 57.0361 33.4189 176.2824 22 C 4.7185 8.5588 124.6352 56.3427 40.9778 173.5727 23 Q 4.2348 9.4515 126.0470 55.7181 29.8528 176.1286 24 S 4.1802 8.4706 121.0452 58.1530 63.6190 175.3397 25 W 4.2966 8.2487 125.4627 59.7097 28.9073 177.4815 26 S 4.5815 8.0014 109.6820 58.6354 63.4223 174.2306 27 S 4.2803 7.7655 116.5716 58.6890 62.5783 173.3118 28 M 4.5985 8.4253 124.7133 54.2552 32.1751 175.3427 29 T 4.5200 7.4630 113.6947 59.5283 69.8847 172.3080 30 P 4.2650 0.0000 0.0000 64.8294 32.1520 175.9239 31 H 4.7577 9.4045 120.7149 54.4119 30.0532 174.8658 32 R 4.2352 8.3520 123.3470 55.9594 30.1729 171.6774 33 H 4.6431 7.7373 115.2516 55.1980 30.6723 173.3998 34 Q 4.5923 8.6734 116.1766 55.8855 29.5700 177.2430 35 K 4.3070 8.2704 119.6522 55.7158 30.7335 176.1357 37 T 4.8692 7.5843 110.6578 58.8540 71.8350 174.4418 38 P 4.2005 0.0000 0.0000 65.5297 31.6235 177.5778 39 E 4.1124 8.2341 118.7237 58.8299 29.7033 177.4438 40 N 4.4934 8.0782 114.7670 55.1736 39.4533 174.9636 41 Y 4.5984 8.6381 116.2885 55.1508 38.5657 173.8817 42 P 4.4303 0.0000 0.0000 64.6415 32.0226 177.9591 43 N 4.6282 7.9672 114.7720 54.2314 39.6327 176.0207 44 A 3.9246 7.5772 121.0418 53.3189 18.4695 177.6966 45 G 3.7260 8.0416 102.5079 46.7529 0.0000 174.7588 46 L 3.4708 7.5082 118.5466 53.2458 39.7146 176.4449 47 T 4.6307 7.1851 117.6950 62.5469 72.7841 176.3941 48 M 3.3701 7.7278 121.5804 56.4718 32.2006 178.3121 49 N 4.6117 7.8293 122.1074 53.5549 37.8728 174.3529 50 Y 4.8190 7.1577 115.1226 58.4928 38.9702 175.0962 51 C 4.7693 8.9403 120.5517 58.1293 41.3959 173.5524 52 R 4.4769 8.7981 121.0877 55.3445 34.6936 173.8811 53 N 5.4889 8.1099 115.4470 52.2690 38.1930 172.5824 54 P 4.2601 0.0000 0.0000 64.4637 32.1405 177.8301 55 D 4.5932 8.1841 115.9003 52.5945 39.6963 176.1147 56 A 3.6899 8.2079 120.5601 53.2943 15.9037 177.3253 57 D 4.6753 8.1560 119.0624 54.9098 42.2309 176.4074 58 K 3.9708 8.6058 118.7351 58.9311 32.8834 176.8610 *60 G 3.9888 7.7110 107.6796 43.8781 0.0000 170.2627 61 P 4.7989 0.0000 0.0000 63.0110 32.7960 175.3886 62 W 5.6743 8.6288 117.8541 56.8198 32.0526 170.0775 63 C 4.4221 9.1699 112.9352 54.0455 43.0709 173.6653 64 F 4.7726 7.9293 118.1384 58.1507 40.0914 174.3766 65 T 4.8967 8.7779 118.2423 62.1390 70.6481 175.5928 66 T 4.0936 8.2691 114.5858 62.7894 69.6513 174.0415 67 D 4.5680 7.8770 123.4497 52.9452 41.0196 174.6422 68 P 4.2920 0.0000 0.0000 65.9098 31.5092 178.3047 69 S 4.1537 8.4497 113.3511 60.2154 62.8577 174.0588 70 V 4.1528 7.9290 120.0173 60.6159 31.9886 175.0294 71 R 3.5978 8.5696 128.3500 58.4547 30.1655 175.9213 72 W 5.6595 7.3590 111.4262 55.5121 31.1402 173.0460 73 E 4.0154 8.9714 119.4706 54.7567 34.1608 174.5193 74 Y 5.1150 8.1432 118.6202 58.4921 39.7037 176.1079 75 C 4.9103 9.2447 119.1938 55.8253 42.4769 173.0790 76 N 5.0025 8.6054 116.9854 54.1522 38.6448 175.0795 77 L 4.5534 7.4904 115.3745 53.2132 43.2172 176.4388 78 K 4.5724 8.0396 119.6212 54.2844 34.5871 177.6160 79 K 3.0883 7.8614 119.1623 56.7158 32.1008 177.9284 80 C 3.9939 7.7761 121.7029 57.1944 40.5836 172.9319 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 4.28 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.08 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 0 D 8.57 4.75 0.00 2.73 2.64 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 0.00 0.00 0.00 1 C 8.05 5.04 0.00 3.03 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 2 Y 8.22 4.93 0.00 3.17 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 3 H 8.91 4.73 0.00 3.17 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.61 3.90 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 0.00 0.00 0.00 5 D 7.97 5.29 0.00 3.18 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 6 G 8.44 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 7 Q 8.22 4.08 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 8 S 8.09 4.27 0.00 4.06 4.05 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 9 Y 7.60 4.24 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.00 4.13 0.00 1.55 1.65 0.00 3.34 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 11 G 5.38 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 12 T 7.79 3.71 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 0.45 0.00 0.00 13 S 8.33 4.60 0.00 4.30 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 14 S 8.62 5.29 0.00 4.17 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 15 T 7.97 5.17 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 1.26 0.00 0.00 16 T 9.12 4.52 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 17 T 8.70 3.86 4.46 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 1.29 0.00 0.00 18 T 7.73 4.38 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 1.21 0.00 0.00 19 G 7.87 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 20 K 7.68 4.59 0.00 1.73 1.73 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.41 7.81 21 K 8.53 4.28 0.00 1.84 1.67 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.48 7.81 22 C 8.56 4.72 0.00 3.03 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.45 4.23 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 24 S 8.47 4.18 0.00 3.87 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 25 W 8.25 4.30 0.00 3.35 3.34 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 0.00 0.00 0.00 0.00 26 S 8.00 4.58 0.00 4.03 4.06 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 27 S 7.77 4.28 0.00 3.87 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 28 M 8.43 4.60 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 29 T 7.46 4.52 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 30 P 0.00 4.26 0.00 1.80 2.04 0.00 4.01 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 31 H 9.40 4.76 0.00 3.08 3.26 0.00 5.61 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.35 4.24 0.00 1.83 1.71 0.00 3.30 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 33 H 7.74 4.64 0.00 3.05 2.45 0.00 5.46 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.67 4.59 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.66 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 35 K 8.27 4.31 0.00 2.33 2.02 0.00 1.58 0.00 0.00 2.03 0.00 0.00 3.24 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 0.79 7.81 37 T 7.58 4.87 4.35 0.00 0.00 0.00 0.00 0.00 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 38 P 0.00 4.20 0.00 2.08 2.18 0.00 3.77 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 2.08 2.38 0.00 39 E 8.23 4.11 0.00 1.97 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 2.32 2.28 0.00 40 N 8.08 4.49 0.00 3.33 2.64 0.00 0.00 6.65 7.46 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 41 Y 8.64 4.60 0.00 2.86 2.82 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 0.00 0.00 0.00 42 P 0.00 4.43 0.00 2.16 2.17 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 43 N 7.97 4.63 0.00 2.73 2.90 0.00 0.00 6.90 7.35 0.00 0.00 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 A 7.58 3.92 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.04 3.73 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 0.00 0.00 0.00 46 L 7.51 3.47 0.00 1.36 1.27 0.21 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.19 4.63 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 48 M 7.73 3.37 0.00 1.75 0.70 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 49 N 7.83 4.61 0.00 2.67 2.68 0.00 0.00 5.90 7.55 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 50 Y 7.16 4.82 0.00 3.21 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 51 C 8.94 4.77 0.00 2.96 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.80 4.48 0.00 0.98 1.34 0.00 3.33 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.45 0.00 53 N 8.11 5.49 0.00 2.62 2.64 0.00 0.00 6.90 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.26 0.00 1.42 1.51 0.00 3.36 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.00 0.00 55 D 8.18 4.59 0.00 2.83 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 56 A 8.21 3.69 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.16 4.68 0.00 2.87 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 58 K 8.61 3.97 0.00 1.93 2.06 0.00 1.60 0.00 0.00 1.89 0.00 0.00 2.55 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.55 1.54 7.81 *60 G 7.71 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 61 P 0.00 4.80 0.00 2.03 2.03 0.00 2.30 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 62 W 8.63 5.67 0.00 4.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.17 4.42 0.00 2.53 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 64 F 7.93 4.77 0.00 2.84 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 65 T 8.78 4.90 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 66 T 8.27 4.09 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 1.19 0.00 0.00 67 D 7.88 4.57 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.29 0.00 2.07 2.09 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 69 S 8.45 4.15 0.00 4.02 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 70 V 7.93 4.15 2.05 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 0.71 0.00 0.00 0.87 0.00 0.00 71 R 8.57 3.60 0.00 1.93 2.02 0.00 3.38 0.00 0.00 3.61 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.78 0.00 72 W 7.36 5.66 0.00 3.22 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.97 4.02 0.00 1.80 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 74 Y 8.14 5.11 0.00 2.96 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 75 C 9.24 4.91 0.00 3.06 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 76 N 8.61 5.00 0.00 2.99 2.83 0.00 0.00 7.16 7.40 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 77 L 7.49 4.55 0.00 1.71 1.82 0.32 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.04 4.57 0.00 1.64 1.59 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.34 7.81 79 K 7.86 3.09 0.00 1.48 1.63 0.00 1.69 0.00 0.00 1.24 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.02 1.25 7.81 80 C 7.78 3.99 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.