NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 499 H 4.8160 8.4449 116.4670 55.6115 30.2872 171.8658 500 Q 4.3132 8.3686 118.2696 53.7563 30.9050 173.2287 501 L 5.0395 8.6978 124.2148 53.0002 44.8684 175.6049 502 F 4.8876 8.8536 120.2079 55.8124 42.8097 173.8790 503 I 4.6271 8.4663 123.5830 61.3563 38.4089 175.4124 504 V 5.0640 9.1291 119.1704 59.9617 36.9347 174.4765 505 R 5.2983 9.3783 120.7348 54.4024 33.6533 174.8134 506 F 4.2596 9.1136 127.2596 58.4874 39.3507 174.6287 507 L 4.1578 8.5647 125.9662 53.8432 43.6200 176.7852 508 G 3.6046 5.3800 104.5269 46.3083 0.0000 171.0209 509 S 5.3058 8.0364 113.1857 58.2142 65.9342 173.3474 510 M 4.5969 7.8035 115.6772 54.0450 33.9640 173.4845 511 E 4.5587 8.6314 121.6907 56.5854 30.5505 176.0548 512 V 4.5239 8.1914 117.9416 59.5153 35.5421 176.0528 513 K 3.8199 8.8128 121.7404 57.7920 32.0889 175.1967 514 S 3.4352 7.9078 116.6387 58.0985 60.1821 170.6456 515 D 4.6683 8.1474 127.4234 53.5645 42.9877 175.0991 516 D 4.8410 9.4379 117.2691 54.7180 41.6095 176.4725 517 H 5.0025 7.6179 112.8343 52.1722 32.7036 173.0024 518 P 3.9420 0.0000 0.0000 65.5795 30.9554 178.4531 519 D 4.4000 8.1394 117.5386 56.5907 38.8119 178.9456 520 V 3.4743 7.3715 119.7021 65.8721 31.4704 178.1635 521 V 3.4174 7.6153 118.1892 66.1628 31.3440 177.6739 522 Y 4.3671 7.1736 115.9572 61.1725 37.7996 178.0986 523 E 4.0196 8.5030 119.7556 59.7752 29.5743 179.6069 524 T 3.8605 7.9346 115.8131 66.6587 68.4632 176.6458 525 M 3.9991 8.1646 120.7260 58.3565 31.9298 178.8108 526 R 3.8433 7.9282 118.5633 59.6452 30.2525 178.5468 527 Q 3.9489 8.0380 117.8109 58.9936 28.6485 179.0541 528 I 3.6111 7.7967 120.7728 64.3213 37.2778 178.5103 529 L 3.8920 7.9788 119.6388 57.5520 41.3428 179.4825 530 A 3.9061 8.2701 120.8122 55.0441 18.4812 179.5061 531 A 3.9351 8.1635 119.5307 55.2820 18.3640 179.9912 532 R 3.7518 7.8922 116.2640 59.4003 30.2021 179.2412 533 A 3.6873 7.6651 119.9613 55.2218 18.1753 179.6899 534 I 3.6433 7.6777 117.1923 64.1767 37.1249 177.3578 535 H 4.6815 7.6727 113.9241 54.4907 28.9875 174.2678 536 N 4.2751 7.9278 117.8239 54.7386 37.6279 173.8340 537 I 4.4485 8.1743 117.8312 59.6753 38.4032 175.8131 538 F 4.6028 8.8127 123.1156 58.2014 41.5191 176.3592 539 R 4.2608 7.9889 115.5388 56.5146 29.8972 175.5692 540 M 4.8154 8.1037 115.2686 54.3280 34.2500 174.0420 541 T 4.4395 8.5598 118.1223 62.9270 70.2202 173.2219 542 E 4.9791 8.8495 127.6904 55.6907 31.0850 175.0766 543 S 4.9077 9.4856 121.6719 57.6593 68.6374 171.8904 544 H 5.3711 9.1981 117.7028 54.2545 31.1561 173.5838 545 L 4.8047 9.4443 127.0057 53.9058 43.7741 174.7112 546 L 5.0357 9.0259 128.8757 53.2540 44.8343 174.7997 547 V 4.7721 8.7838 126.9422 61.4042 33.5505 174.5311 548 T 5.1446 8.6140 116.9737 59.7653 72.2568 174.7602 549 C 4.2038 8.8771 118.4156 62.0735 28.4966 174.6687 550 D 4.6518 7.4017 119.2738 55.3279 41.7933 175.2531 551 C 4.9782 7.5176 112.3830 57.9075 33.6430 172.4279 552 L 5.2397 8.4450 118.2652 53.0337 44.1988 176.3942 553 K 5.0591 8.9009 121.2424 54.6204 37.1362 175.0843 554 L 5.1520 8.9466 123.0597 53.2426 44.1415 175.4861 555 I 4.8299 8.9815 125.2978 59.3766 40.3219 174.5606 556 D 4.7743 9.0750 126.9786 53.1089 41.2714 175.4005 557 P 4.3096 0.0000 0.0000 65.5262 31.5288 177.7909 558 Q 4.2480 8.2199 115.9862 57.5977 28.8337 176.6305 559 T 4.4755 7.2406 104.3277 59.8980 70.2605 174.5244 560 Q 3.6579 8.6981 119.7633 56.4618 26.9506 172.9896 561 V 4.0737 7.2754 118.8367 62.1591 33.1807 175.0166 562 T 4.4657 8.3637 122.5657 62.1807 67.1424 174.2461 563 R 4.2362 9.2349 129.4076 58.6736 30.9469 177.1424 564 L 4.6467 7.5567 116.4182 53.2483 46.5064 175.3961 565 T 4.7713 7.6891 115.0256 60.4168 70.7500 172.7556 566 F 4.9537 9.3324 127.2582 54.8076 42.3126 173.1869 567 P 4.5833 0.0000 0.0000 62.2463 32.1129 176.8477 568 L 3.8999 8.6890 125.5210 57.8676 42.0653 177.5651 569 P 4.3551 0.0000 0.0000 65.2454 31.4665 176.8447 570 C 4.3272 8.1702 114.8385 60.4200 28.5326 173.5159 571 V 4.3750 7.3399 120.0668 62.1632 29.5703 175.3446 572 V 4.1271 8.3112 119.9421 62.6720 32.5368 176.5420 573 L 4.9191 7.9137 119.2901 53.1004 46.0380 175.1743 574 Y 5.3738 7.6935 118.9812 56.0643 40.9308 173.6652 575 A 4.6521 8.8245 122.1436 51.6798 23.4346 174.9393 576 T 5.3097 8.4087 113.4800 59.5989 71.2017 172.6553 577 H 4.6432 8.7363 124.9214 55.2083 30.7495 175.6740 578 Q 3.8702 8.4007 127.9100 59.0165 28.7723 177.1237 579 E 4.4991 8.0557 113.6480 55.6927 29.9636 175.9131 580 N 4.5808 8.1350 117.3748 53.1023 40.3693 174.8469 581 K 4.5776 8.2913 122.0498 57.0110 32.4413 178.7385 582 R 4.3469 8.4190 118.8620 57.3752 31.2989 176.1392 583 L 5.1511 8.0689 119.9745 53.5892 43.9507 175.5683 584 F 5.2957 9.4101 124.2509 57.0561 43.2719 173.3197 585 G 4.5015 8.6607 112.0427 44.8371 0.0000 171.2793 586 F 5.4344 8.4011 115.4264 55.1049 42.3796 173.1416 587 V 4.7888 9.0596 120.0075 61.1000 34.1772 173.8561 588 L 5.1109 9.1361 130.6055 53.6635 43.7900 174.7354 589 R 4.9882 8.9402 128.0833 55.1840 31.4491 175.2142 590 T 4.8530 8.8256 123.6776 61.7426 71.4866 173.7624 591 S 4.8853 8.4957 119.8705 56.6884 64.7101 174.2057 592 S 4.0422 8.8448 119.6637 61.0958 62.8744 174.3868 *599 L 4.2358 7.5031 118.6038 55.2057 41.0768 175.8121 600 S 4.8180 8.3537 114.6777 57.4640 67.5740 174.9592 601 S 5.2695 8.6097 116.3867 56.8522 66.9811 172.9859 602 V 4.6964 8.6148 122.6879 61.1969 34.9811 173.4647 603 C 4.9230 8.5646 127.9784 57.9692 33.6287 171.5821 604 Y 4.7634 8.4986 124.3440 56.2402 39.9479 174.5878 605 I 4.9038 8.4117 125.0785 59.5879 40.0438 174.8387 606 F 5.4914 9.8787 124.3677 55.8025 43.9248 173.1014 607 E 5.3568 9.5136 120.8849 54.7188 32.5512 174.7055 608 S 5.0303 9.5828 120.3797 55.9501 66.8089 173.9245 609 N 4.6336 7.7942 114.9856 52.8203 36.9928 174.9414 610 N 4.2640 7.9496 108.6999 55.1377 37.9697 173.6767 611 E 4.6683 8.1157 113.0461 55.5688 30.5341 178.2690 612 G 3.7692 8.2936 109.3462 48.1786 0.0000 175.9250 613 E 3.9705 8.0770 121.1066 58.9678 29.8584 178.7854 614 K 3.9649 7.9539 118.0334 59.4111 32.0519 179.2995 615 I 2.5322 7.4527 120.2890 64.1572 36.8886 178.2516 616 C 4.2410 7.7287 117.3964 62.9434 27.8654 175.9255 617 D 4.4410 8.4330 120.9284 57.3653 40.3760 178.8422 618 S 4.0702 8.0146 113.6585 61.3363 62.4604 176.4099 619 V 3.4661 7.8403 121.2316 65.7455 31.0992 178.2232 620 G 3.6640 8.4718 105.8879 47.6184 0.0000 175.3256 621 L 3.9290 8.1810 122.8229 57.8563 42.2385 178.8950 622 A 3.9682 7.9011 120.5919 55.3142 18.3663 179.8667 623 K 3.9894 8.1113 116.8167 59.1972 32.0340 179.5726 624 Q 3.8642 8.2292 120.3839 59.1822 29.0485 178.0678 625 I 3.7035 7.8506 120.6237 64.5949 37.1240 178.3218 626 A 4.0141 7.8718 120.9190 54.9749 18.1455 179.4888 627 L 3.9328 7.9249 119.0124 58.5852 42.1102 178.9489 628 H 4.3410 8.7542 116.4922 58.6523 28.6452 177.5979 629 A 3.9954 8.2120 122.7683 55.0687 18.1942 179.3149 630 E 3.8914 8.0417 117.4877 59.4383 29.7455 179.0658 631 L 4.0277 7.9322 119.0343 57.9427 41.6684 179.2730 632 D 4.3735 8.3699 119.0005 57.1417 40.8237 178.7828 633 R 3.8516 8.1112 119.1995 59.7124 30.2053 178.9689 634 R 3.9895 8.0923 117.4069 58.8669 29.9687 179.0360 635 A 4.0177 7.9639 121.0374 55.2784 18.1890 179.9031 636 S 4.1277 8.1358 113.7550 61.3937 62.9761 176.5933 637 E 3.9813 8.0888 122.0054 59.2683 29.4734 178.8872 638 K 4.2050 8.1453 119.6626 59.2524 32.2246 178.4090 639 Q 3.9897 8.1731 120.1457 59.1935 28.9103 178.6955 640 K 4.0014 7.7241 117.9831 59.5355 31.8731 179.2343 641 E 3.9919 7.5096 116.7280 59.2821 29.4103 179.1967 642 I 3.8435 8.1038 119.2109 64.4938 37.3227 177.9520 643 E 4.1271 7.9382 117.8107 59.1170 30.7211 179.3330 644 R 4.3295 7.6485 117.9119 55.1912 26.6756 177.0752 645 V 3.9462 7.3587 121.4704 61.7240 31.7975 176.6886 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 499 H 8.44 4.82 0.00 3.22 3.35 0.00 5.48 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 500 Q 8.37 4.31 0.00 2.01 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 501 L 8.70 5.04 0.00 1.22 1.31 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 502 F 8.85 4.89 0.00 2.85 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 0.00 503 I 8.47 4.63 1.94 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 1.40 0.83 1.00 0.00 0.00 504 V 9.13 5.06 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 0.68 0.00 0.00 0.97 0.00 0.00 505 R 9.38 5.30 0.00 1.82 1.91 0.00 3.21 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 506 F 9.11 4.26 0.00 3.03 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 0.00 507 L 8.56 4.16 0.00 1.31 1.43 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 508 G 5.38 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 0.00 509 S 8.04 5.31 0.00 3.37 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 0.00 510 M 7.80 4.60 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 511 E 8.63 4.56 0.00 1.96 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 2.26 2.47 0.00 512 V 8.19 4.52 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 0.72 0.00 0.00 0.89 0.00 0.00 513 K 8.81 3.82 0.00 1.72 1.85 0.00 1.89 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.40 7.81 514 S 7.91 3.44 0.00 3.95 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 0.00 515 D 8.15 4.67 0.00 2.68 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 0.00 516 D 9.44 4.84 0.00 2.55 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 0.00 0.00 0.00 0.00 517 H 7.62 5.00 0.00 3.25 3.10 0.00 5.69 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 P 0.00 3.94 0.00 2.01 1.82 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 519 D 8.14 4.40 0.00 2.91 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 0.00 520 V 7.37 3.47 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 0.91 0.00 0.00 0.99 0.00 0.00 521 V 7.62 3.42 1.68 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 0.82 0.00 0.00 0.73 0.00 0.00 522 Y 7.17 4.37 0.00 3.13 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 0.00 523 E 8.50 4.02 0.00 2.13 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 2.35 2.50 0.00 524 T 7.93 3.86 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 1.08 0.00 0.00 525 M 8.16 4.00 0.00 2.10 2.37 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.58 0.00 526 R 7.93 3.84 0.00 1.91 2.06 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 527 Q 8.04 3.95 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 528 I 7.80 3.61 1.93 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.68 0.70 0.00 0.00 529 L 7.98 3.89 0.00 1.76 1.64 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 530 A 8.27 3.91 1.34 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 0.00 0.00 0.00 531 A 8.16 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 0.00 532 R 7.89 3.75 0.00 1.88 1.97 0.00 2.95 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 533 A 7.67 3.69 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 0.00 534 I 7.68 3.64 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 0.70 0.00 0.00 535 H 7.67 4.68 0.00 3.24 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 536 N 7.93 4.28 0.00 2.93 2.97 0.00 0.00 7.03 7.29 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 0.00 537 I 8.17 4.45 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.85 0.88 0.00 0.00 538 F 8.81 4.60 0.00 2.95 3.08 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 0.00 539 R 7.99 4.26 0.00 1.97 2.01 0.00 3.09 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 540 M 8.10 4.82 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 541 T 8.56 4.44 4.40 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 1.29 0.00 0.00 542 E 8.85 4.98 0.00 2.06 1.90 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 2.33 2.61 0.00 543 S 9.49 4.91 0.00 3.86 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 0.00 544 H 9.20 5.37 0.00 3.02 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 L 9.44 4.80 0.00 1.60 1.58 0.58 -0.74 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 0.00 546 L 9.03 5.04 0.00 1.67 1.43 0.64 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 547 V 8.78 4.77 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 0.94 0.00 0.00 548 T 8.61 5.14 4.24 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 1.23 0.00 0.00 549 C 8.88 4.20 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 0.00 550 D 7.40 4.65 0.00 2.79 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 0.00 551 C 7.52 4.98 0.00 3.13 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 0.00 552 L 8.45 5.24 0.00 1.58 1.56 0.73 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 553 K 8.90 5.06 0.00 1.63 1.58 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.35 7.81 554 L 8.95 5.15 0.00 1.54 1.63 0.98 0.95 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 0.00 555 I 8.98 4.83 1.89 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 1.11 1.04 0.95 0.00 0.00 556 D 9.08 4.77 0.00 2.72 2.54 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 0.00 557 P 0.00 4.31 0.00 2.01 1.85 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.75 0.00 558 Q 8.22 4.25 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 559 T 7.24 4.48 4.24 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 1.26 0.00 0.00 560 Q 8.70 3.66 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 561 V 7.28 4.07 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 0.90 0.00 0.00 0.92 0.00 0.00 562 T 8.36 4.47 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 1.17 0.00 0.00 563 R 9.23 4.24 0.00 1.77 1.94 0.00 3.18 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 564 L 7.56 4.65 0.00 1.31 0.78 0.98 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 565 T 7.69 4.77 4.10 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 0.00 0.00 0.00 1.07 0.00 0.00 566 F 9.33 4.95 0.00 2.86 2.82 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 0.00 567 P 0.00 4.58 0.00 2.21 2.00 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 568 L 8.69 3.90 0.00 1.78 1.66 0.93 0.76 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 0.00 569 P 0.00 4.36 0.00 2.10 2.12 0.00 3.67 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 2.03 2.12 0.00 570 C 8.17 4.33 0.00 3.21 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 0.00 571 V 7.34 4.38 2.14 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 0.68 0.00 0.00 0.74 0.00 0.00 572 V 8.31 4.13 2.10 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 0.80 0.00 0.00 1.01 0.00 0.00 573 L 7.91 4.92 0.00 1.51 1.37 0.89 0.60 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 0.00 574 Y 7.69 5.37 0.00 3.15 2.96 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 0.00 575 A 8.82 4.65 1.16 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 0.00 0.00 576 T 8.41 5.31 4.61 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 1.33 0.00 0.00 577 H 8.74 4.64 0.00 3.29 3.32 0.00 5.75 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 Q 8.40 3.87 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 579 E 8.06 4.50 0.00 2.00 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 2.22 2.25 0.00 580 N 8.14 4.58 0.00 2.62 2.65 0.00 0.00 7.22 6.69 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 0.00 581 K 8.29 4.58 0.00 1.94 1.86 0.00 2.08 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.53 7.81 582 R 8.42 4.35 0.00 2.04 2.10 0.00 3.14 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 583 L 8.07 5.15 0.00 1.84 1.67 0.92 0.87 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 0.00 584 F 9.41 5.30 0.00 3.14 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 0.00 585 G 8.66 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 586 F 8.40 5.43 0.00 3.26 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 0.00 587 V 9.06 4.79 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 0.94 0.00 0.00 0.86 0.00 0.00 588 L 9.14 5.11 0.00 1.90 1.79 1.10 0.83 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 0.00 589 R 8.94 4.99 0.00 1.87 1.85 0.00 3.29 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 590 T 8.83 4.85 4.30 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 1.26 0.00 0.00 591 S 8.50 4.89 0.00 3.98 3.88 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 0.00 0.00 0.00 592 S 8.84 4.04 0.00 3.91 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 *599 L 7.50 4.24 0.00 1.82 1.76 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 600 S 8.35 4.82 0.00 3.89 3.94 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 0.00 601 S 8.61 5.27 0.00 3.91 3.74 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 0.00 0.00 0.00 602 V 8.61 4.70 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 0.50 0.00 0.00 0.91 0.00 0.00 603 C 8.56 4.92 0.00 2.92 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 0.00 604 Y 8.50 4.76 0.00 1.87 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 I 8.41 4.90 1.69 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 1.04 0.97 0.84 0.00 0.00 606 F 9.88 5.49 0.00 3.32 3.15 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 0.00 0.00 0.00 0.00 607 E 9.51 5.36 0.00 2.07 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 2.27 2.28 0.00 608 S 9.58 5.03 0.00 3.79 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 0.00 609 N 7.79 4.63 0.00 2.78 2.88 0.00 0.00 6.95 7.88 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 0.00 610 N 7.95 4.26 0.00 2.86 2.91 0.00 0.00 7.13 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 0.00 611 E 8.12 4.67 0.00 2.08 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 2.30 2.49 0.00 612 G 8.29 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 0.00 0.00 0.00 613 E 8.08 3.97 0.00 2.07 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 2.40 2.43 0.00 614 K 7.95 3.96 0.00 1.93 2.00 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.56 7.81 615 I 7.45 2.53 1.10 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.24 -0.40 0.00 0.00 616 C 7.73 4.24 0.00 3.25 3.21 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 0.00 617 D 8.43 4.44 0.00 2.84 2.74 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 0.00 0.00 0.00 618 S 8.01 4.07 0.00 4.14 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 0.00 619 V 7.84 3.47 1.67 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 0.05 0.00 0.00 0.72 0.00 0.00 620 G 8.47 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 0.00 621 L 8.18 3.93 0.00 1.85 1.87 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 622 A 7.90 3.97 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 0.00 623 K 8.11 3.99 0.00 1.95 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.43 1.44 7.81 624 Q 8.23 3.86 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 625 I 7.85 3.70 2.03 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 1.48 0.75 0.92 0.00 0.00 626 A 7.87 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 627 L 7.92 3.93 0.00 2.01 1.69 0.92 0.80 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 0.00 628 H 8.75 4.34 0.00 3.31 3.30 0.00 5.68 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 0.00 629 A 8.21 4.00 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 0.00 630 E 8.04 3.89 0.00 2.08 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 0.00 2.31 2.40 0.00 631 L 7.93 4.03 0.00 1.94 1.73 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 632 D 8.37 4.37 0.00 2.89 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 0.00 633 R 8.11 3.85 0.00 2.05 2.09 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 634 R 8.09 3.99 0.00 1.92 1.97 0.00 3.18 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 635 A 7.96 4.02 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 0.00 636 S 8.14 4.13 0.00 3.90 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 0.00 637 E 8.09 3.98 0.00 2.21 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 0.00 2.46 2.32 0.00 638 K 8.15 4.20 0.00 2.01 1.79 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 639 Q 8.17 3.99 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 640 K 7.72 4.00 0.00 2.01 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.70 7.81 641 E 7.51 3.99 0.00 2.22 2.01 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 2.35 2.52 0.00 642 I 8.10 3.84 2.03 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 1.74 0.74 0.91 0.00 0.00 643 E 7.94 4.13 0.00 1.95 2.01 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 2.35 2.66 0.00 644 R 7.65 4.33 0.00 1.81 1.91 0.00 3.15 0.00 0.00 3.27 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 645 V 7.36 3.95 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 0.70 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.