NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4921 8.1776 115.2967 57.9262 63.4399 174.4957 3 W 3.9279 8.8771 124.8668 56.8357 28.8524 175.5531 4 I 3.1413 6.6231 110.6692 60.9329 38.1958 178.2444 5 E 3.8028 7.5735 122.8509 59.4517 29.1779 176.8834 6 P 4.2964 0.0000 0.0000 65.6201 31.2971 178.6853 7 I 3.7181 7.5315 118.0745 64.4086 37.1022 178.4452 8 I 3.6898 7.5297 120.3738 64.3104 36.8554 178.2651 9 S 4.0798 8.6619 114.3900 61.8205 62.0904 175.8560 10 H 4.1899 8.5089 120.9255 59.0634 29.4867 176.7350 11 F 3.9801 8.5296 122.9230 61.6729 39.0521 176.9730 12 C 3.7934 8.2263 116.0582 62.8194 27.8685 175.9311 13 Q 3.8889 8.2969 121.2806 59.2473 28.3549 178.0565 14 D 4.3341 8.0333 119.3811 56.6538 40.8455 177.6141 15 L 4.3478 7.0366 117.2811 53.8887 41.7088 177.0176 16 G 3.6949 7.8922 106.9110 46.2450 0.0000 174.3431 17 V 4.1057 7.5720 120.4785 59.7386 31.3438 173.7370 18 P 4.4448 0.0000 0.0000 62.7152 31.8851 176.3254 19 T 4.7098 8.0042 110.3374 59.8274 71.8520 173.3818 20 S 4.6146 8.4257 117.4621 57.1709 64.7606 173.3517 21 S 4.6476 8.2742 117.1376 56.1884 63.5803 172.0638 22 P 4.9778 0.0000 0.0000 61.4325 32.3095 175.7290 23 L 4.3031 8.3085 119.8594 53.8929 42.4379 177.3686 24 S 4.3044 8.3566 116.5074 57.5706 63.0415 172.5927 25 P 4.6942 0.0000 0.0000 64.0973 32.1478 175.1013 26 L 5.1531 8.0137 122.5824 53.3849 44.3702 175.4265 27 I 4.5842 8.5538 127.2967 59.4684 40.0423 174.4027 28 Q 5.0570 8.7322 127.0937 54.2820 31.5100 174.1370 29 L 4.7879 9.4052 126.7993 53.0321 44.5069 175.1307 30 E 4.9725 8.8625 123.5912 55.2451 30.9578 175.1694 31 M 4.6204 9.2128 124.7715 53.3778 33.8952 177.1360 32 A 3.9990 8.9784 126.4617 54.9476 18.8994 178.1195 33 Q 4.4612 7.9865 112.0285 57.6758 30.3568 177.3004 34 S 4.4014 7.9325 111.6235 59.3391 64.1785 174.0359 35 G 3.9357 7.7490 105.9755 44.2571 0.0000 172.5226 36 T 4.8964 8.8539 119.2472 61.9287 70.7446 173.5769 37 L 5.1640 9.1002 129.8026 53.6623 44.1267 174.9387 38 Q 5.1844 9.5706 125.4667 54.1651 32.1699 174.6760 39 L 4.8574 9.0788 124.0856 53.2636 43.7012 174.8385 40 E 5.0962 9.1819 126.5123 54.3742 31.9817 174.5883 41 Q 4.9204 9.1260 127.3041 55.0142 30.5610 174.8915 42 H 5.0306 8.9288 119.9940 54.8069 32.4643 173.1402 43 G 3.7026 8.4899 113.0161 47.1247 0.0000 173.8149 44 A 4.8873 8.5234 123.1480 51.8677 19.9025 175.4471 45 T 4.9177 8.0961 115.0756 63.0948 72.8580 173.1635 46 L 4.9053 9.0235 127.2008 53.7395 44.3754 174.9733 47 T 4.7366 8.5966 123.4895 61.6061 71.3142 173.4272 48 L 4.7740 8.3204 126.7568 53.5253 43.3753 175.5538 49 W 5.3499 8.9370 124.6332 54.7700 31.9151 174.7339 50 L 5.2802 9.4808 126.9519 53.4649 44.0491 174.5300 51 A 5.2189 9.1902 129.2672 50.1378 21.9587 175.1268 52 R 4.7189 8.7378 121.8731 54.6575 33.7941 174.2128 53 S 4.8024 8.7422 122.6477 58.3049 63.6608 173.4496 54 L 4.8761 8.5945 124.4401 52.3704 44.2155 176.6462 55 A 4.2041 8.4687 124.9957 51.6704 19.2137 178.5620 56 W 4.3782 9.1103 118.3403 59.9583 28.0469 177.6239 57 H 3.8791 6.3760 111.1587 56.0828 27.9154 176.1053 58 R 4.3627 7.6828 119.4514 56.6479 30.6309 177.7855 59 C 4.4846 7.8633 117.8104 62.6330 28.3394 175.3576 60 E 3.8109 8.0618 120.3562 59.5272 29.1323 178.5094 61 D 4.3548 8.0122 116.7891 57.0832 40.9827 178.1837 62 A 4.1935 7.5164 119.3206 55.4032 18.7521 179.0190 63 M 4.1961 8.1013 117.2732 58.7501 32.0123 180.1710 64 V 3.3937 7.4822 113.8048 63.8236 31.3215 177.2207 *66 A 4.2976 7.9325 121.8335 51.7953 20.3257 179.9135 67 L 4.1467 7.9269 114.6634 58.1870 41.6782 179.0210 68 T 4.0234 8.2918 115.5739 66.5647 68.4025 176.1457 69 L 4.3081 7.8507 117.9143 55.7079 41.9788 177.1701 70 T 4.3122 7.2686 106.5415 60.8678 69.4767 174.9298 71 A 4.0079 7.4280 124.9350 52.3385 18.9869 177.3911 72 A 4.1052 8.8116 124.9754 55.6253 18.3839 180.3236 73 Q 3.9450 7.9295 113.0854 56.6312 28.3880 175.8557 *75 S 4.3007 7.9120 111.2501 58.0298 63.5903 174.1169 76 G 4.1183 7.9219 110.7545 45.3157 0.0000 175.6815 77 A 4.1822 8.6709 123.1818 53.9964 18.8699 177.5954 78 L 4.7155 6.9602 115.4653 52.5141 44.0745 175.6605 79 P 4.5697 0.0000 0.0000 61.7208 29.9827 175.6900 80 L 4.2871 7.4287 121.3573 55.5964 42.8511 177.5682 81 R 4.6151 8.9697 120.8685 54.1637 34.6542 173.9815 82 A 4.9903 8.1484 121.1444 50.7631 22.2924 176.0012 83 G 4.4626 9.4372 106.4740 46.1888 0.0000 171.5529 84 W 5.5236 8.6954 127.6271 55.9488 33.7246 174.2890 85 L 4.6290 8.0003 125.5578 53.8893 44.3795 176.5654 86 G 3.9758 8.9475 116.1041 45.9512 0.0000 172.8788 87 E 4.3027 9.2251 117.1780 59.4512 29.6464 178.3951 88 S 5.0558 8.0085 109.9252 57.6187 66.0925 172.6630 89 Q 4.5059 7.4648 121.1256 54.2749 29.9521 174.7070 90 L 3.5706 7.6531 127.8192 54.4413 43.6115 175.6413 91 V 4.9099 8.6704 126.0014 61.1689 34.2381 173.9816 92 L 5.4196 9.0742 128.1088 53.1643 44.8181 175.5071 93 F 6.0146 8.8602 116.5693 56.3360 41.9322 173.4282 94 V 4.6707 8.0554 118.4781 60.5708 34.6632 173.3452 95 S 5.0095 8.6397 120.0903 56.9601 64.8353 173.3749 96 L 4.7460 8.6580 123.9446 52.5022 45.0229 175.6809 97 D 4.5926 8.6585 123.4167 53.9503 41.9429 176.3875 98 E 4.0112 9.2805 128.7310 59.2724 29.8162 178.8873 99 R 4.2771 8.6562 114.4833 57.9952 29.7116 177.1857 100 S 4.7529 7.7701 111.7671 57.5917 63.4690 173.7123 101 L 4.1505 7.8679 122.9780 55.6281 42.4792 176.7044 102 T 4.7985 8.0171 114.5342 58.8841 73.3158 174.7610 103 L 3.9161 8.3757 122.7582 58.0267 42.1855 177.3493 104 P 4.2912 0.0000 0.0000 65.3198 31.1494 178.3619 105 L 3.9064 7.8879 119.1196 58.0400 42.0902 178.5950 106 L 3.7426 7.9035 120.2671 58.6338 41.8897 178.6714 107 H 4.4538 8.4663 116.1304 59.1905 28.5693 177.8441 108 Q 4.0801 8.3858 119.5937 58.4040 28.5681 178.3178 109 A 3.9502 8.2753 122.3613 55.1232 18.4349 179.2537 110 F 4.2319 8.2008 118.9663 61.8527 39.4681 177.2848 111 E 3.7317 8.5503 118.0859 59.3290 29.2487 179.2726 112 Q 4.0188 8.4412 118.2759 58.3159 28.7347 178.4950 113 L 3.9696 7.9295 120.4261 57.6800 41.6578 179.4460 114 L 3.8610 7.6642 118.9482 57.6492 41.4555 179.6641 115 R 3.8556 8.0004 118.1067 59.1038 30.0367 178.6604 116 L 3.8728 7.8594 119.9032 58.3376 42.0859 178.5181 117 Q 3.9674 8.1914 119.4979 59.5766 28.9875 178.7409 118 Q 3.9673 8.1383 118.6531 59.0836 28.5368 178.7030 119 E 3.9808 8.1273 118.5374 59.3614 29.5586 179.1982 120 V 3.7350 8.1439 117.8167 65.3605 31.6855 177.1290 121 L 4.4613 7.6382 115.5161 54.5056 42.1748 176.9422 122 A 4.2840 7.7031 125.7158 52.6161 18.4953 176.9765 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 2 S 8.18 4.49 0.00 3.85 3.76 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 0.00 3 W 8.88 3.93 0.00 3.68 3.19 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 4 I 6.62 3.14 1.22 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.25 -0.83 0.00 0.00 5 E 7.57 3.80 0.00 1.98 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 2.30 2.35 0.00 6 P 0.00 4.30 0.00 2.22 2.11 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 7 I 7.53 3.72 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.66 0.82 0.00 0.00 8 I 7.53 3.69 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.45 0.90 0.00 0.00 9 S 8.66 4.08 0.00 3.85 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 10 H 8.51 4.19 0.00 3.40 3.41 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.53 3.98 0.00 3.02 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 12 C 8.23 3.79 0.00 3.14 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 13 Q 8.30 3.89 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 14 D 8.03 4.33 0.00 2.77 2.66 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 15 L 7.04 4.35 0.00 1.41 1.50 0.20 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.89 3.69 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 0.00 0.00 0.00 0.00 17 V 7.57 4.11 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 0.79 0.00 0.00 0.86 0.00 0.00 18 P 0.00 4.44 0.00 2.06 1.95 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 19 T 8.00 4.71 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 1.20 0.00 0.00 20 S 8.43 4.61 0.00 3.99 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 21 S 8.27 4.65 0.00 3.85 3.78 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 22 P 0.00 4.98 0.00 2.22 2.03 0.00 3.42 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 23 L 8.31 4.30 0.00 1.65 1.61 0.96 0.66 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 24 S 8.36 4.30 0.00 3.83 3.85 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 25 P 0.00 4.69 0.00 2.17 2.30 0.00 3.85 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 2.08 1.82 0.00 26 L 8.01 5.15 0.00 1.65 1.57 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.55 4.58 1.88 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 1.23 0.86 0.93 0.00 0.00 28 Q 8.73 5.06 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 29 L 9.41 4.79 0.00 1.64 1.57 0.93 0.94 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 30 E 8.86 4.97 0.00 1.86 1.90 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 2.26 2.28 0.00 31 M 9.21 4.62 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 32 A 8.98 4.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.99 4.46 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 34 S 7.93 4.40 0.00 3.88 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 35 G 7.75 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 36 T 8.85 4.90 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 1.27 0.00 0.00 37 L 9.10 5.16 0.00 1.91 1.79 1.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 9.57 5.18 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 39 L 9.08 4.86 0.00 1.56 1.51 0.89 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 40 E 9.18 5.10 0.00 2.27 2.09 0.00 0.00 0.00 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 2.37 0.00 41 Q 9.13 4.92 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 42 H 8.93 5.03 0.00 3.35 3.42 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.49 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 4.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 4.92 3.97 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 1.10 0.00 0.00 46 L 9.02 4.91 0.00 1.55 1.38 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.60 4.74 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 48 L 8.32 4.77 0.00 1.52 1.56 0.71 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.94 5.35 0.00 3.24 3.04 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 50 L 9.48 5.28 0.00 1.81 1.73 1.09 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 51 A 9.19 5.22 1.21 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 52 R 8.74 4.72 0.00 1.95 1.65 0.00 3.31 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 53 S 8.74 4.80 0.00 3.77 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 54 L 8.59 4.88 0.00 1.56 1.57 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.47 4.20 1.08 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 0.00 0.00 56 W 9.11 4.38 0.00 3.66 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 H 6.38 3.88 0.00 2.50 1.31 0.00 5.50 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.68 4.36 0.00 1.75 1.92 0.00 3.01 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 59 C 7.86 4.48 0.00 3.16 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 60 E 8.06 3.81 0.00 2.01 1.94 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 2.36 2.36 0.00 61 D 8.01 4.35 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.52 4.19 1.58 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 63 M 8.10 4.20 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.67 0.00 64 V 7.48 3.39 2.07 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 1.00 0.00 0.00 0.90 0.00 0.00 *66 A 7.93 4.30 1.46 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 67 L 7.93 4.15 0.00 1.82 1.74 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.29 4.02 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 69 L 7.85 4.31 0.00 1.62 1.69 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.27 4.31 4.29 0.00 0.00 0.00 0.00 0.00 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 71 A 7.43 4.01 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 72 A 8.81 4.11 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 3.94 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 *75 S 7.91 4.30 0.00 4.06 3.82 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 76 G 7.92 4.12 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 0.00 0.00 0.00 77 A 8.67 4.18 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 78 L 6.96 4.72 0.00 1.74 1.54 0.90 0.98 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 79 P 0.00 4.57 0.00 2.15 2.07 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 1.94 1.96 0.00 80 L 7.43 4.29 0.00 1.47 1.54 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.97 4.62 0.00 0.67 1.32 0.00 3.14 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 82 A 8.15 4.99 1.18 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 0.00 0.00 83 G 9.44 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 0.00 0.00 0.00 0.00 84 W 8.70 5.52 0.00 3.40 2.95 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 85 L 8.00 4.63 0.00 1.59 1.29 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.95 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 0.00 0.00 0.00 87 E 9.23 4.30 0.00 2.20 2.19 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 2.38 2.32 0.00 88 S 8.01 5.06 0.00 4.19 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 0.00 89 Q 7.46 4.51 0.00 1.83 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.05 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 90 L 7.65 3.57 0.00 1.48 1.31 1.17 0.54 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 91 V 8.67 4.91 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 1.08 0.00 0.00 0.89 0.00 0.00 92 L 9.07 5.42 0.00 1.64 1.49 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.86 6.01 0.00 2.85 3.25 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 0.00 94 V 8.06 4.67 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 0.64 0.00 0.00 0.87 0.00 0.00 95 S 8.64 5.01 0.00 3.75 3.77 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 96 L 8.66 4.75 0.00 1.50 1.46 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.66 4.59 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 9.28 4.01 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.19 0.00 99 R 8.66 4.28 0.00 1.96 2.10 0.00 3.06 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.59 0.00 100 S 7.77 4.75 0.00 3.95 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 0.00 101 L 7.87 4.15 0.00 1.56 1.71 0.81 1.07 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 0.00 102 T 8.02 4.80 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 0.00 103 L 8.38 3.92 0.00 1.79 1.72 1.02 0.75 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 0.00 104 P 0.00 4.29 0.00 2.22 2.11 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 105 L 7.89 3.91 0.00 1.78 1.81 0.91 0.49 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 0.00 106 L 7.90 3.74 0.00 1.60 1.65 0.42 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 107 H 8.47 4.45 0.00 3.49 3.48 0.00 5.86 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 0.00 108 Q 8.39 4.08 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 109 A 8.28 3.95 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 0.00 110 F 8.20 4.23 0.00 3.04 3.41 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 0.00 111 E 8.55 3.73 0.00 2.09 1.96 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 2.44 2.87 0.00 112 Q 8.44 4.02 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 113 L 7.93 3.97 0.00 1.84 1.69 0.96 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.66 3.86 0.00 1.57 1.53 0.24 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.00 3.86 0.00 2.00 1.94 0.00 3.26 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 116 L 7.86 3.87 0.00 1.83 1.82 0.90 0.44 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 0.00 117 Q 8.19 3.97 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 118 Q 8.14 3.97 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 119 E 8.13 3.98 0.00 2.05 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 2.55 2.44 0.00 120 V 8.14 3.74 2.30 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 0.92 0.00 0.00 1.01 0.00 0.00 121 L 7.64 4.46 0.00 1.66 1.68 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.70 4.28 1.31 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.