NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 426 M 4.6215 8.3001 120.3319 56.1816 33.5816 174.3463 427 A 2.9787 8.5908 122.1253 52.1000 16.4308 173.4850 428 V 3.6908 8.5166 124.0645 63.0573 32.7285 173.3242 429 I 4.2508 8.2195 129.4903 60.8904 37.4671 175.4499 430 T 4.7052 8.0956 115.0163 58.7068 71.5278 172.5867 431 P 3.8868 0.0000 0.0000 64.7635 31.9278 176.6696 432 Q 4.4998 8.0353 116.1178 53.8956 29.3536 174.1225 433 G 4.1120 7.7189 105.5764 44.1083 0.0000 172.0511 434 V 4.6298 8.2984 120.3459 61.2963 32.5583 175.6244 435 T 4.5170 8.7174 117.9631 60.6222 71.2329 173.5961 436 N 4.5041 8.6442 115.9106 53.5990 35.7286 175.8819 437 W 5.4983 7.7997 126.8542 55.9535 31.9574 173.9878 438 T 4.3707 8.8817 116.5538 59.9483 71.4503 174.9411 439 Y 3.7131 8.2548 121.4781 60.9180 38.8399 178.1005 440 Q 3.7850 7.8826 118.3410 58.8895 28.9552 178.5865 441 E 3.7537 7.7710 119.5662 58.9900 29.4696 179.0215 442 L 3.1905 6.7009 120.3958 57.8151 41.9537 178.6249 443 E 3.6231 7.6903 119.1937 59.1839 29.5083 178.6715 444 A 4.3503 7.5392 121.7161 54.8514 18.2858 179.8200 445 T 3.8398 7.7583 114.0694 66.9072 68.5114 176.3294 446 H 4.0437 8.6904 120.4903 59.5176 29.7804 177.2512 447 Q 3.9544 8.4435 119.8702 58.9305 28.4123 178.8146 448 A 3.9884 8.0802 121.7529 55.0798 18.3268 179.5829 449 L 3.8894 8.0404 117.6886 58.1880 41.6268 179.8798 450 T 4.1152 7.9626 116.9840 66.2397 68.2272 176.6645 451 R 3.9491 7.9077 119.0914 59.2688 30.1733 177.6419 452 E 4.3157 8.2522 116.3633 56.8528 29.8052 177.3792 453 G 3.7888 8.3017 108.1725 45.5455 0.0000 172.3201 454 Y 5.1579 8.2047 116.6161 55.8986 41.1572 175.0014 455 V 4.5584 8.8337 121.6192 60.7950 34.9336 174.5487 456 F 3.8396 9.0179 130.3266 58.4367 39.2863 174.8585 457 V 3.9100 8.7610 118.0734 59.6751 33.8820 175.8793 458 G 3.7028 5.3800 109.6712 45.0449 0.0000 170.3388 459 Y 5.1640 8.3459 117.6913 57.2739 40.0155 174.7052 460 H 5.1220 9.6890 123.1152 54.4767 32.6778 172.3675 461 G 4.4772 8.7167 113.1555 45.5478 0.0000 172.2330 462 T 5.0053 8.7039 117.3452 61.6702 71.7996 172.2920 463 N 4.9914 8.7264 120.2896 52.2152 38.2137 175.7061 464 H 4.2931 8.7293 114.5765 58.4220 28.5602 177.9686 465 V 3.5265 7.6079 120.5814 65.9236 31.6101 177.5880 466 A 4.0354 8.4847 120.3779 55.1352 18.1078 179.4190 467 A 3.9977 8.1988 119.2822 55.3855 18.4289 179.6210 468 Q 3.8905 7.8466 117.8836 59.5571 29.0946 178.5050 469 T 3.8596 7.7759 116.2627 66.8297 68.3036 176.6041 470 I 3.7457 7.6951 120.2394 64.4242 37.2177 178.3381 471 V 3.8685 7.7721 118.0032 65.9324 31.3516 177.5738 472 N 4.4415 8.1816 115.4631 54.2722 38.8596 175.4730 473 R 4.2964 7.2248 114.3789 55.5327 33.8325 173.7609 474 I 4.1120 8.6133 126.4557 60.9118 37.7253 175.2075 475 A 4.6341 8.2489 127.0370 49.5229 22.1225 173.7852 476 P 2.0000 0.0000 0.0000 61.5978 31.3673 176.1579 477 V 3.2876 6.4862 115.5207 63.9265 31.9187 177.1258 *487 E 4.4423 8.1584 121.0580 56.5406 32.2389 178.1888 488 K 3.7366 8.0541 117.3483 58.8554 32.2127 178.4053 489 W 4.8583 8.0502 115.2455 56.1212 29.3650 176.3900 490 G 3.9704 8.0710 108.4964 44.9920 0.0000 174.4539 491 G 2.8645 7.9158 108.9548 44.5034 0.0000 170.4980 492 L 4.3002 6.9071 122.0513 53.6466 43.4428 175.2063 493 Y 4.9054 8.7304 124.0839 56.9567 39.4446 175.2145 494 V 4.9960 8.9155 115.9873 59.8740 37.0571 174.0792 495 A 5.1232 9.0353 122.4951 50.8787 22.0622 177.7855 496 T 4.1538 8.9318 111.2141 63.8596 69.7919 174.2515 497 H 4.7049 8.3046 122.5529 54.6902 30.1443 175.0062 498 A 3.8744 8.7214 130.0387 55.2974 18.0852 178.3894 499 E 3.7681 7.9059 117.2057 59.4120 29.3479 179.0606 500 V 3.5987 7.6569 117.0835 66.1362 31.9391 177.6203 501 A 4.3688 8.0968 119.9537 55.4962 18.3448 178.8393 502 H 4.1701 8.6580 117.2608 59.2983 29.6252 177.6361 503 G 3.4692 7.8931 106.6762 46.9840 0.0000 174.1311 504 Y 4.6003 7.8266 116.5974 57.2817 39.8372 175.6337 505 A 4.8276 7.7359 126.6035 49.4216 17.4078 176.5254 506 R 4.7571 7.0993 115.6393 54.3321 31.9910 175.8111 507 I 3.9026 8.2651 120.6134 61.8679 37.5564 176.9293 508 K 4.6596 8.7083 122.3882 56.4779 33.7405 176.1714 509 E 4.9006 7.9706 117.2015 54.5796 33.4827 175.0670 510 G 3.7781 8.7687 110.9443 44.5328 0.0000 173.6192 511 T 4.3683 8.8354 110.4904 60.9679 69.5036 175.2353 512 G 3.9128 8.0241 113.1115 44.5207 0.0000 172.7680 513 E 3.8779 8.5464 116.7866 57.6135 30.0207 176.4421 514 Y 3.4675 8.8468 117.6012 59.1628 35.4959 171.1008 515 G 3.9732 8.0111 106.5961 45.5158 0.0000 174.3936 516 L 4.2318 7.8563 120.6020 53.6113 42.2156 174.9655 517 P 4.4946 0.0000 0.0000 62.3792 32.0249 176.9235 518 T 4.1031 8.3809 111.9891 61.2289 70.8357 175.4389 519 R 3.8210 8.4375 120.1842 59.5965 30.1391 177.9917 520 A 3.9835 8.0138 119.9759 55.4224 18.0996 179.3497 521 E 3.9613 7.7980 115.8102 59.4213 29.5712 179.4418 522 R 4.1215 8.1110 117.7718 59.1432 30.3050 178.1770 523 D 4.6371 8.1004 115.6869 54.0981 41.4478 176.8330 524 A 4.3693 7.1107 121.8847 52.2716 19.0675 176.6553 525 R 4.8615 8.5078 118.5442 54.3521 33.5903 176.8540 526 G 4.0432 8.8610 110.3222 45.8403 0.0000 171.8908 527 V 4.9097 8.8160 118.9672 61.2913 35.0320 174.7723 528 M 4.8163 8.8128 127.2092 54.6741 33.2614 175.1910 529 L 5.3070 9.3375 124.4691 53.2641 45.3088 175.6137 530 R 5.0374 9.4519 120.8348 54.7266 32.4780 175.3030 531 V 5.0382 8.5438 124.2516 61.4108 34.0902 173.9947 532 Y 5.3334 9.3387 124.8190 56.1511 41.8935 174.5063 533 I 5.0286 8.5355 115.8338 58.1708 41.3787 173.4044 534 P 4.3120 0.0000 0.0000 62.3665 32.0957 177.6162 535 R 3.7520 8.6038 121.9126 59.6697 29.9677 178.9931 536 A 4.0316 7.8232 119.6345 54.7830 18.4101 179.2253 537 S 4.2311 8.0543 113.3808 60.7176 62.6978 176.3133 538 L 3.9184 7.8245 122.2125 57.3361 40.9878 178.7389 539 E 3.9415 7.8852 118.6728 58.2110 29.7659 177.1081 540 R 4.0272 7.9522 118.0390 55.7388 31.6759 175.7079 541 F 4.6608 7.5294 123.5273 56.6216 40.3811 173.5698 542 Y 4.9442 8.1199 123.1725 56.1883 40.3063 174.5553 543 R 4.9365 8.6224 120.8320 54.9723 33.0745 174.1294 544 T 4.8772 9.0255 118.7212 60.4685 70.6899 174.4186 545 N 4.5451 8.9128 122.7558 55.1777 39.2015 175.9320 546 T 4.0458 7.6308 116.2877 62.2649 69.0887 172.6762 547 P 4.4096 0.0000 0.0000 63.0819 32.1772 177.3288 548 L 3.9917 8.6785 122.7763 57.8160 41.4650 179.7441 549 E 3.7480 8.0764 116.9429 58.5251 29.0634 177.7829 550 N 4.8050 8.0506 114.9138 52.8676 39.3473 175.3247 551 A 4.6234 7.8175 121.8196 51.6295 19.5437 178.2138 552 E 3.7724 8.2711 120.0299 59.7842 29.5365 178.7110 553 E 3.8823 8.1040 117.8565 59.5571 29.5842 178.7115 554 H 4.1036 8.0531 117.6615 59.3234 30.0611 177.1497 555 I 2.9239 7.7214 122.1783 64.3466 36.8160 178.5684 556 T 3.9234 7.7221 111.9635 64.3214 68.2545 176.6386 557 Q 3.9045 7.4966 120.2317 58.5175 28.7820 178.4360 558 V 3.5936 7.4120 118.6680 65.7586 31.7154 177.6832 559 I 3.9460 7.5366 110.5243 61.3336 37.7894 176.7876 560 G 3.8579 9.2852 108.7863 45.4869 0.0000 172.2760 561 H 4.6179 7.1819 113.3309 54.1274 30.7705 173.2511 562 S 4.1709 8.3830 114.7863 57.6061 63.5593 174.1404 563 L 3.9478 7.9503 121.4477 54.1111 41.8451 175.5548 564 P 4.9159 0.0000 0.0000 61.1684 32.3358 176.0807 565 L 4.3479 8.1465 118.9170 55.4660 43.4639 175.8296 566 R 4.4802 9.3730 119.1294 56.6842 29.6193 178.5316 567 N 5.1125 9.0268 124.1585 52.9872 37.6542 172.2491 568 E 5.1354 7.5191 119.0215 55.1439 35.2952 175.5660 569 A 5.0773 8.8965 121.9688 50.1850 23.0020 174.9096 570 F 4.7988 8.9825 121.3941 56.6197 43.0522 173.8145 571 T 5.0327 8.3625 121.8028 61.7869 71.9752 173.3921 572 G 4.2608 8.3387 110.6470 44.9713 0.0000 170.5801 573 P 4.9875 0.0000 0.0000 62.9567 31.9176 177.5422 574 E 4.5581 9.5744 121.4370 57.1187 30.6873 175.9498 575 S 5.1097 7.8495 113.1041 58.0602 65.4181 173.4402 576 A 3.7787 8.5118 123.5325 53.6427 17.7113 177.4744 577 G 3.8242 8.8816 110.1599 46.5545 0.0000 172.9187 578 G 4.1140 7.6797 107.1682 43.7956 0.0000 173.7502 579 E 4.4062 8.5238 118.9485 56.0851 30.7889 176.7451 580 D 5.1361 8.6007 121.0289 54.5106 41.7846 175.4972 581 E 4.9566 9.2691 118.5446 54.9683 33.8720 174.4599 582 T 4.6965 8.9150 116.5580 61.7795 72.3521 173.1919 583 V 3.5697 8.5853 126.9505 61.1563 33.3366 174.5078 584 I 4.3188 8.2253 130.6153 59.4256 38.5119 175.8842 585 G 4.0728 8.7184 115.4326 45.5601 0.0000 174.1186 586 W 4.6153 8.8991 122.4949 59.9539 28.9421 178.6437 587 D 4.5540 8.2696 116.9821 56.8148 40.5253 177.8357 588 M 4.3841 7.9639 118.4333 58.2596 32.5928 177.7537 589 A 4.0953 8.4990 121.5263 54.9706 18.2931 179.2555 590 I 4.0714 7.9840 110.2853 63.3228 37.7418 176.4240 591 H 4.7423 8.0076 116.2995 55.6935 29.2388 174.6516 592 A 4.8296 7.8757 122.0928 51.5540 19.8382 177.1469 593 V 4.6557 8.8589 111.1079 59.6637 36.2486 174.9279 594 A 5.5504 8.5234 123.1785 50.3605 22.2127 175.4023 595 I 4.7119 8.7588 113.4069 58.2172 41.5464 173.1407 596 P 4.8970 0.0000 0.0000 62.8119 31.9060 176.3146 597 S 4.9141 9.2357 119.1352 58.4634 63.3312 173.9740 598 T 4.5193 9.5888 111.7099 61.6849 69.1329 175.1152 599 I 3.9019 7.9791 125.1016 60.4929 37.3289 174.3317 600 P 4.4075 0.0000 0.0000 62.5741 31.7745 176.3494 601 G 4.4273 8.3025 108.0977 45.7908 0.0000 172.7958 602 N 4.9387 8.3814 118.5136 52.9402 41.6924 173.0266 603 A 4.9940 8.1960 118.5568 50.8188 22.3207 176.2682 604 Y 4.3038 8.9292 119.2564 59.7779 38.7704 176.1811 605 E 4.2165 8.0405 120.5342 54.3497 30.1132 175.4147 606 E 4.3714 8.5087 126.0651 56.4114 30.2578 176.2632 607 L 4.8212 8.7008 120.9829 52.5114 45.0977 176.5909 608 A 4.1637 8.3218 123.9035 51.5388 19.0977 177.7320 609 I 3.3395 7.9644 121.9899 60.9706 38.8023 176.1024 610 D 4.5497 8.3292 125.4802 53.4518 41.1672 176.8723 611 E 3.9990 8.5504 128.0666 58.9270 29.4814 178.7729 612 E 3.8502 8.2173 119.3056 59.1772 29.8093 178.7317 613 A 3.9320 8.0941 120.4150 54.8194 18.2972 179.4814 614 V 3.4685 7.4691 115.7262 66.2115 31.9016 177.8156 615 A 4.0793 8.1635 120.5954 55.0252 17.9863 179.3104 616 K 3.5349 7.9544 117.3093 59.4263 32.3956 177.9673 617 E 4.3666 7.9271 116.0613 56.7036 29.7361 177.9441 618 Q 3.9901 7.7907 121.5530 59.4239 28.9021 178.5928 619 S 4.2578 8.0494 113.2286 60.3310 63.1660 175.1467 620 I 4.3054 7.1169 114.6843 60.4206 37.6638 175.6049 621 S 3.8484 7.6895 115.6841 58.3923 63.9664 174.5986 622 T 4.2160 7.9211 109.4270 60.9674 69.3622 174.1214 623 K 4.1264 8.4948 122.6617 55.8977 32.6198 175.5452 624 P 4.3230 0.0000 0.0000 61.4326 32.0666 174.3578 625 P 4.2285 0.0000 0.0000 62.8709 31.8025 175.5443 626 Y 5.1022 8.1214 118.4449 56.1481 41.4580 175.5959 627 K 4.4164 9.0285 122.7184 55.8393 33.2311 175.8397 628 E 4.8947 8.5956 125.9210 54.5950 32.7593 174.7726 629 R 3.9782 8.9614 127.1957 56.4088 31.0699 176.7388 630 K 3.8920 8.9592 125.8456 59.8468 32.2471 178.2799 631 D 4.5178 8.0423 116.5058 56.5441 40.8720 176.7877 632 E 4.3044 8.1637 117.6333 57.0262 30.1167 176.4086 633 L 4.1885 7.5808 123.7406 54.9819 41.5679 176.7139 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 426 M 8.30 4.62 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.71 0.00 427 A 8.59 2.98 -0.09 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 0.00 428 V 8.52 3.69 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 1.02 0.00 0.00 0.98 0.00 0.00 429 I 8.22 4.25 2.04 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 1.44 0.57 0.94 0.00 0.00 430 T 8.10 4.71 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 1.27 0.00 0.00 431 P 0.00 3.89 0.00 2.11 1.90 0.00 3.50 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 432 Q 8.04 4.50 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.22 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 433 G 7.72 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 434 V 8.30 4.63 2.19 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 0.85 0.00 0.00 0.96 0.00 0.00 435 T 8.72 4.52 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 1.24 0.00 0.00 436 N 8.64 4.50 0.00 3.08 2.99 0.00 0.00 6.21 7.68 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 0.00 437 W 7.80 5.50 0.00 3.33 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 0.00 438 T 8.88 4.37 4.31 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 1.21 0.00 0.00 439 Y 8.25 3.71 0.00 3.08 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 0.00 440 Q 7.88 3.79 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 441 E 7.77 3.75 0.00 1.69 1.81 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 2.30 2.20 0.00 442 L 6.70 3.19 0.00 0.67 1.06 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 443 E 7.69 3.62 0.00 1.16 1.52 0.00 0.00 0.00 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 0.00 444 A 7.54 4.35 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 0.00 445 T 7.76 3.84 4.55 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 1.30 0.00 0.00 446 H 8.69 4.04 0.00 3.24 3.49 0.00 5.79 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 0.00 447 Q 8.44 3.95 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 448 A 8.08 3.99 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 0.00 449 L 8.04 3.89 0.00 1.54 1.45 -0.21 0.34 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 0.00 450 T 7.96 4.12 4.39 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 1.22 0.00 0.00 451 R 7.91 3.95 0.00 1.80 2.11 0.00 3.25 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 452 E 8.25 4.32 0.00 2.32 2.19 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 2.39 2.49 0.00 453 G 8.30 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 0.00 454 Y 8.20 5.16 0.00 3.02 2.98 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 0.00 0.00 0.00 455 V 8.83 4.56 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 0.91 0.00 0.00 0.89 0.00 0.00 456 F 9.02 3.84 0.00 2.50 2.76 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 0.00 0.00 0.00 457 V 8.76 3.91 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 -0.05 0.00 0.00 0.81 0.00 0.00 458 G 5.38 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 0.00 0.00 0.00 459 Y 8.35 5.16 0.00 3.13 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 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8.62 4.94 0.00 1.10 1.66 0.00 2.21 0.00 0.00 2.85 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.26 0.00 544 T 9.03 4.88 4.59 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 1.38 0.00 0.00 545 N 8.91 4.55 0.00 2.73 2.85 0.00 0.00 7.00 7.54 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 0.00 546 T 7.63 4.05 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 1.20 0.00 0.00 547 P 0.00 4.41 0.00 2.29 1.96 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 548 L 8.68 3.99 0.00 1.50 1.48 0.96 0.71 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 0.00 549 E 8.08 3.75 0.00 2.06 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 2.28 2.35 0.00 550 N 8.05 4.80 0.00 2.78 2.86 0.00 0.00 6.80 7.83 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 0.00 551 A 7.82 4.62 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 0.00 552 E 8.27 3.77 0.00 2.19 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 2.29 2.20 0.00 553 E 8.10 3.88 0.00 2.03 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 2.37 2.35 0.00 554 H 8.05 4.10 0.00 3.19 3.39 0.00 5.87 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 0.00 555 I 7.72 2.92 1.57 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.10 0.43 0.00 0.00 556 T 7.72 3.92 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 1.09 0.00 0.00 557 Q 7.50 3.90 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 558 V 7.41 3.59 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 0.20 0.00 0.00 0.82 0.00 0.00 559 I 7.54 3.95 1.78 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.31 0.92 0.00 0.00 560 G 9.29 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 0.00 0.00 0.00 561 H 7.18 4.62 0.00 3.29 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 S 8.38 4.17 0.00 3.94 3.87 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 0.00 563 L 7.95 3.95 0.00 1.36 1.47 -0.26 0.58 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 0.00 564 P 0.00 4.92 0.00 2.21 2.28 0.00 3.36 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 565 L 8.15 4.35 0.00 1.62 1.80 0.94 1.00 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 0.00 566 R 9.37 4.48 0.00 1.84 1.07 0.00 2.95 0.00 0.00 2.70 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 567 N 9.03 5.11 0.00 2.74 2.81 0.00 0.00 6.63 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 0.00 568 E 7.52 5.14 0.00 2.09 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 0.00 2.55 2.55 0.00 569 A 8.90 5.08 0.65 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 0.00 570 F 8.98 4.80 0.00 3.14 2.85 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 0.00 571 T 8.36 5.03 3.84 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 0.99 0.00 0.00 572 G 8.34 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.99 0.00 2.11 2.12 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.08 0.00 574 E 9.57 4.56 0.00 1.95 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 0.00 2.55 2.11 0.00 575 S 7.85 5.11 0.00 3.95 3.96 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 0.00 576 A 8.51 3.78 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 G 8.88 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 0.00 0.00 0.00 578 G 7.68 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 E 8.52 4.41 0.00 1.95 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 2.39 2.30 0.00 580 D 8.60 5.14 0.00 2.60 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 0.00 581 E 9.27 4.96 0.00 2.10 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 0.00 2.35 2.30 0.00 582 T 8.92 4.70 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 1.06 0.00 0.00 583 V 8.59 3.57 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 0.69 0.00 0.00 584 I 8.23 4.32 1.75 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.95 0.00 0.00 585 G 8.72 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 0.00 0.00 0.00 586 W 8.90 4.62 0.00 3.46 3.22 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 0.00 0.00 0.00 0.00 587 D 8.27 4.55 0.00 2.83 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 0.00 588 M 7.96 4.38 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.70 0.00 589 A 8.50 4.10 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 0.00 590 I 7.98 4.07 1.86 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 1.80 0.33 1.07 0.00 0.00 591 H 8.01 4.74 0.00 3.37 3.44 0.00 5.65 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 0.00 592 A 7.88 4.83 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 0.00 593 V 8.86 4.66 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 0.55 0.00 0.00 0.32 0.00 0.00 594 A 8.52 5.55 1.24 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 0.00 0.00 0.00 595 I 8.76 4.71 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.21 0.83 0.00 0.00 596 P 0.00 4.90 0.00 1.68 2.00 0.00 3.20 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.94 0.00 597 S 9.24 4.91 0.00 4.31 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 0.00 598 T 9.59 4.52 4.31 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 1.06 0.00 0.00 599 I 7.98 3.90 1.84 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 0.84 0.00 0.00 600 P 0.00 4.41 0.00 2.08 2.04 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 601 G 8.30 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 0.00 0.00 0.00 0.00 602 N 8.38 4.94 0.00 2.56 2.69 0.00 0.00 7.25 8.10 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 0.00 603 A 8.20 4.99 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 0.00 604 Y 8.93 4.30 0.00 2.92 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 0.00 605 E 8.04 4.22 0.00 2.01 1.88 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 2.22 2.27 0.00 606 E 8.51 4.37 0.00 1.93 1.82 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 2.36 2.21 0.00 607 L 8.70 4.82 0.00 1.60 1.55 0.95 0.76 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 0.00 608 A 8.32 4.16 1.21 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 0.00 0.00 609 I 7.96 3.34 1.61 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 0.84 0.00 0.00 610 D 8.33 4.55 0.00 2.73 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 0.00 611 E 8.55 4.00 0.00 1.98 1.95 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 2.35 2.28 0.00 612 E 8.22 3.85 0.00 2.04 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 0.00 2.26 2.28 0.00 613 A 8.09 3.93 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 0.00 614 V 7.47 3.47 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 0.81 0.00 0.00 0.87 0.00 0.00 615 A 8.16 4.08 1.33 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 0.00 0.00 0.00 616 K 7.95 3.53 0.00 1.67 1.82 0.00 1.27 0.00 0.00 1.46 0.00 0.00 2.94 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.07 0.32 7.81 617 E 7.93 4.37 0.00 2.18 2.05 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 2.54 2.41 0.00 618 Q 7.79 3.99 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 619 S 8.05 4.26 0.00 4.06 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 0.00 620 I 7.12 4.31 1.24 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.48 0.89 0.00 0.00 621 S 7.69 3.85 0.00 3.81 3.56 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 0.00 0.00 0.00 0.00 622 T 7.92 4.22 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 1.23 0.00 0.00 623 K 8.49 4.13 0.00 1.86 1.94 0.00 1.99 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.63 1.56 7.81 624 P 0.00 4.32 0.00 1.64 1.86 0.00 3.73 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 1.38 1.76 0.00 625 P 0.00 4.23 0.00 1.94 1.94 0.00 3.35 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 626 Y 8.12 5.10 0.00 2.88 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 0.00 627 K 9.03 4.42 0.00 1.52 1.83 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.47 7.81 628 E 8.60 4.89 0.00 2.08 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 2.25 2.43 0.00 629 R 8.96 3.98 0.00 1.94 1.84 0.00 3.28 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 630 K 8.96 3.89 0.00 1.85 1.83 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.50 7.81 631 D 8.04 4.52 0.00 2.70 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 0.00 632 E 8.16 4.30 0.00 2.16 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 2.31 2.29 0.00 633 L 7.58 4.19 0.00 1.78 1.61 0.95 0.88 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 * Residues marked with a * may have inaccurate shift predictions.