NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.7076 8.2833 119.2050 52.5950 39.4862 174.5848 8 P 4.0758 0.0000 0.0000 65.3485 31.4594 177.0232 9 Q 4.2173 8.2726 115.1144 57.5776 29.6468 176.4131 10 D 4.6854 8.0173 116.5389 53.3642 40.3589 181.3054 11 E 4.6921 7.8299 118.3341 54.8007 31.1098 174.3778 12 P 4.4656 0.0000 0.0000 62.2852 32.1795 176.4073 13 L 4.2892 8.3196 120.9225 55.1918 42.4065 177.2698 14 H 4.8640 9.0361 118.5621 54.9098 31.2213 176.1076 15 Y 4.3304 8.8872 119.0441 61.3586 37.5126 179.4516 16 G 3.8198 8.3484 107.4088 47.3622 0.0000 175.3737 17 E 3.9117 7.9568 120.8465 59.0126 29.4185 179.5127 18 V 3.6041 7.9210 118.0555 66.0828 31.5950 177.8650 19 F 4.1122 8.5391 120.6462 61.3966 39.1592 177.2975 20 S 4.1158 8.6526 115.4873 61.7397 62.6150 176.8164 21 T 4.0370 8.0278 112.5905 64.5233 68.5477 176.3568 22 W 4.0842 8.4847 131.5629 60.5681 30.7023 178.0910 23 T 3.7087 8.3020 115.9514 66.5873 67.7313 176.0244 24 Y 3.9114 8.2795 121.6735 60.5692 38.8031 177.8948 25 L 3.8894 8.1883 121.2663 58.2258 42.2134 178.8211 26 S 3.6823 7.6875 113.0389 61.4654 62.0952 176.1176 27 T 3.6627 7.9695 118.7120 66.7104 68.1724 176.1251 28 N 3.9806 7.9494 118.3569 56.3941 38.6518 177.1065 29 N 4.2768 8.1406 117.9479 56.2671 38.5165 177.7518 30 G 3.4310 7.9039 106.9870 47.6944 0.0000 175.8787 31 L 3.5177 7.8770 121.7471 57.1006 41.4122 179.4523 32 I 3.4245 7.7108 120.2717 64.3187 37.0890 177.9193 33 N 4.2600 7.8104 117.2468 56.6389 38.7712 177.1443 34 G 3.2384 7.9458 107.2267 47.9559 0.0000 175.3282 35 Y 4.3263 8.2425 119.6080 60.8062 37.6243 178.5556 36 R 4.0818 8.0590 118.6302 59.1681 30.3832 178.7878 37 S 4.2685 7.8849 112.9299 61.4715 62.4496 176.0870 38 F 4.5759 8.3422 120.9242 60.7955 38.0298 177.5246 39 I 3.7752 8.1901 119.5967 64.7772 36.7379 178.1584 40 N 4.5066 8.1838 115.6907 55.8921 38.4541 176.3422 41 H 4.5951 8.1019 115.7064 55.7695 29.6776 175.3001 42 T 4.5938 7.1528 117.3957 62.5152 69.6796 174.8107 43 G 3.8044 8.8919 114.8991 47.7159 0.0000 174.8184 44 D 4.4707 8.0821 120.7580 54.0503 42.2472 176.9137 45 E 4.0966 8.8700 126.6651 59.3348 29.5277 179.0035 46 D 4.3674 8.1822 118.8979 57.1190 40.9195 178.2996 47 L 4.0323 8.5948 121.1009 57.9818 42.0847 178.7345 48 K 3.9098 8.2194 119.6278 59.7879 32.0962 178.4128 49 N 4.3685 8.3640 116.6017 56.4153 38.3818 177.4492 50 L 4.2495 7.9087 120.2101 57.6436 41.6031 179.6147 51 I 3.7741 8.0929 120.0762 64.5280 37.0865 178.0971 52 D 4.3866 8.4013 119.9142 57.3749 40.5523 178.5614 53 E 3.9485 8.3734 119.5746 59.1283 29.4542 178.6532 54 A 3.4241 8.1389 120.1060 55.0476 18.5042 179.2337 55 I 3.7207 7.7477 117.1916 64.6886 37.5206 178.1564 56 Q 4.2572 8.1255 120.0030 58.9125 28.8065 178.4872 57 A 3.9923 7.8619 118.3348 53.1294 18.1455 178.9428 *59 Q 4.1464 8.0395 121.5853 57.5187 30.6191 177.6665 60 D 4.2965 8.1838 117.6736 57.2670 40.7048 178.4790 61 E 3.6205 7.9864 119.0565 59.5231 29.4009 179.1671 62 N 4.2792 8.0227 115.8000 56.5695 38.7003 176.6270 63 H 4.0786 8.2603 119.5628 59.4491 29.9501 177.4108 64 Q 4.0378 7.8915 118.9845 58.9231 28.5034 178.6165 65 L 4.0795 8.2419 120.1892 57.9617 41.6874 179.5014 66 E 3.9605 8.7076 118.9609 59.2571 29.3647 179.0393 67 E 3.9396 8.1031 119.2153 58.9211 29.8315 178.5570 68 L 3.9393 7.9965 120.3760 58.2984 42.2334 179.0477 69 L 4.1388 8.2032 119.0705 57.9533 41.3508 179.7888 70 R 4.0026 8.2899 117.4082 59.1883 30.0945 178.6762 71 S 4.4740 8.0466 112.7075 59.6151 63.0121 174.4880 72 N 4.9167 7.2156 117.1110 52.3960 39.1938 174.3353 73 G 3.8394 8.2301 104.8925 46.9893 0.0000 174.1825 74 V 4.3369 7.6890 118.8359 60.0033 33.5199 175.4469 75 G 3.8178 8.6367 116.2901 45.6985 0.0000 172.8585 76 L 4.5147 8.2982 123.0220 52.8538 42.9065 175.0837 77 P 4.5398 0.0000 0.0000 61.5498 32.0885 174.3448 78 P 4.2948 0.0000 0.0000 62.5618 32.0633 175.3707 79 A 4.5612 8.1255 124.6147 49.5410 20.7355 175.0872 80 P 4.3256 0.0000 0.0000 61.7818 31.9762 174.6726 81 P 4.4753 0.0000 0.0000 61.8019 32.2892 175.1293 82 D 4.5576 8.2793 118.3233 54.2342 41.7795 174.9610 83 R 4.7206 7.9695 120.0675 53.2307 33.3317 174.1987 84 P 4.4320 0.0000 0.0000 62.1631 32.1640 176.1020 85 A 4.3402 8.2531 121.8079 52.2922 18.9895 176.9178 86 A 4.7410 8.1876 121.4138 50.3098 22.6528 176.2012 87 R 4.2616 8.3427 119.5453 55.1730 31.5166 177.3863 88 L 3.9322 8.8210 124.9583 58.5058 42.0458 178.5632 89 D 4.5568 7.9933 115.1944 56.2135 40.8948 176.5235 90 D 4.5856 7.8388 117.9472 54.5852 41.2988 176.3401 91 I 4.0828 7.3908 121.5346 59.4230 37.7713 174.1463 92 P 4.2798 0.0000 0.0000 62.6365 32.1274 177.3244 93 V 3.5182 8.7182 122.3249 66.1247 31.4522 178.3059 94 G 3.5961 8.0512 106.1395 47.4127 0.0000 173.5739 95 A 4.3422 7.7957 121.3219 51.9009 19.8011 176.8042 96 R 4.3725 7.4057 117.0419 55.1624 30.9457 175.5164 97 F 4.4649 8.8772 123.8037 56.5312 40.4140 175.8617 98 N 4.7845 8.2805 122.1884 51.7426 41.3903 176.0755 99 D 3.9668 8.1998 121.9778 57.1987 40.8941 177.5019 100 P 2.9967 0.0000 0.0000 65.2041 31.2573 178.5401 101 E 3.8739 7.6803 116.7920 58.9110 29.4570 179.1927 102 I 2.8566 7.3968 120.1142 64.0717 36.9979 178.2779 103 S 3.9530 7.7383 113.7625 61.2241 61.9804 175.8682 104 A 3.9686 7.6781 122.2160 55.5372 18.1761 179.3884 105 T 3.9874 7.5702 112.6629 66.9946 68.8006 176.6069 106 I 4.2259 7.6413 122.8669 63.8265 37.0404 179.3477 107 S 4.4456 8.1844 113.2216 59.3637 62.4455 175.9688 *109 D 4.6013 8.0403 123.5980 54.5608 42.9119 178.1427 110 V 3.6471 8.2885 118.0978 66.0060 31.3677 177.7704 111 A 4.0641 8.1629 120.4503 55.3122 18.1354 179.7697 112 K 4.0873 8.1684 116.5368 59.5974 32.1106 179.6629 113 G 3.7045 8.5404 106.3435 47.6095 0.0000 175.6596 114 L 4.0773 8.1014 121.2741 57.7562 41.6265 179.7532 115 V 3.6560 7.6300 118.0381 66.3973 31.5175 178.0904 116 T 3.9289 8.2679 115.5880 66.8837 68.2944 176.1489 117 C 4.2234 8.6236 118.8345 63.3101 28.2564 176.5587 118 S 4.1494 8.2691 116.4482 61.5684 62.2601 176.7123 119 Q 4.0090 8.3926 121.0213 59.1278 28.2627 179.1215 120 I 3.5451 7.4669 119.3936 64.1752 37.4109 178.1882 121 I 3.9221 7.8685 120.8633 64.5232 36.7875 178.7290 122 G 3.7179 8.0413 105.1618 47.1527 0.0000 174.6087 123 Q 4.4035 7.7975 117.4348 55.5049 29.3925 175.8221 124 S 4.5926 7.2675 117.4813 58.7557 63.5956 173.8542 125 I 4.3259 9.0060 124.4969 62.3308 39.2129 176.8347 126 R 4.1734 8.1399 120.1549 55.6138 30.6027 177.2538 127 E 4.0212 8.9250 123.3998 59.3463 29.2419 179.0308 128 D 4.3318 7.9860 118.2378 56.3276 39.5131 178.4801 129 V 3.7170 7.4219 118.5865 65.6947 31.8457 177.4663 130 A 4.2282 7.9746 120.0325 55.0501 18.2998 180.1931 131 L 4.2760 7.9063 116.8100 55.1566 41.7450 179.3304 *133 F 3.9598 8.1302 119.6784 57.3548 41.0764 177.5817 134 S 4.0904 8.2254 114.2986 61.3684 62.1620 175.7201 135 Q 4.1268 7.7915 120.9947 59.2208 29.1297 177.6985 136 F 4.6101 8.0337 118.3742 60.8461 38.8490 177.9630 137 H 4.4065 8.5551 115.6211 56.6448 29.6194 176.6785 *139 A 4.2931 7.9955 123.8396 51.5844 20.4640 179.8657 140 K 4.1365 8.2836 116.4456 59.3419 32.1463 179.2426 141 V 3.6060 8.0900 119.0157 66.1382 31.4497 178.0697 142 Q 4.0238 8.0857 117.2341 58.9249 28.4166 178.3634 143 F 4.0863 8.2187 120.8183 61.1819 39.5269 177.0109 144 G 3.9021 8.4896 104.9166 47.8374 0.0000 175.5601 145 G 3.7887 8.1807 107.9749 47.2327 0.0000 176.4873 146 K 3.9847 7.6709 118.6428 56.4586 31.8195 178.7377 *148 L 4.2091 7.8948 122.9424 55.1307 44.0000 178.8072 149 K 3.8638 8.0562 117.8929 59.2760 31.8092 178.8348 150 L 3.7645 7.8859 120.4378 58.4274 41.9913 178.8357 151 N 4.3791 8.0911 115.6729 56.1588 38.3979 177.4488 152 K 3.9051 8.1853 119.9130 59.6283 31.9876 179.1529 153 N 4.2187 8.1162 115.6205 56.0955 38.5493 177.1124 154 K 3.7394 7.6713 117.8499 56.1172 32.0864 177.6140 155 G 3.8075 7.2261 106.7709 46.2925 0.0000 174.6180 156 W 4.7714 7.9114 119.9472 56.9956 29.7487 176.7936 157 L 4.2025 7.8080 121.0788 54.5505 42.1087 175.7520 158 I 4.2050 8.2480 127.3811 59.4641 37.9459 173.6925 159 P 4.3946 0.0000 0.0000 61.6928 31.8545 174.6725 160 P 4.6040 0.0000 0.0000 60.5970 32.5879 173.8234 161 P 4.2860 0.0000 0.0000 63.2409 31.2886 175.5383 162 L 4.7574 8.1466 121.0015 52.8717 44.0804 175.7032 163 H 4.3654 8.6766 122.0015 56.0746 30.5127 174.6260 164 S 4.5028 8.4079 125.0114 57.6961 63.7795 174.6019 165 D 4.4876 8.5143 123.4317 53.2950 39.6980 172.6318 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 7 N 8.28 4.71 0.00 2.82 2.81 0.00 0.00 7.08 6.82 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 8 P 0.00 4.08 0.00 2.39 2.09 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 9 Q 8.27 4.22 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 10 D 8.02 4.69 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.83 4.69 0.00 2.02 1.91 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 2.28 2.31 0.00 12 P 0.00 4.47 0.00 2.22 2.08 0.00 3.79 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 2.01 2.01 0.00 13 L 8.32 4.29 0.00 1.69 1.66 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 H 9.04 4.86 0.00 3.41 3.47 0.00 5.48 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.89 4.33 0.00 2.97 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 16 G 8.35 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 17 E 7.96 3.91 0.00 2.06 1.96 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 2.28 1.98 0.00 18 V 7.92 3.60 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 1.03 0.00 0.00 0.95 0.00 0.00 19 F 8.54 4.11 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 20 S 8.65 4.12 0.00 3.94 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 21 T 8.03 4.04 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 1.37 0.00 0.00 22 W 8.48 4.08 0.00 3.45 3.29 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 23 T 8.30 3.71 4.20 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 1.15 0.00 0.00 24 Y 8.28 3.91 0.00 3.21 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 25 L 8.19 3.89 0.00 1.88 1.74 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.69 3.68 0.00 2.98 3.46 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 27 T 7.97 3.66 4.07 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 0.00 0.00 0.00 1.00 0.00 0.00 28 N 7.95 3.98 0.00 2.78 2.68 0.00 0.00 7.09 7.64 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 29 N 8.14 4.28 0.00 2.71 2.71 0.00 0.00 6.96 7.60 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 30 G 7.90 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 0.00 0.00 0.00 31 L 7.88 3.52 0.00 1.18 0.71 0.68 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.71 3.42 1.83 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 1.24 0.50 0.81 0.00 0.00 33 N 7.81 4.26 0.00 2.74 2.82 0.00 0.00 7.16 7.55 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 34 G 7.95 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 0.00 0.00 0.00 35 Y 8.24 4.33 0.00 2.86 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 36 R 8.06 4.08 0.00 1.95 1.99 0.00 3.20 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 37 S 7.88 4.27 0.00 3.85 3.81 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 38 F 8.34 4.58 0.00 3.16 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 I 8.19 3.78 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.14 0.95 0.00 0.00 40 N 8.18 4.51 0.00 2.98 2.91 0.00 0.00 7.06 8.23 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 41 H 8.10 4.60 0.00 3.43 3.67 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.15 4.59 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 1.33 0.00 0.00 43 G 8.89 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 0.00 0.00 0.00 44 D 8.08 4.47 0.00 3.12 2.80 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 45 E 8.87 4.10 0.00 2.04 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 2.42 2.36 0.00 46 D 8.18 4.37 0.00 2.84 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 47 L 8.59 4.03 0.00 2.06 1.97 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.22 3.91 0.00 2.09 1.97 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.54 7.81 49 N 8.36 4.37 0.00 2.98 2.89 0.00 0.00 7.06 6.35 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 50 L 7.91 4.25 0.00 1.85 1.83 0.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.09 3.77 2.03 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 1.42 0.85 1.02 0.00 0.00 52 D 8.40 4.39 0.00 2.90 2.75 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 53 E 8.37 3.95 0.00 2.24 2.38 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 2.40 2.40 0.00 54 A 8.14 3.42 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 55 I 7.75 3.72 2.03 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 1.43 0.82 0.92 0.00 0.00 56 Q 8.13 4.26 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.05 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 57 A 7.86 3.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 4.15 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 60 D 8.18 4.30 0.00 2.77 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 61 E 7.99 3.62 0.00 1.66 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 1.47 2.03 0.00 62 N 8.02 4.28 0.00 2.91 2.82 0.00 0.00 6.71 8.16 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 63 H 8.26 4.08 0.00 3.31 3.43 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 64 Q 7.89 4.04 0.00 2.50 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 65 L 8.24 4.08 0.00 1.88 1.81 1.22 1.19 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 66 E 8.71 3.96 0.00 1.98 1.97 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 2.30 2.44 0.00 67 E 8.10 3.94 0.00 2.05 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 2.29 2.35 0.00 68 L 8.00 3.94 0.00 1.90 1.88 0.93 0.49 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 69 L 8.20 4.14 0.00 1.77 1.93 1.07 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.29 4.00 0.00 1.81 2.00 0.00 3.15 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 71 S 8.05 4.47 0.00 3.87 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 72 N 7.22 4.92 0.00 2.90 2.79 0.00 0.00 6.94 7.53 0.00 0.00 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 G 8.23 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 0.00 0.00 0.00 74 V 7.69 4.34 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 0.90 0.00 0.00 1.01 0.00 0.00 75 G 8.64 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 76 L 8.30 4.51 0.00 1.67 1.58 0.91 1.09 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 77 P 0.00 4.54 0.00 1.67 0.75 0.00 3.56 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.98 0.00 78 P 0.00 4.29 0.00 2.18 2.09 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 79 A 8.13 4.56 1.20 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 80 P 0.00 4.33 0.00 1.97 1.93 0.00 3.56 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 1.92 2.00 0.00 81 P 0.00 4.48 0.00 2.15 2.04 0.00 3.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 82 D 8.28 4.56 0.00 2.63 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 83 R 7.97 4.72 0.00 1.78 1.77 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 84 P 0.00 4.43 0.00 2.18 2.05 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 1.99 1.96 0.00 85 A 8.25 4.34 1.27 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 0.00 0.00 86 A 8.19 4.74 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 87 R 8.34 4.26 0.00 2.10 1.86 0.00 3.27 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.18 0.00 88 L 8.82 3.93 0.00 1.72 1.68 0.98 1.29 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 89 D 7.99 4.56 0.00 2.71 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 90 D 7.84 4.59 0.00 2.85 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 91 I 7.39 4.08 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.87 0.00 0.00 92 P 0.00 4.28 0.00 2.15 1.97 0.00 3.60 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 2.11 2.08 0.00 93 V 8.72 3.52 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 0.94 0.00 0.00 0.91 0.00 0.00 94 G 8.05 3.60 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 0.00 0.00 0.00 95 A 7.80 4.34 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 96 R 7.41 4.37 0.00 1.77 2.00 0.00 3.31 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.57 3.99 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 1.44 0.00 0.00 106 I 7.64 4.23 1.91 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.94 1.01 0.00 0.00 107 S 8.18 4.45 0.00 4.02 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 *109 D 8.04 4.60 0.00 3.09 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 0.00 110 V 8.29 3.65 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 1.18 0.00 0.00 1.32 0.00 0.00 111 A 8.16 4.06 1.43 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 0.00 0.00 112 K 8.17 4.09 0.00 2.01 1.91 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.55 7.81 113 G 8.54 3.70 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 0.00 0.00 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0.00 0.00 0.00 0.00 1.53 1.51 7.81 141 V 8.09 3.61 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 1.01 0.00 0.00 0.94 0.00 0.00 142 Q 8.09 4.02 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 143 F 8.22 4.09 0.00 3.09 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 0.00 144 G 8.49 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 0.00 0.00 0.00 145 G 8.18 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 0.00 146 K 7.67 3.98 0.00 1.59 1.59 0.00 1.67 0.00 0.00 1.43 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.51 7.81 *148 L 7.89 4.21 0.00 1.72 1.84 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.06 3.86 0.00 1.94 1.78 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.50 7.81 150 L 7.89 3.76 0.00 1.76 1.62 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.09 4.38 0.00 2.94 2.94 0.00 0.00 7.04 7.75 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 0.00 152 K 8.19 3.91 0.00 1.89 1.80 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.61 7.81 153 N 8.12 4.22 0.00 2.59 2.71 0.00 0.00 7.15 7.32 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 0.00 154 K 7.67 3.74 0.00 0.79 0.74 0.00 1.26 0.00 0.00 1.25 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.88 0.21 7.81 155 G 7.23 3.81 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 0.00 0.00 0.00 156 W 7.91 4.77 0.00 3.38 3.07 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 0.00 0.00 0.00 0.00 157 L 7.81 4.20 0.00 1.62 1.60 0.95 1.03 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 0.00 158 I 8.25 4.21 1.89 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 1.50 0.71 0.93 0.00 0.00 159 P 0.00 4.39 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 160 P 0.00 4.60 0.00 2.21 2.13 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 161 P 0.00 4.29 0.00 2.21 2.13 0.00 3.73 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 2.00 2.01 0.00 162 L 8.15 4.76 0.00 1.64 1.61 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 163 H 8.68 4.37 0.00 3.07 3.23 0.00 5.91 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.41 4.50 0.00 3.81 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 0.00 165 D 8.51 4.49 0.00 2.69 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 * Residues marked with a * may have inaccurate shift predictions.