NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4155 8.1933 115.2896 57.6147 63.9294 174.3804 3 K 3.6674 8.5855 124.9179 59.3505 31.8402 178.0505 4 L 3.9637 8.6965 120.0169 58.0048 42.0752 179.2072 5 Q 4.0485 8.0225 117.4459 59.0299 28.6838 178.7017 6 Q 4.0589 8.0831 119.2256 58.7893 28.6357 178.4850 7 I 3.7725 7.9500 121.0373 64.5449 37.3137 178.1752 8 L 4.0090 7.9588 119.5498 58.4302 41.4892 179.9042 9 T 3.9517 7.9089 115.0223 66.6043 68.2653 176.1913 10 Y 4.1556 8.2088 121.6351 60.7171 38.8346 178.0742 11 L 3.8041 8.3414 120.2404 57.5897 41.5607 179.1506 12 E 3.8795 8.0458 119.0808 59.4014 29.4540 179.1454 13 S 4.1797 7.9914 112.6556 60.5715 63.1995 175.1250 14 E 4.2302 7.7281 119.8464 54.6626 29.7721 175.7305 15 K 3.7780 7.5039 117.1087 57.3449 30.1536 175.4746 16 L 4.4645 7.6331 117.3970 53.9571 43.2707 177.1743 17 D 4.7609 8.9615 122.7312 56.7810 42.3287 176.7209 18 V 4.9184 7.5024 115.0527 60.5929 34.7204 172.4040 19 A 5.1889 9.0933 124.4849 50.2144 21.4711 175.5538 20 V 4.5391 9.0068 122.4810 61.1509 34.0735 174.4166 21 V 4.8287 8.8073 129.6145 61.5676 32.4366 176.1962 22 S 4.4741 9.4716 122.3639 58.3267 64.9985 174.2215 23 D 4.6599 8.2711 121.4215 52.8754 41.9932 174.8051 24 P 4.3085 0.0000 0.0000 65.5340 31.3212 178.8529 25 V 3.7385 8.2123 117.3565 66.3587 31.4703 178.2990 26 T 4.0604 7.9111 115.0777 66.5409 68.4024 176.5527 27 I 3.8113 8.2895 122.3214 64.5370 37.1378 177.9763 28 N 4.7397 8.4886 119.1889 56.3727 38.3930 176.0821 29 Y 4.2410 8.1696 121.0014 60.9317 38.6421 178.0883 30 L 4.0980 8.1434 118.2898 56.3003 42.0350 177.6585 31 T 4.5816 8.0204 106.0437 60.2846 70.2842 175.1635 32 G 3.9379 8.8220 110.1355 45.2013 0.0000 172.5323 33 F 4.8497 8.3085 122.8950 56.2491 40.6799 173.5958 34 Y 4.3234 7.7495 128.6312 55.4781 40.6760 174.3867 35 S 3.8110 6.8542 119.5962 56.5419 65.4749 172.6266 36 D 4.4017 7.9993 125.3987 51.9671 41.1314 174.2387 37 P 4.4925 0.0000 0.0000 62.6605 33.4103 178.1864 38 H 3.9224 8.0730 118.1569 57.4093 28.1712 177.0955 39 E 4.2592 9.2439 127.8550 58.3391 30.0993 176.8237 40 R 4.3288 7.8346 119.0011 55.8103 30.8620 175.8081 41 Q 4.1806 8.8742 119.8901 55.0761 30.3463 175.3683 *43 F 4.6160 8.0717 116.0302 57.5655 40.7881 174.0060 44 L 5.1519 8.7184 123.7956 53.5222 44.4621 174.9357 45 F 5.1959 9.4411 125.4668 55.8887 41.4324 174.6093 46 V 4.5503 8.9713 125.2938 61.3699 32.2826 174.3995 47 L 5.2105 8.3855 127.4457 52.8407 43.8999 177.4756 48 A 4.1778 8.5386 125.7961 55.0607 18.4000 178.4910 49 D 4.8389 8.0220 112.2650 54.2631 42.5582 175.5717 50 Q 4.6542 7.1833 116.4498 54.5080 31.2073 174.7315 51 E 4.1371 8.6231 116.3070 56.1318 30.0494 174.6751 52 P 4.6811 0.0000 0.0000 62.4584 32.7980 175.3459 53 L 5.1407 8.8622 121.9135 53.5904 45.3990 174.5231 54 L 5.2959 9.2698 128.6506 53.6185 44.0373 174.4713 55 F 5.4473 9.6445 129.4125 56.7367 41.1978 174.7981 56 V 4.6067 8.0771 118.0711 58.7565 36.6841 173.2455 57 P 3.9500 0.0000 0.0000 62.1829 32.0397 177.6340 58 A 3.7984 8.2221 123.5386 55.4124 17.9664 180.1802 59 L 3.9165 7.7337 117.0099 57.6527 42.3397 177.8977 60 E 4.3960 8.2388 117.1150 56.6736 29.7197 178.2255 61 V 3.3927 7.5531 119.9528 65.7582 31.7076 177.4815 62 E 3.8233 7.9531 118.6009 59.2422 29.3845 178.5639 63 R 3.8761 7.9012 118.0584 59.2914 30.1575 178.1461 64 A 2.9743 7.8622 120.7429 55.0130 18.0318 179.8350 65 S 3.8514 7.8756 112.6342 61.6731 62.8879 176.7811 66 S 4.2600 7.7157 116.4892 60.8319 62.6680 176.1265 67 T 4.2420 7.1453 117.5949 64.3024 68.9889 175.3627 68 V 4.2188 6.9684 112.2241 59.6352 33.7814 175.8593 69 S 4.4200 8.1260 114.5623 58.1101 63.6560 173.6890 70 F 4.9997 6.3017 116.0691 54.3454 40.3593 173.1385 71 P 4.5358 0.0000 0.0000 62.7144 32.2474 175.9658 72 V 5.0492 8.3217 122.4120 61.1351 34.3722 174.7369 73 V 4.4798 8.9860 126.5181 61.1471 34.8623 174.6692 74 G 4.9768 8.6699 113.8038 44.4306 0.0000 171.5660 75 Y 5.1816 7.7021 116.1215 55.4689 41.5798 175.3414 76 V 4.1773 9.1808 116.0024 60.1077 33.4102 177.0792 77 D 4.3610 8.5547 121.4348 57.2178 40.6913 177.9729 78 S 4.4516 7.9681 111.2333 58.8474 63.7201 173.8580 79 E 4.4863 8.2080 121.4664 55.4481 30.8775 175.5926 80 N 4.6978 8.4659 119.5385 52.1337 40.1543 174.2493 81 P 3.8407 0.0000 0.0000 65.3745 31.4315 178.5224 82 W 4.1773 7.1753 118.1859 59.7799 29.0143 178.3410 83 Q 3.8974 8.4351 117.9851 58.6523 28.1147 178.6691 84 K 4.0101 8.0891 120.8628 59.3545 32.2376 178.9567 85 I 3.2170 7.6601 120.5440 64.0807 36.7408 178.1781 86 K 3.6011 7.4524 118.9066 59.9191 32.0139 178.2139 87 H 4.4332 7.8111 115.0504 58.4693 28.6976 177.2527 88 A 4.2307 7.7809 121.9644 53.6218 18.5440 177.9535 89 L 4.2402 7.1338 116.7016 53.2760 42.5060 175.1364 90 P 4.4510 0.0000 0.0000 63.2591 32.2512 177.1263 91 Q 4.3353 8.3044 120.3705 54.7779 27.2694 174.8871 92 L 4.1829 6.9777 119.1475 52.8933 43.9440 176.9981 93 D 4.3674 7.9680 119.6584 53.5007 39.7978 175.8050 94 F 4.4523 8.4367 125.8665 56.4795 38.2964 175.7627 95 K 4.3011 8.6103 126.4621 58.1948 33.7282 177.4025 96 R 4.8834 8.5496 118.9540 54.4037 34.1212 174.7683 97 V 4.6824 8.4003 123.0997 60.7831 35.3102 173.8081 98 A 5.3135 8.5877 127.5238 50.3792 21.7752 175.8696 99 V 5.1027 8.8508 113.7009 58.2960 36.9722 175.4647 100 E 4.5244 8.8646 121.6867 55.6018 28.5023 177.8190 101 F 4.3856 9.0300 124.0038 60.4262 39.1591 176.6782 102 D 4.6503 7.9038 118.6234 55.2913 41.0466 176.2732 103 N 4.7520 7.8981 116.1858 54.3368 41.0684 174.2489 104 L 4.1623 8.0918 120.8857 54.7270 42.4273 177.0728 105 I 4.1590 8.2351 120.3160 60.3513 40.0780 176.7190 106 L 3.9234 8.3365 120.8807 58.1894 41.4520 179.7494 107 T 3.9160 8.0035 115.3241 66.8264 68.4231 176.5117 108 K 4.3214 8.1166 119.7640 59.4301 32.1667 178.6937 109 Y 4.0176 8.2017 120.0174 61.0585 38.5010 177.8196 110 H 3.8860 8.0772 116.4126 58.5622 29.0316 177.7418 111 G 2.0000 7.2881 107.4661 46.9504 0.0000 175.8599 112 L 3.8792 7.6786 121.7631 57.1654 41.4785 179.6338 113 K 4.3658 7.9211 118.7951 59.0134 31.6064 179.1243 114 T 3.8739 7.1476 109.4149 63.9068 68.8479 176.7602 115 V 3.5844 7.1731 120.2357 64.1053 32.4839 176.0971 116 F 4.8078 7.9083 120.0071 55.5006 38.2047 175.7949 117 E 4.4931 8.7153 123.5902 57.9827 29.8464 177.9914 118 T 4.6190 7.8084 106.7751 61.0114 69.3862 173.5177 119 A 4.5871 7.6524 122.5393 52.2072 19.4710 178.0560 120 E 4.4636 8.8717 118.7290 55.9441 31.7855 175.5280 121 F 5.2660 9.0328 120.3615 56.2968 40.7158 175.3237 122 D 4.8744 9.0948 124.5368 53.3480 43.3048 174.8348 123 N 4.4124 8.0690 118.5351 52.3028 39.1874 175.0733 124 L 4.2848 9.2465 128.2294 57.2194 42.3240 178.6101 125 T 3.8476 8.1575 116.2281 66.4404 68.3979 174.5893 126 P 4.4662 0.0000 0.0000 64.7754 31.1332 178.6323 127 R 3.6982 7.7250 116.6180 59.4038 30.0128 178.2093 128 I 3.8705 7.2081 118.7839 64.3239 37.0544 177.9875 129 Q 4.0788 8.2021 119.1489 58.6454 28.6475 178.8768 130 R 3.8926 7.9792 120.0076 56.5337 28.9343 178.1183 *132 R 4.4469 7.9602 116.2479 55.5602 32.1526 177.9295 133 L 4.1452 7.7571 117.1831 56.5145 41.7622 176.9961 134 I 4.3442 7.0221 119.0107 59.2701 38.4127 175.5296 135 K 4.1830 8.6371 125.6502 56.5365 32.0587 176.0557 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 4.42 0.00 3.88 3.94 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 0.00 0.00 0.00 3 K 8.59 3.67 0.00 1.73 1.65 0.00 1.27 0.00 0.00 0.65 0.00 0.00 2.65 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.43 7.81 4 L 8.70 3.96 0.00 1.66 1.66 0.90 0.80 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 5 Q 8.02 4.05 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 6 Q 8.08 4.06 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 7 I 7.95 3.77 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.99 0.99 0.00 0.00 8 L 7.96 4.01 0.00 1.93 1.75 0.92 0.77 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 9 T 7.91 3.95 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 1.24 0.00 0.00 10 Y 8.21 4.16 0.00 3.10 3.24 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 11 L 8.34 3.80 0.00 1.85 1.86 1.03 1.11 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 12 E 8.05 3.88 0.00 2.10 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 2.30 2.34 0.00 13 S 7.99 4.18 0.00 4.03 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 14 E 7.73 4.23 0.00 1.50 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 1.65 1.47 0.00 15 K 7.50 3.78 0.00 1.79 1.83 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.32 7.81 16 L 7.63 4.46 0.00 1.53 1.52 0.74 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.96 4.76 0.00 2.79 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 18 V 7.50 4.92 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 0.21 0.00 0.00 1.08 0.00 0.00 19 A 9.09 5.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.01 4.54 2.17 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 0.77 0.00 0.00 1.07 0.00 0.00 21 V 8.81 4.83 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 1.15 0.00 0.00 0.98 0.00 0.00 22 S 9.47 4.47 0.00 4.07 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 0.00 23 D 8.27 4.66 0.00 2.81 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 24 P 0.00 4.31 0.00 2.16 1.99 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 25 V 8.21 3.74 2.28 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 1.05 0.00 0.00 1.03 0.00 0.00 26 T 7.91 4.06 4.42 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 1.34 0.00 0.00 27 I 8.29 3.81 2.10 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 1.50 1.14 1.11 0.00 0.00 28 N 8.49 4.74 0.00 3.13 3.12 0.00 0.00 6.38 7.35 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 29 Y 8.17 4.24 0.00 3.19 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 30 L 8.14 4.10 0.00 1.74 1.72 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.02 4.58 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 32 G 8.82 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.31 4.85 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 34 Y 7.75 4.32 0.00 2.99 2.69 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 35 S 6.85 3.81 0.00 3.31 3.34 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 36 D 8.00 4.40 0.00 2.57 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 37 P 0.00 4.49 0.00 2.41 2.20 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.86 0.00 38 H 8.07 3.92 0.00 3.32 2.57 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 9.24 4.26 0.00 2.12 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 2.30 2.31 0.00 40 R 7.83 4.33 0.00 1.98 1.96 0.00 3.06 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 41 Q 8.87 4.18 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.47 0.00 0.00 0.00 0.00 0.00 2.14 1.62 0.00 *43 F 8.07 4.62 0.00 2.68 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 0.00 0.00 0.00 44 L 8.72 5.15 0.00 1.87 1.56 1.04 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.44 5.20 0.00 3.06 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 46 V 8.97 4.55 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 1.04 0.00 0.00 0.92 0.00 0.00 47 L 8.39 5.21 0.00 1.69 1.62 1.07 1.12 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 48 A 8.54 4.18 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 49 D 8.02 4.84 0.00 2.65 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 50 Q 7.18 4.65 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 51 E 8.62 4.14 0.00 2.05 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 0.00 2.40 2.39 0.00 52 P 0.00 4.68 0.00 0.81 1.69 0.00 3.40 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.66 0.00 53 L 8.86 5.14 0.00 1.89 1.69 1.17 0.45 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 54 L 9.27 5.30 0.00 2.30 1.69 1.19 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.64 5.45 0.00 3.37 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 4.61 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 0.67 0.00 0.00 0.80 0.00 0.00 57 P 0.00 3.95 0.00 2.02 1.69 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 58 A 8.22 3.80 1.16 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 0.00 0.00 59 L 7.73 3.92 0.00 1.54 1.67 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.24 4.40 0.00 2.09 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 2.28 2.49 0.00 61 V 7.55 3.39 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 0.99 0.00 0.00 0.83 0.00 0.00 62 E 7.95 3.82 0.00 2.03 1.88 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 2.35 2.32 0.00 63 R 7.90 3.88 0.00 2.01 2.00 0.00 3.39 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 64 A 7.86 2.97 0.36 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 65 S 7.88 3.85 0.00 3.91 3.85 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 0.00 0.00 0.00 0.00 66 S 7.72 4.26 0.00 4.00 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 67 T 7.15 4.24 4.39 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 1.39 0.00 0.00 68 V 6.97 4.22 0.97 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 0.64 0.00 0.00 0.16 0.00 0.00 69 S 8.13 4.42 0.00 3.95 3.94 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 0.00 0.00 0.00 70 F 6.30 5.00 0.00 3.36 3.22 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 71 P 0.00 4.54 0.00 2.25 2.10 0.00 4.06 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 72 V 8.32 5.05 1.98 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 0.67 0.00 0.00 0.70 0.00 0.00 73 V 8.99 4.48 2.34 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 1.16 0.00 0.00 1.04 0.00 0.00 74 G 8.67 4.98 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 0.00 0.00 0.00 75 Y 7.70 5.18 0.00 3.22 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 76 V 9.18 4.18 2.01 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 0.64 0.00 0.00 0.96 0.00 0.00 77 D 8.55 4.36 0.00 2.63 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 78 S 7.97 4.45 0.00 4.00 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 79 E 8.21 4.49 0.00 2.36 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 2.37 2.30 0.00 80 N 8.47 4.70 0.00 2.79 2.71 0.00 0.00 6.70 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 81 P 0.00 3.84 0.00 1.26 0.49 0.00 3.51 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.40 0.00 82 W 7.18 4.18 0.00 3.46 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 83 Q 8.44 3.90 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 84 K 8.09 4.01 0.00 2.00 2.04 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.88 1.65 7.81 85 I 7.66 3.22 1.62 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 -0.36 0.31 0.00 0.00 86 K 7.45 3.60 0.00 1.66 1.59 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.26 7.81 87 H 7.81 4.43 0.00 3.18 3.33 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.78 4.23 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.13 4.24 0.00 1.52 1.68 0.22 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.45 0.00 2.19 2.09 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 91 Q 8.30 4.34 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 92 L 6.98 4.18 0.00 0.27 1.07 0.65 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.97 4.37 0.00 2.54 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 94 F 8.44 4.45 0.00 3.22 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 95 K 8.61 4.30 0.00 1.80 1.82 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.53 7.81 96 R 8.55 4.88 0.00 1.76 1.69 0.00 3.19 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 97 V 8.40 4.68 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 0.54 0.00 0.00 0.02 0.00 0.00 98 A 8.59 5.31 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.85 5.10 2.34 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 1.37 0.00 0.00 1.36 0.00 0.00 100 E 8.86 4.52 0.00 2.13 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 2.44 2.42 0.00 101 F 9.03 4.39 0.00 2.85 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 0.00 102 D 7.90 4.65 0.00 2.64 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 0.00 103 N 7.90 4.75 0.00 2.68 2.85 0.00 0.00 6.98 7.78 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 0.00 104 L 8.09 4.16 0.00 1.87 1.63 1.25 1.12 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 0.00 105 I 8.24 4.16 1.90 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 1.73 0.67 0.94 0.00 0.00 106 L 8.34 3.92 0.00 1.69 1.69 0.91 0.54 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 0.00 107 T 8.00 3.92 4.35 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 1.38 0.00 0.00 108 K 8.12 4.32 0.00 2.17 2.38 0.00 1.83 0.00 0.00 1.90 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 2.18 1.73 7.81 109 Y 8.20 4.02 0.00 2.82 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 0.00 110 H 8.08 3.89 0.00 3.09 3.10 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.29 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 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.68 3.88 0.00 1.65 2.01 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.92 4.37 0.00 1.50 1.65 0.00 0.61 0.00 0.00 0.79 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 0.67 7.81 114 T 7.15 3.87 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 1.03 0.00 0.00 115 V 7.17 3.58 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 -0.36 0.00 0.00 0.76 0.00 0.00 116 F 7.91 4.81 0.00 3.03 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 0.00 117 E 8.72 4.49 0.00 1.97 2.01 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 2.26 2.33 0.00 118 T 7.81 4.62 4.27 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 1.23 0.00 0.00 119 A 7.65 4.59 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 0.00 120 E 8.87 4.46 0.00 2.15 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 2.43 2.29 0.00 121 F 9.03 5.27 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 0.00 122 D 9.09 4.87 0.00 2.69 2.58 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 0.00 0.00 0.00 0.00 123 N 8.07 4.41 0.00 1.44 2.10 0.00 0.00 6.89 7.78 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 0.00 124 L 9.25 4.28 0.00 1.81 1.75 0.97 0.89 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 0.00 125 T 8.16 3.85 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 126 P 0.00 4.47 0.00 2.10 2.05 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 127 R 7.73 3.70 0.00 1.20 1.63 0.00 3.01 0.00 0.00 2.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 128 I 7.21 3.87 1.94 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 1.66 0.93 0.86 0.00 0.00 129 Q 8.20 4.08 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.16 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 130 R 7.98 3.89 0.00 1.94 1.98 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 *132 R 7.96 4.45 0.00 1.93 1.83 0.00 3.20 0.00 0.00 2.93 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.36 0.00 133 L 7.76 4.15 0.00 1.75 1.73 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.02 4.34 1.90 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 1.19 0.58 0.93 0.00 0.00 135 K 8.64 4.18 0.00 1.71 1.70 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.