NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 515 D 4.6000 8.2233 120.1916 53.8786 43.5829 177.2236 516 P 4.0920 0.0000 0.0000 64.1182 31.1666 176.9809 517 D 4.3998 8.2363 117.7684 56.1821 39.0830 177.8814 518 K 3.9794 7.9773 120.2208 58.5728 31.9223 178.3629 519 R 4.1120 7.8647 119.1301 58.8594 30.1717 178.1591 520 R 3.8906 7.8302 118.1830 59.4686 30.1513 178.7255 521 K 3.9860 8.2928 118.2285 59.5826 31.9515 179.5405 522 T 3.8955 7.3953 113.1543 66.4371 68.2952 176.7780 523 L 3.9516 7.5662 120.8065 57.6261 41.6077 179.5058 524 V 3.5808 8.0270 118.4928 66.2945 31.3740 178.1255 525 I 3.7340 7.8441 119.2938 64.5040 36.8492 178.5155 526 I 3.7468 7.7744 120.6590 64.2769 36.8927 178.4574 527 E 3.9797 8.3020 119.5035 59.4022 28.9462 179.4229 528 K 4.0158 8.2358 118.6077 59.9521 32.1177 179.6172 529 T 3.9643 8.2977 116.1909 66.6836 68.2623 176.3015 530 Y 3.9954 8.3136 121.7514 60.4870 38.7501 178.0744 531 S 4.1584 8.3224 116.3722 61.5099 62.9220 176.5431 532 L 3.9260 7.5900 121.0628 57.6213 41.3754 179.1523 533 L 3.7364 7.7584 120.0918 58.2814 41.9425 178.7575 534 L 3.8876 7.8018 118.9006 58.0989 41.4910 179.2724 535 D 4.2702 8.3827 118.0849 57.2654 41.1492 178.5485 536 V 3.4264 7.9496 119.2053 65.9722 31.4093 177.9467 537 E 4.1307 8.6315 118.6948 59.3175 29.2463 178.8729 538 D 4.3120 8.4299 118.6098 57.4098 41.2451 177.6294 539 Y 4.0287 7.9027 119.8165 60.7151 38.9058 177.8698 540 E 4.1196 8.4380 119.5824 59.3942 29.1063 179.3673 541 R 3.8970 8.2991 118.8186 59.6977 30.2699 178.8961 542 R 3.9559 8.5110 118.1272 59.1541 29.7213 178.5463 543 Y 3.8357 7.8518 119.2699 60.5726 39.1462 177.4883 544 L 3.9186 7.8022 119.4837 57.7026 41.6369 179.3391 545 L 4.0817 7.5385 119.2076 57.9654 41.8156 178.7132 546 S 4.1541 7.6164 111.8410 60.1417 62.2295 175.4971 547 L 4.1462 6.9223 120.2445 57.5373 42.0461 178.3545 548 E 4.0816 7.9243 116.4417 58.0482 29.8385 177.3389 549 E 4.6825 7.7832 116.5069 54.1903 33.7349 175.1381 550 E 4.1308 8.6009 122.6188 56.7983 30.1927 176.3863 551 R 4.5825 8.0010 116.7718 53.9748 32.0816 172.5984 552 P 4.2257 0.0000 0.0000 62.2484 31.4834 175.3024 553 A 3.9341 8.5181 120.8719 52.3017 18.1046 177.4343 554 L 4.0536 8.4810 124.5437 55.7910 42.8253 175.9244 555 M 4.3905 8.6081 124.4660 54.1044 32.8116 174.5181 556 D 4.4582 8.6098 126.2794 52.8961 42.7007 175.2452 557 D 4.7079 7.9907 123.1004 53.2625 43.0873 176.5775 558 R 3.6913 8.1620 119.6739 58.9219 29.6893 178.3320 559 K 3.7584 7.9612 118.8425 60.1170 32.0573 177.8268 560 H 4.2422 8.0702 117.4379 59.0446 29.8681 176.8670 561 K 3.7639 7.8145 120.1425 59.7159 31.9374 179.1049 562 I 3.6563 8.1846 119.9138 64.6859 37.0757 178.2110 563 C 4.1613 7.6423 115.9088 63.0847 28.0161 176.4148 564 S 4.1410 8.0109 116.5276 61.8295 62.3244 176.6844 565 M 4.0686 8.3832 121.7188 58.5304 31.6814 178.2597 566 Y 4.1112 8.2289 119.5632 60.9169 38.8876 177.6576 567 D 4.7295 8.4708 119.5557 56.2114 40.8965 177.7805 568 N 4.6042 7.7981 116.1079 54.8049 38.8969 176.9809 569 L 4.4656 7.4263 119.3614 56.0166 42.5919 176.9010 570 R 4.4169 7.3593 116.6010 53.9617 32.9055 175.0930 571 G 4.0370 8.4058 105.7062 44.5087 0.0000 173.7145 572 K 4.3450 8.1076 119.3173 55.7165 34.1408 176.0823 573 L 4.4819 7.9801 116.9773 54.8207 43.3372 175.5526 *578 R 4.1336 7.6606 115.3187 55.9240 31.1529 173.0408 579 P 4.5106 0.0000 0.0000 62.4989 30.6181 176.1895 580 S 4.8511 8.0968 113.9922 56.6350 65.4030 175.0318 581 D 4.7233 8.6633 120.9012 57.8139 40.3754 177.7689 582 D 4.3050 7.6333 116.2618 58.0673 40.9118 177.9456 583 H 4.0446 8.2261 119.0115 59.6076 30.2643 176.8648 584 F 4.2722 8.2809 121.5347 61.3388 38.8832 176.9730 585 V 3.6314 8.7430 118.3357 66.2967 31.0154 178.0254 586 Q 4.1216 8.1473 116.9870 58.6679 28.6490 178.2530 587 I 3.8444 7.4823 121.1753 64.0309 36.9614 177.2997 588 M 4.2166 6.9908 115.5733 56.1543 32.0149 177.1942 589 C 4.2406 7.7447 116.2794 59.3894 29.5630 173.2172 590 I 4.3337 6.8647 121.8176 59.3969 38.8882 176.2321 591 R 3.8120 8.6462 124.7660 59.6611 29.8376 178.8048 592 K 4.0065 8.0238 118.8793 59.2507 32.1087 178.7350 593 G 3.7657 7.8499 106.8696 47.2196 0.0000 175.6022 594 K 3.9152 8.0293 121.3417 59.2256 31.8535 179.7448 595 R 3.9521 7.7784 117.0974 59.2040 30.1689 178.6673 596 M 4.2138 8.2848 118.2561 58.7624 32.4040 178.1739 597 V 3.6206 8.1656 118.5625 66.3230 31.3919 177.8309 598 A 3.8861 7.7051 118.6064 54.7125 18.2476 178.9957 599 R 4.2199 7.8596 114.5590 57.4002 30.8771 178.3602 600 I 4.3019 7.4605 119.7312 63.6902 37.5006 177.4341 601 L 3.9676 7.8446 120.2879 57.6394 41.3150 177.9184 602 P 4.0633 0.0000 0.0000 65.5991 30.9486 177.5380 603 F 4.5921 8.1545 115.8789 57.6216 39.4531 175.9710 604 L 4.3732 7.2977 119.0201 53.6409 42.6260 177.1673 605 S 4.4240 8.2568 116.3658 58.1116 65.0704 175.6700 606 T 3.8703 8.2639 117.9969 66.7307 68.0304 176.6971 607 E 3.9093 8.0152 119.8163 59.5873 29.5293 179.1006 608 Q 3.5570 7.6558 117.2019 58.8227 28.6150 179.1179 609 A 4.0434 8.4545 121.7100 55.1872 18.5059 179.3630 610 A 3.9413 8.2377 119.5789 55.4200 18.3223 179.2617 611 D 4.2581 8.4384 116.6357 57.6356 41.2341 178.5288 612 I 3.3373 7.6313 119.9818 64.2439 37.0383 178.1552 613 L 3.4927 8.2129 121.2263 58.1584 41.8060 178.7771 614 M 3.9800 8.4935 118.8753 58.9942 31.8739 179.0353 615 T 3.9161 8.0614 115.8083 66.7040 68.2929 177.1060 616 T 4.1098 8.1276 117.1048 66.5439 68.9714 176.1307 617 A 4.1420 8.2258 122.8972 55.3577 18.2000 179.4330 618 R 3.9195 7.7705 115.0193 59.2759 30.9539 179.6765 619 N 5.0777 8.0190 115.1907 53.1010 39.7542 177.7047 620 L 4.0715 7.8451 123.2369 58.0639 42.3802 175.6140 621 P 4.3061 0.0000 0.0000 65.7076 30.9407 178.3847 622 F 4.3308 8.2592 118.9177 61.3501 39.2467 177.1677 623 L 3.7912 7.7955 117.2197 57.4935 41.5629 179.3214 624 I 3.8632 7.9571 120.1552 64.2423 36.9744 178.2340 625 K 3.8770 7.6831 120.4091 59.3894 31.8191 178.3221 626 K 4.1811 7.3329 115.7602 57.3370 32.2249 176.9100 627 D 4.7710 7.7403 118.6382 53.7295 41.6050 177.4809 628 A 3.9718 7.7603 122.4914 55.2237 18.5305 179.9615 629 Q 4.1630 7.9666 113.1939 58.9930 29.4442 177.1502 630 D 4.3575 8.2314 115.8670 57.1840 41.2509 177.5289 631 E 4.0135 7.7571 115.4492 58.0052 27.3227 175.5355 632 V 4.2542 8.3150 109.2864 61.1481 33.2076 178.5717 633 L 3.6461 8.3872 122.1700 57.2759 41.3240 177.3766 634 P 4.6267 0.0000 0.0000 65.4852 31.0020 177.4976 635 C 4.3740 7.4425 110.9686 59.5410 29.9910 174.8616 636 L 4.0505 8.0712 122.0648 56.2887 41.4286 178.4767 637 L 4.4593 7.8121 121.2765 58.1403 41.8116 178.6158 638 S 4.1171 8.1095 112.8569 60.9894 62.5287 174.2506 639 P 4.1991 0.0000 0.0000 66.0192 31.0469 178.3010 640 F 4.6755 7.8967 117.3913 60.0661 38.5594 177.9537 641 S 3.8293 8.1000 115.2442 61.4872 62.4200 176.6206 642 L 4.0246 7.2492 120.0915 57.5013 41.5019 178.8842 643 L 4.1351 7.7866 120.0312 58.3651 41.8044 179.1204 644 L 3.9458 7.8124 118.6904 58.0157 41.2770 179.0079 645 Y 4.4366 7.1040 115.7737 60.2778 38.0636 176.6219 646 H 5.1092 7.9085 116.6752 55.5920 29.7188 173.5054 647 L 4.7876 7.3712 117.7404 52.1451 44.5254 175.7977 648 P 4.5332 0.0000 0.0000 61.9706 33.5804 177.7047 649 S 3.9962 8.3828 112.3117 61.5157 62.1769 176.3965 650 V 3.6998 7.6558 115.0085 64.2469 31.3361 178.5797 651 S 4.1379 7.9287 114.4876 61.7224 62.7955 176.5513 652 I 3.7432 7.7088 122.4547 64.5860 36.7268 178.7863 653 T 4.1465 8.0241 116.6075 66.7644 68.3259 176.7576 654 S 4.1416 8.1262 117.0805 61.7744 62.8905 176.6492 655 L 3.9487 8.0446 121.3852 58.0418 41.4226 179.8332 656 L 3.9301 7.7878 118.1412 57.9276 41.5724 179.4477 657 R 3.9166 8.3595 118.4216 59.6340 29.8898 179.0886 658 Q 3.9284 8.2266 117.4158 58.9125 28.6865 178.0049 659 L 4.1017 7.9399 118.9338 58.6474 42.1007 179.7301 660 M 4.2014 8.1397 117.4769 55.8764 31.9092 176.3623 661 N 4.3954 9.0705 118.0574 53.9145 38.1632 175.8534 662 L 3.9595 8.5800 120.6291 57.2726 42.4456 175.9776 663 P 4.4105 0.0000 0.0000 65.2272 32.2250 176.7566 664 G 4.0517 7.6269 110.0355 45.5156 0.0000 174.4022 665 S 4.3601 8.5389 120.8941 56.3699 62.9991 171.7826 *674 P 5.0339 0.0000 0.0000 63.2683 32.3281 175.4154 675 H 4.8657 7.8757 112.5800 55.4222 30.5279 173.8318 676 L 4.7136 8.2241 117.4477 53.6978 44.8943 178.3415 677 T 3.8592 8.3283 115.9105 66.9788 68.0816 175.3673 678 A 4.0219 8.0372 120.4233 55.3839 18.6836 179.4355 679 V 3.6972 7.7089 115.9485 66.2320 31.8236 178.1764 680 L 4.1002 8.3297 118.8055 57.2589 41.1148 178.4307 681 Q 4.5572 7.5212 115.1623 54.8592 29.0366 174.6852 682 N 5.0232 8.0212 117.9901 51.3225 41.5859 174.7139 683 K 3.8511 9.0427 125.5733 60.0758 32.6618 178.8516 684 F 4.3490 8.5404 119.6592 61.2175 39.4174 177.0009 685 G 3.5288 8.0074 105.2809 47.7763 0.0000 175.1381 686 L 3.9167 8.3026 123.6801 57.7728 42.1056 179.0884 687 S 4.0511 7.7486 114.4248 61.5582 62.8148 176.3779 688 L 3.7344 7.6203 122.8960 58.1877 41.7382 178.7591 689 L 3.9142 7.8461 120.0183 58.1729 41.9115 178.9747 690 L 4.0783 7.8445 119.0109 57.6369 41.6186 179.3959 691 I 3.7768 7.9034 119.9096 64.1368 36.9470 178.3990 692 L 3.9797 7.9165 119.8700 57.9422 41.3311 179.3502 693 L 4.1625 7.6643 117.5970 58.1494 41.9837 179.4213 694 S 4.1971 8.1121 112.9360 61.2876 62.1465 176.1750 695 R 4.0307 8.1620 121.6702 59.2454 29.6819 178.1331 696 G 3.0313 7.8873 102.7136 45.5316 0.0000 174.7935 697 E 4.1317 7.8879 122.1343 59.1840 29.5196 178.2177 698 D 4.3890 7.8181 117.3027 57.4130 41.1562 178.2931 699 L 4.0246 7.1851 115.3403 55.3691 42.0788 177.0117 700 Q 4.3122 6.6677 116.9904 54.2684 30.5577 175.2362 *710 Q 4.3782 8.5187 122.0943 56.2792 31.1485 176.6349 711 N 4.4054 8.2964 115.2526 57.0934 38.9109 176.0425 712 N 4.4385 8.3880 118.5639 55.7970 38.5031 176.8132 713 Q 3.9953 7.9796 120.7706 59.0108 29.1816 178.1000 714 W 4.1667 8.3549 129.5412 60.8085 30.3702 177.8416 715 T 3.8234 8.3100 109.2448 64.8423 67.5589 175.5565 716 E 4.1308 8.5055 122.0577 59.5066 29.8981 179.3831 717 V 3.6744 7.4919 111.6409 64.0453 31.4288 178.3866 718 M 3.4701 7.4462 118.4757 58.3213 31.8382 178.0366 719 F 4.2915 8.0151 119.3495 60.3097 39.1599 177.6100 720 M 4.0825 7.8588 116.6659 58.0203 31.8587 178.5946 721 A 3.9584 7.7991 121.0441 55.2143 18.6156 179.8645 722 T 3.7124 7.9947 108.3241 65.1308 68.9174 177.0662 723 R 4.1166 8.4082 120.9360 57.5649 29.6971 177.6617 724 E 4.3367 7.9990 118.1509 57.0108 30.2635 177.1823 725 L 4.0892 7.7383 117.5428 56.3512 41.6978 178.5039 726 L 4.2327 7.3708 118.3750 57.1863 42.2878 178.6520 727 R 3.9525 7.4658 117.0414 58.0995 30.3258 176.7783 728 I 3.8279 6.8125 118.5756 59.8876 38.7665 173.8073 729 P 4.4411 0.0000 0.0000 62.0668 31.7174 175.9619 730 Q 3.9337 8.1002 119.6626 59.2853 29.3152 178.0416 731 A 4.0956 7.8384 123.3462 54.4445 19.3366 178.6471 732 A 4.1254 7.7477 118.9611 55.0098 18.6557 177.9987 733 L 4.3374 7.5167 114.3470 55.4425 42.2191 177.8102 734 A 4.3825 8.4813 125.1968 51.0589 20.5265 176.8370 735 K 4.3928 8.4003 120.7816 54.2339 32.3421 174.5692 736 P 4.3755 0.0000 0.0000 62.9008 31.8525 176.6165 737 I 3.8981 8.6555 124.0544 63.8986 37.2197 176.5331 738 S 4.7744 7.7726 111.7158 56.3332 65.7831 173.5188 739 I 4.4691 8.0517 121.3660 58.8001 39.3252 173.7539 740 P 4.4176 0.0000 0.0000 63.1313 31.8619 176.8368 741 T 4.2260 8.4526 110.7811 63.8261 69.7454 175.1931 742 N 4.9765 7.9419 118.7998 53.2165 38.1784 176.9698 743 L 4.0377 7.7396 121.8595 58.1756 41.8054 178.6460 744 V 3.7560 7.8798 116.9173 66.0364 31.7104 177.4492 745 S 4.3267 7.9712 112.3764 60.6629 62.5231 175.6095 746 L 4.1206 7.3269 121.6754 58.3881 41.9094 179.0981 747 F 4.5510 7.8100 117.3356 60.5566 38.5284 177.7741 748 S 4.2466 7.6567 113.5276 61.6740 62.6895 176.4744 749 R 4.0247 8.0297 118.9435 58.0473 29.8096 177.5176 750 Y 4.2778 7.9037 115.5912 58.1900 39.2929 175.6249 751 V 4.6865 7.2300 109.1508 59.2895 36.0431 174.5959 752 D 4.7301 8.3231 120.2576 53.7340 41.3902 177.8862 753 R 3.9283 8.6798 119.6205 59.9429 29.8736 179.2278 754 Q 4.0497 7.9848 117.2326 59.0318 29.0889 178.5829 755 K 4.1221 7.9193 118.4163 58.5661 32.1649 179.1204 756 L 3.9945 8.1723 121.6941 58.1504 42.0068 178.6002 757 N 4.6000 7.9968 116.1187 55.9817 38.3477 177.1733 758 L 3.9127 7.3897 119.9659 57.8669 41.6803 179.1436 759 L 3.8232 7.7296 118.2413 58.1998 41.6010 179.3565 760 E 3.9704 7.9622 117.6941 60.1644 29.2820 179.7653 761 T 3.9373 7.8195 114.7026 66.2080 68.5314 176.4390 762 K 4.1344 7.9605 121.3179 58.4150 32.4032 177.8711 763 L 4.5032 7.9094 115.7765 53.4469 42.3780 176.5156 764 Q 3.8632 8.0514 123.9104 56.4899 29.4320 173.3311 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 515 D 8.22 4.60 0.00 2.77 2.73 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 0.00 516 P 0.00 4.09 0.00 2.27 2.10 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 517 D 8.24 4.40 0.00 2.95 2.92 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 0.00 518 K 7.98 3.98 0.00 1.85 1.92 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 519 R 7.86 4.11 0.00 1.98 2.07 0.00 3.18 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 520 R 7.83 3.89 0.00 1.95 2.04 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 521 K 8.29 3.99 0.00 1.85 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.82 7.81 522 T 7.40 3.90 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 1.18 0.00 0.00 523 L 7.57 3.95 0.00 1.87 1.68 0.90 0.68 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 0.00 524 V 8.03 3.58 2.24 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 1.12 0.00 0.00 1.00 0.00 0.00 525 I 7.84 3.73 2.03 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 1.80 0.86 0.97 0.00 0.00 526 I 7.77 3.75 2.01 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 1.51 0.83 0.89 0.00 0.00 527 E 8.30 3.98 0.00 2.15 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 2.49 2.47 0.00 528 K 8.24 4.02 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 529 T 8.30 3.96 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 530 Y 8.31 4.00 0.00 3.34 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 0.00 531 S 8.32 4.16 0.00 4.14 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 0.00 532 L 7.59 3.93 0.00 1.83 1.65 0.91 0.45 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 0.00 533 L 7.76 3.74 0.00 1.64 1.52 1.07 0.45 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 0.00 534 L 7.80 3.89 0.00 1.96 1.70 0.70 1.44 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 0.00 535 D 8.38 4.27 0.00 2.88 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 0.00 536 V 7.95 3.43 1.69 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 -0.24 0.00 0.00 0.64 0.00 0.00 537 E 8.63 4.13 0.00 2.00 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 2.54 2.53 0.00 538 D 8.43 4.31 0.00 2.90 2.87 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 0.00 0.00 0.00 539 Y 7.90 4.03 0.00 3.02 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 0.00 540 E 8.44 4.12 0.00 2.38 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 0.00 2.76 2.83 0.00 541 R 8.30 3.90 0.00 2.03 2.10 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 542 R 8.51 3.96 0.00 1.82 1.88 0.00 3.16 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 543 Y 7.85 3.84 0.00 2.34 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.07 4.24 0.00 3.26 3.39 0.00 5.94 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 0.00 561 K 7.81 3.76 0.00 1.82 1.74 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.53 7.81 562 I 8.18 3.66 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 1.40 0.75 0.99 0.00 0.00 563 C 7.64 4.16 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 0.00 564 S 8.01 4.14 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 0.00 565 M 8.38 4.07 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 566 Y 8.23 4.11 0.00 3.08 3.14 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 0.00 567 D 8.47 4.73 0.00 2.84 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 0.00 568 N 7.80 4.60 0.00 2.96 2.92 0.00 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0.00 0.00 1.99 1.62 0.00 589 C 7.74 4.24 0.00 3.02 2.88 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 0.00 590 I 6.86 4.33 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 1.25 0.96 0.87 0.00 0.00 591 R 8.65 3.81 0.00 1.82 1.88 0.00 3.14 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 592 K 8.02 4.01 0.00 1.73 1.68 0.00 1.50 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.23 7.81 593 G 7.85 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 0.00 594 K 8.03 3.92 0.00 1.90 1.78 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.45 7.81 595 R 7.78 3.95 0.00 1.99 2.04 0.00 3.18 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 596 M 8.28 4.21 0.00 2.31 2.42 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 597 V 8.17 3.62 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 1.11 0.00 0.00 1.05 0.00 0.00 598 A 7.71 3.89 1.32 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 0.00 0.00 0.00 599 R 7.86 4.22 0.00 1.93 2.15 0.00 3.18 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 600 I 7.46 4.30 2.07 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 1.71 0.86 1.05 0.00 0.00 601 L 7.84 3.97 0.00 1.55 1.66 0.24 1.01 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 0.00 602 P 0.00 4.06 0.00 1.62 1.95 0.00 3.54 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 603 F 8.15 4.59 0.00 3.15 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 0.00 604 L 7.30 4.37 0.00 1.76 1.56 1.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 605 S 8.26 4.42 0.00 3.98 3.94 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 730 Q 8.10 3.93 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 731 A 7.84 4.10 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 0.00 732 A 7.75 4.13 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 0.00 733 L 7.52 4.34 0.00 1.74 1.63 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 734 A 8.48 4.38 1.28 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 0.00 735 K 8.40 4.39 0.00 1.79 1.78 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.44 7.81 736 P 0.00 4.38 0.00 2.38 2.06 0.00 3.83 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 2.01 2.01 0.00 737 I 8.66 3.90 1.92 0.00 0.00 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 1.41 0.60 0.96 0.00 0.00 738 S 7.77 4.77 0.00 3.96 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 0.00 739 I 8.05 4.47 1.90 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 1.44 0.70 0.95 0.00 0.00 740 P 0.00 4.42 0.00 2.05 2.03 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.14 0.00 741 T 8.45 4.23 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 0.00 742 N 7.94 4.98 0.00 2.87 3.05 0.00 0.00 6.27 6.67 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 0.00 743 L 7.74 4.04 0.00 1.70 1.79 0.98 0.84 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 0.00 744 V 7.88 3.76 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 0.95 0.00 0.00 0.99 0.00 0.00 745 S 7.97 4.33 0.00 3.94 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 0.00 746 L 7.33 4.12 0.00 1.72 1.38 1.11 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 747 F 7.81 4.55 0.00 3.20 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 0.00 748 S 7.66 4.25 0.00 4.18 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 0.00 749 R 8.03 4.02 0.00 1.46 1.76 0.00 3.22 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.07 0.00 750 Y 7.90 4.28 0.00 3.13 2.92 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 0.00 751 V 7.23 4.69 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 0.89 0.00 0.00 1.05 0.00 0.00 752 D 8.32 4.73 0.00 2.73 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 0.00 753 R 8.68 3.93 0.00 1.83 2.02 0.00 3.32 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 754 Q 7.98 4.05 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 755 K 7.92 4.12 0.00 1.80 1.83 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.50 7.81 756 L 8.17 3.99 0.00 1.95 1.88 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 757 N 8.00 4.60 0.00 3.01 2.85 0.00 0.00 7.00 6.40 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 0.00 758 L 7.39 3.91 0.00 1.95 1.67 0.90 0.52 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 0.00 759 L 7.73 3.82 0.00 1.70 1.45 0.18 0.41 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 0.00 760 E 7.96 3.97 0.00 2.12 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 2.37 2.54 0.00 761 T 7.82 3.94 4.23 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 1.21 0.00 0.00 762 K 7.96 4.13 0.00 1.97 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 763 L 7.91 4.50 0.00 1.64 1.68 0.92 1.25 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 0.00 764 Q 8.05 3.86 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.