NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0851 8.2133 109.7467 45.4047 0.0000 175.9429 3 N 4.8802 8.1214 120.7281 54.5833 38.5077 175.2164 4 I 3.7112 8.3747 122.7793 64.0996 37.5835 177.7805 5 F 4.2661 7.8350 118.4553 60.5689 38.8554 177.6069 6 S 3.8946 7.9661 113.4053 61.7109 62.4922 176.7297 7 S 4.5597 8.2370 119.4818 60.8517 62.8380 176.4358 8 M 4.1444 8.0623 121.4894 58.4804 31.8051 178.7809 9 F 4.5140 8.2320 117.2952 59.9521 38.9491 177.1606 10 D 4.8000 8.4109 118.6099 56.4514 40.4026 177.9352 11 K 4.3387 8.0042 117.8305 57.7589 32.4711 177.8058 12 L 4.5997 7.9065 119.2081 53.1451 42.0428 175.6815 13 W 4.2637 7.7834 130.6095 57.7198 31.1940 175.2675 14 G 3.6895 8.1926 114.3222 45.6753 0.0000 174.6191 15 S 4.0353 7.5183 114.4343 58.7096 62.9997 174.9079 16 N 4.5222 8.7541 122.1213 54.3083 37.2782 175.5042 17 K 4.5450 7.5433 119.7364 52.9250 35.9862 180.4356 18 E 4.1560 8.7953 122.4599 56.7640 29.9239 176.7952 19 L 4.6633 8.4722 123.1770 53.6426 44.1977 175.5290 20 R 5.1116 8.4301 121.1911 54.6771 33.5796 174.0985 21 I 5.0989 9.1295 126.2774 59.5184 40.9272 174.1374 22 L 4.8638 8.5834 126.7435 53.0516 44.2244 175.5499 23 I 4.5919 8.8323 125.6964 59.9341 38.5821 174.7292 24 L 4.7323 9.8719 126.8779 52.0888 46.0326 175.9774 25 G 4.2753 8.3163 106.3577 43.5901 0.0000 172.5880 26 L 4.5349 7.7811 120.4378 54.2927 42.1519 177.2123 27 D 5.2623 7.8635 120.6074 54.2680 39.4154 176.9914 28 G 3.9708 8.8273 107.7283 45.8061 0.0000 175.6048 29 A 3.5427 7.3471 121.6508 53.8984 18.7211 178.3804 30 G 4.0441 7.7150 104.5120 45.7962 0.0000 176.1199 31 K 3.8659 8.2722 119.9284 59.4864 31.9928 178.6749 32 T 3.9357 7.9340 115.3412 67.2668 68.3305 175.9713 33 T 3.8463 7.9477 116.6448 67.0386 68.2501 176.0198 34 I 3.6005 7.3034 119.4685 64.4192 36.9382 177.8069 35 L 4.0347 7.9709 120.7770 58.6077 41.5959 178.7318 36 Y 3.9304 8.5895 116.3874 60.3965 37.5099 178.0171 37 R 3.9383 8.0807 119.9720 59.3978 30.1663 177.3689 38 L 3.3505 7.1971 116.7088 56.2298 41.8804 177.4394 39 Q 3.4547 7.6041 115.1338 56.8939 26.6785 172.7260 40 I 4.6072 7.3628 107.9735 58.9822 41.4361 175.4267 41 G 3.6767 8.5596 109.0948 47.2055 0.0000 172.6529 42 E 4.8269 7.9493 116.3626 54.7323 33.5924 171.5952 43 V 4.9318 8.2079 114.7150 59.5463 34.4522 175.7231 44 V 4.5357 8.6622 117.1071 60.0550 36.0052 174.4464 45 T 5.0513 8.6006 121.5412 62.7525 69.8694 174.2541 46 T 4.6601 9.1942 117.6508 60.3435 72.6791 173.7285 47 K 5.0624 8.4712 125.0394 51.6345 30.8522 174.2823 48 P 4.3451 0.0000 0.0000 65.7749 31.4649 177.4498 49 T 4.6290 7.7857 113.2927 60.6821 71.1783 173.4325 50 I 4.0535 8.2100 121.8014 61.7356 38.9075 175.3122 51 G 4.0615 8.6284 112.4388 45.6925 0.0000 174.1779 52 F 4.9285 7.7583 119.3495 57.1721 42.0891 171.7634 53 N 5.2178 8.6377 125.4751 51.3910 41.2871 173.8444 54 V 4.4203 8.4697 124.5702 60.9870 34.1772 173.7488 55 E 4.8450 8.9179 128.9774 54.9277 31.5766 174.3739 56 T 5.0306 8.7731 123.8451 61.6629 71.7719 172.6722 57 L 4.8886 9.0096 129.2606 53.3801 44.2610 174.7292 58 S 5.1076 9.0263 122.0337 56.7808 64.3108 171.9311 59 Y 4.4028 8.4784 131.0960 57.9566 41.3950 177.5973 60 K 4.6374 7.5967 125.8154 54.7243 27.9347 170.5540 61 N 4.7449 8.6765 121.2351 52.4626 38.5260 173.3096 62 L 5.3530 9.0508 117.2062 53.5457 46.2019 175.4817 63 K 5.0348 9.0272 120.2593 54.6616 36.0373 175.1104 64 L 5.1344 9.2233 125.0431 52.9843 44.3262 175.1293 65 N 5.3903 9.2137 121.6496 51.2941 42.1556 173.7199 66 V 4.8705 9.0686 123.0212 59.6151 34.4927 174.2013 67 W 5.5906 7.8157 123.6589 54.8113 31.4536 174.4081 68 D 4.8390 9.0354 121.4770 54.5460 41.7355 175.0756 69 L 4.9482 8.4059 122.3619 54.2748 43.6153 177.4797 70 G 4.1397 9.2303 113.6142 48.1950 0.0000 174.6240 *75 I 3.3605 7.1486 121.7684 58.8933 37.4253 177.3372 76 R 3.3655 6.3539 122.9336 56.1445 30.1103 174.9172 77 P 4.1956 0.0000 0.0000 65.9883 30.7290 178.0550 *78 Y 3.9364 7.1384 120.2511 61.3476 36.6357 183.5049 79 W 4.3132 7.8652 121.2344 60.8595 29.4053 179.4475 80 R 2.7237 7.3942 119.2120 61.3148 28.4873 180.0851 81 C 4.2937 7.0363 113.6733 62.7518 27.7714 174.6582 82 Y 4.6493 8.2174 118.0503 59.2900 38.3549 177.3587 83 Y 4.2952 7.3365 116.2786 61.1282 37.6273 177.0383 84 A 4.0420 7.6116 122.1974 55.6880 18.6946 177.5359 85 D 4.6684 7.9687 111.4585 53.3613 40.4635 176.5994 86 T 4.2879 7.5303 117.3555 64.6205 68.9808 173.6676 87 A 4.5884 9.3806 128.7896 52.8251 20.9703 176.0986 88 A 4.8993 7.2929 115.2085 51.5803 22.7083 175.4507 89 V 4.7958 8.4726 118.7668 60.0296 34.8590 174.8237 90 I 4.5461 9.1493 125.7212 59.9006 38.8262 174.6395 91 F 5.0323 9.4175 131.9831 56.8911 40.4365 174.6816 92 V 4.3167 8.3392 128.3376 61.7500 32.8978 174.6833 93 V 4.2239 8.3250 128.0917 60.8011 34.2706 173.8524 94 D 4.8149 8.6611 127.9723 54.0822 41.2041 176.0968 95 S 4.4654 9.2950 123.3344 59.4207 63.8545 175.2816 96 T 4.9690 8.9575 112.1708 60.5717 69.1404 175.5209 97 D 4.7233 7.6438 121.2007 54.6248 42.1035 175.7509 98 K 4.0156 8.0216 122.9501 56.9921 32.2144 179.0398 99 D 4.4598 7.5149 118.0124 56.9658 40.3881 177.8516 100 R 4.0470 8.5718 122.3482 59.0646 30.7602 178.2932 101 M 3.9778 7.9283 121.2406 59.6399 31.7749 179.0963 102 S 4.1304 7.8177 117.2451 63.7251 62.8796 178.2879 103 T 4.2106 8.1043 119.0341 66.6994 68.1478 175.6699 104 A 4.1467 8.3557 122.2957 55.8853 18.2076 179.3204 105 S 4.1287 8.1271 110.5787 62.2402 62.2912 175.9677 106 K 4.0903 8.4224 122.3666 58.6697 31.7718 178.2793 107 E 4.0029 8.2752 118.0547 59.7913 29.5681 179.5482 108 L 3.4298 8.3327 120.4238 58.3136 41.8358 178.8209 109 H 4.0742 8.0659 115.0345 58.3586 28.9153 177.4514 110 L 4.1341 7.8878 120.5061 58.2902 41.4756 178.5293 111 M 4.0196 8.1221 120.2405 59.5994 31.9390 178.4189 112 L 4.1817 8.1792 123.1173 58.5333 41.1607 180.7299 113 Q 4.5742 7.6191 119.0549 57.4013 29.5630 180.8330 114 E 4.2749 7.8917 123.0602 57.4827 30.7394 178.2145 115 E 4.1385 8.8567 121.0273 59.1253 30.0669 178.9188 116 E 4.2071 8.2239 117.5613 58.5504 29.8062 177.4611 117 L 4.5275 7.6397 119.8848 55.1632 41.7416 178.8161 118 Q 4.0271 7.7848 120.2317 57.7590 27.8768 181.4402 119 D 4.8370 7.8882 113.9704 53.7085 42.4083 176.3275 120 A 4.3320 7.4265 121.2996 52.6940 18.8122 177.4286 121 A 4.5685 8.6279 123.0730 51.3725 20.6853 176.0365 122 L 5.2611 9.8650 122.9042 53.1510 45.4325 174.9807 123 L 5.1014 8.8927 127.7168 53.3712 44.9972 174.8727 124 V 4.7353 8.9241 126.9700 61.4192 34.0979 174.5834 125 F 5.4884 9.4220 127.3500 55.7488 40.3742 174.5795 126 A 4.8694 9.0557 127.3455 52.2766 16.6970 176.0267 127 N 5.0498 9.0762 120.3733 52.4386 41.5869 174.6984 128 K 4.1595 8.5662 118.4900 57.4289 28.9342 178.5617 129 Q 4.0581 7.9767 119.7757 58.3316 28.6589 177.7317 130 D 4.4911 7.9045 116.3138 55.1582 40.0628 176.7740 131 Q 4.2529 7.7839 119.1055 54.3544 29.4971 173.9838 132 P 4.1693 0.0000 0.0000 63.8936 31.9966 176.7028 133 G 3.5422 8.8273 112.2040 46.5507 0.0000 173.4394 134 A 4.9014 7.6022 118.9361 49.5086 21.1250 177.9670 135 L 4.5630 8.8288 123.2295 54.6156 42.4580 177.7884 136 S 4.3381 8.9847 116.5620 58.2369 63.8348 174.8478 137 A 4.1127 8.8131 121.3515 55.6030 18.0186 179.6474 138 S 4.0812 8.1831 110.7206 61.7814 62.2047 176.2634 139 E 3.9897 8.5727 121.6732 59.1795 29.1589 179.3385 140 V 3.7211 8.1418 118.7779 65.6826 31.5502 177.9823 141 S 4.2719 8.3260 114.8395 61.4636 62.1031 176.8541 142 K 4.0740 7.8062 126.6555 59.5909 31.6118 183.2434 143 E 4.3662 8.0148 117.8530 57.8507 29.4279 178.1754 144 L 4.6348 7.5227 118.4011 52.6115 43.0791 176.3531 145 N 4.2279 7.9531 115.6218 53.9490 36.6392 176.0458 146 L 3.5722 7.2226 120.7683 57.1493 41.8729 180.0366 147 V 3.4703 7.5287 120.0857 66.2662 31.6665 177.6765 148 E 4.0172 8.3697 117.6775 58.7077 29.7731 180.0660 149 L 4.0041 7.0353 120.1171 55.2953 41.1969 181.7069 150 K 4.6694 8.0975 126.3579 53.1028 36.2084 173.0182 151 D 4.4900 8.5438 115.7867 53.1601 36.5209 174.8081 152 R 4.3745 7.1706 115.8731 55.6903 33.3368 173.9149 153 S 4.8057 8.4472 121.7575 57.9068 63.4319 172.9705 154 W 6.2469 8.2749 120.8328 53.9349 31.7556 174.2675 155 S 3.4725 7.9393 111.2611 57.1828 64.6075 173.8607 156 I 4.9677 7.8664 124.5747 59.3887 41.1929 174.6322 157 V 4.5795 8.5540 125.4102 61.2648 35.4349 173.8226 158 A 4.8509 8.7644 129.3995 52.2419 19.7412 176.2611 159 S 4.8030 9.1305 114.6818 57.2383 66.8983 173.9162 160 S 4.7420 8.7469 115.9765 56.1035 63.1919 174.4865 161 A 3.7779 7.9411 127.9275 55.3343 18.8373 179.8390 162 I 3.5666 8.0639 116.3549 64.7959 37.4760 177.1318 163 K 4.2990 8.3794 119.4835 53.7117 31.3021 179.0666 164 G 4.4570 8.8152 107.5392 47.2715 0.0000 173.3321 165 E 4.2627 7.5408 120.2345 56.9595 30.0877 176.5614 166 G 4.2936 9.1950 111.1278 47.2412 0.0000 175.1599 167 I 3.5748 7.1988 120.9033 64.9448 37.0144 178.4863 168 T 4.1487 8.0042 115.5039 66.7701 68.2917 176.4200 169 E 4.1231 8.4174 120.1969 59.4493 29.4630 179.5572 170 G 3.7549 8.8215 105.9082 48.0691 0.0000 175.6614 171 L 4.0878 8.4476 122.5180 57.2284 41.6085 178.9522 172 D 4.2796 8.5087 118.2589 57.2559 41.1198 177.9336 173 W 4.1420 8.0160 128.3467 60.5712 30.5829 177.2918 174 L 3.0525 8.2702 119.8384 58.1678 41.4700 178.8472 175 I 3.6123 8.1348 119.5906 64.6372 37.0708 177.9501 176 D 4.2539 7.8004 119.3532 57.3345 40.5584 179.0350 177 V 3.2782 7.0209 118.3761 65.9859 31.4219 177.8938 178 I 3.5808 7.6171 119.5375 64.2696 36.7709 178.0650 179 K 3.8057 8.0183 119.1113 59.6973 32.2773 177.6407 180 E 3.9640 8.3943 119.6516 59.7115 29.2552 178.2657 181 E 3.8721 8.2467 118.4598 59.6703 29.6338 178.5480 182 Q 4.0848 7.8709 118.6155 58.6718 29.1870 176.2284 183 L 4.2704 7.7680 123.8670 55.0621 41.8310 176.7384 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 G 8.21 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 0.00 0.00 0.00 3 N 8.12 4.88 0.00 2.86 2.89 0.00 0.00 7.63 6.51 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 4 I 8.37 3.71 1.54 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.54 0.71 0.00 0.00 5 F 7.84 4.27 0.00 3.32 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 6 S 7.97 3.89 0.00 4.19 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 0.00 7 S 8.24 4.56 0.00 3.96 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 8 M 8.06 4.14 0.00 1.83 2.02 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.49 0.00 9 F 8.23 4.51 0.00 3.07 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 10 D 8.41 4.80 0.00 2.97 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 11 K 8.00 4.34 0.00 1.88 1.89 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.77 7.81 12 L 7.91 4.60 0.00 2.02 1.78 1.10 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 W 7.78 4.26 0.00 3.48 3.16 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 0.00 14 G 8.19 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 0.00 0.00 0.00 15 S 7.52 4.04 0.00 4.01 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 16 N 8.75 4.52 0.00 2.78 2.91 0.00 0.00 5.82 7.13 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 17 K 7.54 4.55 0.00 1.74 1.55 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.28 7.81 18 E 8.80 4.16 0.00 1.85 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 2.29 2.36 0.00 19 L 8.47 4.66 0.00 1.63 1.60 0.95 1.04 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 20 R 8.43 5.11 0.00 1.93 1.95 0.00 3.61 0.00 0.00 3.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 21 I 9.13 5.10 1.86 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.99 0.00 0.00 22 L 8.58 4.86 0.00 1.45 1.09 1.23 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.83 4.59 1.75 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 0.87 0.00 0.00 24 L 9.87 4.73 0.00 1.56 1.39 0.62 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.32 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 0.00 0.00 0.00 0.00 26 L 7.78 4.53 0.00 1.73 1.61 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.86 5.26 0.00 2.79 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 28 G 8.83 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 0.00 0.00 0.00 29 A 7.35 3.54 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 30 G 7.72 4.04 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 0.00 0.00 0.00 31 K 8.27 3.87 0.00 1.75 1.80 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 32 T 7.93 3.94 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 1.15 0.00 0.00 33 T 7.95 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 1.17 0.00 0.00 34 I 7.30 3.60 2.01 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 1.23 0.61 0.90 0.00 0.00 35 L 7.97 4.03 0.00 1.78 1.95 0.83 0.71 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 36 Y 8.59 3.93 0.00 3.03 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 37 R 8.08 3.94 0.00 1.87 2.09 0.00 3.39 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 1.66 1.80 0.00 38 L 7.20 3.35 0.00 1.63 1.53 0.80 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.60 3.45 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 40 I 7.36 4.61 1.66 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 0.96 0.00 0.00 41 G 8.56 3.68 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 0.00 0.00 0.00 42 E 7.95 4.83 0.00 1.60 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 43 V 8.21 4.93 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 0.57 0.00 0.00 0.59 0.00 0.00 44 V 8.66 4.54 2.09 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 0.72 0.00 0.00 0.94 0.00 0.00 45 T 8.60 5.05 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 1.21 0.00 0.00 46 T 9.19 4.66 4.26 0.00 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0.00 125 F 9.42 5.49 0.00 2.97 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 0.00 126 A 9.06 4.87 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 0.00 127 N 9.08 5.05 0.00 2.92 2.74 0.00 0.00 7.13 6.56 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 0.00 128 K 8.57 4.16 0.00 2.03 1.93 0.00 2.06 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.41 7.81 129 Q 7.98 4.06 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.01 0.00 0.00 0.00 0.00 0.00 2.72 2.46 0.00 130 D 7.90 4.49 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.78 4.25 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 132 P 0.00 4.17 0.00 2.03 2.00 0.00 3.73 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 2.02 2.07 0.00 133 G 8.83 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.60 4.90 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 0.00 135 L 8.83 4.56 0.00 1.54 1.66 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 136 S 8.98 4.34 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.81 4.11 1.36 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 0.00 0.00 0.00 138 S 8.18 4.08 0.00 3.91 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 0.00 139 E 8.57 3.99 0.00 2.21 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 2.34 2.33 0.00 140 V 8.14 3.72 2.25 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 1.06 0.00 0.00 1.05 0.00 0.00 141 S 8.33 4.27 0.00 4.08 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 0.00 142 K 7.81 4.07 0.00 1.76 1.79 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.34 7.81 143 E 8.01 4.37 0.00 1.99 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 2.36 2.57 0.00 144 L 7.52 4.63 0.00 1.59 1.65 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 145 N 7.95 4.23 0.00 2.94 2.81 0.00 0.00 6.86 6.90 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 0.00 146 L 7.22 3.57 0.00 1.02 0.13 1.02 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.53 3.47 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 0.79 0.00 0.00 0.95 0.00 0.00 148 E 8.37 4.02 0.00 1.98 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 2.26 2.13 0.00 149 L 7.04 4.00 0.00 1.79 1.51 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.10 4.67 0.00 1.71 1.54 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.24 0.96 7.81 151 D 8.54 4.49 0.00 2.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.17 4.37 0.00 1.75 1.84 0.00 3.19 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 153 S 8.45 4.81 0.00 3.90 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 0.00 154 W 8.27 6.25 0.00 3.44 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 0.00 155 S 7.94 3.47 0.00 2.72 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 0.00 156 I 7.87 4.97 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.33 0.95 0.00 0.00 157 V 8.55 4.58 2.23 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 1.04 0.00 0.00 0.84 0.00 0.00 158 A 8.76 4.85 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 0.00 159 S 9.13 4.80 0.00 3.59 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 0.00 160 S 8.75 4.74 0.00 3.75 3.89 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 0.00 161 A 7.94 3.78 1.23 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 0.00 0.00 162 I 8.06 3.57 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.95 0.00 0.00 163 K 8.38 4.30 0.00 1.71 1.76 0.00 2.00 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.24 7.81 164 G 8.82 4.46 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 0.00 165 E 7.54 4.26 0.00 1.89 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 2.31 2.39 0.00 166 G 9.19 4.29 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 0.00 0.00 0.00 167 I 7.20 3.57 1.97 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.68 0.92 0.00 0.00 168 T 8.00 4.15 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 1.16 0.00 0.00 169 E 8.42 4.12 0.00 2.28 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 2.43 2.48 0.00 170 G 8.82 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 0.00 0.00 0.00 171 L 8.45 4.09 0.00 1.82 1.69 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 172 D 8.51 4.28 0.00 2.92 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 0.00 173 W 8.02 4.14 0.00 3.38 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 0.00 174 L 8.27 3.05 0.00 1.95 1.86 0.78 0.95 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 0.00 175 I 8.13 3.61 1.92 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.45 0.91 0.00 0.00 176 D 7.80 4.25 0.00 2.65 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 0.00 177 V 7.02 3.28 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 0.87 0.00 0.00 -0.35 0.00 0.00 178 I 7.62 3.58 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.92 0.00 0.00 179 K 8.02 3.81 0.00 1.75 1.97 0.00 1.83 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.47 7.81 180 E 8.39 3.96 0.00 2.12 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 0.00 2.27 2.35 0.00 181 E 8.25 3.87 0.00 1.91 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 0.00 2.32 2.37 0.00 182 Q 7.87 4.08 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 183 L 7.77 4.27 0.00 1.85 1.57 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.