NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2612 8.3349 115.3821 57.2059 64.3636 173.3318 2 W 3.7525 8.4149 121.6008 56.0174 29.2968 170.8132 3 V 4.1791 8.7841 123.4174 61.2838 32.5196 174.7610 4 W 4.9335 8.6612 126.7268 56.9027 31.2782 175.7987 5 N 4.9769 8.0525 117.6827 53.0628 36.1973 174.7180 6 Q 5.1338 8.0169 115.6144 55.5174 33.4813 175.9486 7 M 4.9439 9.1258 121.1677 53.7090 36.3186 174.2354 8 F 5.2500 9.0664 120.9741 55.8493 41.6969 175.2750 9 V 4.5733 8.9343 122.2031 61.0953 35.2076 174.5827 10 L 4.6120 8.7068 127.6689 53.7225 41.9942 176.8055 11 E 3.9138 9.0993 125.7707 59.3045 29.6528 178.4209 12 E 3.6854 8.1672 117.3883 58.9848 29.3946 177.2559 13 F 4.8642 7.4331 114.0944 57.4668 39.4140 175.9611 14 S 4.5544 8.0456 116.4760 56.8631 64.1710 174.5705 15 G 3.8604 7.9696 105.7309 45.3602 0.0000 170.3000 16 P 4.3123 0.0000 0.0000 65.2405 31.6069 176.8468 17 E 4.1793 8.0145 118.1350 55.1859 29.8328 174.6859 18 P 5.4100 0.0000 0.0000 62.0776 32.2855 175.7642 19 I 4.6567 8.2401 116.6741 58.5816 40.6542 174.4513 20 L 4.0527 8.6477 127.7226 55.7132 42.0011 176.0965 21 V 4.0731 8.9327 126.5902 63.4042 33.0114 175.7441 22 G 3.8964 7.1911 105.3380 46.3935 0.0000 170.3432 23 R 4.7945 7.9332 118.5743 55.0621 32.6985 175.7486 24 L 4.0717 8.6241 127.2804 54.8719 42.9778 175.5442 25 H 4.8201 8.3804 121.4973 55.4146 32.8697 172.5584 26 T 4.6359 8.3539 121.9069 61.7951 71.1101 174.4944 27 D 4.6751 8.4087 125.3783 53.3730 39.2495 175.7240 28 L 4.7210 7.4154 117.4183 53.8547 44.9508 176.2665 29 D 4.6723 8.3566 120.5788 52.7984 41.7784 176.1989 *34 K 4.4179 8.5414 125.1972 56.1762 33.8687 174.7816 35 I 4.1891 7.6709 118.0298 60.1185 38.2645 174.6459 36 K 3.9720 8.3525 129.3360 54.9407 33.5780 174.5101 37 Y 4.9848 8.6817 125.8447 56.8539 39.9217 174.6790 38 I 4.7047 8.8647 124.6931 59.2869 40.8591 174.1306 39 L 5.4641 8.7036 128.0576 53.3748 44.4950 175.2363 40 S 4.6143 9.0372 119.5136 57.1816 67.4326 173.0857 41 G 4.0422 8.9815 104.0149 44.1117 0.0000 170.7469 42 D 4.8991 7.3819 119.1383 54.9674 40.5308 176.6563 43 G 3.9543 8.9169 109.8277 45.4265 0.0000 170.6999 44 A 4.4283 7.9224 123.1754 53.2532 18.7368 176.8775 45 G 4.3023 9.9947 113.2654 45.5651 0.0000 174.5833 46 T 4.2783 7.6730 107.5748 62.7573 70.3358 174.9991 47 I 4.0646 7.6770 120.8072 61.6835 40.0068 175.6594 48 F 5.3905 8.3071 121.1240 55.5803 41.5075 174.5185 49 Q 4.9385 9.3515 125.1586 54.2575 31.6378 173.8044 50 I 4.9691 8.4448 126.1280 59.3913 40.5258 174.0496 51 N 4.8765 8.8156 127.8993 52.5172 39.4388 175.6634 52 D 4.9641 8.9994 125.8336 55.3059 40.1519 178.3916 53 I 4.2111 8.6066 121.2412 63.8608 37.6408 177.1615 54 T 4.1409 8.2450 107.8338 62.0089 69.4280 175.8592 55 G 3.5847 8.3712 109.9091 45.8734 0.0000 172.7267 56 D 4.7339 7.9168 121.1381 54.5950 42.1081 175.3031 57 I 4.9625 8.7111 124.8984 60.1704 39.1880 174.4042 58 H 5.4228 9.4317 124.5501 53.8633 31.9741 173.4732 59 A 4.7883 9.0279 124.7443 51.4049 19.5656 177.7408 60 I 4.4241 8.7524 115.3567 60.4211 38.5902 175.4791 61 K 4.6963 7.5998 120.6773 54.1565 36.0759 175.9138 62 R 3.9962 8.6178 122.6072 57.0863 30.2619 176.1869 63 L 4.4796 8.7230 126.6482 53.8416 43.4000 176.5109 64 D 4.5027 8.1973 119.6138 52.6239 42.1354 175.6167 65 R 4.2793 8.6997 127.3344 58.5754 30.3946 177.9534 66 E 4.1095 8.1050 116.6080 59.1990 29.7731 178.1033 67 E 4.0188 8.4155 118.5398 58.3705 29.9467 176.7744 68 K 4.2754 8.1829 120.5532 55.0799 34.9905 175.8379 69 A 4.4374 8.5806 128.3366 53.7454 20.2691 176.3502 70 E 5.0036 7.7657 114.7432 54.9537 33.1531 174.2239 71 Y 4.5756 9.1692 124.3344 56.4923 40.6155 174.8939 72 T 4.5124 8.5900 122.1875 62.8034 69.7442 174.3429 73 L 4.6925 8.3750 126.2300 52.9683 46.2000 175.4382 74 T 5.0626 8.6171 116.2939 61.8886 71.4807 173.3469 75 A 5.0594 9.6466 129.1249 51.0327 20.8620 176.0437 76 Q 4.9442 9.1691 119.9570 53.9966 33.6773 174.4000 77 A 4.8103 8.4083 122.4737 50.4103 22.1630 175.4256 78 V 4.7790 8.5414 115.5051 59.2517 36.6435 174.7454 79 D 4.5823 8.5251 122.9740 54.1041 41.5107 177.3775 80 F 4.0461 8.3183 124.8138 60.4621 39.4012 176.4488 81 E 4.2416 8.5907 120.1967 58.4543 29.7801 176.9447 82 T 4.2562 8.4675 106.2388 60.8860 69.7768 174.6300 83 N 4.2054 8.1201 117.5037 53.7948 37.2536 174.4197 84 K 4.2140 7.6028 117.9229 55.0551 32.7916 174.8637 85 P 4.7361 0.0000 0.0000 63.1344 31.6461 176.2999 86 L 4.4441 8.8293 121.6677 55.0605 42.6066 176.2683 87 E 4.7883 7.6281 116.4623 53.3066 33.5286 173.2873 88 P 4.3993 0.0000 0.0000 61.8878 32.0827 174.4826 89 P 4.5952 0.0000 0.0000 63.0991 31.8238 175.5210 90 S 4.8420 9.0331 119.3640 56.3377 65.4046 173.0151 91 E 4.9676 8.9100 126.1707 56.4816 30.4082 175.6310 92 F 5.1682 8.9429 117.1694 55.7684 42.5496 172.9027 93 I 4.8274 8.6262 119.2834 59.5429 40.4398 174.7700 94 I 4.6562 8.4438 128.0455 59.7674 38.9119 174.7303 95 K 4.8893 9.1353 127.3442 54.5524 34.8201 175.5918 96 V 4.5075 8.6341 125.3622 62.0250 31.8709 175.8445 97 Q 2.8678 8.9494 132.2009 57.8543 30.2668 173.5249 98 D 4.4749 7.7110 115.7556 53.9982 43.4406 176.9479 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 S 8.33 4.26 0.00 4.02 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 2 W 8.41 3.75 0.00 3.36 2.12 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 3 V 8.78 4.18 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 0.87 0.00 0.00 0.88 0.00 0.00 4 W 8.66 4.93 0.00 3.33 3.17 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 0.00 0.00 0.00 0.00 5 N 8.05 4.98 0.00 2.92 3.13 0.00 0.00 6.02 7.15 0.00 0.00 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 Q 8.02 5.13 0.00 1.95 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.44 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 7 M 9.13 4.94 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 8 F 9.07 5.25 0.00 2.94 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 9 V 8.93 4.57 2.25 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 1.13 0.00 0.00 1.04 0.00 0.00 10 L 8.71 4.61 0.00 2.04 1.57 1.23 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 11 E 9.10 3.91 0.00 2.02 2.31 0.00 0.00 0.00 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 2.57 0.00 12 E 8.17 3.69 0.00 1.60 1.12 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 2.01 2.02 0.00 13 F 7.43 4.86 0.00 3.16 2.99 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 14 S 8.05 4.55 0.00 4.14 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 15 G 7.97 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 0.00 0.00 0.00 16 P 0.00 4.31 0.00 2.05 2.12 0.00 3.69 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 2.03 2.10 0.00 17 E 8.01 4.18 0.00 1.98 1.91 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 2.32 2.34 0.00 18 P 0.00 5.41 0.00 1.91 1.99 0.00 3.66 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 19 I 8.24 4.66 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.06 1.02 0.00 0.00 20 L 8.65 4.05 0.00 1.58 1.59 0.81 0.88 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 21 V 8.93 4.07 2.24 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 0.75 0.00 0.00 1.14 0.00 0.00 22 G 7.19 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 23 R 7.93 4.79 0.00 1.67 1.62 0.00 3.25 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.56 0.00 24 L 8.62 4.07 0.00 1.15 1.38 1.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.38 4.82 0.00 2.91 3.04 0.00 5.88 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.35 4.64 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 1.28 0.00 0.00 27 D 8.41 4.68 0.00 2.79 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 28 L 7.42 4.72 0.00 1.60 1.57 0.89 1.08 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 29 D 8.36 4.67 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.54 4.42 0.00 1.90 1.89 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.68 1.55 7.81 35 I 7.67 4.19 1.63 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 1.10 0.63 0.14 0.00 0.00 36 K 8.35 3.97 0.00 0.79 1.07 0.00 1.16 0.00 0.00 1.30 0.00 0.00 2.72 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.02 0.96 7.81 37 Y 8.68 4.98 0.00 3.05 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 38 I 8.86 4.70 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.90 0.93 0.00 0.00 39 L 8.70 5.46 0.00 1.70 1.60 1.24 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.04 4.61 0.00 3.93 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 41 G 8.98 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 42 D 7.38 4.90 0.00 2.97 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 43 G 8.92 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 44 A 7.92 4.43 1.40 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 0.00 0.00 45 G 9.99 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.67 4.28 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 1.22 0.00 0.00 47 I 7.68 4.06 1.58 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.51 -0.28 0.00 0.00 48 F 8.31 5.39 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.35 4.94 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 50 I 8.44 4.97 1.96 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 1.31 1.23 0.99 0.00 0.00 51 N 8.82 4.88 0.00 2.88 2.73 0.00 0.00 6.91 7.78 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 52 D 9.00 4.96 0.00 3.05 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 53 I 8.61 4.21 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 0.99 0.00 0.00 54 T 8.24 4.14 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 55 G 8.37 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 0.00 0.00 0.00 56 D 7.92 4.73 0.00 2.68 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 57 I 8.71 4.96 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 1.00 0.00 0.00 58 H 9.43 5.42 0.00 3.11 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 9.03 4.79 1.26 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 0.00 0.00 0.00 60 I 8.75 4.42 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.92 0.00 0.00 61 K 7.60 4.70 0.00 1.44 1.61 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.32 7.81 62 R 8.62 4.00 0.00 1.79 1.84 0.00 3.34 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 63 L 8.72 4.48 0.00 1.69 1.65 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.20 4.50 0.00 2.62 2.52 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 65 R 8.70 4.28 0.00 1.98 1.98 0.00 3.59 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 66 E 8.10 4.11 0.00 2.16 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 2.35 2.29 0.00 67 E 8.42 4.02 0.00 1.93 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 0.00 2.30 2.29 0.00 68 K 8.18 4.28 0.00 1.64 1.44 0.00 1.40 0.00 0.00 1.12 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.98 7.81 69 A 8.58 4.44 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 70 E 7.77 5.00 0.00 1.90 1.69 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 2.12 2.28 0.00 71 Y 9.17 4.58 0.00 2.76 2.77 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 72 T 8.59 4.51 4.17 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 0.00 0.00 0.00 1.13 0.00 0.00 73 L 8.38 4.69 0.00 0.27 1.29 0.40 0.49 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 74 T 8.62 5.06 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 1.26 0.00 0.00 75 A 9.65 5.06 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 76 Q 9.17 4.94 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 77 A 8.41 4.81 1.03 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 0.00 0.00 78 V 8.54 4.78 2.13 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 0.59 0.00 0.00 0.73 0.00 0.00 79 D 8.53 4.58 0.00 2.78 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.32 4.05 0.00 3.08 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 81 E 8.59 4.24 0.00 1.97 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 0.00 2.28 2.31 0.00 82 T 8.47 4.26 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 1.24 0.00 0.00 83 N 8.12 4.21 0.00 2.88 2.90 0.00 0.00 7.00 6.94 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 84 K 7.60 4.21 0.00 1.83 1.70 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.36 7.81 85 P 0.00 4.74 0.00 2.25 2.04 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 86 L 8.83 4.44 0.00 1.51 1.69 0.82 1.04 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 87 E 7.63 4.79 0.00 1.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 88 P 0.00 4.40 0.00 2.19 2.06 0.00 3.78 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 2.00 2.00 0.00 89 P 0.00 4.60 0.00 1.98 2.07 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 90 S 9.03 4.84 0.00 3.91 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 91 E 8.91 4.97 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 2.31 2.32 0.00 92 F 8.94 5.17 0.00 3.28 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 93 I 8.63 4.83 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.87 0.82 0.00 0.00 94 I 8.44 4.66 1.36 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.67 0.00 0.00 95 K 9.14 4.89 0.00 0.83 1.59 0.00 0.98 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.07 7.81 96 V 8.63 4.51 2.23 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 0.83 0.00 0.00 1.23 0.00 0.00 97 Q 8.95 2.87 0.00 2.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 98 D 7.71 4.47 0.00 2.76 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 * Residues marked with a * may have inaccurate shift predictions.