NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.1716 8.2993 121.7697 55.7072 33.0621 176.7016 4 V 4.4612 8.6098 119.8491 58.9288 35.0319 173.1694 5 C 4.7903 8.9783 119.2897 58.0071 35.1268 176.6170 6 E 4.0058 8.7466 126.6252 59.2822 29.2707 178.2698 7 I 3.9619 7.6297 118.3183 63.5688 38.6442 176.8341 8 S 4.1012 7.9185 114.1162 59.9999 63.3911 175.3723 9 G 4.3418 8.2194 106.9957 44.9283 0.0000 173.7719 10 K 4.0955 7.5539 119.2915 56.0723 30.4948 177.0780 11 R 4.3641 8.0497 123.3055 53.8159 31.9741 174.8544 12 P 5.5229 0.0000 0.0000 61.5590 31.5332 175.4403 13 I 3.9870 8.1879 120.1553 60.0318 39.0550 175.7138 14 V 4.8776 8.7784 127.9395 61.8593 29.0768 176.3713 15 A 4.8377 8.1258 135.0000 50.8235 18.0503 180.1480 16 N 4.6353 8.5065 121.1990 55.9914 42.7210 170.7990 17 S 4.6539 8.3697 112.7927 58.5541 67.3617 173.6767 18 I 4.3963 7.8917 118.7941 61.0794 41.0327 174.8273 19 Q 4.5821 8.3721 123.4192 54.6887 32.4929 173.9937 20 R 5.1068 8.8186 119.8612 53.6038 33.0505 175.5143 21 R 4.4748 8.5019 116.8178 54.9911 30.7320 174.0094 22 G 4.0831 8.1435 112.6096 44.6801 0.0000 170.7852 23 K 4.1478 8.4478 119.4446 55.2021 32.8905 177.4390 24 A 4.1086 8.4762 127.0731 51.7145 18.9739 177.9490 25 K 3.8471 8.8176 123.3552 59.4596 32.3653 178.3481 26 R 4.2123 7.9389 114.2363 59.0514 30.9801 178.2606 27 E 4.4091 7.6903 115.6509 54.8012 28.7075 178.7979 28 G 3.7399 8.7811 116.0098 49.4962 0.0000 172.0182 29 G 4.3181 9.7825 107.9045 42.8206 0.0000 175.9608 30 V 3.0669 9.9592 113.6810 63.7124 29.1793 173.0125 31 G 3.6491 7.6961 107.5448 46.4309 0.0000 171.8282 32 K 4.4833 8.2375 116.4079 54.2542 34.8670 176.1548 33 K 4.5735 8.4238 123.3758 55.9315 34.9601 176.2470 34 T 4.6624 8.2692 118.7108 62.9133 70.6100 174.8239 35 T 4.3524 8.1163 116.6827 58.5283 67.4043 173.6075 36 G 4.3642 7.9744 119.8223 45.7155 0.0000 173.8540 37 I 4.2024 7.0576 123.2777 61.6469 35.4318 174.8301 38 S 4.3282 8.1500 119.9712 57.7213 64.2379 173.7808 39 K 4.4741 8.6053 125.7696 55.3987 33.2265 175.5924 40 R 4.5814 8.1928 123.4539 54.8846 32.2456 172.7416 41 R 4.7914 8.1745 115.5791 54.9269 33.4332 175.1947 42 Q 4.1652 8.5706 123.7340 55.5002 29.9118 174.5318 43 Y 5.3743 8.2651 122.5138 55.8725 39.7579 173.7324 44 P 4.4710 0.0000 0.0000 62.1300 32.5148 175.4875 45 N 4.6112 8.7676 124.9285 54.1356 37.2649 173.0362 46 L 4.3670 7.7361 120.1616 54.5803 42.0219 177.0724 47 Q 4.7844 8.3181 120.2940 54.1796 33.2262 173.7855 48 K 4.7264 8.7125 121.3979 55.4952 34.1850 176.4299 49 V 4.5300 8.0925 128.2011 59.8401 34.0316 174.7916 50 R 4.9880 8.5798 122.4986 54.6221 32.5882 175.9964 51 V 4.1024 8.6334 116.1565 62.5384 35.8867 175.7174 52 R 2.9208 8.8125 117.1229 55.3860 30.6371 173.4592 53 V 3.2615 9.6172 127.6226 63.8156 33.3792 170.7439 54 A 3.8693 9.1522 133.5415 53.4239 16.9695 177.8011 55 G 4.1108 7.5996 111.1715 46.2480 0.0000 173.3497 56 Q 4.2942 7.6033 122.6810 58.3283 27.4360 175.2805 57 E 4.0368 6.5313 116.6997 53.5299 32.2733 175.1650 58 I 4.7761 8.1834 124.8059 59.7557 42.4081 174.5076 59 T 4.6434 8.1453 113.7850 61.9591 69.1521 173.1358 60 F 4.6529 8.8479 127.9994 56.4661 42.7603 174.3882 61 R 5.0490 9.4519 118.8691 54.9822 32.3945 175.4670 62 V 4.7773 7.9652 121.8000 59.1222 34.6869 175.1076 63 A 3.6885 8.8011 124.6633 51.9741 19.2162 176.7304 64 A 4.0078 9.4049 118.4418 55.4802 18.9737 178.6165 65 S 4.4449 7.6903 110.9876 58.5718 64.1031 174.8594 66 H 4.8315 8.1649 115.8588 55.4589 31.5412 175.8721 67 I 3.7071 7.7328 120.3471 63.8555 36.7474 175.8129 68 P 4.3987 0.0000 0.0000 66.3956 30.7737 177.8116 69 K 3.7598 7.9055 119.4234 58.9946 31.6305 178.1703 70 V 3.2887 7.6105 117.8228 66.5617 31.5235 177.3918 71 Y 4.1313 7.4298 115.9918 60.4387 38.6091 176.7798 72 E 4.5511 8.0173 121.4521 53.8877 26.5526 175.7858 73 L 4.5099 6.5978 115.9584 54.8460 45.1129 174.7970 74 V 4.1970 7.7674 117.8731 63.9744 34.0063 177.1633 75 E 3.9977 8.2052 121.9587 58.6315 29.6584 177.9020 76 R 4.6639 7.9594 116.2166 55.8474 29.5552 176.1184 77 A 4.6900 8.3296 121.7206 51.7740 20.7981 179.3604 78 K 4.1916 8.2182 114.0380 59.0189 33.3575 177.4420 79 G 4.0223 7.1276 108.2020 44.1976 0.0000 173.2303 80 L 4.3587 7.3072 117.8084 52.9031 45.2306 173.8734 81 K 3.8942 8.6793 125.3873 56.9658 31.7625 175.8365 82 L 4.8133 7.8501 125.3902 53.2154 44.4868 174.6629 83 E 4.3060 8.8367 127.7534 55.7160 37.4300 177.9083 84 G 3.6633 8.2745 111.6995 46.2788 0.0000 175.1793 85 L 4.5455 8.2363 130.2168 54.9484 41.8316 178.0836 86 S 4.8290 8.2323 109.7758 55.7924 62.9350 173.1013 87 P 4.4192 0.0000 0.0000 66.9253 30.7812 177.6837 88 K 3.8189 8.0848 117.9649 59.5298 31.9840 177.8622 89 E 4.1708 9.2389 118.4632 58.8629 29.7814 178.3602 90 I 3.8354 7.9569 119.4476 64.8931 37.1752 177.7619 91 K 3.7481 8.5078 113.2304 59.7194 32.2734 176.9218 92 K 4.2483 8.5093 120.7482 58.6904 33.2934 177.5351 93 E 4.5635 8.2212 119.2350 56.3822 29.5867 175.2929 94 L 4.4453 7.2149 118.0341 54.8400 43.8608 177.5360 95 L 3.3470 8.3054 128.7706 56.6107 40.2504 175.0567 *96 K 4.1330 7.6392 126.9421 54.9814 32.3453 177.5645 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 K 8.30 4.17 0.00 1.68 1.58 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.40 7.81 4 V 8.61 4.46 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 0.74 0.00 0.00 0.93 0.00 0.00 5 C 8.98 4.79 0.00 2.90 2.91 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 6 E 8.75 4.01 0.00 2.21 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 0.00 2.36 2.49 0.00 7 I 7.63 3.96 1.88 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 1.46 0.64 0.96 0.00 0.00 8 S 7.92 4.10 0.00 3.80 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.22 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 0.00 0.00 0.00 0.00 10 K 7.55 4.10 0.00 1.78 1.81 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.31 7.81 11 R 8.05 4.36 0.00 1.81 1.88 0.00 3.20 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 12 P 0.00 5.52 0.00 2.39 2.37 0.00 3.38 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.79 0.00 13 I 8.19 3.99 1.88 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 1.25 1.06 0.93 0.00 0.00 14 V 8.78 4.88 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 1.03 0.00 0.00 0.95 0.00 0.00 15 A 8.13 4.84 0.92 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 0.00 0.00 16 N 8.51 4.64 0.00 2.67 2.57 0.00 0.00 6.65 7.63 0.00 0.00 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 S 8.37 4.65 0.00 3.89 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 0.00 18 I 7.89 4.40 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.20 0.90 0.00 0.00 19 Q 8.37 4.58 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 20 R 8.82 5.11 0.00 1.81 1.92 0.00 2.58 0.00 0.00 3.93 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 21 R 8.50 4.47 0.00 1.76 1.93 0.00 3.07 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 22 G 8.14 4.08 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 0.00 0.00 0.00 23 K 8.45 4.15 0.00 1.77 1.91 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.43 7.81 24 A 8.48 4.11 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.82 3.85 0.00 1.72 1.88 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 26 R 7.94 4.21 0.00 1.96 2.03 0.00 3.10 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 27 E 7.69 4.41 0.00 1.96 1.26 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 2.32 2.38 0.00 28 G 8.78 3.74 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 0.00 0.00 0.00 29 G 9.78 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.96 3.07 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 0.69 0.00 0.00 0.93 0.00 0.00 31 G 7.70 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 32 K 8.24 4.48 0.00 1.70 1.70 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.63 7.81 33 K 8.42 4.57 0.00 1.79 1.92 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.40 7.81 34 T 8.27 4.66 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 1.28 0.00 0.00 35 T 8.12 4.35 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 1.26 0.00 0.00 36 G 7.97 4.36 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 0.00 37 I 7.06 4.20 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 1.40 0.45 0.95 0.00 0.00 38 S 8.15 4.33 0.00 3.86 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 39 K 8.61 4.47 0.00 1.76 1.75 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.48 7.81 40 R 8.19 4.58 0.00 1.89 1.95 0.00 2.85 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 41 R 8.17 4.79 0.00 1.51 1.93 0.00 3.42 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 42 Q 8.57 4.17 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 43 Y 8.27 5.37 0.00 2.82 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 44 P 0.00 4.47 0.00 2.20 2.10 0.00 3.90 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 2.00 2.12 0.00 45 N 8.77 4.61 0.00 2.86 2.82 0.00 0.00 7.21 6.66 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 46 L 7.74 4.37 0.00 1.65 1.57 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.32 4.78 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 48 K 8.71 4.73 0.00 1.69 1.68 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.48 7.81 49 V 8.09 4.53 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 0.96 0.00 0.00 50 R 8.58 4.99 0.00 1.71 1.99 0.00 3.19 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 51 V 8.63 4.10 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 0.53 0.00 0.00 0.79 0.00 0.00 52 R 8.81 2.92 0.00 1.88 1.69 0.00 3.46 0.00 0.00 3.28 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 53 V 9.62 3.26 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 0.97 0.00 0.00 0.93 0.00 0.00 54 A 9.15 3.87 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 55 G 7.60 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.60 4.29 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.40 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 57 E 6.53 4.04 0.00 1.96 1.80 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 2.31 2.34 0.00 58 I 8.18 4.78 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.32 1.27 0.00 0.00 59 T 8.15 4.64 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 60 F 8.85 4.65 0.00 2.87 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 61 R 9.45 5.05 0.00 1.80 1.83 0.00 3.36 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 62 V 7.97 4.78 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 0.78 0.00 0.00 1.01 0.00 0.00 63 A 8.80 3.69 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 64 A 9.40 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 4.44 0.00 4.01 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 66 H 8.16 4.83 0.00 3.15 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.73 3.71 1.97 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 1.65 1.10 0.95 0.00 0.00 68 P 0.00 4.40 0.00 2.28 2.38 0.00 3.75 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 2.22 2.07 0.00 69 K 7.91 3.76 0.00 1.89 2.16 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 70 V 7.61 3.29 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 0.31 0.00 0.00 0.71 0.00 0.00 71 Y 7.43 4.13 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.02 4.55 0.00 2.00 2.06 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 2.32 2.35 0.00 73 L 6.60 4.51 0.00 1.59 1.47 0.75 0.84 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 74 V 7.77 4.20 2.32 0.00 0.00 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 0.93 0.00 0.00 75 E 8.21 4.00 0.00 1.96 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 2.30 2.42 0.00 76 R 7.96 4.66 0.00 1.80 1.88 0.00 3.20 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 77 A 8.33 4.69 1.26 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 0.00 0.00 0.00 78 K 8.22 4.19 0.00 1.88 1.96 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.44 7.81 79 G 7.13 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 0.00 0.00 0.00 80 L 7.31 4.36 0.00 1.57 1.50 0.93 0.67 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 81 K 8.68 3.89 0.00 1.74 1.77 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.54 7.81 82 L 7.85 4.81 0.00 1.77 1.51 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.84 4.31 0.00 1.87 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 2.13 2.27 0.00 84 G 8.27 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 0.00 0.00 0.00 85 L 8.24 4.55 0.00 1.65 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.23 4.83 0.00 3.98 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 87 P 0.00 4.42 0.00 2.27 2.39 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 88 K 8.08 3.82 0.00 1.74 1.88 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.46 7.81 89 E 9.24 4.17 0.00 2.14 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 2.33 2.33 0.00 90 I 7.96 3.84 2.04 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 1.78 0.97 0.98 0.00 0.00 91 K 8.51 3.75 0.00 1.71 1.46 0.00 1.35 0.00 0.00 1.47 0.00 0.00 2.77 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.99 0.58 7.81 92 K 8.51 4.25 0.00 1.89 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.50 7.81 93 E 8.22 4.56 0.00 2.33 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 2.30 2.42 0.00 94 L 7.21 4.45 0.00 1.71 1.56 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.31 3.35 0.00 1.66 1.86 0.93 0.60 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 *96 K 7.64 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.