NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 470 K 4.0656 8.3031 119.9895 55.3087 34.5574 176.3303 471 G 3.6940 7.9729 103.6558 43.1022 0.0000 169.9895 472 P 4.6190 0.0000 0.0000 62.6237 33.0683 174.9540 473 V 4.5421 8.3644 114.8645 58.6990 35.2046 173.8041 474 P 4.8665 0.0000 0.0000 62.4880 32.5193 177.3488 475 F 3.9200 9.0089 119.4240 60.6899 38.5182 177.9805 476 S 4.6700 8.0798 113.7352 60.7860 62.6898 175.5852 477 H 4.1646 7.9574 121.6827 59.3058 29.6586 176.3871 478 C 4.3675 7.8967 116.5993 60.3547 29.7233 173.7688 479 L 4.6652 8.1106 120.9332 50.9534 41.5313 173.9930 480 P 4.4073 0.0000 0.0000 62.4068 33.4357 177.2626 481 T 3.7931 8.3843 108.9761 65.2782 68.2948 175.9364 482 E 4.1286 8.0120 123.2815 58.1007 29.5228 178.4860 483 K 3.9560 7.8814 118.3541 59.2644 32.6189 178.1286 484 L 4.0030 8.2428 121.1830 58.1894 41.8735 178.9716 485 Q 4.0852 8.4771 118.0015 58.1090 28.3855 177.7007 486 R 4.4968 7.3637 116.7524 55.3449 30.7790 176.1026 487 C 4.7109 7.5038 118.1484 59.8024 28.9446 173.0639 488 E 4.9082 9.3463 122.6661 54.2021 33.0956 175.1251 489 K 4.4221 9.0329 125.5380 56.4533 32.5739 176.3002 490 I 4.6307 8.3946 119.3835 60.4693 39.3091 174.8477 491 G 4.1710 7.4352 108.7822 46.2927 0.0000 171.6640 492 E 4.9262 8.5124 116.8928 56.0510 32.5532 174.1249 493 G 3.7197 7.3941 108.0142 44.7089 0.0000 174.3516 494 V 3.5743 8.4102 118.5512 65.6505 31.4411 177.3029 495 F 4.4467 8.0678 113.8864 58.3809 38.8806 175.0933 496 G 4.0891 5.4649 110.9627 44.7860 0.0000 172.0126 497 E 4.9568 9.0574 123.0542 54.4324 34.3576 174.8443 498 V 4.9928 8.4307 121.7663 61.2537 34.6745 174.3278 499 F 5.3360 9.3572 125.9584 55.7606 42.6348 173.8783 500 Q 5.1264 9.4332 123.2230 55.3850 31.4552 174.6958 501 T 4.3875 8.4998 118.5368 61.6124 70.9665 171.6657 502 I 4.9883 8.2582 118.4023 59.7563 41.3784 174.9933 503 A 4.5976 8.7962 128.6833 52.0395 22.5420 175.6314 504 D 4.1314 9.5742 119.6376 56.0614 38.4122 174.0252 505 H 4.1617 8.4455 109.4520 56.6742 27.0396 174.9674 506 T 4.8017 7.7056 116.8001 60.8110 71.5180 171.9581 507 P 4.9830 0.0000 0.0000 63.1884 32.3731 175.9430 508 V 4.9150 8.8719 113.6103 59.9451 36.8837 173.7544 509 A 5.3999 9.2221 124.2283 50.3973 21.8326 175.5558 510 I 4.9802 9.4320 123.4598 59.5003 40.0821 174.4836 511 K 5.0772 9.4247 129.8762 54.9745 34.2705 174.9352 512 I 5.1025 9.2499 128.6319 59.7181 40.2404 174.5259 513 I 5.2182 8.9553 128.0745 59.1510 39.9907 175.0799 514 A 4.1143 9.0912 130.0107 51.8359 18.7529 176.3401 515 I 4.7339 7.8459 115.2117 60.0853 40.7952 176.0928 516 E 3.8121 9.3556 121.3039 56.6913 28.0468 174.8938 517 G 4.1268 8.2289 108.1169 43.3841 0.0000 172.1436 518 P 4.5921 0.0000 0.0000 63.4114 32.1544 176.3436 519 D 4.5055 7.9522 119.4424 53.8295 41.4145 176.0960 520 L 4.2043 8.1932 123.0373 54.8000 42.5146 176.8788 521 V 4.3630 8.5504 121.6692 62.1818 33.7084 175.2396 522 N 4.2390 10.3254 125.2068 54.2862 36.5450 175.6124 523 G 3.9707 8.7536 105.7191 45.2712 0.0000 174.1136 524 S 4.8081 7.7157 115.0005 56.4032 66.4163 173.4439 525 H 4.6118 8.5126 119.2059 55.8732 29.1568 175.5565 526 Q 4.3849 8.4268 121.2003 55.5280 29.5297 176.3668 527 K 4.5076 8.6835 122.0782 56.8488 33.8336 176.8309 528 T 4.5796 8.9209 114.0624 60.9093 70.6898 175.5277 529 F 4.1416 10.0739 126.2382 62.1614 39.0161 177.4828 530 E 3.9422 8.2134 116.2901 61.2894 29.6008 180.4552 531 E 4.2112 7.9446 118.3908 58.7649 29.6656 178.5722 532 I 3.9426 7.4869 117.4042 62.3310 38.0898 177.2451 533 L 3.6491 7.3013 121.2671 57.7143 41.6981 176.9626 534 P 4.2017 0.0000 0.0000 65.5932 31.2434 178.0202 535 E 4.0174 8.1297 117.4838 59.3215 29.5556 178.6840 536 I 3.6999 7.4939 119.6734 64.5424 37.1888 178.4969 537 I 3.6886 8.0382 120.8466 64.4825 36.8782 178.6683 538 I 3.6241 8.1568 121.0398 64.3024 36.8951 178.4744 539 S 4.3538 8.4201 116.2484 61.7745 62.7678 177.0826 540 K 3.9526 8.0063 120.7958 59.5359 31.6062 179.2655 541 E 3.8859 7.9250 117.4818 59.4904 29.6672 179.2280 542 L 3.6249 7.7612 119.0415 57.3344 41.5403 179.3757 543 S 4.1735 8.0069 113.3010 61.4139 62.4039 176.1403 544 L 4.1518 7.9940 120.9530 56.9575 41.4262 179.1110 545 L 4.1204 7.6469 119.0425 57.1285 41.2424 179.1690 546 S 4.6274 7.5249 115.0264 59.6488 62.9946 175.0657 547 G 3.9734 7.7917 109.4028 45.1667 0.0000 173.0780 548 E 4.3948 7.8856 119.7492 55.4307 31.1291 175.0510 549 V 4.2398 8.0288 115.4230 65.1984 33.6639 176.4305 550 C 4.3416 8.0444 116.7484 62.0642 29.3570 172.1200 551 N 5.4708 8.1767 115.2661 51.3400 40.6512 173.7649 552 R 4.9246 9.0527 124.3360 54.6641 33.3956 173.9146 553 T 4.8471 8.7324 118.9941 61.0407 70.7762 173.4283 554 E 4.5944 8.9143 126.1110 56.4933 29.9058 177.1927 555 G 4.0005 7.9628 106.0856 46.2516 0.0000 173.8004 556 F 5.4395 7.2590 119.4949 55.1364 41.7949 175.2642 557 I 3.9311 8.2431 120.9134 61.0328 38.5171 175.8628 558 G 3.8869 9.4064 116.2910 46.2271 0.0000 171.9898 559 L 4.8655 8.6952 126.9701 53.6548 42.8397 175.7840 560 N 4.7369 9.2119 125.3850 55.8611 39.3143 175.5000 561 S 4.6905 7.4125 110.5523 57.4685 66.2807 174.1244 562 V 4.9018 8.0977 119.4658 60.3995 33.8803 174.4377 563 H 4.9648 9.3295 120.6324 54.0703 33.4372 171.8596 564 C 4.9654 8.5668 121.1636 58.1903 33.0232 172.3138 565 V 4.7103 8.7450 126.9412 61.0363 33.8988 173.9319 566 Q 5.1049 10.0001 128.0729 53.0403 31.3815 175.2771 567 G 4.4012 8.2347 114.9497 44.7852 0.0000 171.8336 568 S 4.6929 8.0000 115.0309 57.3349 64.0398 173.2579 569 Y 3.4976 8.4117 122.2780 56.3091 39.3046 174.1742 570 P 4.0876 0.0000 0.0000 61.9194 32.8420 175.6407 571 P 4.2506 0.0000 0.0000 65.9890 31.4144 178.8691 572 L 3.9918 7.7479 116.9994 57.5702 41.4390 179.3091 573 L 3.8619 7.5080 118.6515 57.3838 41.5529 179.1270 574 L 4.1507 8.0334 119.1892 57.5456 41.5291 179.3720 575 K 4.0044 8.3841 119.5633 59.5480 32.2897 178.7558 576 A 4.1523 8.0852 120.6389 54.8535 18.3472 179.3396 577 W 4.0952 8.9331 127.3153 60.9151 30.8421 177.9839 578 D 4.6922 8.9843 119.2778 57.6945 40.1220 178.2630 579 H 4.1715 8.4230 118.8374 59.4030 29.8202 176.7715 580 Y 3.8837 8.0134 121.0696 60.5736 38.7247 177.3409 581 N 4.1163 8.0251 118.0639 56.7092 38.7698 177.0636 582 S 4.1824 8.0532 115.9633 60.6540 62.9582 175.6230 583 T 4.2567 7.1809 111.1542 62.1920 69.8700 175.4381 584 K 4.0481 7.9614 119.1713 54.7450 34.1929 176.1372 585 G 4.3470 7.9055 106.6943 46.0014 0.0000 172.5301 586 S 4.8160 8.3044 115.4027 56.2135 64.9608 173.9089 587 A 4.3966 9.2476 128.2701 52.6734 19.0688 177.2627 588 N 5.0598 8.2324 113.7721 51.3548 40.4589 174.7722 589 D 4.5153 8.7971 120.5318 53.8803 41.4244 176.8326 590 R 2.0000 8.1947 123.6742 55.3342 30.6984 175.7673 591 P 3.8076 0.0000 0.0000 62.0083 30.1063 175.8304 592 D 4.6436 7.2391 113.7961 53.5936 40.2541 177.0509 593 F 4.7229 6.2764 112.4473 56.6843 38.3326 175.3591 594 F 4.6263 7.2751 119.7460 57.2432 39.8570 175.4980 595 K 4.5445 8.4866 123.6919 54.9895 33.2416 177.1938 596 D 4.7409 8.5881 118.2549 55.1434 39.4147 177.0446 597 D 4.7576 7.8819 118.4008 53.2748 40.3933 176.2390 598 Q 4.0458 8.1699 123.4514 56.5620 30.1476 174.9506 599 L 5.0578 8.2336 125.4756 53.6972 44.1556 175.4395 600 F 5.2009 9.1176 119.9913 55.9350 43.8832 173.5963 601 I 4.7840 8.8524 122.9736 60.1421 39.1210 174.9071 602 V 4.7491 8.8858 127.1748 61.2792 33.9448 173.9672 603 L 4.8045 8.8598 129.1025 53.0551 43.8033 175.1804 604 E 5.0090 8.8948 125.8136 54.6184 31.4753 174.7133 605 F 5.4521 9.2681 125.9179 55.1253 42.5060 174.6968 606 E 4.2682 8.9624 122.1097 56.9328 30.1646 176.5345 607 F 4.4612 9.0341 128.1389 58.0223 39.7857 175.2435 608 G 3.6945 8.0244 116.0380 45.0353 0.0000 173.7355 609 G 3.6623 5.9359 104.5365 43.9171 0.0000 172.5457 610 I 4.6357 8.0672 121.7254 59.1412 40.0592 175.6049 611 D 4.8312 8.5516 125.4584 53.1055 39.7885 175.9643 612 L 3.9824 8.6406 123.0677 58.5760 42.1150 178.0700 613 E 2.5400 7.6882 118.4060 58.7728 29.6083 179.2457 614 Q 4.0341 7.6593 117.8866 55.5016 27.6288 177.1197 *616 R 4.2847 7.9548 119.1396 55.9292 31.9548 175.6518 617 T 4.7027 7.6737 103.4414 60.3585 68.9737 174.4057 618 K 4.4219 7.7607 119.9135 56.6263 33.9755 176.4450 619 L 4.4979 7.4691 119.4712 53.8798 42.9946 177.9709 620 S 4.1913 8.8352 116.2621 61.1969 63.6596 174.0018 621 S 4.5605 7.4523 113.1402 55.7975 65.0927 175.6056 622 L 3.0378 7.4668 120.6296 57.0739 40.9775 178.1217 623 A 3.9273 7.6884 121.1929 55.8751 18.1784 179.7090 624 T 3.8510 8.0268 113.7568 66.5024 68.3805 176.6028 625 A 4.0630 7.6567 122.4002 55.1628 18.3295 179.5880 626 K 3.8011 7.9055 117.4209 59.6833 32.2716 178.7322 627 S 4.1158 7.7535 112.6249 61.4222 62.2566 176.1590 628 I 3.6993 7.9554 122.4723 64.5345 36.8342 178.4702 629 L 4.0925 8.2759 120.0623 57.9499 41.3436 179.1372 630 H 3.7658 8.5044 118.3215 59.1993 29.8298 177.3463 631 Q 3.8103 8.2855 120.1209 58.8695 28.5463 178.7979 632 L 3.8826 7.9665 119.8985 58.1381 41.6654 179.7703 633 T 3.8463 8.0548 115.4672 66.5109 68.3097 176.5910 634 A 3.5356 7.7806 122.7072 55.0595 18.2923 179.8192 635 S 3.9551 7.8641 113.5921 61.8003 62.8306 177.0575 636 L 4.3977 8.0270 121.4132 57.6701 41.3269 179.4482 637 A 4.0805 8.2207 120.9516 55.2487 18.3862 179.8652 638 V 3.6053 8.0895 116.7038 66.1091 31.4973 178.1581 639 A 3.9754 8.3751 120.6286 54.9459 18.1867 179.3011 640 E 4.1912 8.9269 117.4749 59.8677 29.4075 179.6035 641 A 4.0843 8.0742 119.4060 54.9473 18.5118 179.1305 642 S 4.3657 8.0476 110.6238 60.1388 62.9436 174.7006 643 L 4.6014 8.0225 117.8243 53.1318 43.5629 176.2828 644 R 3.4423 7.8844 117.7825 56.7747 28.0207 175.9849 645 F 4.9372 8.0593 117.9999 57.7399 40.8355 173.9569 646 E 4.5806 8.4343 126.9036 54.5383 32.3754 176.3769 647 H 3.6496 8.6728 123.7567 59.0381 30.0341 177.4861 648 R 4.5103 8.9557 113.7064 56.8387 28.0342 176.3869 649 D 3.9582 7.1183 117.1969 52.2865 41.6422 175.4035 650 L 3.7426 5.6200 119.1156 53.7768 41.3655 174.4120 651 H 4.5476 6.6193 117.3490 54.7392 30.0995 176.6025 652 W 4.5765 9.6979 116.1622 58.0696 28.1046 178.1044 653 G 3.8298 8.6429 107.5196 47.4466 0.0000 173.7264 654 N 4.7592 8.3926 116.9108 52.7022 40.3251 174.0518 655 V 4.3823 7.6989 120.2443 61.2821 33.7219 174.0781 656 L 5.0974 8.8183 128.7833 52.9500 44.5628 175.6629 657 L 5.1226 8.6839 122.2446 52.8150 45.0122 175.4736 658 K 4.8742 8.6643 124.4581 54.0349 35.6786 175.5595 659 K 4.6251 8.7728 125.7007 57.1483 32.7159 176.1326 660 T 4.8439 8.5269 117.6574 60.5677 70.3080 173.9842 661 S 4.4744 8.8353 120.1677 58.9410 64.0222 174.6035 662 L 4.1567 7.6945 122.4296 54.9947 42.0072 177.2673 663 K 4.2885 8.6981 122.1686 58.4217 33.3752 177.0199 664 K 5.0359 7.9135 116.8002 54.5042 35.8088 175.9895 665 L 4.8093 9.0621 123.0701 53.5471 44.6108 175.0224 666 H 5.4486 8.7531 117.9917 54.3136 31.4018 172.9513 667 Y 5.1418 8.3852 119.0169 55.8096 42.3109 173.8859 668 T 4.9271 9.1066 116.0755 61.6547 72.5017 172.8411 669 L 5.0046 8.9211 128.1155 53.5152 44.8010 176.2781 670 N 4.1424 10.6326 126.7883 54.4231 36.6469 175.4507 671 G 3.9034 8.7176 105.5540 44.9855 0.0000 173.1375 672 K 4.4134 8.0628 122.0808 54.5878 33.3514 175.1183 673 S 4.7931 8.3776 122.5099 57.8250 64.4245 173.2972 674 S 4.6863 7.9539 119.1247 57.4739 67.7605 172.4917 675 T 5.1699 8.1995 109.3483 60.4871 72.2241 173.3994 676 I 4.6032 8.5645 122.3544 58.7608 41.0868 173.5803 677 P 4.7145 0.0000 0.0000 62.6520 31.9430 176.8027 678 S 4.2511 9.0787 117.7742 59.1629 63.5206 174.5765 679 C 4.2124 9.1884 116.6718 60.6072 25.6875 173.8723 680 G 3.9872 8.6254 105.6177 45.4436 0.0000 173.5347 681 L 5.2103 7.8201 118.3126 52.6760 45.4582 175.6441 682 Q 4.7111 9.2265 124.3842 54.3914 31.2020 174.3007 683 V 4.6876 8.8287 127.1610 61.9416 33.0581 175.2206 684 S 4.8472 8.9407 122.9432 56.8131 66.6702 172.8993 685 I 4.7958 8.5053 125.7017 60.0656 38.7695 174.9644 686 I 4.1492 7.8811 119.3458 59.5998 41.1021 171.7075 687 D 3.8202 7.5999 125.9905 54.3579 38.3455 172.2434 688 Y 5.2035 7.2332 122.6166 56.9369 38.5743 178.2329 689 T 3.8396 7.7749 117.5990 64.4774 67.3929 174.6936 690 L 4.5954 7.6292 117.6651 54.3229 42.7136 176.3730 691 S 4.8233 7.8294 116.0051 57.9996 64.3999 173.0914 692 R 5.3270 8.6990 121.1935 55.0523 33.8158 173.9017 693 L 5.2127 9.1401 124.4096 56.0079 44.3896 173.2666 694 E 5.2044 8.8368 115.9467 55.4738 32.9730 175.2523 695 R 4.4694 8.4547 119.4802 55.9235 33.9033 175.3714 696 D 4.2486 9.7262 122.8047 55.5311 38.2990 174.9020 697 G 3.8453 8.4040 104.9098 45.6590 0.0000 174.0583 698 I 4.1543 7.5432 122.0075 59.9062 37.5484 174.9516 699 V 4.5619 8.2625 125.6701 61.4222 32.9091 174.8509 700 V 4.7141 8.7634 127.1459 61.2410 33.9126 174.2618 701 F 5.5219 8.5499 120.9102 57.3910 40.8198 172.5890 702 C 4.2591 8.6574 119.8361 57.5466 32.4162 172.9957 703 D 4.6919 8.2999 127.0227 54.3788 39.8820 175.3955 704 V 4.1928 7.5304 119.8349 61.0487 31.8149 178.0971 705 S 5.1518 8.1704 110.9378 58.5117 62.0224 173.3637 *707 D 4.3071 8.0423 121.3664 55.7347 41.8858 174.9311 708 E 4.5391 8.4071 121.5092 58.0967 31.2267 176.7180 709 D 4.5382 7.9350 118.4252 56.2741 41.1646 178.8580 710 L 3.5339 7.7747 120.1682 57.1523 41.8973 177.4464 711 F 4.9483 7.8754 114.9027 57.4199 39.0877 175.8606 712 T 4.6306 7.9052 110.8485 61.2060 68.8138 174.5146 713 G 3.2870 7.9722 110.3326 46.0557 0.0000 172.4926 714 D 4.6372 7.5481 117.8025 53.5983 44.1791 175.3430 715 G 4.0874 10.6622 109.9851 45.0795 0.0000 172.7770 716 D 4.6907 7.8048 116.4052 51.9459 44.1955 175.5815 717 Y 4.6413 8.7438 127.2410 60.0526 38.6334 178.0266 718 Q 3.0987 8.8241 121.3076 59.3339 28.4621 179.0713 719 F 4.5284 7.9216 117.7309 60.0493 38.4826 177.6216 720 D 4.2486 8.0496 119.0530 57.1852 40.3239 178.6219 721 I 3.1619 6.4947 119.3750 64.1950 36.8607 177.5580 722 Y 4.6956 7.2165 116.0545 61.4680 38.0751 178.6267 723 R 4.4445 7.9111 118.5835 59.0321 30.2567 179.5030 724 L 4.2645 8.3196 119.1831 54.7590 41.4500 179.0908 *726 K 4.1332 8.1080 122.0196 56.3351 33.8314 177.5590 727 K 3.8966 8.1945 119.9079 59.3538 32.3510 178.3616 728 E 3.8400 8.1689 118.5974 58.6593 29.6982 176.9886 729 N 4.1399 7.4194 114.0986 51.3335 37.5963 174.4580 730 N 4.1099 8.1796 113.7962 54.7552 37.0173 173.8765 731 N 4.0862 8.0330 111.0510 54.4296 38.5625 173.2635 732 R 4.5279 7.6904 117.1706 54.0423 29.8254 176.7114 733 W 4.4320 8.7753 122.6426 57.5676 29.8068 178.4269 734 G 2.6203 7.7087 106.8482 47.4114 0.0000 174.2187 735 E 4.0151 7.2603 117.4437 56.3150 29.9794 175.6933 736 Y 4.8555 8.2786 121.9663 56.9121 39.3214 175.2670 737 H 4.4908 9.4860 125.7057 52.3670 29.5764 172.4165 738 P 4.3236 0.0000 0.0000 64.3711 31.3395 177.3908 739 Y 4.2332 8.0053 120.0169 60.7413 38.5850 177.7866 740 S 4.0103 8.2861 115.4323 61.4878 62.8680 176.3104 741 N 4.5444 8.1622 120.1044 56.0420 38.1481 177.5356 742 V 3.5158 7.5161 119.2941 65.8439 31.6285 177.8565 743 L 3.6372 7.5030 118.7775 57.5435 41.3615 179.6256 744 W 4.0172 7.9159 118.7621 59.7361 28.9031 178.6408 745 L 4.1677 8.3925 119.2012 57.9129 40.9050 179.1231 746 H 4.0624 8.4270 118.7071 59.3794 29.8562 176.6728 747 Y 4.2136 8.2032 121.4786 60.7957 38.3060 178.1482 748 L 3.8080 8.1589 119.1455 57.8662 41.8104 179.2330 749 T 4.0991 8.0349 115.3158 66.5028 68.6804 175.8419 750 D 4.4219 8.3441 120.3409 57.0799 41.1814 179.8552 751 K 3.5726 7.5065 118.2979 56.3707 31.9080 178.7849 *753 L 4.3219 7.9544 120.5962 54.0523 43.5918 177.9620 754 K 4.4311 8.0620 115.9079 56.3919 34.7086 176.5822 755 Q 4.5455 7.8549 117.0418 54.9364 28.7129 175.7186 *757 T 3.9168 7.4202 111.8520 61.8406 68.8298 172.1142 758 F 4.9608 8.3931 126.2493 55.3894 41.3606 176.1059 759 K 4.1492 8.6698 123.6134 58.9004 32.0928 177.9012 760 T 4.5858 7.8223 114.8692 61.4415 70.7737 174.3376 761 K 4.3292 8.4606 125.6826 55.4643 33.2985 176.1157 762 C 4.3476 8.3728 118.2689 59.8809 27.8957 173.6692 763 N 5.0501 8.6280 119.9279 52.4342 38.3648 173.7902 764 T 4.7380 7.5284 107.0835 59.3693 72.2631 171.8915 765 P 4.2997 0.0000 0.0000 66.0512 31.3845 179.5311 766 A 4.1861 7.8613 116.6734 52.8613 17.8541 178.7354 *768 K 4.1540 8.0197 121.8311 57.5994 34.2417 177.7204 769 Q 4.0152 7.8547 119.5175 58.8916 28.9603 177.6503 770 I 3.6385 7.4220 120.9571 64.2350 37.0815 178.2496 771 K 3.8850 7.9033 119.8404 59.6083 32.0274 178.9101 772 R 4.1851 7.7371 119.1614 58.7073 29.9671 179.2525 773 K 3.9719 8.1023 118.3512 59.4608 31.9763 179.5561 774 I 3.7764 7.8856 120.1907 64.3637 37.0579 178.5025 775 Q 4.0095 8.3147 119.1276 58.8371 28.2899 178.3489 776 E 4.0735 8.2765 119.7278 59.1470 30.0928 178.2649 777 F 4.3300 8.3550 120.6743 61.6983 39.2187 176.3865 778 H 4.0344 8.2939 116.6924 59.0168 29.7437 176.4611 779 R 4.3686 7.6315 114.2237 56.3262 31.0348 176.2953 780 T 4.6082 7.6353 109.6166 61.0981 68.5896 175.1557 *782 L 4.3621 7.6438 118.6373 55.3804 43.9396 177.6092 783 N 4.8539 8.5706 115.8508 52.9528 38.5097 174.6292 784 F 4.9726 8.2352 116.3699 56.0128 41.6062 175.7731 785 S 4.6125 8.8771 118.8283 59.6420 63.5406 174.8133 786 S 4.8126 7.5785 113.4515 56.5003 66.0196 176.4652 787 A 4.1265 8.7170 124.1798 55.5274 18.0816 180.1032 788 T 3.8798 8.6908 114.7775 66.8810 68.5698 176.2246 789 D 4.5044 8.3563 119.8319 57.3588 41.2361 178.2453 790 L 3.7968 8.1784 119.4320 57.7428 41.4784 179.1283 791 L 3.9034 8.1234 119.1103 58.5729 42.1137 178.4789 792 C 4.4826 8.2860 114.5428 61.3809 28.3287 174.4537 793 Q 4.6700 8.2355 117.5260 56.4745 31.1744 175.8169 794 H 4.3201 8.6266 118.9604 55.5425 30.6705 176.2649 795 S 4.1842 8.5323 120.9701 61.0998 63.0013 176.1975 796 L 3.6915 7.9921 121.8992 57.2071 41.7291 177.2061 797 F 4.8798 7.5074 114.9383 57.0358 39.1456 175.8653 798 K 4.2524 7.8087 126.1793 56.6304 31.9623 176.4282 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 470 K 8.30 4.07 0.00 1.84 1.98 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.40 7.81 471 G 7.97 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 0.00 0.00 0.00 472 P 0.00 4.62 0.00 1.89 1.92 0.00 3.58 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 473 V 8.36 4.54 1.92 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 0.68 0.00 0.00 0.83 0.00 0.00 474 P 0.00 4.87 0.00 2.13 2.19 0.00 3.66 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 2.07 1.99 0.00 475 F 9.01 3.92 0.00 2.92 2.94 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 0.00 476 S 8.08 4.67 0.00 4.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 477 H 7.96 4.16 0.00 3.12 3.44 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 478 C 7.90 4.37 0.00 3.02 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 0.00 479 L 8.11 4.67 0.00 1.57 1.47 0.81 0.84 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 0.00 480 P 0.00 4.41 0.00 2.30 2.16 0.00 3.41 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 2.03 2.09 0.00 481 T 8.38 3.79 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 482 E 8.01 4.13 0.00 2.04 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 0.00 2.36 2.21 0.00 483 K 7.88 3.96 0.00 1.77 1.94 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.65 7.81 484 L 8.24 4.00 0.00 1.95 1.77 0.70 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 485 Q 8.48 4.09 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 486 R 7.36 4.50 0.00 1.72 1.94 0.00 3.15 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 487 C 7.50 4.71 0.00 2.88 2.84 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 0.00 488 E 9.35 4.91 0.00 1.92 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 0.00 2.23 2.40 0.00 489 K 9.03 4.42 0.00 1.69 1.65 0.00 1.25 0.00 0.00 0.93 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.49 0.84 7.81 490 I 8.39 4.63 1.98 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.90 1.13 0.00 0.00 491 G 7.44 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 492 E 8.51 4.93 0.00 1.71 1.55 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 2.07 2.19 0.00 493 G 7.39 3.72 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 0.00 0.00 0.00 494 V 8.41 3.57 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 0.83 0.00 0.00 0.93 0.00 0.00 495 F 8.07 4.45 0.00 3.24 3.24 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 0.00 496 G 5.46 4.09 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 0.00 497 E 9.06 4.96 0.00 2.19 1.60 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 2.41 2.70 0.00 498 V 8.43 4.99 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 1.19 0.00 0.00 1.16 0.00 0.00 499 F 9.36 5.34 0.00 3.02 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 0.00 500 Q 9.43 5.13 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 5.76 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 501 T 8.50 4.39 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 1.24 0.00 0.00 502 I 8.26 4.99 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 1.35 1.11 0.89 0.00 0.00 503 A 8.80 4.60 1.22 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 0.00 0.00 504 D 9.57 4.13 0.00 2.78 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 0.00 505 H 8.45 4.16 0.00 3.28 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 506 T 7.71 4.80 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 1.27 0.00 0.00 507 P 0.00 4.98 0.00 1.81 1.81 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 508 V 8.87 4.92 2.30 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 0.98 0.00 0.00 0.99 0.00 0.00 509 A 9.22 5.40 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.43 4.98 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.05 1.02 0.00 0.00 511 K 9.42 5.08 0.00 2.00 1.91 0.00 1.40 0.00 0.00 1.66 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.47 7.81 512 I 9.25 5.10 2.23 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.18 0.98 0.00 0.00 513 I 8.96 5.22 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.07 1.11 0.00 0.00 514 A 9.09 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 515 I 7.85 4.73 2.00 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 1.24 0.75 1.01 0.00 0.00 516 E 9.36 3.81 0.00 2.12 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 2.28 2.42 0.00 517 G 8.23 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 0.00 0.00 0.00 518 P 0.00 4.59 0.00 2.21 2.21 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 519 D 7.95 4.51 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 520 L 8.19 4.20 0.00 1.50 1.51 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 521 V 8.55 4.36 2.25 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 1.37 0.00 0.00 1.35 0.00 0.00 522 N 10.33 4.24 0.00 2.92 2.88 0.00 0.00 7.47 7.24 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 0.00 523 G 8.75 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 0.00 524 S 7.72 4.81 0.00 3.89 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 0.00 525 H 8.51 4.61 0.00 3.13 3.26 0.00 5.89 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 0.00 526 Q 8.43 4.38 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.17 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 527 K 8.68 4.51 0.00 1.74 1.72 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.47 7.81 528 T 8.92 4.58 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 1.23 0.00 0.00 529 F 10.07 4.14 0.00 3.10 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 0.00 530 E 8.21 3.94 0.00 2.11 1.86 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 2.23 1.98 0.00 531 E 7.94 4.21 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 532 I 7.49 3.94 1.81 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 1.40 1.19 0.72 0.00 0.00 533 L 7.30 3.65 0.00 1.60 1.47 0.64 0.70 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 0.00 534 P 0.00 4.20 0.00 2.15 2.06 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 535 E 8.13 4.02 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 2.47 2.51 0.00 536 I 7.49 3.70 1.96 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 1.50 0.67 0.89 0.00 0.00 537 I 8.04 3.69 1.99 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 1.51 0.70 0.90 0.00 0.00 538 I 8.16 3.62 1.99 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 1.55 0.75 0.73 0.00 0.00 539 S 8.42 4.35 0.00 4.16 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 0.00 540 K 8.01 3.95 0.00 1.96 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.63 7.81 541 E 7.93 3.89 0.00 1.75 1.86 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 2.48 2.43 0.00 542 L 7.76 3.62 0.00 1.08 0.83 -0.94 -1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 543 S 8.01 4.17 0.00 4.08 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 L 7.99 4.15 0.00 1.86 1.67 0.89 0.44 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 0.00 545 L 7.65 4.12 0.00 1.82 1.75 0.71 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 546 S 7.52 4.63 0.00 4.09 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 0.00 547 G 7.79 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 0.00 548 E 7.89 4.39 0.00 2.10 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 2.48 2.22 0.00 549 V 8.03 4.24 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 0.80 0.00 0.00 0.93 0.00 0.00 550 C 8.04 4.34 0.00 2.94 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 0.00 551 N 8.18 5.47 0.00 2.57 2.77 0.00 0.00 6.60 7.96 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 0.00 552 R 9.05 4.92 0.00 1.95 1.77 0.00 3.22 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 553 T 8.73 4.85 4.32 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 1.42 0.00 0.00 554 E 8.91 4.59 0.00 2.08 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 2.36 2.32 0.00 555 G 7.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 556 F 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 V 8.75 4.71 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 0.61 0.00 0.00 566 Q 10.00 5.10 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 567 G 8.23 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 0.00 0.00 0.00 0.00 568 S 8.00 4.69 0.00 4.09 4.08 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 0.00 569 Y 8.41 3.50 0.00 2.96 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 0.00 570 P 0.00 4.09 0.00 1.73 1.61 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.19 0.00 571 P 0.00 4.25 0.00 2.11 2.10 0.00 3.50 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 572 L 7.75 3.99 0.00 1.57 1.63 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 573 L 7.51 3.86 0.00 1.56 1.43 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 574 L 8.03 4.15 0.00 1.92 1.75 0.89 0.42 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 0.00 575 K 8.38 4.00 0.00 1.96 2.04 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.51 7.81 576 A 8.09 4.15 1.64 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 0.00 577 W 8.93 4.10 0.00 3.78 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 0.00 578 D 8.98 4.69 0.00 3.06 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 H 8.42 4.17 0.00 3.35 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 580 Y 8.01 3.88 0.00 3.07 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.03 4.12 0.00 2.31 2.85 0.00 0.00 7.43 6.56 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 0.00 582 S 8.05 4.18 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 583 T 7.18 4.26 4.08 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 1.04 0.00 0.00 584 K 7.96 4.05 0.00 0.79 1.35 0.00 1.00 0.00 0.00 1.39 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.06 0.84 7.81 585 G 7.91 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.82 0.00 3.46 3.54 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 0.00 587 A 9.25 4.40 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 0.00 588 N 8.23 5.06 0.00 2.96 3.08 0.00 0.00 7.33 8.01 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 0.00 589 D 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0.00 0.00 1.68 1.47 0.00 614 Q 7.66 4.03 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.31 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 *616 R 7.95 4.28 0.00 1.76 1.89 0.00 3.47 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.84 0.00 617 T 7.67 4.70 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 1.16 0.00 0.00 618 K 7.76 4.42 0.00 1.71 1.85 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.32 7.81 619 L 7.47 4.50 0.00 1.85 1.83 1.07 0.87 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 0.00 620 S 8.84 4.19 0.00 4.04 4.16 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 0.00 621 S 7.45 4.56 0.00 3.85 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 0.00 622 L 7.47 3.04 0.00 1.22 1.39 0.71 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 623 A 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R 7.91 4.44 0.00 2.00 2.10 0.00 3.25 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 724 L 8.32 4.26 0.00 1.64 1.63 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 *726 K 8.11 4.13 0.00 2.10 2.00 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.51 7.81 727 K 8.19 3.90 0.00 1.83 1.95 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.34 7.81 728 E 8.17 3.84 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.12 0.00 729 N 7.42 4.14 0.00 2.69 2.39 0.00 0.00 6.23 5.12 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 0.00 730 N 8.18 4.11 0.00 2.76 2.82 0.00 0.00 6.75 7.81 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 0.00 731 N 8.03 4.09 0.00 2.95 2.86 0.00 0.00 7.19 7.27 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 0.00 732 R 7.69 4.53 0.00 1.88 1.81 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 741 N 8.16 4.54 0.00 3.10 3.03 0.00 0.00 7.08 8.18 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 0.00 742 V 7.52 3.52 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.08 0.00 0.00 743 L 7.50 3.64 0.00 1.45 1.13 0.73 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 744 W 7.92 4.02 0.00 3.43 3.25 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 0.00 745 L 8.39 4.17 0.00 1.88 1.83 1.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 746 H 8.43 4.06 0.00 3.15 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 747 Y 8.20 4.21 0.00 2.53 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 0.00 748 L 8.16 3.81 0.00 1.95 1.80 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 749 T 8.03 4.10 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 1.39 0.00 0.00 750 D 8.34 4.42 0.00 2.80 2.77 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 0.00 751 K 7.51 3.57 0.00 1.66 1.45 0.00 0.61 0.00 0.00 0.75 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.51 0.45 7.81 *753 L 7.95 4.32 0.00 1.56 1.71 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 754 K 8.06 4.43 0.00 1.72 1.74 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.31 7.81 755 Q 7.85 4.55 0.00 1.75 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.39 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 *757 T 7.42 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 1.14 0.00 0.00 758 F 8.39 4.96 0.00 3.10 3.13 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 0.00 759 K 8.67 4.15 0.00 1.83 1.91 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.33 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.58 7.81 760 T 7.82 4.59 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 1.22 0.00 0.00 761 K 8.46 4.33 0.00 1.75 1.78 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.57 7.81 762 C 8.37 4.35 0.00 2.93 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 0.00 763 N 8.63 5.05 0.00 2.75 2.81 0.00 0.00 6.05 7.71 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 0.00 764 T 7.53 4.74 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 0.00 765 P 0.00 4.30 0.00 2.18 2.15 0.00 3.59 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 2.11 2.10 0.00 766 A 7.86 4.19 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 *768 K 8.02 4.15 0.00 2.01 1.84 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.48 7.81 769 Q 7.85 4.02 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 770 I 7.42 3.64 1.79 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 1.62 0.91 0.82 0.00 0.00 771 K 7.90 3.88 0.00 1.76 1.96 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.50 7.81 772 R 7.74 4.19 0.00 2.06 1.95 0.00 3.18 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 773 K 8.10 3.97 0.00 1.91 1.76 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.63 7.81 774 I 7.89 3.78 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.96 0.00 0.00 775 Q 8.31 4.01 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 776 E 8.28 4.07 0.00 2.12 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 2.37 2.50 0.00 777 F 8.36 4.33 0.00 3.02 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 0.00 778 H 8.29 4.03 0.00 3.30 3.54 0.00 5.80 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 779 R 7.63 4.37 0.00 2.03 2.07 0.00 3.08 0.00 0.00 3.30 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.66 0.00 780 T 7.64 4.61 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 *782 L 7.64 4.36 0.00 1.67 1.90 0.71 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 783 N 8.57 4.85 0.00 2.92 2.74 0.00 0.00 6.81 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 0.00 784 F 8.24 4.97 0.00 3.01 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 0.00 785 S 8.88 4.61 0.00 3.93 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 0.00 786 S 7.58 4.81 0.00 4.42 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 0.00 787 A 8.72 4.13 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 788 T 8.69 3.88 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 789 D 8.36 4.50 0.00 2.96 3.10 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 0.00 790 L 8.18 3.80 0.00 2.07 1.92 0.98 -0.29 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 0.00 791 L 8.12 3.90 0.00 1.61 1.88 0.48 0.76 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 0.00 792 C 8.29 4.48 0.00 3.19 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 0.00 793 Q 8.24 4.67 0.00 2.63 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 794 H 8.63 4.32 0.00 2.90 3.08 0.00 5.59 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 795 S 8.53 4.18 0.00 4.02 4.09 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 0.00 796 L 7.99 3.69 0.00 1.05 0.44 0.61 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 797 F 7.51 4.88 0.00 3.09 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 0.00 798 K 7.81 4.25 0.00 1.92 1.74 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.31 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.