NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.9451 8.4545 109.7436 45.0051 0.0000 174.5781 9 E 3.8951 8.6786 114.7818 58.5034 29.9014 176.2559 10 G 3.8650 8.5615 107.9019 47.6924 0.0000 174.9396 *12 K 4.1737 8.0197 122.2079 54.2801 34.2056 182.6062 13 V 3.6927 7.6178 118.3260 65.3317 31.3881 178.2558 14 V 3.7530 7.7844 117.7349 66.1213 31.1920 177.6635 15 A 3.4980 7.8890 118.1256 55.0495 18.0749 179.0727 16 A 3.9089 7.5860 117.4316 55.0301 18.5947 179.0475 17 A 4.0715 8.0128 117.5466 52.7025 20.9252 177.2113 18 Y 4.9428 7.9582 114.6334 55.1486 38.4508 174.3054 19 P 4.3773 0.0000 0.0000 65.8850 31.9398 178.5508 20 D 4.3680 8.1491 118.2324 57.0652 40.8108 178.2389 21 L 3.9775 7.9954 120.3737 58.2705 42.1401 178.0938 22 Y 4.1027 8.4467 119.7783 60.7193 38.7443 177.5396 23 D 4.1408 8.4858 119.1757 57.5219 41.3152 178.2205 24 I 3.6910 7.8404 118.9596 63.8678 37.8328 177.8305 25 I 3.6059 7.8320 120.9582 64.3019 36.8744 178.4851 26 V 3.4255 7.4842 118.9533 65.9466 31.2381 178.2302 27 K 3.9021 7.9463 118.1970 59.1219 31.8460 178.9454 28 L 3.8587 8.5073 121.0681 58.2138 42.0037 178.4116 29 N 4.2612 8.3207 117.0376 57.0478 38.6598 176.4674 30 D 4.3908 8.0605 118.8376 57.7272 41.2406 178.6894 31 T 4.0410 8.2197 116.5629 66.3787 68.2486 177.0173 32 V 3.4760 7.9135 119.6575 65.7963 31.4857 177.1905 33 F 5.7180 7.5674 115.8655 56.4180 40.0634 176.7377 34 T 4.4988 7.3982 117.9783 61.6460 67.7134 174.3851 35 G 3.9251 8.0154 113.3509 44.6971 0.0000 171.7495 36 K 4.1994 8.5787 120.0176 58.9281 32.5603 178.0947 37 T 4.4529 7.7973 111.4491 64.9892 71.0411 174.5738 38 L 4.1910 7.7995 119.7923 54.3956 42.4586 177.2479 39 D 4.7860 8.4039 122.5899 52.7057 41.9840 176.9733 40 Y 4.3632 8.4873 119.9494 60.6400 38.7123 177.5726 41 K 3.5126 8.0461 120.0862 59.8141 32.2509 178.5270 42 T 3.8305 8.4475 115.9758 66.8972 68.5556 176.4711 43 Q 4.1322 8.0987 119.8377 59.1161 28.7936 179.1482 44 K 3.9682 8.2085 120.8282 59.2519 32.1176 178.9497 45 L 3.9772 8.0249 119.5222 57.6936 41.4532 179.4057 46 I 3.7095 7.9679 119.5722 64.3392 37.0863 178.2413 47 A 4.0460 8.2874 121.5799 55.2516 18.1710 179.5460 48 I 3.7609 7.9642 118.4206 64.6071 36.9927 178.8257 49 G 3.6494 7.8990 104.9264 47.8320 0.0000 175.5321 50 I 3.8975 7.9558 122.4540 64.3478 37.2173 179.1135 51 V 3.6879 7.9576 112.9524 64.2491 31.1238 178.5285 52 A 4.1207 8.2822 120.3498 54.6270 18.2693 179.1117 53 S 4.3471 7.7432 110.7285 59.8798 63.6198 173.6196 54 R 4.7051 7.6565 121.1400 54.9473 32.6990 175.0688 55 C 4.3705 8.4151 114.2463 60.2472 28.8455 174.4230 56 D 4.6350 7.9431 123.0013 53.8116 40.7902 176.5206 57 E 4.0250 8.6583 127.8605 61.0503 29.6732 176.5270 58 V 3.7559 8.0121 118.2440 65.9170 31.5345 178.0291 59 A 3.9983 8.1497 120.0709 55.1355 18.0462 179.5022 60 I 3.6944 7.5379 119.1664 65.2757 37.3326 178.7754 61 E 4.1975 8.3068 120.3253 61.6902 29.7687 181.5655 62 K 4.4386 8.3660 124.9643 59.6598 31.7905 181.6240 63 Q 4.4809 8.2613 118.2160 57.2830 28.0183 179.0094 *65 K 4.2887 7.9101 123.2196 54.6310 34.1166 180.9036 66 S 4.2464 8.2582 114.5568 61.1324 63.1801 176.5896 67 A 3.9860 8.0647 119.9631 53.1011 17.8003 178.9296 *69 K 4.2235 8.0921 118.1186 57.8020 33.9231 177.4877 70 E 4.1517 8.8692 117.2952 58.6429 29.0020 177.8925 71 L 4.5646 7.9559 115.8867 53.3993 43.3279 177.3431 72 G 3.8305 8.2213 105.9681 46.3200 0.0000 173.8999 73 I 4.0191 7.0211 117.3605 61.0312 37.7839 176.8575 74 T 4.4695 8.5473 115.4333 60.4060 71.7424 176.3042 75 K 3.9847 8.4247 121.1949 59.5536 32.0492 179.4172 76 E 4.0799 8.1422 117.5175 59.3983 29.4414 178.9683 77 E 3.9633 8.1058 119.1144 59.2868 29.4845 179.3681 78 I 3.7108 7.8457 119.6933 64.2767 37.1466 178.2656 79 A 4.0327 8.4897 122.0789 55.3578 17.6552 179.4110 80 D 4.3452 8.2061 117.4627 57.3519 40.9093 179.1725 81 V 3.4788 7.5846 118.5644 66.1191 31.5536 178.2067 82 L 4.1779 8.1433 118.5960 57.5626 41.4514 179.5712 83 R 3.9060 8.2682 118.5066 59.4778 30.0431 179.1602 84 V 3.6208 7.4087 117.4993 65.7988 31.4481 178.1315 85 V 3.6129 7.7377 117.9455 65.8327 31.3207 177.5880 86 L 4.0950 8.1714 120.0878 58.2929 41.6614 178.7875 87 L 3.9017 7.4953 118.3870 58.1987 42.1420 178.4913 88 T 4.2546 7.9316 108.0126 63.3831 69.2407 175.4738 89 S 4.6540 8.3943 114.1662 57.2574 66.7711 173.8928 90 G 3.9576 7.7541 106.6122 43.8975 0.0000 173.5108 *92 P 4.2969 0.0000 0.0000 62.1797 33.2260 178.2953 93 A 4.0093 8.0032 119.3158 54.9883 18.0845 179.1875 94 F 4.1000 7.9736 118.0944 61.7854 39.5885 177.1913 95 T 3.7965 7.9074 107.4643 64.4300 68.9874 175.8714 96 K 4.0424 8.1033 122.2665 59.0312 32.2013 179.3430 97 A 4.1500 7.7415 120.2060 52.2305 18.5439 179.2538 *99 K 4.0685 8.0543 123.8128 58.1415 34.4161 177.7548 100 I 3.6523 7.7772 119.4552 64.2873 36.7322 178.0294 101 L 3.9086 7.7738 119.7932 58.3344 41.9948 178.5521 102 E 4.0810 7.9996 116.5244 59.3142 29.5808 178.8962 103 K 4.1793 7.8665 116.4139 57.7794 32.3865 177.3771 104 L 4.2296 7.4033 124.8312 55.4212 42.1493 176.1469 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 8 G 8.45 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 9 E 8.68 3.90 0.00 1.99 1.97 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 2.32 1.94 0.00 10 G 8.56 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 *12 K 8.02 4.17 0.00 1.72 1.87 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 13 V 7.62 3.69 2.10 0.00 0.00 0.00 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 0.97 0.00 0.00 14 V 7.78 3.75 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 1.01 0.00 0.00 1.16 0.00 0.00 15 A 7.89 3.50 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.59 3.91 1.27 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 0.00 0.00 0.00 17 A 8.01 4.07 0.50 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 0.00 0.00 18 Y 7.96 4.94 0.00 3.09 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.38 0.00 2.32 2.34 0.00 3.77 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 2.12 2.07 0.00 20 D 8.15 4.37 0.00 2.77 2.79 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 0.00 0.00 0.00 21 L 8.00 3.98 0.00 1.80 1.97 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.45 4.10 0.00 3.16 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 23 D 8.49 4.14 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 24 I 7.84 3.69 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.03 0.96 0.00 0.00 25 I 7.83 3.61 1.92 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 1.40 0.65 0.88 0.00 0.00 26 V 7.48 3.43 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 1.01 0.00 0.00 0.24 0.00 0.00 27 K 7.95 3.90 0.00 1.92 1.80 0.00 1.71 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.61 7.81 28 L 8.51 3.86 0.00 1.75 1.83 0.87 0.74 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 29 N 8.32 4.26 0.00 2.96 3.00 0.00 0.00 7.32 9.00 0.00 0.00 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 D 8.06 4.39 0.00 2.79 2.70 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 31 T 8.22 4.04 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 32 V 7.91 3.48 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 0.02 0.00 0.00 0.77 0.00 0.00 33 F 7.57 5.72 0.00 3.14 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 34 T 7.40 4.50 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 35 G 8.02 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 36 K 8.58 4.20 0.00 1.77 1.89 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.40 7.81 37 T 7.80 4.45 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 38 L 7.80 4.19 0.00 1.68 1.64 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.40 4.79 0.00 3.01 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 40 Y 8.49 4.36 0.00 3.02 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 41 K 8.05 3.51 0.00 1.78 1.90 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.43 7.81 42 T 8.45 3.83 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 1.23 0.00 0.00 43 Q 8.10 4.13 0.00 2.63 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 44 K 8.21 3.97 0.00 1.14 1.38 0.00 1.54 0.00 0.00 1.43 0.00 0.00 2.21 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.88 1.27 7.81 45 L 8.02 3.98 0.00 1.88 1.69 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.97 3.71 2.09 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 1.47 0.74 0.94 0.00 0.00 47 A 8.29 4.05 1.61 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 0.00 0.00 48 I 7.96 3.76 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.91 0.00 0.00 49 G 7.90 3.65 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 0.00 0.00 0.00 50 I 7.96 3.90 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.05 0.92 0.00 0.00 51 V 7.96 3.69 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.04 0.00 0.00 52 A 8.28 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.74 4.35 0.00 4.08 4.14 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 54 R 7.66 4.71 0.00 1.93 1.91 0.00 3.15 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 55 C 8.42 4.37 0.00 2.96 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 56 D 7.94 4.63 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 4.02 0.00 2.01 1.95 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 2.32 1.94 0.00 58 V 8.01 3.76 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 1.05 0.00 0.00 0.94 0.00 0.00 59 A 8.15 4.00 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 60 I 7.54 3.69 1.99 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 1.38 0.73 0.90 0.00 0.00 61 E 8.31 4.20 0.00 2.05 1.87 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 2.26 2.20 0.00 62 K 8.37 4.44 0.00 1.74 1.84 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.35 7.81 63 Q 8.26 4.48 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.36 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 *65 K 7.91 4.29 0.00 1.80 1.76 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 66 S 8.26 4.25 0.00 4.16 4.16 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 67 A 8.06 3.99 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 *69 K 8.09 4.22 0.00 2.10 1.92 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 70 E 8.87 4.15 0.00 2.03 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 0.00 2.37 2.38 0.00 71 L 7.96 4.56 0.00 1.82 1.56 0.32 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.22 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.02 4.02 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.51 0.92 0.00 0.00 74 T 8.55 4.47 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 75 K 8.42 3.98 0.00 1.81 1.89 0.00 1.66 0.00 0.00 1.92 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.49 7.81 76 E 8.14 4.08 0.00 2.20 2.21 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 2.36 2.40 0.00 77 E 8.11 3.96 0.00 2.22 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 2.32 2.34 0.00 78 I 7.85 3.71 1.98 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 1.43 0.71 0.89 0.00 0.00 79 A 8.49 4.03 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 80 D 8.21 4.35 0.00 2.93 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 81 V 7.58 3.48 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 1.11 0.00 0.00 1.01 0.00 0.00 82 L 8.14 4.18 0.00 2.01 1.84 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.27 3.91 0.00 2.07 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 84 V 7.41 3.62 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 1.00 0.00 0.00 1.00 0.00 0.00 85 V 7.74 3.61 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.05 0.00 0.00 86 L 8.17 4.10 0.00 1.33 1.65 0.70 -0.12 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 87 L 7.50 3.90 0.00 1.64 1.81 0.89 0.93 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 88 T 7.93 4.25 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 1.26 0.00 0.00 89 S 8.39 4.65 0.00 3.99 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 90 G 7.75 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 0.00 0.00 0.00 *92 P 0.00 4.30 0.00 2.24 2.16 0.00 3.64 0.00 0.00 3.80 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 93 A 8.00 4.01 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 94 F 7.97 4.10 0.00 3.03 3.12 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 95 T 7.91 3.80 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 1.37 0.00 0.00 96 K 8.10 4.04 0.00 1.91 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.44 7.81 97 A 7.74 4.15 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 *99 K 8.05 4.07 0.00 1.95 1.94 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.04 7.81 100 I 7.78 3.65 1.96 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 1.38 0.85 0.89 0.00 0.00 101 L 7.77 3.91 0.00 1.63 1.63 0.90 1.25 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 0.00 102 E 8.00 4.08 0.00 2.09 1.97 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 2.28 2.35 0.00 103 K 7.87 4.18 0.00 1.98 1.84 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.46 1.31 7.81 104 L 7.40 4.23 0.00 1.89 1.58 0.91 0.99 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 * Residues marked with a * may have inaccurate shift predictions.