NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.6080 0.0000 0.0000 62.5886 32.8999 175.0541 3 F 4.6461 8.9732 125.8440 56.5688 40.8417 172.7753 4 I 4.5706 7.8777 127.1096 59.9203 39.2111 173.7994 5 Y 4.5942 8.7236 128.1588 55.8499 41.0055 174.3961 6 R 4.3914 7.8763 125.6218 55.0636 31.8374 175.6689 7 R 4.0673 7.4207 120.9982 55.1355 34.0327 173.2521 8 R 4.8747 7.8630 122.8383 53.9592 33.2168 175.1231 9 V 3.9997 8.7026 126.3902 63.5228 32.7472 175.1680 10 Q 4.7955 9.2639 127.0659 54.7187 30.5585 176.8391 11 F 3.7403 9.1941 124.0878 61.5102 39.4886 176.8262 12 Y 4.3763 7.8750 115.7845 58.8248 38.0903 176.0548 13 E 4.1351 7.6119 119.9774 57.0130 29.9159 176.1810 14 T 4.6936 7.2102 109.7990 59.9869 70.9941 172.4045 15 D 4.7679 8.3052 119.7366 51.2289 42.4717 175.7944 16 A 4.0518 8.6894 120.8557 55.5170 18.1126 178.5671 17 Q 4.0050 8.4249 115.4916 57.3201 29.1337 176.9361 18 G 3.9845 8.7345 106.0694 45.6955 0.0000 172.5960 19 I 4.9537 7.1521 112.0083 58.2364 41.7174 174.6587 20 V 4.1293 8.1382 123.4234 62.9177 31.9349 175.3289 21 H 4.3550 8.8785 128.7411 56.4670 30.2598 175.7625 22 H 4.1808 8.7747 120.8739 58.7754 28.2091 177.5956 23 S 4.4553 7.7125 114.8825 61.2942 62.7922 175.8843 24 N 4.1854 8.2624 119.7014 55.5701 38.1034 176.8047 25 Y 3.0981 7.5172 118.8124 60.6878 37.8154 178.5003 26 F 4.2296 7.4445 118.2000 60.3050 38.9731 177.9961 27 R 3.9817 7.5507 117.5851 59.1945 29.9671 178.3611 28 Y 4.4169 7.5875 116.9548 61.2898 37.7904 178.6325 29 F 4.4076 7.8477 119.0752 60.4743 38.8231 177.2935 30 E 3.9893 8.2774 118.9884 59.4451 29.4276 178.7853 31 E 3.8703 8.2002 118.2330 59.1966 29.3905 179.1569 32 A 3.4591 7.7461 120.7225 55.1122 18.4813 179.8291 33 R 3.7278 8.3579 116.9529 59.1732 30.1103 179.5216 34 G 3.6312 8.1016 105.4505 48.0686 0.0000 175.6882 35 E 4.1151 8.3293 121.7917 58.6553 29.2973 179.2332 36 F 2.6645 8.3497 120.9735 60.9418 39.5536 177.2318 37 L 3.5768 7.8795 118.5121 57.5409 41.3591 179.5347 38 R 3.9043 8.0791 121.1539 60.1823 29.8465 179.4483 39 S 4.1753 7.7943 117.1980 62.8307 62.2753 177.6916 40 K 4.2566 6.9939 118.4476 56.8900 32.1374 177.8039 41 G 3.9454 7.9608 109.2422 45.7655 0.0000 174.5677 *42 F 4.7739 7.2235 116.9686 53.8442 38.4811 179.2045 43 P 4.3821 0.0000 0.0000 63.2306 32.1797 177.6086 44 Y 4.5087 8.8906 121.2437 60.6614 38.3545 178.9644 45 S 4.0485 8.1220 117.2353 62.1203 63.3492 177.0308 46 K 3.9427 7.6920 125.8011 59.7168 31.5803 180.2742 47 M 4.4175 8.1000 120.7128 58.7607 32.0375 178.9741 48 R 4.6060 7.6076 121.4788 61.2183 29.3796 180.4985 49 D 4.6395 8.1945 120.1286 57.6437 41.1444 177.8145 50 M 4.4864 8.4625 120.1692 56.4077 31.3552 181.3625 51 G 4.1929 8.2013 109.0375 46.5937 0.0000 174.0550 52 L 4.8049 7.4422 122.5438 54.8699 43.5010 176.4334 53 E 5.1617 9.1147 118.8864 54.9903 34.7411 174.4713 54 V 4.7807 9.4604 122.3534 61.7273 32.7528 175.1808 55 V 4.3535 8.8541 129.4434 61.1437 33.2378 174.5677 56 L 4.3690 8.5867 130.3840 55.2968 42.2025 175.9469 57 L 4.5869 8.7231 126.5049 56.4609 43.2253 176.2862 58 N 4.8783 7.6864 112.8919 52.2471 40.3079 173.3157 59 A 5.3694 8.3855 120.1674 50.9776 22.6108 174.9427 60 Y 5.0360 9.5413 121.2057 56.3370 42.8745 173.5695 61 C 4.6269 7.8477 124.5826 57.6041 35.1077 172.2314 62 E 4.3098 8.9801 127.3108 54.4842 31.6407 173.8093 63 Y 4.5474 8.7321 127.1457 57.1635 38.8877 175.9224 64 K 4.5406 8.9858 130.2652 56.5352 34.3687 174.1883 65 K 4.6249 7.6710 118.9409 51.9206 35.6119 176.4761 66 P 4.5796 0.0000 0.0000 62.3437 32.7797 175.1838 67 L 4.4157 8.0773 119.3922 52.8838 44.6714 175.9106 68 F 5.3411 9.3525 121.7326 55.2465 42.5015 174.5591 69 Y 4.3839 8.7385 121.0566 59.6899 38.7704 176.2439 70 D 4.1749 8.1708 124.3335 54.0925 41.0818 173.5051 71 D 4.5173 7.9156 119.1586 55.1472 41.9098 175.4109 72 V 4.4002 8.4026 124.0457 61.9342 32.7003 174.7023 73 F 5.2549 8.7050 122.2682 55.3250 42.2320 173.0928 74 E 4.9388 9.2901 116.8359 54.6002 34.0184 175.0600 75 V 4.9112 9.0372 123.7067 61.7583 34.0643 174.0128 76 H 5.4125 9.6094 126.3811 54.4863 30.3601 173.5585 77 L 4.9568 8.9265 126.6383 53.6150 44.1934 174.9988 78 N 5.1941 8.5671 123.6981 52.0628 43.5343 174.3240 79 L 4.2870 8.4691 124.6468 54.8983 40.9730 175.7937 80 E 4.2505 9.4902 128.4640 57.5743 29.5961 177.2512 81 E 4.7685 7.8404 116.6128 54.8700 34.0502 176.8012 82 L 4.8014 8.4723 126.2070 55.2460 43.7760 175.6531 83 S 4.7972 8.8248 127.2148 56.8929 65.0616 172.6350 84 R 4.0332 8.4788 113.7900 60.1163 28.9891 173.7555 85 F 5.0440 8.1681 113.7277 57.4060 41.1820 174.4147 86 T 5.1148 7.6766 109.9797 60.0757 72.8376 172.5894 87 F 5.3493 8.5930 115.9545 55.8911 41.7226 173.2713 88 T 5.0769 9.1308 118.4431 61.8508 71.7656 173.0127 89 F 5.3834 9.0812 124.0361 55.6944 42.3179 174.7714 90 S 5.2278 8.6456 116.2984 56.9545 66.3011 172.4758 91 Y 5.3005 9.1780 117.5769 56.6861 42.8360 174.3765 92 I 4.7390 8.6119 122.0856 59.7193 41.5839 174.3660 93 V 4.6779 8.9717 128.1950 61.8179 32.9706 174.4348 94 F 5.4109 9.3051 127.4533 55.6211 41.8407 174.7426 95 K 4.7272 9.4186 124.7310 54.5886 34.7277 175.9692 96 E 3.8463 9.6221 129.0159 57.8513 26.8341 175.2332 97 D 4.2747 8.2762 113.9384 54.7330 39.2722 174.0013 98 I 4.4426 7.9217 121.5224 59.2462 38.6376 174.8459 99 A 4.0174 8.7819 128.4983 52.3940 18.2411 177.2158 100 V 4.2377 8.6591 116.2847 62.1460 33.4944 175.9035 101 A 4.6590 7.1733 119.6126 50.9706 22.2894 175.2935 102 K 4.9862 8.4355 118.7338 54.9181 36.7710 175.3947 103 A 4.9279 8.8315 124.1090 51.6259 23.3955 174.4285 104 N 5.7426 9.2254 115.2577 52.3987 41.1224 173.9149 105 T 5.2590 9.1997 110.0846 60.1386 72.8026 172.2963 106 K 4.8768 8.8705 125.6811 55.0896 34.8573 174.5132 107 H 5.3744 8.8256 123.2581 54.1438 33.5484 171.7934 108 C 5.3847 8.9385 114.1559 55.9328 33.8387 172.1432 109 M 5.3077 8.8642 120.7888 54.6385 34.9429 175.3483 110 V 5.0003 8.7632 123.1776 59.5458 36.2296 173.6571 111 K 5.0869 9.2876 129.9960 53.4815 34.6028 176.5332 112 N 4.3731 9.9351 126.0106 53.4147 34.7962 171.6658 113 G 4.0518 8.7665 110.4295 46.1335 0.0000 174.6147 114 K 4.6233 7.6011 120.7763 52.1911 34.6103 180.8200 115 I 4.3844 8.2565 122.3905 60.7369 38.2573 175.4145 116 V 4.7972 8.2576 122.9230 59.8139 34.9951 176.1868 117 S 4.1037 8.7758 119.9239 58.3799 63.0196 172.9195 118 I 3.7773 8.1408 124.5031 60.6830 37.3419 174.5571 119 P 4.2784 0.0000 0.0000 63.3466 32.0182 178.4408 120 K 3.9964 8.8362 128.2348 60.4050 31.3613 179.9331 121 E 4.2133 8.3064 120.5751 62.1881 29.6511 182.4075 122 V 4.0121 7.7986 120.7970 65.7838 31.8196 180.2441 123 L 4.3335 7.8989 123.4505 59.7580 40.7581 181.7598 124 E 4.4671 7.7425 119.0327 55.6806 30.2917 177.3832 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 P 0.00 4.61 0.00 1.87 1.90 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.60 0.00 3 F 8.97 4.65 0.00 3.26 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 4 I 7.88 4.57 1.63 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.26 0.77 0.00 0.00 5 Y 8.72 4.59 0.00 3.07 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 6 R 7.88 4.39 0.00 1.42 1.53 0.00 3.16 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 0.00 7 R 7.42 4.07 0.00 0.96 0.66 0.00 2.94 0.00 0.00 2.93 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.04 0.00 8 R 7.86 4.87 0.00 1.66 1.63 0.00 3.23 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 1.40 1.58 0.00 9 V 8.70 4.00 2.35 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 0.95 0.00 0.00 1.00 0.00 0.00 10 Q 9.26 4.80 0.00 1.47 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 11 F 9.19 3.74 0.00 2.61 2.99 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 12 Y 7.87 4.38 0.00 3.15 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 13 E 7.61 4.14 0.00 2.07 1.87 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 2.00 1.47 0.00 14 T 7.21 4.69 4.16 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 1.15 0.00 0.00 15 D 8.31 4.77 0.00 2.87 2.77 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 16 A 8.69 4.05 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 17 Q 8.42 4.00 0.00 2.02 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 18 G 8.73 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 0.00 0.00 0.00 19 I 7.15 4.95 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.81 1.09 0.00 0.00 20 V 8.14 4.13 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 0.44 0.00 0.00 0.85 0.00 0.00 21 H 8.88 4.35 0.00 3.20 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.77 4.18 0.00 2.60 2.84 0.00 5.51 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 23 S 7.71 4.46 0.00 4.15 4.19 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 24 N 8.26 4.19 0.00 2.52 2.19 0.00 0.00 6.89 7.04 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 25 Y 7.52 3.10 0.00 2.57 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 0.00 0.00 0.00 26 F 7.44 4.23 0.00 3.29 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 27 R 7.55 3.98 0.00 1.81 1.94 0.00 3.31 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 28 Y 7.59 4.42 0.00 2.66 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 29 F 7.85 4.41 0.00 2.75 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 0.00 0.00 0.00 30 E 8.28 3.99 0.00 2.24 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 0.00 2.34 2.39 0.00 31 E 8.20 3.87 0.00 1.96 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 2.40 2.71 0.00 32 A 7.75 3.46 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 0.00 0.00 0.00 0.00 0.00 33 R 8.36 3.73 0.00 2.05 1.94 0.00 3.25 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.90 0.00 34 G 8.10 3.63 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 0.00 35 E 8.33 4.12 0.00 2.31 2.46 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 2.52 2.81 0.00 36 F 8.35 2.66 0.00 2.72 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 37 L 7.88 3.58 0.00 1.86 1.87 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.08 3.90 0.00 2.03 2.05 0.00 3.14 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 39 S 7.79 4.18 0.00 3.75 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 40 K 6.99 4.26 0.00 1.44 1.61 0.00 1.45 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.70 0.73 7.81 41 G 7.96 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 *42 F 7.22 4.77 0.00 2.31 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 0.00 0.00 0.00 43 P 0.00 4.38 0.00 2.23 2.24 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 44 Y 8.89 4.51 0.00 3.08 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 45 S 8.12 4.05 0.00 4.05 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 46 K 7.69 3.94 0.00 1.91 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.36 7.81 47 M 8.10 4.42 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.66 0.00 48 R 7.61 4.61 0.00 1.85 1.97 0.00 3.26 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.40 0.00 49 D 8.19 4.64 0.00 2.68 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 50 M 8.46 4.49 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 51 G 8.20 4.19 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 0.00 52 L 7.44 4.80 0.00 1.79 1.67 0.96 0.83 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 53 E 9.11 5.16 0.00 1.61 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 2.13 2.10 0.00 54 V 9.46 4.78 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 0.97 0.00 0.00 1.21 0.00 0.00 55 V 8.85 4.35 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 0.99 0.00 0.00 56 L 8.59 4.37 0.00 1.70 1.55 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.72 4.59 0.00 1.54 1.65 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.69 4.88 0.00 2.80 2.85 0.00 0.00 5.88 7.00 0.00 0.00 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 A 8.39 5.37 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 60 Y 9.54 5.04 0.00 3.06 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 61 C 7.85 4.63 0.00 2.49 2.31 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 62 E 8.98 4.31 0.00 1.92 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 0.00 2.13 2.25 0.00 63 Y 8.73 4.55 0.00 2.68 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 64 K 8.99 4.54 0.00 1.51 1.68 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.29 1.23 7.81 65 K 7.67 4.62 0.00 1.70 1.53 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 0.98 7.81 66 P 0.00 4.58 0.00 1.63 1.98 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.01 0.00 67 L 8.08 4.42 0.00 1.47 1.33 0.68 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.35 5.34 0.00 2.96 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 69 Y 8.74 4.38 0.00 2.85 3.03 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 70 D 8.17 4.17 0.00 1.86 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 4.52 0.00 2.93 2.64 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 0.00 72 V 8.40 4.40 2.05 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 0.70 0.00 0.00 0.86 0.00 0.00 73 F 8.70 5.25 0.00 3.19 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 74 E 9.29 4.94 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 2.10 2.22 0.00 75 V 9.04 4.91 2.49 0.00 0.00 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 0.00 0.00 1.33 0.00 0.00 76 H 9.61 5.41 0.00 3.29 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.93 4.96 0.00 1.72 1.69 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.57 5.19 0.00 2.70 2.59 0.00 0.00 6.99 6.10 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 79 L 8.47 4.29 0.00 1.43 1.49 0.92 0.84 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 80 E 9.49 4.25 0.00 1.85 1.94 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 2.32 2.37 0.00 81 E 7.84 4.77 0.00 1.62 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 2.20 1.83 0.00 82 L 8.47 4.80 0.00 1.55 1.55 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.82 4.80 0.00 3.65 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.48 4.03 0.00 1.73 1.96 0.00 3.16 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 85 F 8.17 5.04 0.00 3.08 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 86 T 7.68 5.11 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 1.26 0.00 0.00 87 F 8.59 5.35 0.00 2.88 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 88 T 9.13 5.08 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 1.24 0.00 0.00 89 F 9.08 5.38 0.00 2.83 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 0.00 0.00 0.00 90 S 8.65 5.23 0.00 3.81 3.92 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 91 Y 9.18 5.30 0.00 2.23 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 92 I 8.61 4.74 1.77 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 1.05 0.73 0.09 0.00 0.00 93 V 8.97 4.68 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 1.00 0.00 0.00 1.25 0.00 0.00 94 F 9.31 5.41 0.00 2.93 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 9.42 4.73 0.00 1.77 1.67 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.42 7.81 96 E 9.62 3.85 0.00 2.18 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 2.26 2.29 0.00 97 D 8.28 4.27 0.00 2.81 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 98 I 7.92 4.44 2.12 0.00 0.00 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 1.30 1.25 0.96 0.00 0.00 99 A 8.78 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.66 4.24 2.27 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 0.64 0.00 0.00 0.94 0.00 0.00 101 A 7.17 4.66 0.94 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 0.00 102 K 8.44 4.99 0.00 1.61 1.61 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.23 7.81 103 A 8.83 4.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.23 5.74 0.00 2.92 2.95 0.00 0.00 6.91 7.01 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 0.00 105 T 9.20 5.26 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 1.50 0.00 0.00 106 K 8.87 4.88 0.00 1.80 1.60 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.24 1.29 7.81 107 H 8.83 5.37 0.00 1.57 2.74 0.00 5.61 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.94 5.38 0.00 3.07 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 0.00 109 M 8.86 5.31 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.71 0.00 110 V 8.76 5.00 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 0.67 0.00 0.00 0.93 0.00 0.00 111 K 9.29 5.09 0.00 1.80 1.71 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.21 7.81 112 N 9.94 4.37 0.00 2.92 2.72 0.00 0.00 7.08 7.51 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 0.00 113 G 8.77 4.05 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 0.00 114 K 7.60 4.62 0.00 1.70 1.65 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.20 7.81 115 I 8.26 4.38 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.42 0.81 0.00 0.00 116 V 8.26 4.80 2.19 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 0.84 0.00 0.00 1.03 0.00 0.00 117 S 8.78 4.10 0.00 3.40 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 0.00 118 I 8.14 3.78 1.85 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.88 0.00 0.00 119 P 0.00 4.28 0.00 2.17 2.00 0.00 3.64 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 120 K 8.84 4.00 0.00 1.76 1.82 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.08 7.81 121 E 8.31 4.21 0.00 2.06 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 0.00 2.24 1.97 0.00 122 V 7.80 4.01 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 0.94 0.00 0.00 0.93 0.00 0.00 123 L 7.90 4.33 0.00 1.73 1.63 0.92 1.09 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 0.00 124 E 7.74 4.47 0.00 1.90 1.70 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 2.15 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.