NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6212 8.2233 120.1907 54.2334 42.6264 176.0900 3 T 3.7555 8.6145 123.8250 66.0921 68.5676 174.6035 4 H 4.1117 8.3683 120.1498 59.5974 30.2060 176.5355 5 E 3.9383 8.1834 118.5288 59.0233 29.5415 178.6064 6 F 4.3648 8.3499 121.8769 61.7923 39.4456 176.9330 7 H 4.0431 8.3599 115.9499 58.4865 28.4189 177.8297 8 K 3.8107 8.0495 120.4893 59.4579 31.8821 179.0051 9 L 3.8962 7.9393 120.3676 58.0705 42.1240 178.9619 10 L 3.8308 7.6319 118.9018 57.7942 41.4981 179.5933 11 I 3.6025 7.7769 119.8219 64.1918 36.9246 178.4590 12 K 3.8817 8.0374 120.5655 59.1428 32.0047 178.8126 13 V 3.3444 8.0090 119.1228 66.0985 31.2401 178.1660 14 V 3.6407 7.3818 117.1454 66.0162 31.3544 177.3941 15 D 4.2861 7.9551 118.6009 57.7055 40.7462 179.1594 16 L 3.9904 8.1285 119.3828 57.4417 41.4480 179.4477 17 F 5.0636 8.1791 122.0647 61.0676 39.2356 177.2940 18 L 3.3647 7.7639 117.3354 57.4217 41.4036 178.8215 19 E 4.0018 7.9015 116.5978 56.5537 29.3983 176.8475 20 D 4.4692 7.8693 118.0168 55.0089 40.4673 175.6938 21 R 3.8676 8.0566 118.5613 58.3124 30.3974 177.0562 22 I 4.3369 7.4300 119.9240 59.6936 37.7650 176.6167 23 K 4.2724 9.1794 125.6723 58.7454 32.2368 177.0271 24 E 5.2581 7.9352 113.0291 55.8695 32.1372 174.1721 25 F 4.8878 8.3562 114.6855 56.7123 41.7868 172.6511 26 E 5.0398 8.2566 117.2529 54.2506 33.5607 174.3346 *28 K 4.2495 8.4963 119.7837 57.0522 33.2292 175.0448 29 L 4.7915 8.6174 123.7878 54.0409 46.9078 174.6703 30 N 5.4899 8.7496 119.4573 52.7531 40.1185 172.7798 31 T 4.8713 8.9232 118.6852 60.6095 71.8904 172.0850 32 T 5.0636 8.6667 123.7625 62.1079 70.1671 173.9344 33 L 4.7930 8.8898 127.8198 53.5547 43.9232 177.1351 34 D 4.9303 8.9442 122.9126 52.2897 41.2606 176.9704 35 E 4.1407 8.9439 118.4760 59.6552 29.4269 178.5116 36 L 4.0131 7.9940 118.4440 57.8270 41.6670 179.1864 37 E 3.9458 9.0077 118.9568 59.3938 29.2902 179.2431 38 F 3.7845 8.3917 120.6162 61.2180 39.3032 177.0502 39 E 3.9304 8.4412 118.3397 59.4039 29.0373 178.9843 40 E 3.8768 8.1473 118.4745 58.9379 29.7308 178.1356 41 L 3.9331 7.7406 120.0908 58.0605 42.1916 178.6348 42 I 3.7965 7.1894 111.0676 59.2464 38.1574 178.2357 43 G 3.8531 8.1890 107.7009 46.5088 0.0000 176.3464 44 K 4.6004 8.8494 116.3001 53.8551 32.7239 173.6728 45 P 4.0021 0.0000 0.0000 62.4903 32.4005 177.1637 46 D 4.6565 8.5389 120.1345 56.9066 41.5096 176.6622 47 S 4.7829 7.5751 111.2730 57.2643 66.4805 173.1722 48 S 5.0093 8.2793 114.2853 57.3369 66.5635 172.3321 49 N 4.9545 8.3397 117.1642 52.5826 42.5764 173.0245 50 S 5.2484 8.5282 118.4963 56.8241 65.6925 172.6970 51 A 4.8713 9.1502 127.4536 50.1021 22.7292 174.2034 52 E 4.5393 8.5583 119.9219 54.2032 32.8601 174.9408 53 N 4.6739 8.7052 124.2853 53.0845 41.6640 173.9194 54 N 4.2252 9.9533 123.4838 54.2652 36.3191 175.3754 55 G 3.8609 8.7245 104.6877 45.1402 0.0000 173.7114 56 I 4.3890 7.6641 121.8475 59.5907 39.3809 174.6683 57 F 4.8218 9.0514 126.3009 56.0766 41.1372 174.9572 58 I 5.0681 8.7102 123.7154 59.8195 40.1001 174.1384 59 D 5.3006 9.4676 127.9021 52.6876 43.4386 175.1756 60 E 4.4913 8.8519 123.6583 54.4030 32.2687 174.0178 61 Y 4.9507 8.8338 124.5786 56.2285 41.2347 174.7571 62 S 5.1605 8.8301 119.5404 56.9117 66.0986 172.9046 63 Y 5.0331 8.9304 121.5064 56.0655 40.4385 175.2893 64 D 4.3976 9.7474 125.8605 54.2792 41.6433 176.1073 65 A 4.4060 8.6726 126.8441 53.4220 19.8569 176.3179 66 S 4.6493 7.9836 108.2172 56.4967 66.3767 173.9007 67 E 4.1246 8.9290 120.1410 59.1129 29.3968 176.8602 68 N 4.9008 7.9848 116.3993 54.0660 41.5756 174.8146 69 A 4.5784 8.2871 120.4995 50.1120 22.1688 176.0175 *71 K 4.4476 8.2384 116.7271 56.4668 33.9082 175.5741 72 K 5.2365 9.3105 122.6404 54.5206 35.9260 174.7754 73 L 5.0727 9.1221 126.2296 53.4009 44.8339 174.7807 74 F 5.2406 9.3804 125.7847 55.9004 41.3368 174.9307 75 V 4.9575 9.1246 123.6790 61.1694 34.4120 173.5030 76 E 5.4216 9.3061 129.6854 54.9160 31.8173 174.1287 77 Y 5.4504 8.8558 123.7026 56.3142 42.4220 173.3123 78 V 4.8817 8.9028 119.9927 60.9486 34.2777 174.9681 79 R 4.5431 9.1546 127.4001 56.5955 30.8027 175.9920 80 Q 4.7248 9.0287 121.9672 52.9573 32.6255 173.6177 81 P 4.1771 0.0000 0.0000 63.9285 31.8643 175.9884 82 E 3.6886 8.6275 116.0680 57.8472 26.6469 174.4230 83 F 3.6203 6.5288 109.7226 58.8265 37.3150 175.5686 84 K 4.6067 6.9281 116.3208 54.8487 35.7134 176.1538 85 Y 4.9218 8.5354 119.2042 56.6082 41.8374 175.0666 86 T 4.6062 8.9554 123.0624 63.3839 69.5436 174.1717 87 V 4.6336 9.3984 128.5971 62.3957 32.4353 176.3670 88 L 5.3241 9.6430 128.0065 55.5858 43.7536 176.5396 89 S 4.9906 7.8141 110.8759 57.3098 66.2765 173.7585 90 I 5.1148 8.3960 121.4997 59.5583 41.1104 174.1370 91 K 4.1015 9.3766 127.8187 54.2588 35.6663 174.7683 92 G 3.0520 6.9682 114.4428 43.9516 0.0000 172.5304 93 V 5.0511 8.8526 118.0061 59.6812 36.3120 174.1278 94 N 5.0448 8.7600 119.0023 51.8633 40.1540 174.1057 95 D 4.9570 7.8106 120.8392 52.4025 44.8484 174.2399 96 W 5.1693 8.8416 121.6011 54.9883 32.6633 175.8494 97 V 3.7490 9.2899 123.8232 66.1670 31.2398 177.0550 98 R 4.3690 8.3847 118.0098 55.2739 30.9067 176.6101 99 E 4.1584 8.6337 118.9679 56.8512 29.4589 177.0177 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 D 8.22 4.62 0.00 2.79 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 3 T 8.61 3.76 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 4 H 8.37 4.11 0.00 3.25 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.18 3.94 0.00 2.23 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 2.67 2.41 0.00 6 F 8.35 4.36 0.00 3.11 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 7 H 8.36 4.04 0.00 3.24 3.23 0.00 5.70 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 8 K 8.05 3.81 0.00 1.88 1.79 0.00 1.58 0.00 0.00 1.34 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.34 7.81 9 L 7.94 3.90 0.00 1.72 1.85 0.95 0.43 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 10 L 7.63 3.83 0.00 1.67 1.50 0.46 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.78 3.60 1.94 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 1.29 0.69 0.88 0.00 0.00 12 K 8.04 3.88 0.00 1.88 1.87 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 13 V 8.01 3.34 1.92 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 0.01 0.00 0.00 0.81 0.00 0.00 14 V 7.38 3.64 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 1.11 0.00 0.00 0.94 0.00 0.00 15 D 7.96 4.29 0.00 2.83 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 16 L 8.13 3.99 0.00 1.77 1.68 0.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.18 5.06 0.00 3.28 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 18 L 7.76 3.36 0.00 1.53 1.38 0.35 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.90 4.00 0.00 2.03 1.93 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 2.27 2.40 0.00 20 D 7.87 4.47 0.00 2.79 2.66 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 21 R 8.06 3.87 0.00 1.95 1.96 0.00 3.18 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 22 I 7.43 4.34 2.08 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 1.10 0.00 0.00 23 K 9.18 4.27 0.00 1.87 1.98 0.00 1.91 0.00 0.00 0.70 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.40 7.81 24 E 7.94 5.26 0.00 2.12 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 2.30 2.36 0.00 25 F 8.36 4.89 0.00 3.13 3.13 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 0.00 0.00 0.00 26 E 8.26 5.04 0.00 1.81 1.84 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 2.04 2.04 0.00 *28 K 8.50 4.25 0.00 1.78 1.80 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.52 7.81 29 L 8.62 4.79 0.00 1.85 1.65 0.97 0.48 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 30 N 8.75 5.49 0.00 2.74 2.74 0.00 0.00 6.71 7.70 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 31 T 8.92 4.87 4.64 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 32 T 8.67 5.06 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 1.25 0.00 0.00 33 L 8.89 4.79 0.00 1.84 1.73 0.67 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.94 4.93 0.00 2.99 2.89 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 0.00 0.00 0.00 35 E 8.94 4.14 0.00 2.17 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 2.38 2.44 0.00 36 L 7.99 4.01 0.00 1.90 1.72 0.93 0.95 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 37 E 9.01 3.95 0.00 2.25 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 2.37 2.48 0.00 38 F 8.39 3.78 0.00 3.22 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 39 E 8.44 3.93 0.00 2.17 1.95 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 2.32 2.50 0.00 40 E 8.15 3.88 0.00 2.00 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 2.26 2.27 0.00 41 L 7.74 3.93 0.00 1.54 1.46 0.80 0.82 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 42 I 7.19 3.80 0.94 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.45 0.21 0.00 0.00 43 G 8.19 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 0.00 0.00 0.00 44 K 8.85 4.60 0.00 1.71 1.70 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.40 7.81 45 P 0.00 4.00 0.00 2.05 1.00 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 46 D 8.54 4.66 0.00 2.47 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 47 S 7.58 4.78 0.00 3.79 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 48 S 8.28 5.01 0.00 3.60 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 49 N 8.34 4.95 0.00 2.68 2.50 0.00 0.00 6.99 7.62 0.00 0.00 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 S 8.53 5.25 0.00 3.90 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 51 A 9.15 4.87 1.19 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 0.00 0.00 52 E 8.56 4.54 0.00 1.16 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 1.47 1.47 0.00 53 N 8.71 4.67 0.00 2.65 2.49 0.00 0.00 7.16 6.28 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 54 N 9.95 4.23 0.00 2.81 2.81 0.00 0.00 7.30 7.65 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 55 G 8.72 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 0.00 0.00 0.00 56 I 7.66 4.39 1.79 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 1.33 0.99 0.95 0.00 0.00 57 F 9.05 4.82 0.00 1.62 2.30 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 58 I 8.71 5.07 1.92 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 1.28 0.99 1.10 0.00 0.00 59 D 9.47 5.30 0.00 2.92 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 0.00 0.00 0.00 60 E 8.85 4.49 0.00 1.80 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.47 0.00 61 Y 8.83 4.95 0.00 2.89 2.42 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 0.00 62 S 8.83 5.16 0.00 3.57 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 63 Y 8.93 5.03 0.00 2.67 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 64 D 9.75 4.40 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.67 4.41 1.21 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 66 S 7.98 4.65 0.00 3.97 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 67 E 8.93 4.12 0.00 1.96 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 0.00 2.32 2.29 0.00 68 N 7.98 4.90 0.00 3.13 2.91 0.00 0.00 6.96 8.05 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 69 A 8.29 4.58 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 *71 K 8.24 4.45 0.00 1.60 1.62 0.00 0.93 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.20 7.81 72 K 9.31 5.24 0.00 1.71 1.32 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.35 7.81 73 L 9.12 5.07 0.00 2.04 1.88 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 F 9.38 5.24 0.00 2.92 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 75 V 9.12 4.96 2.47 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 1.20 0.00 0.00 1.02 0.00 0.00 76 E 9.31 5.42 0.00 2.17 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 2.28 2.26 0.00 77 Y 8.86 5.45 0.00 3.41 3.28 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 78 V 8.90 4.88 2.20 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 1.06 0.00 0.00 1.01 0.00 0.00 79 R 9.15 4.54 0.00 1.86 1.85 0.00 3.06 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.75 0.00 80 Q 9.03 4.72 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 81 P 0.00 4.18 0.00 2.08 1.88 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 82 E 8.63 3.69 0.00 2.04 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 2.15 2.22 0.00 83 F 6.53 3.62 0.00 3.23 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 84 K 6.93 4.61 0.00 1.60 1.61 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.49 7.81 85 Y 8.54 4.92 0.00 2.82 2.59 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 86 T 8.96 4.61 4.48 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 1.35 0.00 0.00 87 V 9.40 4.63 2.20 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 1.13 0.00 0.00 1.16 0.00 0.00 88 L 9.64 5.32 0.00 1.69 1.76 0.99 0.79 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 89 S 7.81 4.99 0.00 3.89 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 90 I 8.40 5.11 2.09 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 1.29 1.21 1.12 0.00 0.00 91 K 9.38 4.10 0.00 1.62 1.58 0.00 1.50 0.00 0.00 1.39 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.14 1.23 7.81 92 G 6.97 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 0.00 0.00 0.00 93 V 8.85 5.05 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 0.75 0.00 0.00 1.18 0.00 0.00 94 N 8.76 5.04 0.00 2.41 1.90 0.00 0.00 6.61 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 95 D 7.81 4.96 0.00 2.61 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.84 5.17 0.00 3.27 2.94 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 97 V 9.29 3.75 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 0.80 0.00 0.00 1.04 0.00 0.00 98 R 8.38 4.37 0.00 1.87 1.86 0.00 3.24 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 99 E 8.63 4.16 0.00 1.96 1.86 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 2.34 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.