NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4648 8.1933 116.7923 57.9328 64.3826 176.2086 -1 N 3.8446 9.2898 130.6378 56.9122 38.5482 175.2060 0 A 4.1260 8.3041 119.1484 52.9292 18.8991 178.4890 0 E 4.1560 8.4841 115.5484 57.0292 29.6991 177.2890 3 R 4.0504 8.4970 118.1111 59.3000 30.0725 178.8127 4 H 4.3111 7.9836 115.6281 58.9859 28.8697 177.5022 5 Q 4.0244 8.1530 119.3921 59.4804 28.5578 178.5277 6 H 4.2877 8.1763 118.5776 58.9189 30.0829 176.9262 7 L 3.9995 8.1402 122.3705 57.8535 41.8584 178.6454 8 L 3.9330 7.9194 120.2891 58.2361 42.0495 178.5237 9 S 4.4197 8.0144 114.4075 61.0519 62.3038 176.2391 10 E 3.8880 8.2812 120.8299 59.5495 29.0253 179.0404 11 Y 3.7900 8.1289 116.7821 60.8174 37.8055 178.0710 12 Q 4.0426 8.5174 119.4046 59.0569 28.7569 178.7959 13 Q 4.0540 8.2073 118.9343 59.1270 28.7087 178.9302 14 I 3.5990 7.4861 120.2584 64.5061 37.1958 178.1569 15 L 3.9180 8.2104 121.1371 58.5831 41.8716 179.1843 16 T 4.1285 8.4508 117.1706 66.1491 68.1928 176.6570 17 L 4.0409 8.0280 119.8212 57.7223 41.7482 178.9240 18 S 4.1572 8.8913 113.2498 61.7032 62.4266 176.0188 19 E 4.1632 8.8387 121.2075 59.3330 28.6731 179.6292 20 Q 3.9098 8.2680 115.7868 56.9263 29.1533 178.3440 *22 L 4.1913 7.9159 124.2567 55.1230 44.0708 179.3135 23 V 3.6783 7.4104 111.2884 64.1032 31.3793 178.4505 24 L 3.7934 7.5156 117.7654 57.4815 41.3285 179.4588 25 A 2.8363 7.5180 120.0596 55.2774 18.2644 179.3905 26 T 3.7497 7.8019 113.0982 66.5839 68.5772 175.5162 27 E 4.3692 8.0162 117.6822 55.3005 29.7782 177.1436 28 G 3.4215 7.5160 107.0091 46.1912 0.0000 175.5178 29 N 4.5871 7.3340 119.9355 52.0510 35.4461 175.0828 30 W 4.1382 7.7970 125.7229 59.8613 29.7084 177.5648 31 D 4.4209 8.3857 116.5356 57.5152 40.1111 178.4801 32 A 4.5350 8.0875 122.1133 54.2712 18.3692 179.2611 33 L 3.8893 7.6990 118.9029 58.3989 42.2587 179.5820 34 V 3.8127 8.1586 112.5734 64.2955 31.2302 178.4163 35 D 4.4645 7.7230 118.5274 57.4040 40.7739 178.7371 36 L 4.1365 7.6261 117.8009 57.0869 41.4805 179.5349 37 E 4.1817 7.6260 117.8911 56.7777 29.3659 178.7097 *39 T 4.2794 8.1014 115.1211 63.3242 70.7294 175.6501 40 Y 4.0583 8.6242 122.0356 60.9071 38.8023 178.3661 41 L 3.9677 8.3088 119.5371 57.3837 41.6210 179.6816 42 K 3.9837 7.8708 118.2498 59.0689 32.1135 179.0445 43 A 3.8626 7.8689 121.1535 55.1132 18.2667 179.7312 44 V 3.2568 7.4598 116.7890 65.9332 31.3718 177.8478 45 E 3.8282 7.8006 118.3967 59.4361 29.3162 178.7478 46 S 4.0955 7.7893 113.7197 62.1658 63.3285 176.7585 47 T 3.9371 7.9467 117.9025 66.3968 68.1398 176.7044 48 A 3.9681 8.1002 122.8150 55.3378 18.4856 179.3050 49 N 4.3025 8.4185 115.0492 56.4926 38.6247 177.7028 50 I 3.7733 7.5574 121.0033 64.5349 36.9606 178.4167 51 T 3.8970 7.6547 115.4769 66.8502 68.5323 176.4648 52 I 3.8545 7.7352 121.1048 64.4759 36.9272 178.4062 53 S 4.3310 8.0329 114.9313 60.7453 62.7053 175.6128 54 S 4.6982 7.4965 116.2314 57.3905 62.8256 172.8448 55 C 4.6631 7.1530 123.0385 57.5457 32.3450 174.0981 56 S 4.1655 8.6560 121.5512 59.8474 63.3754 174.0182 57 S 4.4832 7.7987 116.7988 56.9232 61.7837 175.1700 58 L 4.4141 8.1163 132.1184 54.5703 41.0236 179.4047 *60 L 4.2612 8.0514 122.0644 55.2285 44.0854 178.3641 61 Q 4.0282 8.5166 118.0406 59.0747 28.3949 178.6362 62 D 4.3317 8.0408 119.6227 57.1414 40.8552 178.5763 63 L 3.9478 7.8189 120.2617 58.3263 42.2357 178.9590 64 L 4.0527 8.0808 118.8948 57.7534 41.4637 179.6700 65 R 4.0046 8.2392 118.3246 59.2055 30.0724 178.7042 66 E 3.9593 7.9377 119.2886 59.0904 29.5689 178.9722 67 K 4.0689 8.1843 118.6883 58.8289 32.0833 179.1746 68 L 3.8967 8.2614 121.3404 58.2452 42.0280 178.9507 69 R 3.8854 8.1665 118.4725 59.3395 29.8861 178.3585 70 A 3.9594 7.9105 120.0882 55.1035 18.3886 179.4812 71 I 3.6382 7.9208 118.5218 64.5827 37.2412 178.6281 72 L 3.9536 7.9744 119.3962 57.9678 41.4531 178.9257 73 D 4.4058 8.1664 118.9540 57.9428 40.7569 179.2000 74 N 4.3346 8.5765 116.7796 56.3057 38.5460 177.1853 75 E 3.9709 8.2591 119.9171 59.6783 29.5132 179.4512 76 I 3.7240 8.2332 119.8974 64.5182 37.1820 178.1679 77 E 3.9624 8.4988 120.4313 59.3184 29.5628 178.9806 78 I 3.7714 8.1768 120.3375 64.2560 37.2522 178.5754 79 K 4.0572 8.2700 119.2561 58.9504 31.7624 179.2341 80 R 4.0126 7.8076 119.0502 58.8337 30.3119 177.9762 81 L 3.9584 7.9899 118.8490 58.1018 41.6107 179.6865 82 L 3.9030 7.9032 118.0464 57.7775 41.6060 178.9384 83 Q 3.8602 7.8907 119.3214 59.3651 28.9023 178.9993 84 L 3.8899 7.8954 120.9181 58.3648 41.8545 179.0517 85 R 4.0469 7.8741 118.0432 59.2107 29.8468 178.3203 86 L 4.0392 8.4078 119.0217 56.8764 41.5245 178.4917 87 D 4.4398 7.6005 118.6117 56.3450 41.3546 178.7293 88 R 3.9270 8.3167 117.7791 58.7123 30.0325 178.2061 89 L 4.3528 7.4141 116.8290 57.3860 42.2915 177.9515 90 S 3.9251 7.9073 110.4976 62.4942 62.1849 175.3537 91 D 4.4084 8.3408 122.3503 57.3472 41.1934 176.6552 92 L 4.1360 7.1631 123.9789 55.2665 42.0108 176.3238 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 8.19 4.46 0.00 3.89 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 -1 N 9.29 3.84 0.00 2.81 2.87 0.00 0.00 6.71 6.65 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 A 8.30 4.13 1.14 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 0.00 0.00 0 E 8.48 4.16 0.00 1.60 1.73 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 2.29 2.28 0.00 3 R 8.50 4.05 0.00 1.82 2.01 0.00 3.14 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 1.66 1.91 0.00 4 H 7.98 4.31 0.00 3.18 3.32 0.00 5.65 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 5 Q 8.15 4.02 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 6 H 8.18 4.29 0.00 3.28 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.14 4.00 0.00 1.99 1.70 1.17 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.92 3.93 0.00 1.83 1.82 0.93 0.88 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 9 S 8.01 4.42 0.00 4.10 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 10 E 8.28 3.89 0.00 2.10 1.82 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 2.22 2.30 0.00 11 Y 8.13 3.79 0.00 3.13 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 12 Q 8.52 4.04 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 13 Q 8.21 4.05 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.70 0.00 14 I 7.49 3.60 1.70 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.88 0.73 0.00 0.00 15 L 8.21 3.92 0.00 1.88 1.91 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.45 4.13 4.48 0.00 0.00 0.00 0.00 0.00 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 17 L 8.03 4.04 0.00 2.00 1.95 1.02 1.22 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 18 S 8.89 4.16 0.00 4.08 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 19 E 8.84 4.16 0.00 2.16 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 2.33 2.43 0.00 20 Q 8.27 3.91 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.38 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 *22 L 7.92 4.19 0.00 1.69 1.65 0.88 0.96 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 23 V 7.41 3.68 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 0.78 0.00 0.00 0.91 0.00 0.00 24 L 7.52 3.79 0.00 1.56 1.71 0.86 0.77 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 25 A 7.52 2.84 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.80 3.75 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 1.16 0.00 0.00 27 E 8.02 4.37 0.00 1.77 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 2.45 2.30 0.00 28 G 7.52 3.42 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 0.00 29 N 7.33 4.59 0.00 2.69 2.58 0.00 0.00 7.19 8.12 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 30 W 7.80 4.14 0.00 3.43 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 31 D 8.39 4.42 0.00 2.70 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 32 A 8.09 4.54 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 33 L 7.70 3.89 0.00 1.65 1.88 0.85 1.69 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 34 V 8.16 3.81 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 1.03 0.00 0.00 1.01 0.00 0.00 35 D 7.72 4.46 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.63 4.14 0.00 1.72 1.74 0.90 0.79 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 37 E 7.63 4.18 0.00 2.18 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 2.36 2.27 0.00 *39 T 8.10 4.28 4.43 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 1.23 0.00 0.00 40 Y 8.62 4.06 0.00 3.00 3.15 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 0.00 0.00 0.00 0.00 41 L 8.31 3.97 0.00 2.04 1.72 1.04 0.71 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 42 K 7.87 3.98 0.00 1.96 1.82 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.45 7.81 43 A 7.87 3.86 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 44 V 7.46 3.26 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 0.92 0.00 0.00 0.39 0.00 0.00 45 E 7.80 3.83 0.00 2.17 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 2.28 2.32 0.00 46 S 7.79 4.10 0.00 4.10 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 47 T 7.95 3.94 4.15 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 0.00 0.00 0.00 0.93 0.00 0.00 48 A 8.10 3.97 1.35 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 0.00 0.00 0.00 49 N 8.42 4.30 0.00 2.90 2.91 0.00 0.00 7.08 8.34 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 50 I 7.56 3.77 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.24 0.96 0.00 0.00 51 T 7.65 3.90 4.33 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 1.23 0.00 0.00 52 I 7.74 3.85 2.00 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 1.64 1.38 0.91 0.00 0.00 53 S 8.03 4.33 0.00 4.04 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 54 S 7.50 4.70 0.00 4.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.15 4.66 0.00 2.88 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 56 S 8.66 4.17 0.00 4.02 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 57 S 7.80 4.48 0.00 3.87 3.81 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 0.00 0.00 0.00 58 L 8.12 4.41 0.00 1.75 1.66 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *60 L 8.05 4.26 0.00 1.75 1.88 0.92 0.80 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 61 Q 8.52 4.03 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 62 D 8.04 4.33 0.00 2.80 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 63 L 7.82 3.95 0.00 1.75 1.83 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.08 4.05 0.00 1.74 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.24 4.00 0.00 1.96 1.98 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 66 E 7.94 3.96 0.00 1.98 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 2.30 2.34 0.00 67 K 8.18 4.07 0.00 1.86 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.61 7.81 68 L 8.26 3.90 0.00 1.79 1.82 0.90 0.77 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 69 R 8.17 3.89 0.00 1.96 1.91 0.00 3.28 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 1.82 0.00 70 A 7.91 3.96 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 71 I 7.92 3.64 2.04 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 1.52 0.84 0.91 0.00 0.00 72 L 7.97 3.95 0.00 1.83 1.71 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.17 4.41 0.00 2.94 2.76 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 74 N 8.58 4.33 0.00 2.85 2.88 0.00 0.00 7.13 7.22 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 75 E 8.26 3.97 0.00 2.22 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 0.00 2.36 2.54 0.00 76 I 8.23 3.72 2.02 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 1.43 1.54 0.92 0.00 0.00 77 E 8.50 3.96 0.00 2.12 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 0.00 2.31 2.40 0.00 78 I 8.18 3.77 1.88 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 1.52 1.06 0.91 0.00 0.00 79 K 8.27 4.06 0.00 1.83 1.88 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.46 7.81 80 R 7.81 4.01 0.00 1.83 2.04 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 81 L 7.99 3.96 0.00 2.04 1.72 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.90 3.90 0.00 1.94 1.65 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.89 3.86 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 84 L 7.90 3.89 0.00 1.99 1.71 0.91 0.92 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 85 R 7.87 4.05 0.00 1.92 1.87 0.00 3.11 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 86 L 8.41 4.04 0.00 1.79 1.56 0.68 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.60 4.44 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.32 3.93 0.00 1.70 2.00 0.00 3.13 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 89 L 7.41 4.35 0.00 1.94 1.64 0.91 0.60 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 90 S 7.91 3.93 0.00 4.00 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 91 D 8.34 4.41 0.00 2.70 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 92 L 7.16 4.14 0.00 1.62 1.67 0.91 0.95 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 * Residues marked with a * may have inaccurate shift predictions.