NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3838 8.1227 123.5760 52.2525 20.8584 178.9090 2 L 4.0527 7.9560 117.0866 57.7975 42.1695 177.8384 *3 W 4.1809 8.9009 123.7806 61.3709 28.6221 180.2059 4 Q 4.3715 7.8712 117.5220 58.7922 28.3206 178.0137 5 F 4.4424 8.5232 121.9489 61.4463 39.4717 176.3978 6 N 4.2149 8.7448 117.2242 56.8888 38.6840 176.9560 7 G 3.8165 7.9432 107.6446 47.5293 0.0000 175.5355 8 M 4.0165 8.2086 121.4508 58.1258 31.8832 178.8499 9 I 3.5272 7.6550 119.8215 64.4490 36.7846 178.6352 10 K 4.1697 8.0712 119.0830 59.5628 31.6094 178.5045 11 C 4.3391 8.2668 118.9412 59.5896 43.3515 175.5816 12 K 4.1205 7.6406 118.5211 57.1805 33.1052 177.0722 13 I 4.5425 8.0081 120.0522 58.3990 37.7481 173.9804 14 P 4.5347 0.0000 0.0000 64.0495 31.5634 177.6320 15 S 4.4305 7.9617 110.7727 58.4498 63.6496 173.8144 16 S 4.7483 7.6569 115.7059 57.1549 63.7300 173.6348 17 E 4.5849 8.3699 124.5738 53.4114 29.4558 174.8483 18 P 4.5915 0.0000 0.0000 65.5724 31.7571 179.0207 19 L 4.1408 7.9726 116.3186 56.9215 41.9884 177.9382 20 L 4.4287 7.7689 117.3132 56.8535 42.6067 177.6483 21 D 4.3004 8.3491 117.3526 56.7106 40.6431 177.4919 22 F 4.7120 8.0482 114.7649 57.2434 40.1491 175.6334 23 N 4.5434 8.1390 119.4204 54.3295 40.1227 174.0255 24 N 4.2103 8.8395 119.8353 54.8385 36.1582 173.3065 25 Y 4.8484 7.9771 118.6305 56.4718 42.5551 175.6482 26 G 3.9282 7.9558 116.0798 46.6457 0.0000 172.7328 27 C 4.4788 9.3068 115.4237 57.7813 41.0128 174.7741 28 Y 4.2237 8.6438 115.8323 58.2469 40.0480 175.2521 29 C 4.5415 8.4850 118.6491 57.6377 40.3588 172.5906 30 G 4.0258 8.9728 111.1040 43.1288 0.0000 172.1662 31 L 3.9619 8.4110 121.9447 56.1390 42.8514 178.9119 32 G 3.8206 8.8146 114.2328 46.5546 0.0000 171.1889 33 G 4.0977 7.6863 111.3058 44.9382 0.0000 171.9627 34 S 4.3348 7.2447 117.8897 57.9959 66.0706 174.3837 35 G 3.7916 8.5775 107.1430 45.1171 0.0000 172.0529 36 T 4.6716 8.1485 115.4542 60.9726 70.2438 172.9275 37 P 4.7748 0.0000 0.0000 63.1907 31.8778 177.1003 38 V 3.8184 8.7194 115.0862 63.5851 32.2257 175.1936 39 D 4.6162 7.4421 117.0726 51.6712 41.7716 175.3466 40 D 4.3623 8.7590 117.9021 57.5600 40.7887 178.3983 41 L 3.9006 7.9665 120.3903 58.3266 42.0728 178.4134 42 D 4.4926 8.7084 117.9340 57.3984 41.0803 178.1902 43 R 3.7957 8.0582 119.3742 59.3462 30.0251 177.8499 44 C 4.3470 8.3004 116.5647 60.3201 39.5862 175.4735 45 C 4.4562 8.2438 117.8063 59.8781 40.4417 175.9657 46 Q 3.5610 8.2087 121.3816 59.3605 28.6003 178.3147 47 T 3.7767 7.9091 116.8046 66.8773 68.4956 175.8926 48 H 3.9412 8.1823 119.9191 59.4282 29.8595 176.9139 49 D 4.2710 8.3315 120.8514 57.6125 40.6944 178.7149 50 N 4.4146 8.4253 117.0477 56.1968 38.4887 176.7952 51 C 4.4079 8.6848 120.4685 60.0123 37.9463 175.2564 52 Y 4.1644 8.1795 118.3765 61.0578 37.1503 178.7464 53 K 4.0809 8.1068 118.8996 59.2940 32.4348 178.8931 54 Q 4.0613 8.3928 119.7108 59.1263 29.1819 177.9393 55 A 3.4522 7.9736 121.7110 55.1425 18.2204 179.5163 56 K 4.0870 7.7367 114.1470 57.9821 32.1913 177.6693 57 K 4.3139 7.5562 118.9366 56.0541 32.8986 176.3601 58 L 4.2570 7.4230 119.0220 54.5199 43.3330 176.8513 59 D 4.3564 8.7122 123.6136 58.1006 40.6407 179.7513 60 S 4.1596 7.9178 113.2494 61.4826 62.9019 176.7513 61 C 4.4346 8.4291 118.8043 58.8688 39.7919 175.7536 62 K 3.9719 7.3678 119.4525 59.8184 31.7745 178.2325 63 V 3.8466 7.7501 118.5097 65.3680 31.9154 175.8999 *64 L 4.7386 9.8943 117.8530 53.3368 44.7421 181.3632 *71 N 4.8653 8.1441 113.8647 55.0423 39.2529 177.6164 72 N 5.3812 9.1896 123.8354 51.5966 38.5928 172.3194 73 Y 4.7591 7.5044 121.6600 55.5658 40.4297 175.2642 74 S 5.1637 9.3584 116.4391 57.2863 65.3246 173.2658 75 Y 5.3293 8.0666 120.0460 56.2924 41.3833 173.0889 76 S 4.4226 9.0144 113.7417 56.5496 66.8140 171.8663 77 C 5.4725 8.6455 121.3022 55.0189 46.8479 173.1947 78 S 4.5166 9.0002 120.2221 58.1724 65.1734 173.5313 79 N 4.2353 9.6641 125.8737 54.7539 35.8851 174.0441 80 N 4.6041 8.3439 108.1910 53.4909 36.7037 174.1272 81 E 4.7522 8.1617 117.4280 54.5515 32.2593 174.8728 82 I 5.1428 8.1997 122.9480 60.1528 39.5246 175.2224 83 T 4.6566 8.9130 122.3603 61.9281 71.8925 172.8204 84 C 4.9064 8.9013 124.1665 56.7725 35.6142 173.3952 85 S 4.7712 8.7178 117.7973 57.5902 63.1886 175.1923 86 S 4.3621 8.7506 119.3505 60.0184 63.1932 174.8018 87 E 4.0959 7.9694 121.7387 58.1607 29.6446 176.5874 88 N 4.6696 7.6860 116.3751 53.4175 39.1407 175.4438 89 N 4.7211 8.9603 120.3616 51.9586 41.0902 176.2370 90 A 4.0023 8.4921 122.2627 55.8711 18.2528 180.2337 91 C 4.1476 8.1127 115.9744 60.0590 42.2733 175.4021 92 E 3.9448 8.2787 119.3784 59.4749 29.0404 179.1756 93 A 3.9586 8.3652 121.0960 54.9033 18.4332 179.5193 94 F 3.8626 8.1363 119.2804 61.4861 39.5085 177.5493 95 I 3.6778 8.0216 119.5710 64.3847 36.8290 177.4925 96 C 3.0200 8.0906 119.7607 59.2708 44.0008 175.2524 97 N 4.0413 7.8303 118.5668 56.6405 38.4787 176.1483 98 C 4.0683 7.8954 117.9249 60.1189 41.4865 175.9805 99 D 3.7247 7.9374 120.2486 57.0897 40.4277 178.7214 100 R 3.7566 8.0722 119.5808 59.5654 29.9864 178.2972 101 N 4.2339 8.2120 116.1244 56.2051 38.4933 177.3369 102 A 3.6702 7.8621 122.0000 54.7246 18.3890 179.4480 103 A 3.4013 7.8557 119.3176 55.2011 18.2151 179.9678 104 I 3.5619 7.3624 116.8196 64.5360 37.4961 177.2995 105 C 4.3052 8.1872 119.5201 60.0736 43.1918 175.6980 106 F 4.2708 8.2962 118.2109 60.6066 38.5741 177.3691 107 S 4.4246 7.9161 111.1349 59.7583 63.0362 174.7361 108 K 4.5156 7.8370 120.4975 56.1763 32.9673 175.8912 109 V 4.5896 7.3882 111.2397 58.3928 34.9809 173.5837 110 P 4.4811 0.0000 0.0000 62.7616 31.7976 175.4197 111 Y 4.4433 8.5156 121.5322 55.8989 40.2988 174.7289 112 N 4.8734 8.7903 125.7589 51.2387 39.6352 175.7182 113 K 3.9739 8.7778 124.2858 59.4623 32.4421 179.3789 114 E 3.8977 8.0690 117.1495 59.4234 29.5445 177.4071 115 H 4.3357 7.8606 114.2843 55.6692 29.1684 175.1147 116 K 3.9633 7.4586 121.9106 57.4454 32.9273 176.2493 117 N 4.1359 9.2504 123.3381 54.1871 36.6106 174.6924 118 L 3.9999 7.3443 118.0335 54.4434 43.4875 175.5362 119 D 4.3934 8.5062 125.0711 53.9986 41.6242 177.0543 120 K 4.0181 8.7004 126.2184 58.4933 32.2489 178.8903 121 K 4.1430 8.2819 118.1423 58.8087 31.9660 177.4069 122 N 4.6668 8.2040 114.9999 53.5535 38.7579 174.5562 123 C 4.5077 8.4950 122.2600 56.9949 41.5682 173.5898 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 A 8.12 4.38 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 2 L 7.96 4.05 0.00 1.96 1.76 1.19 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *3 W 8.90 4.18 0.00 2.54 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 0.00 0.00 0.00 0.00 4 Q 7.87 4.37 0.00 1.78 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 5 F 8.52 4.44 0.00 3.18 3.26 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 6 N 8.74 4.21 0.00 2.77 2.89 0.00 0.00 7.16 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.94 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 8 M 8.21 4.02 0.00 1.95 2.24 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.08 0.00 9 I 7.65 3.53 1.79 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.22 0.75 0.00 0.00 10 K 8.07 4.17 0.00 1.98 1.90 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.63 7.81 11 C 8.27 4.34 0.00 3.21 3.35 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 12 K 7.64 4.12 0.00 1.80 1.84 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.56 7.81 13 I 8.01 4.54 2.02 0.00 0.00 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 1.35 1.30 0.98 0.00 0.00 14 P 0.00 4.53 0.00 2.05 2.13 0.00 3.73 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 2.03 2.04 0.00 15 S 7.96 4.43 0.00 3.94 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 16 S 7.66 4.75 0.00 3.97 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 17 E 8.37 4.58 0.00 2.03 1.85 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 2.21 2.37 0.00 18 P 0.00 4.59 0.00 2.17 2.27 0.00 3.63 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 2.33 2.20 0.00 19 L 7.97 4.14 0.00 1.67 1.78 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.77 4.43 0.00 1.78 1.69 0.92 1.05 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 21 D 8.35 4.30 0.00 2.24 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 0.00 0.00 0.00 22 F 8.05 4.71 0.00 3.08 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 23 N 8.14 4.54 0.00 2.82 2.85 0.00 0.00 7.11 7.79 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 24 N 8.84 4.21 0.00 3.04 2.84 0.00 0.00 6.46 7.48 0.00 0.00 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 Y 7.98 4.85 0.00 2.94 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.96 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 0.00 0.00 0.00 27 C 9.31 4.48 0.00 3.07 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 28 Y 8.64 4.22 0.00 3.27 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 29 C 8.49 4.54 0.00 3.36 3.30 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 30 G 8.97 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.41 3.96 0.00 1.65 1.63 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.81 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 33 G 7.69 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 0.00 0.00 0.00 34 S 7.24 4.33 0.00 3.90 3.75 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 35 G 8.58 3.79 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 0.00 0.00 0.00 36 T 8.15 4.67 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 1.24 0.00 0.00 37 P 0.00 4.77 0.00 2.04 2.08 0.00 3.70 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 2.00 1.79 0.00 38 V 8.72 3.82 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 0.63 0.00 0.00 0.73 0.00 0.00 39 D 7.44 4.62 0.00 2.93 2.85 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 40 D 8.76 4.36 0.00 2.74 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 41 L 7.97 3.90 0.00 1.76 1.65 0.33 0.50 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 42 D 8.71 4.49 0.00 3.16 2.87 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 0.00 0.00 0.00 43 R 8.06 3.80 0.00 2.04 2.08 0.00 3.14 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 44 C 8.30 4.35 0.00 3.52 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.24 4.46 0.00 3.34 3.43 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 46 Q 8.21 3.56 0.00 1.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.03 1.38 0.00 47 T 7.91 3.78 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 1.17 0.00 0.00 48 H 8.18 3.94 0.00 3.16 3.40 0.00 5.59 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 49 D 8.33 4.27 0.00 3.02 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 50 N 8.43 4.41 0.00 2.86 2.88 0.00 0.00 6.69 7.98 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 51 C 8.68 4.41 0.00 3.06 3.20 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 0.00 52 Y 8.18 4.16 0.00 3.10 2.97 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 53 K 8.11 4.08 0.00 1.97 1.91 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.70 7.81 54 Q 8.39 4.06 0.00 2.39 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 55 A 7.97 3.45 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 56 K 7.74 4.09 0.00 1.73 1.86 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.61 7.81 57 K 7.56 4.31 0.00 1.67 1.75 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.34 7.81 58 L 7.42 4.26 0.00 1.55 1.38 0.11 0.58 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 59 D 8.71 4.36 0.00 2.67 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 60 S 7.92 4.16 0.00 3.78 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 61 C 8.43 4.43 0.00 3.08 3.04 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 0.00 0.00 0.00 0.00 62 K 7.37 3.97 0.00 1.73 1.84 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.65 7.81 63 V 7.75 3.85 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 0.81 0.00 0.00 0.92 0.00 0.00 *64 L 9.89 4.74 0.00 1.70 1.46 0.92 0.97 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 *71 N 8.14 4.87 0.00 2.73 2.00 0.00 0.00 6.50 8.00 0.00 0.00 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 N 9.19 5.38 0.00 2.59 2.67 0.00 0.00 7.32 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 73 Y 7.50 4.76 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 74 S 9.36 5.16 0.00 3.83 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 75 Y 8.07 5.33 0.00 3.29 3.26 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 76 S 9.01 4.42 0.00 3.82 3.87 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 0.00 0.00 0.00 77 C 8.65 5.47 0.00 3.16 3.04 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 0.00 0.00 0.00 0.00 78 S 9.00 4.52 0.00 3.85 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 79 N 9.66 4.24 0.00 2.88 2.86 0.00 0.00 7.17 8.00 0.00 0.00 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 N 8.34 4.60 0.00 2.87 3.01 0.00 0.00 7.08 7.66 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 81 E 8.16 4.75 0.00 2.15 1.81 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 2.21 2.44 0.00 82 I 8.20 5.14 1.87 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 1.40 0.58 0.95 0.00 0.00 83 T 8.91 4.66 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 1.23 0.00 0.00 84 C 8.90 4.91 0.00 2.81 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 85 S 8.72 4.77 0.00 3.97 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 86 S 8.75 4.36 0.00 4.02 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 E 7.97 4.10 0.00 1.99 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 0.00 2.35 2.30 0.00 88 N 7.69 4.67 0.00 2.90 2.86 0.00 0.00 7.01 8.92 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 89 N 8.96 4.72 0.00 2.77 2.77 0.00 0.00 6.63 7.43 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 90 A 8.49 4.00 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 91 C 8.11 4.15 0.00 3.13 3.09 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 0.00 0.00 0.00 92 E 8.28 3.94 0.00 2.28 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 2.50 2.43 0.00 93 A 8.37 3.96 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 94 F 8.14 3.86 0.00 3.17 3.09 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 0.00 0.00 0.00 95 I 8.02 3.68 1.88 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 1.12 0.87 0.85 0.00 0.00 96 C 8.09 3.02 0.00 2.11 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 97 N 7.83 4.04 0.00 2.75 2.53 0.00 0.00 7.21 7.80 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 98 C 7.90 4.07 0.00 3.23 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 99 D 7.94 3.72 0.00 2.69 2.65 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 0.00 100 R 8.07 3.76 0.00 1.70 1.96 0.00 3.04 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 101 N 8.21 4.23 0.00 2.83 2.75 0.00 0.00 6.96 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 0.00 102 A 7.86 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.86 3.40 1.25 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 0.00 0.00 0.00 104 I 7.36 3.56 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.88 0.00 0.00 105 C 8.19 4.31 0.00 3.07 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 0.00 106 F 8.30 4.27 0.00 2.78 2.61 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 0.00 107 S 7.92 4.42 0.00 4.04 4.12 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 0.00 108 K 7.84 4.52 0.00 1.89 1.87 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.52 7.81 109 V 7.39 4.59 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 0.83 0.00 0.00 1.04 0.00 0.00 110 P 0.00 4.48 0.00 2.10 2.04 0.00 3.68 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 2.06 2.11 0.00 111 Y 8.52 4.44 0.00 2.92 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 0.00 112 N 8.79 4.87 0.00 2.82 2.55 0.00 0.00 6.56 8.83 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 0.00 113 K 8.78 3.97 0.00 1.84 1.95 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.55 7.81 114 E 8.07 3.90 0.00 1.68 1.89 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 2.24 2.34 0.00 115 H 7.86 4.34 0.00 2.23 2.57 0.00 5.63 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 0.00 116 K 7.46 3.96 0.00 1.70 1.75 0.00 2.10 0.00 0.00 1.92 0.00 0.00 3.33 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.47 7.81 117 N 9.25 4.14 0.00 2.74 2.79 0.00 0.00 6.95 5.12 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 0.00 118 L 7.34 4.00 0.00 1.64 1.45 0.82 1.17 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 0.00 119 D 8.51 4.39 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.70 4.02 0.00 1.79 1.80 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.38 7.81 121 K 8.28 4.14 0.00 1.83 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.54 7.81 122 N 8.20 4.67 0.00 2.69 2.81 0.00 0.00 6.83 8.14 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 0.00 123 C 8.49 4.51 0.00 2.79 3.09 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.