NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 505 K 4.2841 8.1727 121.7930 56.5756 34.2699 177.5205 506 S 4.1514 8.1228 112.7633 61.1265 62.1666 174.4984 507 N 4.2831 8.2976 119.0512 55.9911 38.8596 176.4953 508 K 3.8607 8.0870 120.5317 59.7836 32.2243 178.6164 509 L 4.1687 8.2812 119.1598 57.8574 41.5146 179.4244 510 Q 3.7184 8.7011 118.4912 58.9273 28.4785 178.5718 511 N 4.2682 8.0958 117.8748 56.6328 39.0328 176.8961 512 L 3.9966 8.0561 120.3788 57.9162 41.6628 179.7519 513 V 3.6215 8.3639 118.3320 65.7341 31.3772 177.9246 514 A 3.6424 8.2204 120.6510 55.2023 18.2273 179.4409 515 E 3.9504 8.4729 117.4001 59.5409 29.3721 179.4709 516 Q 3.9331 8.1414 119.5269 59.1693 29.1524 178.2766 517 L 3.7146 7.8724 120.2543 57.6437 41.4492 179.6433 518 V 4.4112 7.6913 120.0506 65.6245 31.2812 178.1999 519 G 3.7876 8.2444 104.5236 47.6271 0.0000 174.2807 520 C 4.7680 7.6966 116.6164 59.3363 28.3889 174.4247 521 G 3.9698 8.2693 108.6471 45.4083 0.0000 174.0481 522 F 4.6907 8.5698 118.4442 57.0532 40.9153 174.2138 523 N 5.3707 9.2600 118.8094 51.2959 41.4122 173.9146 524 E 3.4735 8.6916 124.5080 55.8170 30.3401 175.6045 525 I 4.4432 8.2731 119.5547 58.8694 41.0098 174.7717 526 L 4.5417 8.0581 123.4019 53.5497 44.3140 175.1160 527 N 5.0622 9.1539 123.6946 50.9011 41.3956 174.5061 528 N 4.5265 8.5018 118.0601 53.7904 39.1828 175.8659 529 S 4.4166 8.5798 117.4608 60.7688 63.5228 174.5255 530 L 4.3523 7.7851 122.7564 55.3465 42.6935 176.0098 531 T 4.5995 9.0598 120.2884 61.3215 71.6761 171.1829 532 R 4.5592 8.3584 121.7177 54.7159 30.8769 177.4455 533 A 4.1867 8.8360 129.3607 55.4347 18.4784 178.7433 534 A 4.2167 7.7394 119.5491 54.4580 18.2391 179.0710 535 Y 4.0487 7.4675 114.9038 60.8489 38.0613 177.3522 536 Y 4.6266 8.1887 115.8099 56.8302 37.9307 175.0002 537 D 4.5908 7.5948 121.6626 55.9592 41.2326 177.4741 538 G 4.0619 9.0050 111.1360 45.8742 0.0000 173.4528 539 L 4.5079 8.1046 122.5832 55.2077 42.3506 178.1312 540 E 4.5630 9.2288 117.4821 57.0087 31.4988 178.2755 541 S 4.2230 8.0331 111.6134 60.9315 63.3000 174.1699 542 Y 4.7263 7.5588 118.0522 54.5955 38.4371 172.7731 543 P 4.8040 0.0000 0.0000 61.5013 32.8272 177.5886 544 S 4.2497 9.0486 116.4182 61.4113 62.3732 176.5063 545 K 4.2423 8.1245 117.5973 59.0208 32.7159 177.0025 546 N 5.1542 8.1079 116.3276 52.2406 38.6728 174.6717 547 L 4.3345 7.6561 119.0240 54.4621 42.3470 177.1528 548 V 3.9681 8.0051 121.5948 61.8376 32.8046 174.7138 *550 L 4.0593 7.9894 121.7551 54.1480 42.6466 177.1774 551 L 4.0721 8.6011 124.5199 57.7304 42.3937 177.1001 552 N 4.9650 7.5457 114.7720 49.9898 38.6514 171.9125 553 P 4.3795 0.0000 0.0000 62.5693 32.4333 177.7381 554 L 4.0971 8.3377 121.0993 57.6708 41.9923 176.9241 555 S 4.4384 7.4208 110.4370 57.2963 65.0604 175.7799 556 A 3.9228 8.6300 122.9622 54.9389 17.9422 178.0695 557 D 4.5671 7.7093 113.1888 54.8043 41.8522 177.3143 558 L 4.8725 7.8303 119.7374 53.2610 42.6541 175.9187 559 N 5.1020 8.8161 112.6199 52.0810 40.3707 175.1064 560 C 4.5203 7.4709 117.7427 58.5315 33.8029 174.8080 *562 R 4.5366 8.4694 114.0054 56.0370 29.8860 175.8182 563 Q 4.5454 8.9085 120.2705 56.5330 29.9164 175.5373 564 T 4.4134 7.6037 109.8360 59.0100 70.0966 174.1128 565 L 4.2485 8.2899 125.8350 57.0069 41.6848 179.1612 566 L 3.5333 7.4313 121.1170 58.3668 41.6661 179.1430 567 F 3.7804 7.3343 116.8178 60.2327 38.8185 177.6723 568 G 3.7495 8.2582 105.0972 47.6987 0.0000 175.7756 569 G 2.1191 7.5101 107.1590 46.8775 0.0000 175.8688 570 L 3.7595 7.3280 121.1640 57.3395 41.1772 179.2533 571 E 4.0645 8.1790 118.7924 59.6824 29.2216 179.6328 572 S 4.0356 7.6670 113.7384 61.4888 63.2165 176.5792 573 I 3.9731 7.8431 122.3129 64.2773 36.6489 178.0306 574 A 4.0787 7.9032 122.7281 56.4528 18.3367 179.8612 *575 H 4.4046 8.3136 114.7583 58.4055 28.0752 177.9856 576 N 5.1068 7.4874 115.1522 52.7278 39.8055 174.8473 577 A 4.1155 7.6127 123.2987 52.5423 18.9797 177.2414 578 N 5.0893 8.2657 117.3924 51.7459 40.6138 174.2796 579 R 4.3411 8.4215 117.8469 56.6990 31.3919 177.5709 580 K 4.1549 7.9139 118.9371 55.1082 32.0792 181.2943 581 N 4.9980 8.4246 112.0270 54.4087 39.1287 175.0163 582 A 4.7591 7.6654 119.8087 49.9945 21.5377 177.1500 583 D 4.4200 8.3948 121.5659 54.2638 41.7485 175.9540 584 L 4.0842 8.5178 123.5081 53.7517 43.4482 176.0309 585 K 4.4271 7.8426 121.6003 54.5910 35.2769 175.0815 586 F 6.3000 9.5687 124.0613 54.9324 42.9325 174.5743 587 F 5.8812 8.7038 114.8705 55.7052 41.9698 172.8979 588 E 4.9208 9.4178 120.5161 54.9853 33.2707 173.6765 589 F 4.8256 8.8857 125.6170 56.3944 40.5714 175.2760 590 G 4.1856 8.1297 108.1585 45.5219 0.0000 172.3380 591 N 5.3161 9.0656 118.5793 53.1660 39.7259 174.3383 592 C 5.0651 8.9651 119.4077 58.2107 32.3975 172.3966 593 Y 5.4099 9.0188 116.8558 56.8452 42.1178 174.2952 594 H 5.2062 9.5599 121.2367 54.6588 33.8790 171.5376 595 F 5.3081 9.2385 127.7783 57.0451 40.9030 173.4250 596 D 4.0610 9.1156 124.6009 55.4287 43.3503 176.3297 *606 L 4.3971 7.8621 117.6526 54.2423 43.7025 177.9665 607 A 4.6943 7.4477 119.8248 49.7639 18.9191 173.6569 608 P 4.2889 0.0000 0.0000 63.8961 32.4624 176.3728 609 Y 5.6672 7.7329 117.4348 56.6990 39.2974 175.0595 610 S 5.1576 9.5558 118.4927 56.5753 67.2700 172.4949 611 E 5.2792 8.7682 117.1419 54.8358 32.6264 174.1268 612 D 4.9332 8.8740 119.5731 52.3297 44.0278 172.9399 613 Y 5.3359 8.6498 119.7874 56.3506 41.4118 173.9626 614 H 5.3009 9.1180 122.6669 53.8558 33.6378 171.9873 615 L 4.4740 8.7540 122.9381 53.2484 44.0609 175.3330 616 G 3.9493 8.9371 114.1295 44.3053 0.0000 172.0659 617 L 5.5422 7.8610 122.0211 52.4113 45.7087 175.6102 618 W 5.5789 9.8832 122.3633 55.0092 33.0733 174.4714 619 V 4.7694 9.3769 124.5514 61.2532 33.9278 174.8883 620 T 4.4821 8.6639 118.7749 60.7739 69.8682 175.0089 621 G 4.3234 8.5867 112.1477 46.1513 0.0000 171.8068 622 K 4.3904 9.0511 127.4811 57.3192 33.7482 180.3447 *624 V 4.0656 8.8848 113.8414 62.4898 32.4427 173.2118 625 S 4.6505 8.3519 119.9387 57.7831 65.6896 173.0850 626 N 4.8914 8.5151 114.9708 52.6377 37.2864 174.9135 627 S 4.5266 7.6263 112.6057 57.5022 63.3338 173.6404 628 W 4.1074 8.5227 134.2324 58.3923 31.0747 174.0416 629 A 3.4529 7.1377 129.3550 52.3644 17.9997 177.9058 *633 E 4.3084 8.6275 122.2330 57.0066 31.8950 178.7902 634 N 4.2570 8.1608 118.9551 57.9349 37.5064 181.3233 635 T 4.0343 7.7653 115.0598 64.6549 67.4888 176.4110 636 S 3.6856 7.6765 117.0607 61.3213 62.7839 176.5177 637 V 3.7380 7.7617 123.3098 66.6960 30.9736 178.3843 *638 Y 3.9654 7.3842 120.1838 61.6992 37.1451 180.4820 639 E 4.1385 7.8746 120.7950 59.1156 29.7649 178.7075 640 L 4.2779 7.7770 120.0097 57.7596 42.1410 178.4355 641 K 3.1140 8.1498 119.6967 59.4066 31.9760 178.4257 642 A 3.7893 7.3097 119.4920 55.3583 18.2673 179.2263 643 Y 4.0248 7.4129 114.6928 61.1408 37.8841 178.8839 644 V 3.0544 7.3934 119.1772 65.6457 31.4107 177.6965 645 E 3.7299 8.1780 119.4538 59.3632 29.4873 178.5870 646 N 4.3278 8.0695 116.4015 55.8553 38.5434 177.6542 647 I 3.6708 7.5419 121.5164 64.3585 37.2412 178.1940 648 F 4.4931 7.9913 118.7725 60.8434 38.7128 177.8726 649 K 3.9789 8.3839 118.1101 59.5891 31.6216 179.3702 650 R 3.9175 7.9248 117.8789 59.0114 30.0784 177.6350 651 L 4.3719 7.7616 116.2311 54.0800 41.8297 177.2948 652 G 3.9003 7.9317 106.9646 46.0453 0.0000 174.0439 653 L 3.8972 7.7205 119.4612 54.1443 42.2395 176.7376 654 D 4.5302 8.3452 122.7008 52.8190 40.8862 176.5043 655 L 3.9578 8.4088 128.2352 58.2637 41.7515 179.2967 656 H 4.5466 7.8855 113.1898 57.3137 28.8918 176.0970 657 S 4.3398 7.8189 113.3789 59.2333 63.4290 174.0756 658 L 4.7023 7.5048 121.4226 53.5782 43.4506 176.0095 659 V 4.3518 8.5608 121.8581 61.1193 33.9922 174.3055 660 V 4.8268 8.5637 127.7823 61.1686 33.2254 174.7617 661 G 4.2508 8.9083 114.7502 44.4853 0.0000 171.7156 662 N 5.2775 8.4748 117.4549 52.2499 40.5795 174.5671 663 L 4.6683 8.4248 122.2608 54.0052 46.2531 174.6078 664 S 5.1080 8.5335 119.6873 57.3812 65.0443 172.6338 665 D 4.6731 8.9397 126.2855 52.6710 41.5876 175.1049 666 D 4.1651 8.8033 117.4236 56.2077 39.8895 177.2458 667 I 3.9474 7.7898 120.7889 63.0330 38.0967 174.8280 668 Y 5.3565 8.3403 118.4723 56.3451 39.6242 177.2752 669 S 4.2959 9.1084 119.4836 61.2774 64.1047 174.9881 670 T 4.7946 7.8844 116.0973 61.4402 72.5317 172.9929 671 A 4.6681 8.6154 125.7851 50.7702 23.4426 174.7079 672 L 5.0348 8.0336 119.2166 52.9149 45.2153 175.9951 673 T 4.8987 8.5690 112.7476 59.8998 71.9210 173.2339 674 V 4.8191 8.8577 123.6252 61.4035 34.3087 174.1171 675 N 5.6322 9.0296 124.1179 51.4502 43.4372 174.3817 676 T 4.4342 8.6735 111.7190 60.8976 69.7851 175.8489 677 K 3.8758 8.5605 121.3003 59.4741 32.0459 178.8963 678 G 3.5802 7.9078 105.9796 46.8644 0.0000 174.2620 679 G 3.9053 8.2177 108.3770 44.9133 0.0000 173.1866 680 K 4.1523 7.8756 121.6140 55.0991 32.8043 176.0528 681 R 4.4342 8.5484 127.0315 56.4299 30.7877 175.4194 682 L 4.7323 8.9945 124.6815 55.8292 44.6802 176.1469 683 A 5.2200 7.6639 117.4602 51.4187 22.8465 175.4641 684 T 5.0921 8.9185 116.0710 61.9761 73.1686 173.2131 685 F 5.0758 7.5696 119.2625 55.6884 41.7199 174.6280 686 G 3.5459 8.1954 106.7721 46.1961 0.0000 170.7237 687 V 4.8315 7.9506 120.6432 61.7442 32.8575 177.0883 688 V 4.3866 8.7688 129.2579 62.7213 32.0766 175.8636 689 T 3.9988 8.9226 118.3455 61.9566 68.8965 174.2911 690 K 3.9974 9.0352 123.7830 59.8524 32.4919 179.4738 691 K 3.7873 8.1337 116.1790 57.4981 32.1630 177.7803 *693 L 4.3034 8.0272 118.7585 54.3429 43.7771 179.0738 694 K 3.8630 8.2975 119.1905 59.4313 32.1840 178.7461 695 A 3.9882 8.0078 120.0073 54.4920 18.2883 177.9636 696 F 4.3552 8.0686 112.0122 56.7235 39.4055 175.1871 697 D 4.3923 7.9019 119.3772 55.4636 38.4405 173.7211 698 V 4.2288 8.0167 118.8538 61.5300 32.6411 174.5408 699 D 4.8582 8.7263 125.2253 53.8653 41.4085 174.7450 700 N 5.2946 7.6180 113.5108 50.9266 42.0121 174.2368 701 E 4.1253 9.0230 121.0266 56.6195 31.1277 176.2239 702 V 4.4537 7.9664 121.2649 61.2495 35.1386 173.4388 703 Y 5.4515 8.5813 125.7643 56.5411 40.5228 174.1013 704 Y 5.2995 9.4852 124.7890 55.7049 42.5335 173.7813 705 A 4.9616 8.3855 127.4314 49.8965 22.7983 174.3373 706 D 4.7719 9.1571 121.1259 52.4205 44.0980 174.3544 707 L 5.0328 8.7480 127.0165 53.2515 44.2362 176.5316 708 N 5.0084 9.1776 122.7528 51.4231 37.4627 175.3376 709 W 4.2047 8.9692 134.4553 60.9130 31.2963 179.0759 710 K 4.1062 8.5230 117.6899 57.7724 31.1465 179.7000 711 E 4.1313 7.8755 117.4954 58.4222 29.6741 177.0431 712 L 3.9899 7.4512 123.1869 54.7696 41.6405 176.4725 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 505 K 8.17 4.28 0.00 1.82 1.88 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.46 7.81 506 S 8.12 4.15 0.00 4.16 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 0.00 507 N 8.30 4.28 0.00 2.77 2.82 0.00 0.00 6.76 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 0.00 508 K 8.09 3.86 0.00 1.84 2.02 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.57 7.81 509 L 8.28 4.17 0.00 2.07 1.97 0.88 0.94 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 0.00 510 Q 8.70 3.72 0.00 1.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 1.16 2.45 0.00 511 N 8.10 4.27 0.00 2.83 2.99 0.00 0.00 7.26 6.73 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 0.00 512 L 8.06 4.00 0.00 2.13 1.77 0.95 0.63 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 0.00 513 V 8.36 3.62 2.37 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 1.08 0.00 0.00 1.25 0.00 0.00 514 A 8.22 3.64 1.59 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 0.00 0.00 515 E 8.47 3.95 0.00 2.17 2.04 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 2.37 2.64 0.00 516 Q 8.14 3.93 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 517 L 7.87 3.71 0.00 0.98 0.91 -0.18 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 518 V 7.69 4.41 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 1.54 0.00 0.00 1.25 0.00 0.00 519 G 8.24 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 0.00 520 C 7.70 4.77 0.00 3.31 3.34 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 0.00 521 G 8.27 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 0.00 522 F 8.57 4.69 0.00 3.18 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 523 N 9.26 5.37 0.00 2.90 2.77 0.00 0.00 6.86 8.00 0.00 0.00 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 E 8.69 3.47 0.00 1.37 1.59 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 2.00 1.65 0.00 525 I 8.27 4.44 1.41 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.58 -0.05 0.00 0.00 526 L 8.06 4.54 0.00 1.47 1.47 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 527 N 9.15 5.06 0.00 2.74 2.66 0.00 0.00 7.10 7.78 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 0.00 528 N 8.50 4.53 0.00 2.74 2.78 0.00 0.00 7.01 7.57 0.00 0.00 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 S 8.58 4.42 0.00 3.94 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 0.00 530 L 7.79 4.35 0.00 1.61 1.57 0.98 0.80 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 0.00 531 T 9.06 4.60 4.43 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 1.54 0.00 0.00 532 R 8.36 4.56 0.00 1.55 0.66 0.00 3.06 0.00 0.00 2.42 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.40 0.00 533 A 8.84 4.19 1.40 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 0.00 0.00 0.00 534 A 7.74 4.22 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 0.00 535 Y 7.47 4.05 0.00 2.44 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 0.00 536 Y 8.19 4.63 0.00 3.25 3.18 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 0.00 537 D 7.59 4.59 0.00 2.91 2.67 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 0.00 538 G 9.00 4.06 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 0.00 0.00 0.00 539 L 8.10 4.51 0.00 2.07 1.79 1.29 0.92 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 0.00 540 E 9.23 4.56 0.00 1.96 1.83 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 2.17 2.09 0.00 541 S 8.03 4.22 0.00 3.72 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.73 2.95 0.00 0.00 6.64 6.99 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 0.00 560 C 7.47 4.52 0.00 3.17 2.51 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 0.00 0.00 0.00 0.00 *562 R 8.47 4.54 0.00 2.45 2.37 0.00 3.08 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 563 Q 8.91 4.55 0.00 1.75 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 564 T 7.60 4.41 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 0.72 0.00 0.00 565 L 8.29 4.25 0.00 1.86 2.05 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 566 L 7.43 3.53 0.00 0.85 0.63 -0.19 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 567 F 7.33 3.78 0.00 3.02 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 568 G 8.26 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 628 W 8.52 4.11 0.00 3.39 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 0.00 629 A 7.14 3.45 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 *633 E 8.63 4.31 0.00 2.04 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 2.35 2.31 0.00 634 N 8.16 4.26 0.00 2.73 2.83 0.00 0.00 6.57 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 635 T 7.77 4.03 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 1.15 0.00 0.00 636 S 7.68 3.69 0.00 3.60 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 0.00 637 V 7.76 3.74 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 1.11 0.00 0.00 0.93 0.00 0.00 *638 Y 7.38 3.97 0.00 2.40 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 0.00 0.00 0.00 639 E 7.87 4.14 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.50 0.98 0.00 0.00 648 F 7.99 4.49 0.00 3.14 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 0.00 649 K 8.38 3.98 0.00 1.94 1.86 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.64 7.81 650 R 7.92 3.92 0.00 1.98 2.18 0.00 3.33 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 651 L 7.76 4.37 0.00 1.73 1.54 0.67 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 652 G 7.93 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 0.00 653 L 7.72 3.90 0.00 1.77 1.42 0.20 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 654 D 8.35 4.53 0.00 2.69 2.50 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 0.00 655 L 8.41 3.96 0.00 1.60 1.63 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 656 H 7.89 4.55 0.00 3.13 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 657 S 7.82 4.34 0.00 3.95 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 0.00 658 L 7.50 4.70 0.00 1.60 1.58 0.78 0.60 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 0.00 659 V 8.56 4.35 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 0.92 0.00 0.00 0.91 0.00 0.00 660 V 8.56 4.83 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 0.88 0.00 0.00 0.98 0.00 0.00 661 G 8.91 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 0.00 0.00 0.00 0.00 662 N 8.47 5.28 0.00 2.57 2.69 0.00 0.00 6.64 7.85 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 0.00 663 L 8.42 4.67 0.00 1.58 1.31 0.96 0.70 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 0.00 664 S 8.53 5.11 0.00 3.88 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 0.00 665 D 8.94 4.67 0.00 2.95 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 0.00 666 D 8.80 4.17 0.00 2.85 2.90 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 0.00 667 I 7.79 3.95 1.67 0.00 0.00 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 1.13 0.74 nan 0.00 0.00 668 Y 8.34 5.36 0.00 2.88 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 0.00 669 S 9.11 4.30 0.00 3.93 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 0.00 670 T 7.88 4.79 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 1.17 0.00 0.00 671 A 8.62 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 672 L 8.03 5.03 0.00 0.27 1.05 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 673 T 8.57 4.90 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 1.12 0.00 0.00 674 V 8.86 4.82 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 1.03 0.00 0.00 1.25 0.00 0.00 675 N 9.03 5.63 0.00 2.60 2.60 0.00 0.00 6.38 6.66 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 0.00 676 T 8.67 4.43 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 1.14 0.00 0.00 677 K 8.56 3.88 0.00 1.74 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.56 7.81 678 G 7.91 3.58 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 0.00 0.00 0.00 679 G 8.22 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 0.00 0.00 0.00 680 K 7.88 4.15 0.00 1.81 1.66 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.36 7.81 681 R 8.55 4.43 0.00 1.80 1.85 0.00 3.47 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 682 L 8.99 4.73 0.00 1.62 1.57 0.70 0.62 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 0.00 683 A 7.66 5.22 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 684 T 8.92 5.09 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 1.16 0.00 0.00 685 F 7.57 5.08 0.00 3.00 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 0.00 686 G 8.20 3.55 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 0.00 687 V 7.95 4.83 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 1.16 0.00 0.00 1.05 0.00 0.00 688 V 8.77 4.39 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 0.73 0.00 0.00 0.93 0.00 0.00 689 T 8.92 4.00 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 1.31 0.00 0.00 690 K 9.04 4.00 0.00 1.91 1.94 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.53 7.81 691 K 8.13 3.79 0.00 1.81 1.81 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.50 7.81 *693 L 8.03 4.30 0.00 1.94 1.94 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 694 K 8.30 3.86 0.00 1.86 2.03 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 695 A 8.01 3.99 1.29 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 0.00 696 F 8.07 4.36 0.00 2.99 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 0.00 697 D 7.90 4.39 0.00 2.87 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 0.00 698 V 8.02 4.23 2.21 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 0.77 0.00 0.00 1.00 0.00 0.00 699 D 8.73 4.86 0.00 2.63 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 0.00 700 N 7.62 5.29 0.00 2.54 2.74 0.00 0.00 7.09 7.66 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 0.00 701 E 9.02 4.13 0.00 1.82 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 2.35 2.44 0.00 702 V 7.97 4.45 2.04 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 1.24 0.00 0.00 0.86 0.00 0.00 703 Y 8.58 5.45 0.00 3.09 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 0.00 704 Y 9.49 5.30 0.00 2.94 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 0.00 705 A 8.39 4.96 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 0.00 706 D 9.16 4.77 0.00 2.49 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 0.00 707 L 8.75 5.03 0.00 1.71 1.70 0.77 0.40 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 0.00 708 N 9.18 5.01 0.00 2.76 2.79 0.00 0.00 6.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 709 W 8.97 4.20 0.00 3.62 3.50 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 0.00 710 K 8.52 4.11 0.00 1.81 1.73 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.05 7.81 711 E 7.88 4.13 0.00 2.00 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 2.36 2.43 0.00 712 L 7.45 3.99 0.00 1.24 1.23 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.