NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5795 8.3644 120.1915 53.9180 42.5844 175.2737 4 E 3.9428 8.5250 124.4615 58.6330 30.2719 177.3833 5 T 3.9218 9.2004 116.8890 66.7208 69.5229 175.7059 6 L 4.0894 7.8352 119.3028 57.5427 41.7698 178.2612 7 R 4.1863 7.6507 115.7639 57.2308 30.3810 176.9473 8 L 4.2707 7.3646 118.0906 54.0930 42.4102 177.0190 9 Q 4.1902 8.4308 122.1321 55.6540 30.6879 176.7200 10 F 4.4782 9.0112 129.1090 61.5393 39.5583 177.4826 11 G 3.5267 8.1292 104.7305 48.2675 0.0000 175.1730 12 H 4.3328 8.1515 118.2148 58.4281 28.6917 178.0494 13 L 3.9797 7.6692 121.0169 57.8816 41.3326 179.4031 14 I 3.5813 7.5162 117.1862 63.3791 38.1348 177.8539 15 R 4.1081 7.7589 118.9919 58.8739 30.2375 178.8743 16 I 3.8064 7.6708 119.3620 64.4532 37.2555 178.6362 17 L 4.0039 7.8125 119.6363 57.3900 41.5414 177.6210 18 P 4.2523 0.0000 0.0000 65.9598 31.2201 178.7430 19 T 3.8726 7.5036 113.5536 66.5378 68.3679 176.7150 20 L 4.2262 7.9632 120.8880 57.7621 41.7136 179.2018 21 L 3.9813 7.9935 120.2001 58.4296 41.8079 178.9675 22 E 3.9614 8.2573 118.3467 59.2732 29.2301 179.2749 23 F 4.4136 7.9911 117.8869 60.7237 39.0419 177.3533 24 E 4.0284 8.4512 118.8890 59.2885 29.2348 178.9789 25 K 4.0600 8.0409 117.6075 59.1674 32.2117 178.7107 26 K 4.3429 7.8086 116.2708 56.3491 32.2328 177.7964 27 G 3.9237 7.8817 107.3968 46.0570 0.0000 172.6173 28 Y 4.4706 8.2768 120.2600 55.8047 39.9191 175.3918 29 E 4.2873 7.3874 126.2256 53.7353 30.0018 173.6799 30 P 4.4271 0.0000 0.0000 61.4258 32.6711 177.1952 31 S 5.1401 8.4314 117.3640 57.4891 65.1571 175.5243 32 L 3.9326 8.3812 121.1389 57.8434 41.3447 179.4626 33 A 4.0026 8.0529 120.2360 55.3920 18.2371 179.4206 34 E 3.9863 7.9490 116.8110 59.3324 29.4411 179.7025 35 I 3.7781 7.3694 119.7385 64.2058 37.2253 178.3861 36 V 3.2412 7.3226 118.9921 65.7986 31.0744 178.0035 37 K 3.8570 7.8419 117.3314 59.5789 32.2360 178.2622 38 A 4.1265 7.9971 119.9855 55.1880 18.3719 179.3980 39 S 4.2319 8.1396 111.6404 59.3125 63.3927 175.7571 40 G 3.9058 7.8115 109.0486 45.4216 0.0000 174.0702 41 V 3.9295 6.9665 111.9090 60.6944 32.4913 176.7907 42 S 4.5256 8.2541 117.2360 57.6060 65.4720 174.8223 43 E 4.0332 8.7265 123.2433 59.5573 29.1360 179.1552 44 K 4.0591 8.0148 117.9153 59.7738 32.5840 178.3518 45 T 4.0264 7.9222 116.0447 66.6522 68.4101 176.2150 46 F 4.0064 8.3375 122.3364 60.9951 39.6608 176.5930 47 F 4.5313 8.4241 116.4143 57.6768 39.3367 176.9825 *49 G 3.9418 7.9679 108.8156 45.5705 0.0000 175.4433 50 L 3.7839 7.7153 121.2021 57.8017 42.1150 178.5031 51 K 3.2955 7.0844 119.6374 59.9342 31.9108 178.2701 52 D 4.3630 7.7548 117.7696 56.9764 40.7705 178.8638 53 R 3.9619 7.8390 119.1237 59.0862 30.0668 178.9222 54 L 4.0673 8.0235 118.8565 57.4418 41.4648 179.7124 55 I 3.9643 7.5370 121.1887 64.0869 36.9565 178.6188 56 R 3.9387 7.8275 117.0314 58.9785 29.9459 178.1363 57 A 4.3374 7.9274 118.1359 51.7203 18.7126 177.4796 58 G 3.8445 8.1356 105.6243 46.5612 0.0000 174.8567 59 L 4.5609 8.0337 121.4481 55.3458 43.3056 176.9469 60 V 5.0126 7.5762 110.0546 59.6687 36.9123 174.2113 61 K 4.7731 9.1488 121.2416 54.5902 35.5430 175.2928 62 E 4.7671 8.8372 125.8664 55.8883 30.6331 175.3506 63 E 4.8175 9.0647 125.3264 54.6319 34.1935 175.3365 64 T 4.3308 8.4998 119.8888 63.3472 68.8277 174.4725 65 L 4.1277 8.5685 129.5132 57.2806 42.4139 175.9346 66 S 4.6479 7.8322 111.2255 56.8633 65.9696 174.0401 67 Y 4.2047 8.7770 117.8420 59.3960 37.6583 177.2336 68 R 3.9576 7.1316 119.7909 57.2638 31.2061 176.3859 69 V 4.4928 7.0136 109.3622 59.4664 35.8288 174.1741 70 K 5.0905 8.2734 119.9469 55.2049 35.9718 174.5882 71 T 4.9538 8.7224 115.2305 60.8786 71.7152 171.9292 72 L 5.2410 8.4582 122.7015 52.7759 44.6555 176.3341 73 K 4.6842 9.0532 122.8420 54.3838 34.7548 175.8165 74 L 4.6731 8.5108 124.5936 55.0912 42.5690 177.2579 75 T 4.2885 8.4325 114.0671 60.7688 70.8825 175.3503 76 E 3.9266 8.7730 120.8477 59.0387 29.5681 178.1505 77 K 3.9553 8.1428 119.4679 59.6531 32.3037 178.5465 78 G 3.7500 7.8600 105.4537 47.9503 0.0000 175.4794 79 R 3.9259 8.3714 121.3082 59.2405 29.9493 178.8802 80 R 3.9311 8.1649 117.9636 59.2513 30.1064 178.8686 81 L 3.9677 8.1343 119.9064 57.8648 42.0433 178.7454 82 A 4.0054 8.1608 120.9208 55.2834 18.3161 179.3779 83 E 3.9424 7.9597 117.0898 59.9123 29.6487 179.5193 84 C 4.2180 7.9021 116.6289 62.7185 28.1687 176.1041 85 L 4.1421 8.1054 120.5536 57.2694 41.0665 179.1883 86 E 3.9248 8.2151 118.9784 59.4864 28.9138 179.5204 87 K 4.0066 7.6447 117.7138 59.6872 31.9818 179.1497 88 C 4.2479 8.0480 116.5429 63.0407 27.6080 176.4787 89 R 3.9899 7.9909 119.5951 59.1245 29.3720 178.7698 90 D 4.4441 7.6777 117.9781 57.1346 40.7980 178.6024 91 V 3.7746 7.2390 117.3255 65.4007 31.6888 176.9660 92 L 4.0086 8.0383 117.9534 52.8048 41.0632 177.1055 93 G 4.0031 6.3165 114.6198 46.1642 0.0000 173.2322 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 3 D 8.36 4.58 0.00 2.66 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 4 E 8.52 3.94 0.00 2.17 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 2.37 2.46 0.00 5 T 9.20 3.92 4.26 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 0.00 0.00 0.00 1.24 0.00 0.00 6 L 7.84 4.09 0.00 1.79 1.74 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.65 4.19 0.00 2.10 1.98 0.00 3.29 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 8 L 7.36 4.27 0.00 1.73 1.64 0.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.43 4.19 0.00 2.07 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 10 F 9.01 4.48 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 11 G 8.13 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.15 4.33 0.00 3.36 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.67 3.98 0.00 1.82 1.69 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.52 3.58 1.30 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.25 0.71 0.00 0.00 15 R 7.76 4.11 0.00 1.97 2.02 0.00 3.26 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 16 I 7.67 3.81 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.91 1.01 0.00 0.00 17 L 7.81 4.00 0.00 1.72 1.72 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.25 0.00 2.09 2.06 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 19 T 7.50 3.87 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 1.27 0.00 0.00 20 L 7.96 4.23 0.00 1.94 1.81 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.99 3.98 0.00 1.87 1.85 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.26 3.96 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 23 F 7.99 4.41 0.00 3.37 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 24 E 8.45 4.03 0.00 2.23 2.20 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 2.35 2.39 0.00 25 K 8.04 4.06 0.00 1.79 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.65 7.81 26 K 7.81 4.34 0.00 2.01 1.93 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.63 7.81 27 G 7.88 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 28 Y 8.28 4.47 0.00 3.00 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 29 E 7.39 4.29 0.00 1.64 1.66 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 2.10 2.12 0.00 30 P 0.00 4.43 0.00 1.73 0.75 0.00 3.54 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.18 0.00 31 S 8.43 5.14 0.00 4.04 3.98 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 32 L 8.38 3.93 0.00 1.95 1.96 1.31 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.05 4.00 1.33 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 0.00 0.00 34 E 7.95 3.99 0.00 2.08 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 2.37 2.35 0.00 35 I 7.37 3.78 1.73 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.63 0.84 0.00 0.00 36 V 7.32 3.24 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 0.95 0.00 0.00 0.25 0.00 0.00 37 K 7.84 3.86 0.00 1.79 1.82 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.45 7.81 38 A 8.00 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.14 4.23 0.00 4.10 4.01 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 0.00 0.00 0.00 40 G 7.81 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 0.00 0.00 0.00 41 V 6.97 3.93 2.08 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 0.73 0.00 0.00 0.89 0.00 0.00 42 S 8.25 4.53 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.73 4.03 0.00 2.15 2.11 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 2.76 2.77 0.00 44 K 8.01 4.06 0.00 1.85 1.88 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.59 7.81 45 T 7.92 4.03 4.40 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 1.11 0.00 0.00 46 F 8.34 4.01 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 47 F 8.42 4.53 0.00 3.31 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 *49 G 7.97 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 50 L 7.72 3.78 0.00 1.62 1.65 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.08 3.30 0.00 0.79 1.20 0.00 1.58 0.00 0.00 1.08 0.00 0.00 3.08 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.17 1.14 7.81 52 D 7.75 4.36 0.00 2.65 2.65 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 0.00 0.00 0.00 0.00 53 R 7.84 3.96 0.00 1.99 1.96 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 54 L 8.02 4.07 0.00 1.83 1.70 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.54 3.96 1.96 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 1.51 1.46 0.89 0.00 0.00 56 R 7.83 3.94 0.00 1.78 2.00 0.00 3.15 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 57 A 7.93 4.34 1.32 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 0.00 0.00 0.00 58 G 8.14 3.84 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 0.00 0.00 0.00 59 L 8.03 4.56 0.00 1.74 1.72 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.58 5.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 61 K 9.15 4.77 0.00 1.61 1.66 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.34 7.81 62 E 8.84 4.77 0.00 1.98 1.85 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 2.30 2.55 0.00 63 E 9.06 4.82 0.00 1.90 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 2.21 2.26 0.00 64 T 8.50 4.33 4.25 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 1.25 0.00 0.00 65 L 8.57 4.13 0.00 1.52 1.79 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.83 4.65 0.00 3.99 3.86 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 67 Y 8.78 4.20 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.13 3.96 0.00 0.67 1.49 0.00 3.07 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.40 0.00 69 V 7.01 4.49 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 0.77 0.00 0.00 0.81 0.00 0.00 70 K 8.27 5.09 0.00 1.73 1.73 0.00 1.64 0.00 0.00 1.96 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.40 7.81 71 T 8.72 4.95 4.18 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 1.18 0.00 0.00 72 L 8.46 5.24 0.00 1.59 1.57 1.10 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 73 K 9.05 4.68 0.00 1.61 1.70 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.64 7.81 74 L 8.51 4.67 0.00 1.56 1.62 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.43 4.29 4.25 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 1.22 0.00 0.00 76 E 8.77 3.93 0.00 2.11 1.99 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 2.38 2.43 0.00 77 K 8.14 3.96 0.00 1.87 1.80 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.53 7.81 78 G 7.86 3.75 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 0.00 0.00 0.00 79 R 8.37 3.93 0.00 1.98 2.15 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 80 R 8.16 3.93 0.00 1.90 1.97 0.00 3.39 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 81 L 8.13 3.97 0.00 1.90 1.68 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.16 4.01 1.42 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 83 E 7.96 3.94 0.00 2.13 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 2.48 2.51 0.00 84 C 7.90 4.22 0.00 3.12 3.01 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 0.00 0.00 0.00 85 L 8.11 4.14 0.00 1.82 1.65 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.22 3.92 0.00 2.17 1.99 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 2.51 2.49 0.00 87 K 7.64 4.01 0.00 2.06 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.64 7.81 88 C 8.05 4.25 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.99 3.99 0.00 2.09 1.94 0.00 3.12 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 90 D 7.68 4.44 0.00 2.78 2.73 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 91 V 7.24 3.77 2.27 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 0.85 0.00 0.00 1.02 0.00 0.00 92 L 8.04 4.01 0.00 1.63 1.50 1.04 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 93 G 6.32 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.