NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4078 0.0000 0.0000 62.2305 32.3129 178.3671 6 K 3.7076 8.7749 113.2189 58.5087 31.9249 175.1021 7 E 3.8817 8.3224 119.2565 59.7175 29.9722 178.0880 8 M 3.9725 7.9887 117.5517 58.4868 32.3067 177.7377 9 L 3.8757 7.8639 120.4984 58.1027 42.2196 178.9573 10 R 3.8474 8.2642 118.6861 59.2903 30.1269 178.3008 11 A 3.9925 8.1994 120.7547 55.2873 18.3866 179.7150 12 Q 3.8772 8.2758 116.6842 59.3426 28.7275 179.0226 13 T 3.8154 8.4221 117.0992 66.4805 68.4636 176.2393 14 N 4.2594 8.4138 118.8617 56.5026 38.6523 177.4159 15 V 3.5825 7.5744 118.8881 66.1315 31.5009 178.1190 16 I 3.6616 7.7515 119.3263 64.3358 36.9612 178.3952 17 L 3.9985 8.0643 119.9062 57.9109 41.3977 179.6378 18 L 4.0458 8.0550 118.8183 57.8952 41.5454 179.4129 19 N 4.3320 8.2042 116.5117 56.0356 38.2255 177.5657 20 V 3.5744 7.8696 119.1444 66.1561 31.9660 177.7900 21 L 4.3953 7.9013 119.9329 57.1575 41.2208 179.1943 22 K 3.8283 8.1128 118.9087 59.9305 32.0913 178.4857 23 Q 4.2386 8.0863 116.7303 56.0958 28.7653 176.7653 24 G 4.3960 7.1807 112.6315 44.8765 0.0000 171.7061 25 D 4.7732 8.5117 121.8197 55.0277 41.6105 175.2240 26 N 5.4522 9.3579 119.4058 52.9177 43.2289 172.5146 27 Y 5.0964 8.4183 119.9421 55.2919 40.9901 176.5090 28 V 3.4783 8.9822 119.6581 66.7149 31.3990 177.4548 29 Y 4.0277 8.1987 118.3076 60.6640 38.5938 178.2012 30 G 3.1500 6.5592 105.7959 47.6475 0.0000 175.2997 31 I 3.5831 7.5292 122.6769 64.0517 37.1117 178.4311 32 I 3.4801 7.4668 120.3401 64.2060 36.9108 178.3180 33 K 3.6576 7.6208 120.1594 59.7269 31.9237 178.8721 34 Q 4.0879 8.0785 118.3239 58.7849 28.4167 178.9390 35 V 3.4947 7.9201 119.6007 65.6810 31.4989 177.9663 36 K 4.1771 7.9707 120.7883 59.0809 31.8973 178.5909 37 E 3.9166 8.2730 118.6104 59.3337 29.2251 178.8670 38 A 4.2291 8.1608 118.8633 53.3825 18.9044 178.5179 39 S 4.5702 7.4464 112.4535 57.5808 63.1526 174.6082 40 N 4.1695 8.2308 117.2133 54.5618 36.1228 175.2163 41 G 3.9121 8.5865 105.3704 45.8285 0.0000 175.0791 42 E 3.9798 7.8267 119.1897 58.7463 29.8919 177.0508 43 M 4.1243 8.0138 123.5822 54.7125 31.2720 174.7012 44 E 4.6394 8.1807 127.1903 54.0676 29.0672 175.7148 45 L 3.9492 7.9252 123.1875 54.4191 42.6908 177.0706 46 N 4.5673 8.3795 120.8834 52.3874 40.5382 175.2506 47 E 3.5607 8.7565 128.1690 59.5237 29.7329 178.7549 48 A 4.1661 7.9456 119.9969 55.5095 18.4454 179.5354 49 T 3.7256 7.7094 113.7017 66.6776 68.4974 176.5850 50 L 3.3542 7.3795 120.6873 57.8519 41.5224 179.2392 51 Y 4.2274 7.2783 116.4613 61.2014 37.5589 178.7989 52 T 3.8992 7.8872 116.7037 66.7277 68.5321 176.6389 53 I 3.7402 7.5518 121.4531 64.5669 37.1860 178.5249 54 F 4.4950 8.6906 119.0065 60.4838 38.5182 177.5705 55 K 4.0113 8.3622 119.2983 59.6069 32.0092 178.8754 56 R 3.9290 7.8358 118.8634 59.4593 29.9818 178.4287 57 L 4.0773 8.3540 119.4133 57.7835 41.5083 179.2905 58 E 4.4427 8.8661 119.0414 58.2895 29.4494 179.0645 59 K 4.0219 7.7451 120.3600 59.2529 32.3815 177.6372 60 D 4.7364 8.0773 116.2525 53.6711 40.8773 176.6619 61 G 3.9866 7.5105 107.2888 46.6860 0.0000 175.2109 62 I 4.2307 8.1795 123.9244 62.7971 38.4245 175.9284 63 I 5.2993 7.6455 113.5385 59.2416 41.6644 174.2215 64 S 4.9637 8.8480 116.7309 57.0495 66.9570 172.5317 65 S 4.9956 8.1914 113.6666 57.0659 66.0962 172.2335 66 Y 4.5685 7.7453 117.2764 55.9551 41.5301 173.2336 67 W 4.9953 8.9140 120.3712 56.2714 30.6678 176.1344 68 G 4.4317 9.2890 111.5721 44.4314 0.0000 172.2946 69 D 4.7277 8.9359 126.3762 54.0022 41.2079 176.2136 *74 G 3.7012 8.3273 112.6076 44.7779 0.0000 172.2403 75 R 4.1975 8.1890 118.1396 56.4459 30.8115 176.7212 76 R 4.5944 8.3934 119.3782 54.7161 32.8296 175.3625 77 K 4.1275 8.3606 123.0283 55.3781 32.9907 175.2023 78 Y 4.6039 8.1928 126.0482 56.8658 40.1570 174.4216 79 Y 4.9701 8.9984 120.6604 56.2379 41.2397 175.0194 80 R 5.0864 8.8594 118.0562 54.3643 33.6113 173.6926 81 L 4.6390 8.5249 123.3839 54.7874 43.0619 176.7206 82 T 4.2934 8.6988 117.2243 61.1578 70.4430 175.3429 83 E 4.0162 8.8290 120.0259 59.4767 29.3285 179.6255 84 I 3.8288 7.7864 119.7217 64.1880 37.2804 178.3398 85 G 3.6687 8.1867 106.6739 48.1979 0.0000 175.2511 86 H 4.1121 8.4516 119.1663 58.5589 28.7815 177.4467 87 E 3.9744 8.4297 121.0630 59.5204 29.3873 178.5870 88 N 4.4042 8.8417 116.7461 56.6681 38.5401 177.3589 89 M 4.1658 8.2120 120.2218 58.1410 32.0062 178.7646 90 R 3.9567 8.0103 118.7250 59.3932 30.3023 178.5356 91 L 4.0035 8.1543 118.5313 57.7756 41.5865 179.3235 92 A 4.1302 8.4206 120.9514 55.2448 18.3949 179.3643 93 F 4.1104 8.8253 119.5273 61.6330 39.3474 177.2421 94 E 4.0338 8.5022 118.4546 59.3537 29.3566 179.5433 95 S 4.0409 8.2349 114.3779 61.3562 63.1814 176.6598 96 W 4.1503 8.4879 123.1150 59.1275 28.7884 178.4823 97 S 3.9915 7.9615 113.4246 61.4141 61.9063 176.4793 98 R 3.9438 7.7661 120.8892 59.0044 29.7361 179.2097 99 V 3.5661 7.6316 118.0543 66.0687 31.4584 177.7213 100 D 4.4043 8.2368 118.6466 57.3568 40.6522 178.8176 101 K 3.9285 7.9561 119.5335 59.4218 32.1123 178.8934 102 I 3.6910 7.6404 119.7186 64.5452 37.0066 178.4445 103 I 3.6895 7.8759 120.5565 64.2944 36.9278 178.0404 104 E 3.9311 8.4715 120.3904 59.3754 29.2268 178.6834 105 N 4.3406 8.0539 115.2536 56.3764 38.7151 177.0995 106 L 4.1414 7.8990 119.2352 57.9273 41.7832 179.1931 107 E 4.0021 8.6107 117.7388 57.1839 30.3678 177.0587 108 A 3.7703 7.9245 120.5497 53.0995 16.7880 176.2575 109 N 4.5388 7.8909 121.9837 53.7896 38.7043 176.0323 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 5 P 0.00 4.41 0.00 2.22 2.10 0.00 3.75 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 1.96 1.99 0.00 6 K 8.77 3.71 0.00 1.89 1.88 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.54 7.81 7 E 8.32 3.88 0.00 2.07 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 2.39 2.44 0.00 8 M 7.99 3.97 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 9 L 7.86 3.88 0.00 1.86 1.78 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.26 3.85 0.00 1.97 2.01 0.00 3.14 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 1.61 0.00 11 A 8.20 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.88 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 13 T 8.42 3.82 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 1.08 0.00 0.00 14 N 8.41 4.26 0.00 2.97 2.89 0.00 0.00 6.67 7.23 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 15 V 7.57 3.58 2.15 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 0.96 0.00 0.00 0.87 0.00 0.00 16 I 7.75 3.66 1.94 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 1.48 0.62 0.86 0.00 0.00 17 L 8.06 4.00 0.00 1.86 1.88 0.67 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.06 4.05 0.00 1.85 1.73 0.96 0.51 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 19 N 8.20 4.33 0.00 3.02 2.86 0.00 0.00 6.63 7.71 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 20 V 7.87 3.57 2.22 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 0.83 0.00 0.00 0.95 0.00 0.00 21 L 7.90 4.40 0.00 1.75 1.72 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.11 3.83 0.00 1.83 2.04 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 23 Q 8.09 4.24 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 24 G 7.18 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 0.00 0.00 0.00 0.00 25 D 8.51 4.77 0.00 2.69 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 26 N 9.36 5.45 0.00 3.03 2.67 0.00 0.00 6.79 7.07 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 27 Y 8.42 5.10 0.00 2.95 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 0.00 0.00 0.00 0.00 28 V 8.98 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 0.78 0.00 0.00 0.92 0.00 0.00 29 Y 8.20 4.03 0.00 3.22 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 30 G 6.56 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 0.00 0.00 0.00 31 I 7.53 3.58 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 0.85 0.00 0.00 32 I 7.47 3.48 1.69 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 0.78 0.00 0.00 33 K 7.62 3.66 0.00 1.35 1.69 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.35 7.81 34 Q 8.08 4.09 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 35 V 7.92 3.49 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 0.92 0.00 0.00 0.92 0.00 0.00 36 K 7.97 4.18 0.00 1.84 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.28 7.81 37 E 8.27 3.92 0.00 2.15 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 2.30 2.38 0.00 38 A 8.16 4.23 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 39 S 7.45 4.57 0.00 3.97 4.10 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 40 N 8.23 4.17 0.00 2.86 2.97 0.00 0.00 7.01 7.54 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 41 G 8.59 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 0.00 0.00 0.00 42 E 7.83 3.98 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 2.29 2.36 0.00 43 M 8.01 4.12 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 44 E 8.18 4.64 0.00 1.92 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 2.17 2.25 0.00 45 L 7.93 3.95 0.00 1.47 1.43 0.78 0.96 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 46 N 8.38 4.57 0.00 2.76 2.59 0.00 0.00 6.80 7.65 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 47 E 8.76 3.56 0.00 2.00 1.93 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 2.41 2.15 0.00 48 A 7.95 4.17 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 T 7.71 3.73 4.28 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 1.10 0.00 0.00 50 L 7.38 3.35 0.00 1.11 0.43 0.64 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.28 4.23 0.00 3.15 2.93 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 52 T 7.89 3.90 4.38 0.00 0.00 0.00 0.00 0.00 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 53 I 7.55 3.74 1.76 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 1.48 0.73 0.95 0.00 0.00 54 F 8.69 4.49 0.00 3.01 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 55 K 8.36 4.01 0.00 2.06 2.05 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.52 7.81 56 R 7.84 3.93 0.00 1.93 2.11 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 57 L 8.35 4.08 0.00 1.82 1.75 1.07 1.19 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 58 E 8.87 4.44 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.24 0.00 59 K 7.75 4.02 0.00 1.83 2.08 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.50 7.81 60 D 8.08 4.74 0.00 2.74 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 61 G 7.51 3.99 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 0.00 0.00 0.00 62 I 8.18 4.23 2.00 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 1.44 0.88 0.93 0.00 0.00 63 I 7.65 5.30 1.90 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 0.86 0.00 0.00 64 S 8.85 4.96 0.00 3.88 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 65 S 8.19 5.00 0.00 2.97 2.75 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 66 Y 7.75 4.57 0.00 2.98 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 67 W 8.91 5.00 0.00 3.29 3.16 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 68 G 9.29 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 0.00 0.00 0.00 0.00 69 D 8.94 4.73 0.00 2.73 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 *74 G 8.33 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 75 R 8.19 4.20 0.00 1.69 2.20 0.00 3.00 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.53 0.00 76 R 8.39 4.59 0.00 1.31 1.13 0.00 2.21 0.00 0.00 2.77 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.12 0.00 77 K 8.36 4.13 0.00 1.31 1.56 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.92 0.74 7.81 78 Y 8.19 4.60 0.00 1.65 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 9.00 4.97 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.86 5.09 0.00 1.97 2.41 0.00 2.84 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 81 L 8.52 4.64 0.00 1.61 1.51 0.92 0.71 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 82 T 8.70 4.29 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 1.26 0.00 0.00 83 E 8.83 4.02 0.00 2.09 2.05 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 2.39 2.45 0.00 84 I 7.79 3.83 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.68 0.93 0.00 0.00 85 G 8.19 3.67 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 0.00 0.00 0.00 86 H 8.45 4.11 0.00 3.35 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.43 3.97 0.00 2.10 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 0.00 2.33 2.43 0.00 88 N 8.84 4.40 0.00 2.96 2.90 0.00 0.00 7.07 7.58 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 89 M 8.21 4.17 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.58 0.00 90 R 8.01 3.96 0.00 1.95 2.14 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 91 L 8.15 4.00 0.00 1.95 1.73 0.94 0.61 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 92 A 8.42 4.13 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 93 F 8.83 4.11 0.00 3.28 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 94 E 8.50 4.03 0.00 2.11 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 2.69 2.56 0.00 95 S 8.23 4.04 0.00 3.83 4.02 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 96 W 8.49 4.15 0.00 3.38 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 97 S 7.96 3.99 0.00 3.57 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 98 R 7.77 3.94 0.00 1.96 1.92 0.00 3.15 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 99 V 7.63 3.57 2.33 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 1.16 0.00 0.00 0.63 0.00 0.00 100 D 8.24 4.40 0.00 2.94 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 0.00 101 K 7.96 3.93 0.00 1.84 1.93 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 102 I 7.64 3.69 2.06 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 1.50 0.58 0.90 0.00 0.00 103 I 7.88 3.69 2.03 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 1.43 0.87 0.92 0.00 0.00 104 E 8.47 3.93 0.00 2.09 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 0.00 2.31 2.36 0.00 105 N 8.05 4.34 0.00 2.90 2.86 0.00 0.00 7.11 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.90 4.14 0.00 1.76 1.73 0.92 1.14 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 0.00 107 E 8.61 4.00 0.00 1.97 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 0.00 2.35 2.44 0.00 108 A 7.92 3.77 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 0.00 109 N 7.89 4.54 0.00 2.73 2.74 0.00 0.00 7.05 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.