NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 520 Q 4.3020 8.3449 119.1193 54.0867 29.9926 174.6910 521 P 4.4868 0.0000 0.0000 61.5272 32.6877 175.8073 522 L 3.8213 8.5755 121.9572 58.1393 42.3978 179.6915 523 S 4.7026 7.9878 110.9882 61.0355 62.5849 175.4316 524 G 3.6564 7.8470 108.4503 46.3694 0.0000 173.8189 525 Y 3.5807 7.9443 119.8428 56.5673 38.4849 175.2406 526 P 4.0833 0.0000 0.0000 64.8911 31.5605 177.4965 527 W 4.3636 6.5142 114.1253 56.0250 28.7469 174.8759 528 F 5.3844 7.4579 122.7622 57.6826 39.5211 174.7975 529 H 4.5077 8.9815 124.6229 54.6662 29.8723 175.7147 530 G 3.2955 5.3800 108.2559 46.6390 0.0000 175.1006 531 M 4.3805 8.2643 115.7798 54.2192 30.8545 175.9947 532 L 4.3099 7.2853 124.1503 53.9633 43.8828 177.1391 533 S 4.3614 8.3232 119.8287 57.8466 65.1121 175.0160 534 R 3.8207 8.5373 123.3232 59.9721 29.7711 178.6333 535 L 3.9823 7.8970 117.8100 57.9357 41.5843 179.7130 536 K 3.9871 7.9715 117.5711 59.3158 32.1121 179.2379 537 A 3.9533 8.2283 120.9334 55.0583 18.1391 179.5415 538 A 3.9545 8.2958 119.5304 55.4571 18.0879 179.8330 539 Q 3.9618 8.1903 116.5272 59.1465 28.5697 179.1160 540 L 4.0663 7.9494 118.9638 57.8830 41.8228 179.5423 541 V 3.9408 7.5459 109.2208 62.7222 32.0730 177.5560 542 L 4.5079 7.7122 120.8952 54.8872 41.6771 176.8436 543 E 4.2336 7.2215 115.3469 57.3330 29.8072 182.6188 544 G 4.2727 8.9506 111.3106 44.0211 0.0000 174.6354 545 G 3.9464 8.3709 109.2291 46.2053 0.0000 175.6153 546 T 3.9450 8.5046 108.7436 64.2104 68.8690 176.5112 547 G 3.6517 7.6735 110.4233 47.6413 0.0000 174.3807 548 S 4.5705 8.1611 115.9597 58.2348 62.9818 173.0818 549 H 4.2551 7.5209 120.2966 58.4277 29.6951 175.2470 550 G 4.0189 9.3210 115.5768 44.8710 0.0000 173.1215 551 V 5.0322 8.5660 121.3044 62.5011 32.9655 174.9984 552 F 6.0068 8.2938 120.5793 56.0339 41.9404 172.2641 553 L 4.9127 8.3833 115.8586 55.4949 43.1243 173.3305 554 V 5.2985 9.0559 120.4803 61.2630 34.2814 174.5222 555 R 5.1653 8.9012 123.8089 54.2697 32.7796 175.1293 556 Q 4.6731 9.0023 119.9987 55.8119 29.6293 176.0850 557 S 4.3775 8.6938 117.6275 58.5188 62.5961 174.2089 558 E 4.3260 8.9580 125.2686 57.8204 29.8870 177.3218 559 T 4.5064 7.8503 105.8906 60.8499 70.7868 173.8366 560 R 4.5246 8.2679 122.8456 53.8274 31.5500 175.6100 561 R 3.8907 8.6115 123.9339 57.5289 30.7294 176.1385 562 G 4.0106 9.0288 111.7588 46.1996 0.0000 172.2195 563 E 5.3338 7.8787 117.9307 54.5049 33.7856 174.6124 564 C 5.5575 9.1980 118.9710 58.0840 33.2127 172.8861 565 V 4.8472 9.3254 119.0884 61.2406 34.9096 174.0905 566 L 4.9929 9.3090 129.8321 54.1999 43.4845 174.8155 567 T 5.2022 8.8294 124.5763 62.0161 70.5632 174.2139 568 F 5.5159 8.4067 120.3011 55.3598 42.3081 172.7940 569 N 5.0822 9.7184 119.7292 53.0132 40.3165 173.4541 570 F 4.9319 9.8142 131.8360 57.0365 41.9178 175.4296 571 Q 3.3402 10.0440 125.6946 55.8400 25.2932 171.7151 572 G 4.1217 8.8011 107.6352 45.6057 0.0000 174.5441 573 K 4.5831 8.3576 119.2858 54.1412 34.8051 174.9217 574 A 4.5173 8.4136 124.1016 51.6454 19.2153 176.9586 575 K 4.2771 8.5648 122.3060 54.5633 35.5633 175.1926 576 H 5.1484 8.3876 119.4505 54.0321 31.7804 172.6522 577 L 4.7152 9.0564 126.9749 52.9717 43.9293 175.8795 578 R 4.5579 8.7894 125.9517 56.4208 31.0255 176.1217 579 L 4.8628 9.3850 122.8589 52.9818 45.4475 175.2028 580 S 5.0434 9.1938 118.8672 56.6468 64.2615 172.7873 581 L 5.6156 9.2442 126.8486 52.1018 45.2703 175.4221 582 N 5.1269 8.3141 117.6101 50.6611 40.3291 174.6810 583 A 3.9394 8.6445 119.5845 55.5280 18.1968 178.5870 584 A 4.0933 8.2982 117.1804 52.7954 18.3027 179.0412 585 G 3.9337 8.4104 104.8464 45.1711 0.0000 173.5719 586 Q 4.6004 7.6771 119.8627 55.6424 29.8877 174.7652 587 C 4.9395 8.8076 124.6382 58.0054 33.7149 172.1454 588 R 4.8768 9.3483 126.2067 54.6543 33.1155 174.2885 589 V 4.2945 8.9034 126.3269 61.9973 32.9446 177.9816 590 Q 3.5700 8.8683 130.2557 57.1100 27.1314 174.9120 591 H 4.5757 9.4597 122.4734 56.4624 29.7246 174.9773 592 L 4.1227 7.6332 122.3080 53.5174 42.5923 174.9809 593 H 4.8171 8.0838 120.5394 53.7906 30.9456 173.6987 594 F 4.9887 9.0152 122.8727 55.4250 42.1251 176.5550 595 Q 4.1155 8.7076 122.1294 58.6675 29.0293 175.9707 596 S 5.0916 7.2466 111.0565 57.2123 67.2813 175.5831 597 I 3.6483 8.1554 121.9265 64.3027 36.7122 178.3975 598 F 3.8701 8.0579 121.0829 61.2579 39.2009 176.6080 599 D 4.0714 8.1106 118.5130 57.4860 40.6085 178.5575 600 M 2.0000 7.2204 117.9669 57.7944 31.8553 178.1867 601 L 3.4604 7.1322 118.0757 57.7690 41.8883 179.1176 602 E 3.7141 7.9702 118.7915 59.4337 29.1753 178.9887 603 H 3.9967 7.8181 118.5657 58.8521 29.9315 176.4948 604 F 5.4549 7.5949 118.6417 57.6309 38.6949 177.1457 605 R 4.1126 7.3552 119.2193 57.6823 30.0250 176.7579 606 V 3.9761 7.5374 116.4104 63.9251 33.2135 175.1248 607 H 4.7869 8.2841 118.5365 52.8978 29.7518 172.7688 608 P 4.5955 0.0000 0.0000 62.7436 31.4525 176.0864 609 I 3.1091 7.9439 122.6564 60.6663 37.0302 175.9681 610 P 4.6276 0.0000 0.0000 62.7043 28.7197 175.2771 611 L 4.2708 7.4799 123.9828 54.9265 42.9147 177.4962 612 E 4.1247 8.6871 122.4611 59.0030 29.7547 178.3537 613 S 4.0820 7.7783 112.1954 59.8405 63.7798 173.4004 *618 D 4.6357 7.8598 119.3520 53.1755 39.9681 175.3346 619 V 4.6932 8.1585 122.5554 60.1863 34.9790 174.4576 620 V 4.7371 8.1780 115.3150 59.2213 35.7017 175.2318 621 L 4.1687 8.3357 123.5859 54.9922 41.6834 176.1670 622 V 4.3937 8.6451 123.9773 63.9112 32.5560 175.5560 623 S 4.9753 7.9947 113.1826 56.6188 66.9516 171.3189 624 Y 4.5960 7.5334 117.7531 54.7598 40.8057 175.1877 625 V 4.0998 8.4534 121.7918 61.5793 32.0164 174.1466 626 P 4.9551 0.0000 0.0000 62.9316 32.1586 176.6198 627 S 4.1052 8.2924 116.0934 58.4987 63.1432 173.8795 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 520 Q 8.34 4.30 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 521 P 0.00 4.49 0.00 2.21 1.96 0.00 3.51 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 2.07 2.14 0.00 522 L 8.58 3.82 0.00 1.32 0.63 0.65 0.58 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 0.00 523 S 7.99 4.70 0.00 4.07 4.13 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 0.00 524 G 7.85 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 0.00 525 Y 7.94 3.58 0.00 1.70 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 0.00 526 P 0.00 4.08 0.00 2.08 2.24 0.00 3.26 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 527 W 6.51 4.36 0.00 3.56 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 528 F 7.46 5.38 0.00 2.57 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 0.00 529 H 8.98 4.51 0.00 3.08 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 G 5.38 3.30 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 0.00 531 M 8.26 4.38 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 532 L 7.29 4.31 0.00 1.80 1.52 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 533 S 8.32 4.36 0.00 4.08 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 0.00 534 R 8.54 3.82 0.00 1.82 1.93 0.00 3.07 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.41 0.00 535 L 7.90 3.98 0.00 1.72 1.71 0.92 0.90 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 0.00 536 K 7.97 3.99 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 537 A 8.23 3.95 1.42 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 0.00 0.00 538 A 8.30 3.95 1.42 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 0.00 0.00 539 Q 8.19 3.96 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.72 0.00 540 L 7.95 4.07 0.00 1.77 1.75 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 541 V 7.55 3.94 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 0.89 0.00 0.00 1.04 0.00 0.00 542 L 7.71 4.51 0.00 1.83 1.70 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 543 E 7.22 4.23 0.00 2.03 1.76 0.00 0.00 0.00 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 0.00 544 G 8.95 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 0.00 0.00 0.00 545 G 8.37 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 0.00 546 T 8.50 3.95 4.21 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 1.23 0.00 0.00 547 G 7.67 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 0.00 0.00 0.00 548 S 8.16 4.57 0.00 4.04 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 0.00 549 H 7.52 4.26 0.00 3.13 3.23 0.00 5.91 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 0.00 550 G 9.32 4.02 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 0.00 551 V 8.57 5.03 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 0.71 0.00 0.00 0.97 0.00 0.00 552 F 8.29 6.01 0.00 3.41 3.23 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 0.00 553 L 8.38 4.91 0.00 1.75 1.77 0.93 0.23 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 0.00 554 V 9.06 5.30 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 1.52 0.00 0.00 1.16 0.00 0.00 555 R 8.90 5.17 0.00 2.02 2.00 0.00 3.04 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 556 Q 9.00 4.67 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.90 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 557 S 8.69 4.38 0.00 3.95 4.02 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 0.00 558 E 8.96 4.33 0.00 2.00 1.99 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 2.29 2.30 0.00 559 T 7.85 4.51 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 0.00 560 R 8.27 4.52 0.00 1.86 1.90 0.00 3.20 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 561 R 8.61 3.89 0.00 1.78 1.85 0.00 3.37 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 562 G 9.03 4.01 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 0.00 0.00 0.00 563 E 7.88 5.33 0.00 2.06 1.85 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 2.43 2.28 0.00 564 C 9.20 5.56 0.00 2.92 3.04 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 0.00 565 V 9.33 4.85 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 1.03 0.00 0.00 0.98 0.00 0.00 566 L 9.31 4.99 0.00 1.85 1.81 1.00 0.65 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 0.00 567 T 8.83 5.20 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 568 F 8.41 5.52 0.00 3.29 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 0.00 569 N 9.72 5.08 0.00 3.02 2.97 0.00 0.00 6.92 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 0.00 570 F 9.81 4.93 0.00 3.27 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 0.00 571 Q 10.04 3.34 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.24 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 572 G 8.80 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 573 K 8.36 4.58 0.00 1.94 1.70 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 574 A 8.41 4.52 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 0.00 575 K 8.56 4.28 0.00 0.79 0.85 0.00 1.36 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.08 1.20 7.81 576 H 8.39 5.15 0.00 2.95 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 L 9.06 4.72 0.00 2.04 1.66 0.89 0.83 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 0.00 578 R 8.79 4.56 0.00 1.78 1.89 0.00 3.22 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 579 L 9.38 4.86 0.00 1.64 1.58 1.00 0.71 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 0.00 580 S 9.19 5.04 0.00 3.88 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 0.00 581 L 9.24 5.62 0.00 1.53 1.54 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 582 N 8.31 5.13 0.00 2.91 2.94 0.00 0.00 5.93 7.08 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 0.00 583 A 8.64 3.94 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 0.00 584 A 8.30 4.09 1.39 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 0.00 0.00 0.00 585 G 8.41 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 0.00 0.00 0.00 586 Q 7.68 4.60 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.17 0.00 587 C 8.81 4.94 0.00 3.07 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 0.00 588 R 9.35 4.88 0.00 1.79 1.69 0.00 2.98 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.18 0.00 589 V 8.90 4.29 2.28 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 1.12 0.00 0.00 1.13 0.00 0.00 590 Q 8.87 3.57 0.00 2.30 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 591 H 9.46 4.58 0.00 3.25 3.38 0.00 5.51 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 L 7.63 4.12 0.00 1.67 0.94 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 593 H 8.08 4.82 0.00 2.90 3.07 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 594 F 9.02 4.99 0.00 3.01 2.79 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 0.00 595 Q 8.71 4.12 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 596 S 7.25 5.09 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 0.00 597 I 8.16 3.65 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.66 0.79 0.00 0.00 598 F 8.06 3.87 0.00 2.97 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 0.00 599 D 8.11 4.07 0.00 2.87 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 0.00 600 M 7.22 2.00 0.00 1.67 1.16 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.57 0.00 601 L 7.13 3.46 0.00 1.06 1.09 -0.69 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 602 E 7.97 3.71 0.00 1.74 1.71 0.00 0.00 0.00 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 0.00 603 H 7.82 4.00 0.00 2.98 2.66 0.00 5.58 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 0.00 604 F 7.59 5.45 0.00 2.81 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 0.00 605 R 7.36 4.11 0.00 1.77 1.94 0.00 3.22 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 606 V 7.54 3.98 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 0.68 0.00 0.00 0.86 0.00 0.00 607 H 8.28 4.79 0.00 3.29 3.27 0.00 5.88 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 P 0.00 4.60 0.00 2.18 2.08 0.00 3.81 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 2.03 2.02 0.00 609 I 7.94 3.11 1.41 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.17 0.31 0.00 0.00 610 P 0.00 4.63 0.00 2.22 2.16 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 611 L 7.48 4.27 0.00 1.51 1.47 0.65 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 612 E 8.69 4.12 0.00 1.93 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 0.00 2.30 2.23 0.00 613 S 7.78 4.08 0.00 3.88 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 *618 D 7.86 4.64 0.00 2.76 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 0.00 619 V 8.16 4.69 2.39 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 0.81 0.00 0.00 0.83 0.00 0.00 620 V 8.18 4.74 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 0.72 0.00 0.00 0.92 0.00 0.00 621 L 8.34 4.17 0.00 1.32 0.99 0.14 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 622 V 8.65 4.39 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 0.81 0.00 0.00 0.96 0.00 0.00 623 S 7.99 4.98 0.00 3.71 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 0.00 624 Y 7.53 4.60 0.00 2.54 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 0.00 0.00 0.00 625 V 8.45 4.10 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 0.87 0.00 0.00 1.04 0.00 0.00 626 P 0.00 4.96 0.00 2.20 2.21 0.00 3.87 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 2.05 2.01 0.00 627 S 8.29 4.11 0.00 3.75 3.31 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 * Residues marked with a * may have inaccurate shift predictions.