NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4095 8.4345 117.0990 58.5706 64.0420 172.8549 *0 H 4.3888 7.7838 115.3923 56.4307 30.0302 168.7117 1 M 4.7167 7.7855 116.3818 53.4368 34.2681 176.9408 2 S 4.3099 8.7598 118.6880 60.1662 63.5922 173.5799 3 L 5.1199 7.6739 119.8381 53.3964 45.2787 175.0860 4 A 4.5647 9.4081 128.7681 50.8454 20.8331 175.9279 5 I 4.1994 8.3796 123.4888 59.4667 39.0564 174.2686 6 D 4.6441 8.8501 128.0725 53.1732 42.1368 174.7699 7 L 5.0759 8.4698 126.5544 53.0307 43.6160 175.6970 8 E 4.6343 9.3735 125.1463 54.2472 32.8794 174.3506 9 V 4.5868 8.5475 126.6801 61.2176 33.3249 174.9306 10 K 4.1695 9.0264 131.0492 55.6125 32.4509 175.2644 11 Q 3.0052 9.0713 119.5258 57.4301 25.1929 174.7377 12 D 4.7022 8.2791 120.8250 53.6505 40.6469 173.0612 13 V 4.8878 7.9876 118.1787 61.5486 34.8158 173.6937 14 L 5.0825 9.1021 130.0980 53.4826 44.3582 174.7873 15 I 4.8205 9.3166 128.7157 59.7743 39.3555 174.8419 16 V 4.7324 9.0666 128.5848 61.2860 33.6529 174.4543 17 R 4.9846 8.9363 128.1168 54.6021 32.0895 175.3026 18 L 5.1323 8.5990 124.5550 53.3796 43.9616 176.4143 19 S 5.2382 8.5464 116.3746 56.8848 65.5466 170.7748 20 G 4.1511 8.8041 112.8978 44.4896 0.0000 171.7211 21 E 5.1433 8.8075 123.3437 54.7950 31.8840 176.2234 22 L 4.7288 9.2508 126.8771 53.3131 43.7803 174.3389 23 D 6.3000 8.1718 125.3718 50.2652 43.0540 175.5732 24 H 4.1054 9.2889 116.5293 60.2671 28.0590 176.1141 25 H 4.0023 8.3412 118.9715 59.9137 29.6699 176.8547 26 T 4.0136 8.9743 114.6566 64.8431 67.0887 175.6332 27 A 3.9723 8.6352 123.1953 55.4174 18.3855 179.0844 28 E 3.8704 7.8707 116.5040 59.7531 29.6160 179.5284 29 E 3.8718 7.5660 116.7169 59.1919 29.6686 178.3890 30 L 3.9087 7.6730 119.7069 58.2439 42.1633 178.5212 31 R 3.8906 8.0748 118.5033 59.7394 29.7274 177.8991 32 E 3.9395 8.2704 117.9377 59.9111 29.0193 179.6833 33 Q 4.0120 8.2256 117.6923 58.6279 28.5936 179.0645 34 V 3.6084 8.0752 119.8667 66.2732 31.3181 178.2937 35 T 3.8480 7.8978 109.3657 64.6696 68.2495 175.7117 36 D 4.3524 7.8408 121.2499 57.1872 41.2663 178.3043 37 V 3.6511 7.4477 117.8865 65.7756 31.4347 177.8850 38 L 4.1327 8.0724 117.3797 56.8160 41.4096 178.3671 39 E 4.3878 7.4778 116.5127 58.3435 30.4846 177.6825 40 N 4.5947 7.8130 114.1687 54.4220 38.7975 174.9582 41 R 4.6284 7.3293 117.4847 54.8032 34.4931 175.3275 42 A 4.5071 8.1681 123.4630 50.9119 17.8815 176.4519 43 I 4.2135 7.6216 121.1347 60.7137 38.7266 176.0199 44 R 4.5905 8.4715 120.5182 55.9261 32.4502 174.3358 45 H 5.5427 8.0405 114.9467 54.4996 33.3199 172.2086 46 I 5.0940 9.0628 123.0052 59.4902 41.0866 174.3849 47 V 4.7828 9.0113 126.9285 60.9623 34.1586 173.8151 48 L 5.0382 8.8183 130.2435 53.4798 44.2418 174.6987 49 N 5.0761 9.6082 127.6374 52.1986 39.9689 174.7844 50 L 4.8133 8.6658 126.9711 54.5246 42.2926 179.2679 51 G 3.6939 8.3953 109.8189 48.9746 0.0000 175.9586 52 Q 4.4794 7.8953 118.7973 55.6529 29.9595 174.9655 53 L 4.7365 7.5180 122.6419 54.3598 41.9419 176.3454 54 T 4.1947 8.9065 125.3001 66.2857 69.1229 175.0380 55 F 4.9625 7.9490 121.2882 57.1433 43.3646 172.9442 56 M 5.1305 7.0153 121.3079 55.1350 35.2777 172.9493 57 D 4.7764 7.9161 123.6847 50.6750 43.2890 175.6140 58 A 3.9025 8.7897 118.7252 56.0866 18.0298 179.8813 59 S 4.2714 8.3045 112.7911 61.3487 62.8137 177.1453 60 G 3.4727 8.9041 109.8561 47.7476 0.0000 175.6060 61 L 4.1028 7.9568 121.7211 57.6055 41.5506 179.5698 62 G 3.7297 8.2642 105.5853 47.9531 0.0000 176.0349 63 V 3.7231 7.9287 122.1745 64.1025 31.1849 178.6327 64 I 3.7932 7.8742 120.5867 64.2799 37.1639 178.0618 65 L 4.2944 8.5583 121.2277 57.3942 41.7594 179.3295 66 G 3.5863 8.2374 106.1843 48.0991 0.0000 176.0131 67 R 3.9929 8.0319 121.4107 58.9057 29.9268 178.2948 68 Y 4.1219 8.1304 119.3228 60.6212 38.7523 177.9039 69 K 3.6197 8.0616 119.7448 59.6488 32.0934 178.0823 70 Q 3.9085 8.0679 118.4701 59.6081 29.0963 178.3942 71 I 3.8249 8.0933 119.6164 63.7812 37.9787 177.9169 72 K 4.1467 7.9845 121.1984 58.7939 31.5324 178.7241 73 N 4.4998 7.8427 112.0765 53.6445 38.0743 175.3412 74 V 4.3779 7.2993 119.4261 62.4857 32.3409 175.1446 75 G 3.9543 8.4162 103.4493 46.0847 0.0000 173.8178 76 G 4.2148 7.5885 104.9215 44.2182 0.0000 172.9081 77 Q 4.8007 8.7717 117.4858 54.0953 33.1467 174.4431 78 M 5.3426 8.5398 121.1822 53.8599 35.4184 174.9333 79 V 4.6070 8.9856 124.9473 61.2044 35.2114 174.0431 80 V 4.8943 9.0727 128.7023 61.9046 33.1716 174.3996 81 C 5.8314 9.1356 121.4212 55.7624 33.6893 173.3358 82 A 3.7779 8.7560 119.1863 53.2196 15.9665 177.9780 83 V 3.8817 7.8918 120.1698 63.8857 31.9085 176.5815 84 S 4.3344 8.3866 122.7192 57.5693 65.0653 173.0223 85 P 4.1507 0.0000 0.0000 65.7893 30.8142 178.7369 86 A 3.8648 7.7864 117.9721 55.1317 18.5941 179.4145 87 V 3.2837 7.4289 116.4135 65.8522 31.6111 177.8208 88 K 3.6558 7.9890 119.7169 59.7812 31.7329 178.3838 89 R 3.8766 8.0995 117.6947 59.2967 30.0221 178.2234 90 L 4.0452 7.7634 118.9238 57.5738 41.9223 178.8981 91 F 4.3283 7.8192 117.1109 61.0872 38.9213 176.7738 92 D 4.7610 8.1802 116.2192 55.5260 40.2966 177.0644 93 M 4.2981 8.2952 120.0107 56.9929 32.5558 176.5674 94 S 4.5625 8.2191 111.3991 56.9330 66.1404 175.2393 95 G 3.9099 9.0965 117.1034 48.7680 0.0000 174.8720 96 L 3.2512 7.8767 121.2222 57.7958 42.1279 178.1372 97 F 4.3985 8.3730 115.5078 57.8117 39.1805 177.0718 98 K 4.2008 8.7468 120.9373 57.6762 31.8905 178.0716 99 I 3.7461 6.9502 118.8076 62.8760 37.2646 175.9383 100 I 3.8847 6.8550 121.9363 59.4677 37.9466 175.5903 101 R 4.1098 8.4512 125.1849 56.0937 31.1532 175.5179 102 V 4.9815 8.4092 123.7546 61.1754 33.7195 174.3840 103 E 4.4637 9.2749 126.7550 55.2226 33.2110 175.7357 104 A 4.0678 8.9562 122.2582 54.5520 18.4291 180.2165 105 D 5.0375 8.3418 121.0291 51.1139 43.3481 176.7924 106 E 4.1641 8.8424 117.9519 59.7889 29.8357 179.1319 107 Q 3.9716 8.2535 117.1994 59.4526 28.3013 178.5123 108 F 4.1742 8.8313 118.9636 59.5189 38.8189 177.7776 109 A 4.0621 7.9676 120.2800 55.2338 18.5171 179.3621 110 L 4.0796 7.8806 117.0788 57.8664 41.7339 179.2922 111 Q 4.0823 7.9379 118.9394 59.1597 28.7633 178.2108 112 A 4.1416 8.0890 120.6905 54.4149 18.4743 178.7794 113 L 4.3091 7.7845 116.2836 54.7371 42.2625 176.9524 114 G 3.7575 7.9203 106.1283 46.8461 0.0000 174.0859 115 V 4.2145 7.3249 115.8522 61.6764 33.0372 174.8350 116 A 4.0821 7.6962 126.2936 53.7188 18.7893 176.0922 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 -1 S 8.43 4.41 0.00 3.65 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 *0 H 7.78 4.39 0.00 3.05 2.89 0.00 7.14 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.79 4.72 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.06 0.00 2 S 8.76 4.31 0.00 3.92 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 3 L 7.67 5.12 0.00 1.88 1.49 1.02 1.03 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 4 A 9.41 4.56 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 5 I 8.38 4.20 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 1.24 0.74 0.92 0.00 0.00 6 D 8.85 4.64 0.00 2.83 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 7 L 8.47 5.08 0.00 1.56 1.58 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 E 9.37 4.63 0.00 1.97 1.75 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 2.19 2.22 0.00 9 V 8.55 4.59 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 0.84 0.00 0.00 0.94 0.00 0.00 10 K 9.03 4.17 0.00 1.80 1.67 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.41 7.81 11 Q 9.07 3.01 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.61 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 12 D 8.28 4.70 0.00 2.87 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 13 V 7.99 4.89 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 0.90 0.00 0.00 0.97 0.00 0.00 14 L 9.10 5.08 0.00 1.76 1.51 0.99 0.81 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 15 I 9.32 4.82 1.89 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 1.13 0.59 0.93 0.00 0.00 16 V 9.07 4.73 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 0.99 0.00 0.00 0.95 0.00 0.00 17 R 8.94 4.98 0.00 1.79 1.83 0.00 3.17 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 18 L 8.60 5.13 0.00 1.53 1.59 0.94 0.68 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 19 S 8.55 5.24 0.00 3.89 3.66 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 20 G 8.80 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 0.00 0.00 0.00 0.00 21 E 8.81 5.14 0.00 1.94 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 2.35 2.26 0.00 22 L 9.25 4.73 0.00 1.69 1.60 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.17 6.30 0.00 2.97 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 24 H 9.29 4.11 0.00 3.25 3.42 0.00 5.71 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 25 H 8.34 4.00 0.00 3.24 3.50 0.00 5.92 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 26 T 8.97 4.01 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 1.42 0.00 0.00 27 A 8.64 3.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.87 3.87 0.00 1.99 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 2.35 2.41 0.00 29 E 7.57 3.87 0.00 1.99 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 2.29 2.36 0.00 30 L 7.67 3.91 0.00 1.82 1.86 0.94 1.07 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 31 R 8.07 3.89 0.00 1.94 2.08 0.00 3.19 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 1.65 1.73 0.00 32 E 8.27 3.94 0.00 2.32 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 2.34 2.47 0.00 33 Q 8.23 4.01 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 34 V 8.08 3.61 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 1.15 0.00 0.00 0.98 0.00 0.00 35 T 7.90 3.85 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 1.34 0.00 0.00 36 D 7.84 4.35 0.00 2.99 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 37 V 7.45 3.65 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 0.98 0.00 0.00 0.98 0.00 0.00 38 L 8.07 4.13 0.00 1.78 1.71 0.92 1.13 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 39 E 7.48 4.39 0.00 1.97 1.99 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 2.27 2.47 0.00 40 N 7.81 4.59 0.00 2.66 2.88 0.00 0.00 6.85 9.01 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 41 R 7.33 4.63 0.00 1.77 1.77 0.00 3.14 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 42 A 8.17 4.51 1.23 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 0.00 0.00 43 I 7.62 4.21 1.86 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 1.30 0.87 1.00 0.00 0.00 44 R 8.47 4.59 0.00 1.77 1.81 0.00 2.97 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.53 0.00 45 H 8.04 5.54 0.00 3.14 3.12 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.06 5.09 1.91 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 1.14 0.83 0.95 0.00 0.00 47 V 9.01 4.78 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 0.84 0.00 0.00 0.96 0.00 0.00 48 L 8.82 5.04 0.00 1.85 1.57 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 49 N 9.61 5.08 0.00 2.80 2.72 0.00 0.00 6.71 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 50 L 8.67 4.81 0.00 1.72 1.60 0.93 0.68 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 51 G 8.40 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 52 Q 7.90 4.48 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 53 L 7.52 4.74 0.00 1.67 1.59 0.97 1.32 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 54 T 8.91 4.19 4.34 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 0.00 0.00 0.00 1.28 0.00 0.00 55 F 7.95 4.96 0.00 3.07 2.82 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 56 M 7.02 5.13 0.00 1.66 1.59 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.12 0.00 57 D 7.92 4.78 0.00 2.71 2.73 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 0.00 0.00 0.00 58 A 8.79 3.90 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.30 4.27 0.00 4.16 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 60 G 8.90 3.47 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 0.00 0.00 0.00 61 L 7.96 4.10 0.00 1.79 1.44 0.60 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.26 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.93 3.72 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 0.91 0.00 0.00 0.97 0.00 0.00 64 I 7.87 3.79 2.22 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.72 1.01 0.00 0.00 65 L 8.56 4.29 0.00 2.09 2.05 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.24 3.59 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 0.00 0.00 0.00 67 R 8.03 3.99 0.00 2.11 2.07 0.00 3.22 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 68 Y 8.13 4.12 0.00 3.14 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 69 K 8.06 3.62 0.00 1.91 1.98 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 70 Q 8.07 3.91 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 71 I 8.09 3.82 2.00 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 1.45 0.87 0.00 0.00 72 K 7.98 4.15 0.00 1.63 1.56 0.00 1.54 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.84 0.21 7.81 73 N 7.84 4.50 0.00 2.64 2.80 0.00 0.00 6.74 7.27 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 74 V 7.30 4.38 2.16 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 0.74 0.00 0.00 0.90 0.00 0.00 75 G 8.42 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 76 G 7.59 4.21 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 0.00 77 Q 8.77 4.80 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 78 M 8.54 5.34 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 79 V 8.99 4.61 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 0.99 0.00 0.00 0.98 0.00 0.00 80 V 9.07 4.89 2.16 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 1.12 0.00 0.00 0.99 0.00 0.00 81 C 9.14 5.83 0.00 3.37 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 82 A 8.76 3.78 1.47 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 0.00 0.00 83 V 7.89 3.88 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 0.75 0.00 0.00 1.05 0.00 0.00 84 S 8.39 4.33 0.00 4.04 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 85 P 0.00 4.15 0.00 2.14 2.13 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 86 A 7.79 3.86 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.43 3.28 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 0.38 0.00 0.00 0.72 0.00 0.00 88 K 7.99 3.66 0.00 1.80 1.92 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.53 7.81 89 R 8.10 3.88 0.00 1.86 2.05 0.00 3.27 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 90 L 7.76 4.05 0.00 1.54 1.42 0.69 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.82 4.33 0.00 3.20 2.98 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 92 D 8.18 4.76 0.00 2.70 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 93 M 8.30 4.30 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 94 S 8.22 4.56 0.00 4.01 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 95 G 9.10 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 96 L 7.88 3.25 0.00 1.41 1.04 0.67 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.37 4.40 0.00 3.31 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 98 K 8.75 4.20 0.00 1.66 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.49 7.81 99 I 6.95 3.75 1.50 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.70 0.00 0.00 100 I 6.85 3.88 1.49 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.11 0.72 0.00 0.00 101 R 8.45 4.11 0.00 1.80 1.88 0.00 3.10 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 102 V 8.41 4.98 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 0.88 0.00 0.00 0.98 0.00 0.00 103 E 9.27 4.46 0.00 1.91 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 2.66 0.00 104 A 8.96 4.07 1.05 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 0.00 0.00 105 D 8.34 5.04 0.00 2.85 2.81 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 0.00 106 E 8.84 4.16 0.00 2.09 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 2.39 2.39 0.00 107 Q 8.25 3.97 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.91 2.13 0.00 108 F 8.83 4.17 0.00 3.20 3.29 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 0.00 109 A 7.97 4.06 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 0.00 110 L 7.88 4.08 0.00 1.83 1.70 0.91 0.79 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 0.00 111 Q 7.94 4.08 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 112 A 8.09 4.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.78 4.31 0.00 1.77 1.61 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.92 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 0.00 115 V 7.32 4.21 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 0.84 0.00 0.00 0.80 0.00 0.00 116 A 7.70 4.08 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 * Residues marked with a * may have inaccurate shift predictions.