NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2769 8.1593 110.9382 60.8450 70.0520 173.7846 4 P 4.3848 0.0000 0.0000 60.7334 33.1638 173.5156 5 K 4.1203 8.1898 119.7902 55.1870 33.5769 176.3306 6 P 4.5633 0.0000 0.0000 62.7747 32.1738 176.4977 7 R 4.5162 8.4679 119.0870 55.3214 32.2591 177.4020 8 I 3.0113 8.4219 123.0646 64.1667 37.8844 178.1376 9 L 4.1872 7.8722 119.2352 57.4125 41.7269 177.5764 10 P 4.2683 0.0000 0.0000 65.5760 31.1387 178.0430 11 W 4.1494 8.7575 128.4676 60.2206 30.6381 177.2396 12 L 3.5937 8.8786 120.9656 58.5402 41.3661 178.9141 13 V 3.4820 7.8995 117.7878 66.4232 31.2048 177.9897 14 S 4.0352 7.7367 112.3401 61.2891 62.0188 176.1500 15 Q 3.6877 7.2323 119.9128 58.3813 28.5906 178.2623 16 L 3.7244 7.6220 120.3183 57.6054 41.2865 179.0814 17 D 4.5563 8.0271 117.6562 57.6887 40.9443 178.8820 18 L 4.1373 8.1205 118.1456 55.3730 41.5769 177.6561 19 G 3.9687 7.2709 105.2406 46.6366 0.0000 174.3180 20 Q 4.1814 8.0881 117.5684 55.9559 29.7226 175.7699 21 L 4.5008 7.3901 119.2706 52.2894 43.0647 175.4375 22 E 4.0522 8.5869 125.3378 57.6103 29.9329 177.0096 23 G 3.8202 8.9784 114.1361 45.0824 0.0000 172.8089 24 V 4.4034 7.0499 119.3426 61.7238 32.3556 174.8088 25 A 4.4759 8.1316 126.6852 50.3809 22.9430 175.5155 26 W 5.1183 8.7979 120.8061 57.1660 29.7019 176.6343 27 V 4.4960 9.3741 120.9577 61.1858 32.1855 174.3634 28 N 5.1333 8.0441 119.8158 51.8517 40.5444 175.5226 29 K 4.1454 8.6561 118.6760 57.3754 31.9354 174.3110 30 S 4.2689 8.0025 110.8019 57.9433 63.8564 173.7276 31 R 3.5096 7.3060 118.1496 58.2040 27.4155 176.1849 32 T 5.0419 8.5327 105.1677 61.1268 71.2994 174.7715 33 R 5.4106 8.6225 123.0697 54.9741 33.5498 173.9426 34 F 5.6262 8.8789 118.9283 55.8916 41.4915 172.8563 35 R 5.3190 9.0228 116.0707 54.6201 32.6020 174.7901 36 I 4.9744 8.7526 121.2592 58.8103 40.7407 173.2662 37 P 4.8244 0.0000 0.0000 62.4570 31.9387 176.5609 38 W 5.2057 9.2675 134.6191 56.1908 30.0636 175.2034 39 K 4.2156 8.2506 120.3469 56.2350 32.9487 175.3886 40 H 4.4179 8.9104 126.0080 55.6422 30.4509 176.2296 41 G 3.7573 8.6309 115.6970 48.5389 0.0000 174.2961 42 L 4.1945 8.0155 117.7491 56.2427 42.0655 177.4271 43 R 4.0666 7.8483 119.2481 55.8008 30.7181 176.0188 44 Q 4.0913 9.0273 124.9131 59.4307 29.0056 178.1050 45 D 4.4053 8.1566 113.6749 54.6697 39.2978 176.1743 46 A 4.2945 7.6297 123.3937 51.9995 20.3710 180.1112 *52 G 3.8254 7.9504 108.3807 44.8470 0.0000 175.9911 53 I 3.6118 8.2583 126.3807 63.7033 37.4060 176.4036 54 F 4.2421 7.1635 118.0944 60.6669 38.8298 176.9087 55 Q 2.5200 8.3896 118.2633 58.9593 28.6027 178.4092 56 A 4.0704 7.6018 121.2755 54.7618 18.2598 179.4433 57 W 3.2612 8.4800 126.9347 60.0562 30.6947 178.1020 58 A 3.6730 7.6193 120.7950 55.0581 17.5670 179.5341 59 E 4.0657 8.4921 118.4652 58.9822 29.3416 179.1832 60 A 3.8884 8.0556 120.2201 54.9626 18.4232 178.8770 61 T 3.8422 6.8027 104.9131 61.2982 69.4238 175.9332 62 G 3.7761 7.5093 110.3848 45.3975 0.0000 174.4386 63 A 4.1239 7.0782 120.7557 54.0170 18.8171 177.3864 64 Y 4.9786 8.0158 117.4085 55.9571 42.0211 173.7093 65 V 3.9974 8.7299 126.8888 59.8932 33.7667 172.9593 66 P 4.0909 0.0000 0.0000 63.5664 31.1539 174.8765 67 G 4.1847 8.7019 120.4175 45.3715 0.0000 175.2102 68 R 4.0491 7.9197 119.3276 57.9727 29.9769 178.8497 69 D 5.1159 7.8183 119.1693 52.3783 43.0833 177.0413 70 K 4.2659 8.5808 124.2625 53.6224 32.2409 175.4950 71 P 4.2851 0.0000 0.0000 62.4823 32.3492 176.6263 72 D 4.2018 6.0500 117.4897 51.7262 42.5598 175.1510 73 L 3.2436 7.0406 125.4100 57.3606 42.4578 175.9909 74 P 4.0656 0.0000 0.0000 66.0316 31.1315 178.6420 75 T 3.9534 7.7472 114.3251 65.9535 68.4005 176.9997 76 W 4.4533 7.8101 120.5966 59.7645 29.1239 178.2388 77 K 2.4800 7.8388 119.3126 58.9175 31.4216 178.7791 78 R 3.9070 7.7771 118.9566 59.5457 29.9954 178.2903 79 N 4.4167 8.6116 116.6488 56.2201 38.5891 176.9223 80 F 3.9774 8.4252 122.0599 61.4090 39.4939 176.7443 81 R 4.1299 8.3886 118.0415 60.1256 29.6936 178.6314 82 S 4.1688 8.2744 113.1302 61.4216 63.2244 176.3155 83 A 4.1172 7.9968 123.6187 55.2059 18.1134 179.7598 84 L 3.9120 7.6892 117.3783 57.7356 41.3627 179.4384 85 N 4.4614 8.0421 115.8612 56.0978 38.4849 177.1414 86 R 4.2978 7.4278 117.3622 56.9501 30.0017 176.7060 87 K 4.2332 7.6889 121.6904 55.7476 32.2105 177.1404 88 E 4.0631 8.5496 120.6796 57.0393 30.4626 173.8816 89 G 4.6470 9.6688 109.1402 44.7860 0.0000 172.7786 90 L 5.1528 7.4965 119.7891 53.2489 44.9964 175.4157 91 R 4.7360 8.7110 124.3956 53.9033 34.2149 174.7813 92 L 3.5349 8.3239 123.8621 54.9554 41.6653 176.2463 93 A 4.2242 8.5415 129.8256 53.9024 19.9859 177.0940 94 E 4.3082 7.4156 113.5936 55.6195 33.2537 174.1761 95 D 4.6757 8.7121 127.2732 53.1344 41.0974 175.3676 96 R 4.5733 7.9963 126.9089 55.7561 30.5307 179.0767 97 S 4.3637 8.3297 115.3820 60.6106 63.0980 175.0671 98 K 4.1885 7.9143 120.7335 57.5254 32.4545 176.4084 99 D 4.4411 8.1758 117.8796 54.8425 40.9805 175.1696 100 P 4.4323 0.0000 0.0000 64.7723 31.9604 177.0977 101 H 4.5545 8.4260 119.7709 58.6317 30.4486 175.9508 102 D 4.8526 7.5836 117.2567 49.8877 40.2764 173.9179 103 P 5.0449 0.0000 0.0000 62.7465 32.9435 176.1689 104 H 5.5517 8.5210 118.1776 54.8821 32.2738 171.9504 105 K 4.9441 9.3249 117.3917 54.5429 36.5682 175.4756 106 I 4.9477 8.1024 121.5721 59.9992 40.1443 174.9410 107 Y 4.7009 8.3516 124.5195 56.1428 41.3480 174.3939 108 E 5.0837 8.6928 120.8852 54.7023 33.3156 174.2262 109 F 5.0584 9.6416 127.0939 57.4966 39.7858 175.2869 110 V 4.8018 9.1390 122.7904 60.3769 35.5595 175.4304 111 N 4.3116 8.5253 117.4911 53.7340 36.5501 174.3311 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 T 8.16 4.28 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 4 P 0.00 4.38 0.00 2.30 2.14 0.00 3.77 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 2.00 2.03 0.00 5 K 8.19 4.12 0.00 1.69 1.74 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 1.24 7.81 6 P 0.00 4.56 0.00 2.52 2.24 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 7 R 8.47 4.52 0.00 1.99 1.97 0.00 3.20 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 8 I 8.42 3.01 1.13 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.16 0.69 0.00 0.00 9 L 7.87 4.19 0.00 1.81 1.83 1.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.27 0.00 2.34 2.36 0.00 3.86 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 2.37 2.10 0.00 11 W 8.76 4.15 0.00 3.69 3.64 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 12 L 8.88 3.59 0.00 1.97 1.88 0.97 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.90 3.48 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 1.16 0.00 0.00 0.96 0.00 0.00 14 S 7.74 4.04 0.00 3.95 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 15 Q 7.23 3.69 0.00 1.56 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 16 L 7.62 3.72 0.00 1.10 0.44 -1.08 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.03 4.56 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.12 4.14 0.00 1.53 1.67 0.86 0.81 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 19 G 7.27 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 0.00 0.00 0.00 0.00 20 Q 8.09 4.18 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 21 L 7.39 4.50 0.00 1.60 1.46 0.87 0.70 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 22 E 8.59 4.05 0.00 1.89 1.83 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 2.27 2.30 0.00 23 G 8.98 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 0.00 0.00 0.00 24 V 7.05 4.40 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 0.56 0.00 0.00 0.77 0.00 0.00 25 A 8.13 4.48 1.24 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 0.00 0.00 0.00 26 W 8.80 5.12 0.00 3.27 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 27 V 9.37 4.50 2.18 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 0.84 0.00 0.00 1.01 0.00 0.00 28 N 8.04 5.13 0.00 2.88 3.02 0.00 0.00 6.35 7.20 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 29 K 8.66 4.15 0.00 1.80 1.76 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 0.99 7.81 30 S 8.00 4.27 0.00 3.92 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 0.00 31 R 7.31 3.51 0.00 1.26 0.66 0.00 2.21 0.00 0.00 2.96 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.34 0.00 32 T 8.53 5.04 4.64 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 1.29 0.00 0.00 33 R 8.62 5.41 0.00 2.13 1.93 0.00 3.33 0.00 0.00 3.44 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 34 F 8.88 5.63 0.00 3.16 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 35 R 9.02 5.32 0.00 1.99 2.12 0.00 2.67 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 36 I 8.75 4.97 2.56 0.00 0.00 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 1.67 1.70 0.89 0.00 0.00 37 P 0.00 4.82 0.00 1.81 1.98 0.00 3.50 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 2.01 2.06 0.00 38 W 9.27 5.21 0.00 3.65 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 39 K 8.25 4.22 0.00 1.81 1.75 0.00 1.86 0.00 0.00 1.97 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.48 7.81 40 H 8.91 4.42 0.00 3.28 3.18 0.00 5.74 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 41 G 8.63 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 0.00 0.00 0.00 42 L 8.02 4.19 0.00 1.75 1.77 0.97 0.92 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 43 R 7.85 4.07 0.00 2.03 1.90 0.00 3.22 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 44 Q 9.03 4.09 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 45 D 8.16 4.41 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.63 4.29 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 53 I 8.26 3.61 1.58 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.32 -0.07 0.00 0.00 54 F 7.16 4.24 0.00 3.24 3.02 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 0.00 0.00 0.00 55 Q 8.39 2.52 0.00 1.49 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.12 1.47 0.00 56 A 7.60 4.07 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 57 W 8.48 3.26 0.00 3.02 3.27 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 58 A 7.62 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.49 4.07 0.00 2.02 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 2.26 2.28 0.00 60 A 8.06 3.89 0.90 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 61 T 6.80 3.84 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 -0.60 0.00 0.00 62 G 7.51 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 0.00 0.00 0.00 63 A 7.08 4.12 1.24 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 0.00 0.00 0.00 64 Y 8.02 4.98 0.00 3.11 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 65 V 8.73 4.00 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 0.80 0.00 0.00 0.80 0.00 0.00 66 P 0.00 4.09 0.00 2.00 1.97 0.00 3.46 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.10 0.00 67 G 8.70 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 0.00 0.00 0.00 68 R 7.92 4.05 0.00 1.84 1.89 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 69 D 7.82 5.12 0.00 2.99 2.92 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 70 K 8.58 4.27 0.00 1.77 1.61 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.03 7.81 71 P 0.00 4.29 0.00 1.89 1.94 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 72 D 6.05 4.20 0.00 2.39 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 0.00 0.00 0.00 73 L 7.04 3.24 0.00 1.52 1.42 1.27 0.95 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 74 P 0.00 4.07 0.00 2.02 1.97 0.00 3.49 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 75 T 7.75 3.95 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 1.25 0.00 0.00 76 W 7.81 4.45 0.00 3.44 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 77 K 7.84 2.48 0.00 0.79 1.48 0.00 1.35 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.02 0.21 7.81 78 R 7.78 3.91 0.00 2.05 2.07 0.00 3.16 0.00 0.00 3.16 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 79 N 8.61 4.42 0.00 3.11 3.08 0.00 0.00 6.68 7.85 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 80 F 8.43 3.98 0.00 3.47 3.28 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 81 R 8.39 4.13 0.00 2.49 2.27 0.00 3.27 0.00 0.00 3.49 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.00 0.00 82 S 8.27 4.17 0.00 3.91 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 83 A 8.00 4.12 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 84 L 7.69 3.91 0.00 1.74 1.52 0.14 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.04 4.46 0.00 2.89 2.90 0.00 0.00 7.06 7.26 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 86 R 7.43 4.30 0.00 2.03 2.00 0.00 3.33 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 87 K 7.69 4.23 0.00 1.89 1.80 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.51 7.81 88 E 8.55 4.06 0.00 1.99 1.74 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 2.23 1.88 0.00 89 G 9.67 4.65 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 90 L 7.50 5.15 0.00 1.58 1.50 0.20 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.71 4.74 0.00 1.71 1.69 0.00 3.15 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 92 L 8.32 3.53 0.00 1.31 1.31 0.61 0.29 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 93 A 8.54 4.22 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 94 E 7.42 4.31 0.00 1.88 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 2.16 2.17 0.00 95 D 8.71 4.68 0.00 2.42 2.43 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 96 R 8.00 4.57 0.00 1.68 1.86 0.00 3.09 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 97 S 8.33 4.36 0.00 4.22 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 98 K 7.91 4.19 0.00 1.76 1.87 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.46 7.81 99 D 8.18 4.44 0.00 2.85 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 0.00 100 P 0.00 4.43 0.00 2.07 2.13 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 101 H 8.43 4.55 0.00 3.12 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.58 4.85 0.00 2.68 2.40 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 0.00 103 P 0.00 5.04 0.00 2.38 2.50 0.00 3.96 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 104 H 8.52 5.55 0.00 3.47 3.50 0.00 5.39 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.32 4.94 0.00 1.45 1.18 0.00 0.61 0.00 0.00 0.72 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 0.60 7.81 106 I 8.10 4.95 1.74 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.10 0.90 0.00 0.00 107 Y 8.35 4.70 0.00 1.43 2.29 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 0.00 108 E 8.69 5.08 0.00 1.94 1.70 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 2.28 2.35 0.00 109 F 9.64 5.06 0.00 3.14 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 0.00 110 V 9.14 4.80 2.14 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 0.82 0.00 0.00 0.97 0.00 0.00 111 N 8.53 4.31 0.00 2.83 2.82 0.00 0.00 5.91 7.56 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 * Residues marked with a * may have inaccurate shift predictions.