NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9110 8.3549 109.7436 45.3227 0.0000 174.6818 1 L 3.7457 7.7703 117.7456 54.2739 42.1725 175.1456 2 F 5.1709 8.4079 117.7334 54.2588 43.4523 173.6836 3 E 4.2832 8.8366 124.9196 56.3045 31.4286 177.9334 4 G 3.9540 9.0613 115.2019 46.8180 0.0000 174.0369 5 D 4.7929 9.4452 123.3345 53.2938 43.0893 174.6105 6 K 4.8853 7.7317 118.0453 55.0637 34.8190 175.5403 7 F 3.3925 8.7420 123.1414 58.3699 39.7808 175.2402 8 V 4.1413 6.5751 123.4154 61.9479 33.8925 175.5047 9 G 3.2002 5.3800 107.4752 45.7951 0.0000 173.3848 10 S 4.4349 8.0231 115.4177 56.9833 64.4736 175.0274 11 F 3.9395 8.6164 121.4333 61.1404 38.6660 176.7997 12 E 3.6792 7.9460 117.0522 59.4058 29.7200 178.7467 13 S 4.2294 7.9502 114.7952 61.6998 62.9689 176.4012 14 A 3.8645 7.7226 122.9505 55.5493 17.8078 179.4685 15 A 3.7950 7.6143 117.5007 55.0189 18.4082 178.7856 16 M 4.5381 8.3071 115.0953 56.4944 32.9489 176.4157 17 G 4.5012 8.5288 106.7296 42.2401 0.0000 171.7287 18 T 5.2296 7.9553 116.4231 61.9114 70.8941 173.8908 19 F 5.0645 8.8741 119.5767 56.0699 41.8283 173.0770 20 V 4.1408 8.6232 120.5167 62.2974 32.5012 175.3535 21 I 4.0430 8.7384 130.0986 60.8977 38.0962 174.6284 22 D 5.1795 8.7493 127.0955 49.9491 42.8860 176.0200 23 M 4.2298 8.7872 114.7895 58.5335 31.0976 178.3085 24 R 4.1293 8.1040 119.1638 58.6979 30.5329 178.6604 25 S 3.9785 8.6365 115.8892 60.5707 63.0437 175.8434 26 Y 3.8422 8.0412 123.2988 60.4170 38.4681 177.5879 27 E 3.9452 8.3679 120.1526 59.7301 29.7246 179.0419 28 T 3.8518 7.6814 115.4091 66.5686 68.5615 176.7609 29 L 4.0107 7.9046 120.9411 57.9571 41.5664 179.4888 30 V 3.4349 7.4733 118.6271 65.9884 31.4016 176.8939 31 N 4.8232 7.7400 114.1781 53.4098 38.3821 175.3283 32 S 4.7645 8.5171 111.8594 58.1226 63.9204 174.8735 33 T 4.5455 7.8197 116.1824 63.2633 72.1578 174.8310 34 S 4.6627 7.6166 119.0203 57.0899 66.5570 173.9541 35 L 3.8210 8.3873 121.0991 59.0371 41.7257 180.3060 36 D 4.2509 7.8994 118.2441 57.3310 40.9886 178.4680 37 R 3.6137 7.7251 118.4365 59.2535 30.0643 178.9635 38 I 3.6377 7.5753 118.8015 64.4193 36.9094 178.1290 39 K 3.8953 7.7939 117.7821 59.7074 32.1692 178.8823 40 S 4.1907 7.9707 114.0479 61.8953 62.8061 175.7818 41 Y 4.4537 8.0898 121.2721 60.6155 37.7094 178.6920 42 A 4.1896 8.7582 121.5478 55.7927 18.1983 179.4609 43 N 4.4133 8.4021 114.0722 56.1653 37.3491 176.8296 44 S 4.5744 8.1665 113.3657 58.7847 63.3288 175.6627 45 F 4.2008 8.5628 125.9160 61.8579 39.1981 176.2599 46 N 4.0953 8.5010 115.4252 56.4634 38.1889 176.6232 47 K 3.7380 7.0665 117.3267 60.0415 32.1685 177.7744 48 Y 4.5286 7.3716 113.2932 57.6479 39.2136 176.5490 49 K 4.2897 7.5039 119.9493 54.7477 31.6161 175.8831 *53 G 3.6553 7.5562 108.2659 44.8727 0.0000 171.5092 54 S 3.8532 8.7886 116.7793 59.1827 61.7736 174.4930 55 M 3.2173 8.3489 119.2062 56.9178 30.0353 176.8125 56 G 3.9884 10.8162 125.6684 45.1749 0.0000 170.6492 57 E 4.0877 8.4004 119.4203 53.3470 31.5995 182.5692 58 A 3.7808 8.8198 119.4792 53.2780 18.9683 179.1087 59 D 4.4359 9.1647 118.3872 56.4375 41.8048 177.0170 60 Y 3.9340 7.7961 119.7389 60.6421 38.7297 177.7727 61 R 3.4435 7.8952 119.5687 59.8483 29.9356 178.0715 62 M 3.6522 7.4925 117.5962 58.2862 31.8662 178.5617 63 A 3.0896 7.1917 120.9354 55.0375 18.3103 179.4098 64 C 3.9409 7.7118 115.4234 63.1524 28.1613 175.5704 65 Y 4.2816 7.9252 118.1768 61.4450 37.4964 179.0812 66 A 4.4484 8.7529 121.9798 55.5642 18.5189 178.8658 67 H 4.3295 8.9714 117.2188 59.4119 29.9328 176.8101 68 L 3.6672 8.6808 122.4595 58.4423 41.8087 178.9060 69 G 4.1663 8.6340 105.3742 48.3322 0.0000 175.1576 70 K 3.7888 8.4127 121.8288 58.7003 32.1334 178.4669 71 A 4.0732 7.8364 120.9318 55.4549 18.2488 179.4768 72 L 4.1442 8.1457 117.1729 58.5200 41.8578 179.7621 73 M 4.1769 8.2677 118.4071 58.4594 31.7633 178.6107 74 D 4.3019 8.7275 119.3170 57.5736 40.5163 178.0376 75 Y 4.1026 8.3305 120.5479 60.7810 38.4752 178.4005 76 S 3.6053 7.9562 114.1432 61.1612 63.0514 176.5647 77 V 3.8139 7.2915 120.6183 64.0533 31.4937 176.0887 78 S 4.4464 7.5430 115.6806 56.2461 64.2744 175.6601 79 R 3.2998 7.9811 128.8807 54.7723 28.5515 177.6046 80 N 4.7661 7.5834 115.3491 51.7767 39.5961 175.4292 81 D 4.7228 8.7046 123.0999 55.3360 42.1052 175.9978 82 K 4.5611 8.8506 122.6113 54.9410 36.2605 174.4019 83 L 4.3191 8.4932 129.0630 55.0532 43.0643 174.9619 84 Y 4.6656 8.9226 128.1982 56.1397 40.7744 174.3635 85 T 4.8882 7.0468 114.6941 59.0686 72.1682 171.7410 86 P 4.5259 0.0000 0.0000 61.4678 32.3367 174.5873 87 P 4.2399 0.0000 0.0000 62.8618 31.8954 176.4456 88 T 4.1389 8.1963 117.2009 63.5491 69.1156 174.1445 89 V 4.5769 8.0374 123.4280 61.1092 35.0208 174.5291 90 S 4.7015 8.4004 118.1213 56.4960 65.8334 173.7874 91 V 4.3714 8.2788 123.6816 61.0406 33.2092 174.5643 92 N 4.9646 8.3398 123.1394 51.1262 42.2263 174.4577 93 S 4.4190 8.4415 116.6996 59.0822 63.4125 173.9824 94 T 4.5189 8.0135 109.4873 60.1471 68.1286 173.5520 95 L 3.9715 7.3974 123.4312 56.4658 42.2528 174.9767 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 0 G 8.35 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 1 L 7.77 3.75 0.00 1.75 0.94 1.00 0.51 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 2 F 8.41 5.17 0.00 2.87 2.96 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 E 8.84 4.28 0.00 2.01 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 2.33 2.22 0.00 4 G 9.06 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 5 D 9.45 4.79 0.00 2.61 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 6 K 7.73 4.89 0.00 2.03 1.98 0.00 1.39 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.40 7.81 7 F 8.74 3.39 0.00 2.81 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 8 V 6.58 4.14 1.74 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 0.69 0.00 0.00 0.88 0.00 0.00 9 G 5.38 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 0.00 0.00 0.00 10 S 8.02 4.43 0.00 4.11 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 11 F 8.62 3.94 0.00 3.01 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 12 E 7.95 3.68 0.00 1.95 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 2.34 2.01 0.00 13 S 7.95 4.23 0.00 3.75 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 14 A 7.72 3.86 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 15 A 7.61 3.79 1.17 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 0.00 0.00 16 M 8.31 4.54 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.92 0.00 17 G 8.53 4.50 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 0.00 0.00 0.00 18 T 7.96 5.23 4.37 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 1.29 0.00 0.00 19 F 8.87 5.06 0.00 3.47 3.38 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 20 V 8.62 4.14 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 0.76 0.00 0.00 0.96 0.00 0.00 21 I 8.74 4.04 1.72 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 1.02 -0.15 0.55 0.00 0.00 22 D 8.75 5.18 0.00 2.77 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 23 M 8.79 4.23 0.00 2.42 2.50 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.69 0.00 24 R 8.10 4.13 0.00 2.03 2.06 0.00 3.18 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 25 S 8.64 3.98 0.00 3.09 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 26 Y 8.04 3.84 0.00 2.92 3.05 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 27 E 8.37 3.95 0.00 2.30 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 0.00 2.33 2.41 0.00 28 T 7.68 3.85 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 1.31 0.00 0.00 29 L 7.90 4.01 0.00 1.48 1.67 0.70 1.15 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 30 V 7.47 3.43 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 0.86 0.00 0.00 0.04 0.00 0.00 31 N 7.74 4.82 0.00 2.83 2.80 0.00 0.00 6.79 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 32 S 8.52 4.76 0.00 3.83 3.84 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 33 T 7.82 4.55 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 0.94 0.00 0.00 34 S 7.62 4.66 0.00 4.20 3.88 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 35 L 8.39 3.82 0.00 1.72 1.72 0.96 1.31 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 36 D 7.90 4.25 0.00 2.66 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 37 R 7.73 3.61 0.00 1.76 1.55 0.00 2.91 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 38 I 7.58 3.64 1.99 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 1.46 0.44 1.02 0.00 0.00 39 K 7.79 3.90 0.00 1.95 1.89 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.62 7.81 40 S 7.97 4.19 0.00 3.94 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 41 Y 8.09 4.45 0.00 3.17 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 42 A 8.76 4.19 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.40 4.41 0.00 2.99 2.96 0.00 0.00 7.12 7.19 0.00 0.00 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 S 8.17 4.57 0.00 4.38 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 0.00 45 F 8.56 4.20 0.00 3.26 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 46 N 8.50 4.10 0.00 2.78 2.91 0.00 0.00 6.55 7.33 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 47 K 7.07 3.74 0.00 1.56 1.92 0.00 1.55 0.00 0.00 1.23 0.00 0.00 2.40 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.62 1.18 7.81 48 Y 7.37 4.53 0.00 2.98 2.86 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 49 K 7.50 4.29 0.00 1.25 1.51 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.29 7.81 *53 G 7.56 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 54 S 8.79 3.85 0.00 4.00 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 55 M 8.35 3.22 0.00 2.10 2.40 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 56 G 10.82 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 57 E 8.40 4.09 0.00 2.03 1.77 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 2.39 2.30 0.00 58 A 8.82 3.78 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 59 D 9.16 4.44 0.00 2.98 2.92 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 60 Y 7.80 3.93 0.00 2.90 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.44 0.00 1.77 1.70 0.00 2.96 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.46 0.00 62 M 7.49 3.65 0.00 1.73 1.94 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.67 0.00 63 A 7.19 3.09 1.02 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 64 C 7.71 3.94 0.00 2.78 2.90 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 65 Y 7.93 4.28 0.00 2.90 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 0.00 0.00 0.00 0.00 66 A 8.75 4.45 1.63 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 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.97 4.33 0.00 3.58 3.65 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.68 3.67 0.00 1.16 1.22 0.78 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.63 4.17 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 0.00 0.00 0.00 70 K 8.41 3.79 0.00 1.29 1.24 0.00 0.61 0.00 0.00 0.90 0.00 0.00 3.20 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 1.06 7.81 71 A 7.84 4.07 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.15 4.14 0.00 2.02 1.98 1.08 1.10 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 73 M 8.27 4.18 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.96 0.00 74 D 8.73 4.30 0.00 2.76 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 75 Y 8.33 4.10 0.00 2.95 3.11 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 76 S 7.96 3.61 0.00 4.06 4.09 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 77 V 7.29 3.81 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 0.81 0.00 0.00 0.94 0.00 0.00 78 S 7.54 4.45 0.00 3.87 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 79 R 7.98 3.30 0.00 1.63 1.65 0.00 2.80 0.00 0.00 2.52 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.33 0.00 80 N 7.58 4.77 0.00 2.74 2.80 0.00 0.00 7.19 8.06 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 81 D 8.70 4.72 0.00 2.62 2.63 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 0.00 0.00 0.00 0.00 82 K 8.85 4.56 0.00 1.92 1.57 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.37 7.81 83 L 8.49 4.32 0.00 1.65 1.50 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.92 4.67 0.00 2.66 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 0.00 0.00 0.00 0.00 85 T 7.05 4.89 4.09 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 1.14 0.00 0.00 86 P 0.00 4.53 0.00 2.03 2.10 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 87 P 0.00 4.24 0.00 2.15 1.72 0.00 3.65 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 88 T 8.20 4.14 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 1.22 0.00 0.00 89 V 8.04 4.58 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 0.73 0.00 0.00 0.85 0.00 0.00 90 S 8.40 4.70 0.00 3.83 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 91 V 8.28 4.37 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 0.80 0.00 0.00 0.85 0.00 0.00 92 N 8.34 4.96 0.00 2.67 2.63 0.00 0.00 7.03 7.57 0.00 0.00 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 S 8.44 4.42 0.00 3.81 3.80 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 0.00 0.00 0.00 94 T 8.01 4.52 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 1.20 0.00 0.00 95 L 7.40 3.97 0.00 1.87 1.70 0.92 0.74 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 * Residues marked with a * may have inaccurate shift predictions.