NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *545 H 4.6333 8.4449 117.3636 54.4204 29.7304 171.9041 546 S 4.2939 8.1162 114.4719 56.9240 64.0392 173.0671 547 S 4.5181 7.9145 120.2843 56.7134 64.5474 175.2757 548 E 3.9514 9.0477 128.1508 54.3731 31.9670 178.9457 549 K 3.7732 8.2948 117.1083 57.2740 29.3988 178.3362 550 W 4.1104 7.1333 127.3729 58.4316 28.4086 175.3090 551 F 5.1013 7.3693 122.8317 58.1512 37.8624 174.9908 552 H 4.3035 8.6554 126.5751 55.6448 30.5285 178.0292 553 G 3.4970 6.9387 107.3920 45.7052 0.0000 173.9997 554 K 4.2936 8.5292 126.1706 55.8919 32.7750 175.8883 555 L 4.5907 8.2456 125.5627 53.9032 44.3472 176.7813 556 G 3.8577 9.0936 110.6131 45.9984 0.0000 173.1007 557 A 3.7343 9.3078 118.2395 52.6887 16.1074 179.1917 558 G 3.8939 8.0741 109.4494 46.9177 0.0000 174.9640 559 R 4.3815 8.3524 121.7161 56.5239 31.5798 182.3189 560 D 4.4073 8.7353 121.0238 53.1012 37.0004 173.5681 561 G 3.6557 8.6847 109.9651 47.9596 0.0000 174.9370 562 R 3.8271 7.8233 120.4608 59.5151 30.3229 177.5613 563 H 4.2777 8.2405 117.4894 59.7580 29.6887 176.9035 564 I 3.6707 7.9668 121.0264 64.3607 36.7445 178.1196 565 A 4.1564 7.7075 120.8322 54.4056 18.2774 179.6703 566 E 4.0115 8.1241 117.9101 59.6424 29.2690 179.5744 567 R 4.0504 7.9520 116.1787 59.1681 28.0751 178.6236 568 L 3.9767 7.8487 120.9920 57.6026 41.9505 178.5996 569 L 4.4146 7.7514 118.5335 57.6795 41.9571 178.5365 570 T 3.8396 8.5587 116.8583 66.2631 68.2579 176.3016 571 E 4.0482 8.2916 119.2503 59.6464 29.5789 178.9350 572 Y 3.8948 7.3927 118.0407 60.7702 38.9344 177.4819 573 C 3.6987 7.9437 117.8653 62.4551 27.8202 175.8535 574 I 3.5994 7.4418 120.5619 65.1350 37.0699 177.7592 575 E 4.0087 7.7728 119.6028 59.1680 29.1033 178.8238 576 T 3.8382 7.6901 116.7161 63.6915 69.4623 174.2388 577 G 3.8625 7.7269 108.8811 46.2903 0.0000 174.2136 578 A 4.1095 7.5927 120.4177 51.1146 19.6509 176.5482 579 P 4.7169 0.0000 0.0000 61.8210 32.6462 175.5268 580 D 4.7996 8.4954 119.5399 56.0412 41.3443 176.9769 581 G 4.1959 9.3184 110.5222 45.8215 0.0000 173.6204 582 S 5.5289 8.3848 116.1612 58.5833 64.0072 173.5183 583 F 5.6945 8.5772 118.0078 56.3074 41.7957 172.3896 584 L 4.7128 8.9979 117.1921 54.7422 44.1456 174.3761 585 V 5.1950 9.2568 121.5007 61.4002 33.9115 174.7274 586 R 5.0090 9.0154 123.6143 53.9776 33.1954 174.6401 587 E 4.3063 8.4643 118.4806 56.2157 30.2223 176.9447 588 S 4.4095 8.0253 117.5963 58.1441 62.8308 174.0045 589 E 4.2193 8.7675 125.9304 59.1631 30.1887 178.1783 590 T 3.7117 7.8045 113.9696 65.9336 68.8439 175.2807 591 F 4.6954 7.5948 122.7036 54.5274 38.1587 173.5441 592 V 3.6953 7.9045 121.8255 64.5372 31.8554 174.7701 593 G 4.0935 9.0503 114.6776 45.6767 0.0000 173.0192 594 D 4.8600 8.0454 118.9681 53.5394 43.9386 174.5722 595 Y 5.2422 8.3256 116.0334 57.0947 42.3969 175.0431 596 T 5.1850 8.9781 115.4595 62.2729 73.5650 173.2448 597 L 5.0560 9.5207 128.6500 53.8438 44.0164 174.9612 598 S 5.3355 8.9607 123.4704 56.9698 65.4868 173.5578 599 F 5.6746 8.2801 117.8746 55.7011 42.2005 172.5255 600 W 5.1530 9.6205 129.9063 56.0420 32.0194 175.1591 601 R 4.6152 8.6902 128.4592 55.2742 32.0213 173.9591 602 N 4.1016 9.9457 127.3966 54.5094 35.8926 175.2172 603 G 3.9447 7.6802 101.2974 45.6555 0.0000 171.8946 604 K 4.1539 6.3776 119.1501 53.8595 35.2038 174.9952 605 V 4.6409 8.0482 124.9068 60.3922 32.9018 175.0546 606 Q 4.3644 8.1516 123.8468 53.9893 32.1676 174.1125 607 H 5.2583 8.3268 118.5972 54.1675 31.5640 173.3470 608 C 4.8713 9.0620 122.2479 57.3694 34.6717 172.8703 609 R 4.2264 8.7374 126.8691 56.3887 30.6071 175.6959 610 I 4.3619 8.4238 127.8680 59.7390 38.4553 174.8000 611 H 4.3221 8.2629 125.1241 55.6335 29.6708 174.7772 612 S 5.2923 8.5005 115.5965 55.6049 65.7701 173.4992 613 R 4.5948 8.0879 125.5727 54.6395 33.2463 175.2671 614 Q 4.5270 8.6044 127.0217 56.0873 29.6438 176.5124 615 D 4.5434 8.1337 119.4833 57.7260 41.8850 179.2998 616 A 4.3356 7.8577 119.1670 52.3394 17.9520 178.0922 617 G 4.3598 8.5480 115.2516 47.5966 0.0000 175.2334 618 T 4.6744 7.4031 115.0135 61.0047 69.9043 173.4664 619 P 4.6110 0.0000 0.0000 62.9307 32.5211 175.6766 620 K 4.9302 8.3534 119.9031 54.7891 36.4178 175.3078 621 F 5.8678 9.3920 121.7050 54.8873 43.1410 173.9157 622 F 5.3557 8.1955 115.2088 56.6538 40.2309 174.3108 623 L 4.6558 9.1241 118.6020 54.9091 43.9535 176.5300 624 T 4.8935 7.7684 107.3304 59.5095 71.8454 174.0795 625 D 4.2196 8.7011 120.6063 54.6321 39.7986 176.5003 626 N 4.6927 7.9450 115.9412 52.4613 38.1527 174.3400 627 L 4.3871 7.4693 120.6532 53.5793 44.9491 175.2536 628 V 4.5339 7.6089 124.3374 60.9822 34.9585 174.1014 629 F 5.1047 8.8798 122.6923 55.9326 42.5974 175.5538 630 D 4.8987 8.9852 121.1711 55.3401 41.3481 177.0130 631 S 4.6424 7.7664 112.9242 56.2719 66.5362 175.7172 632 L 3.4876 7.5053 122.9883 57.8254 41.1902 179.1194 633 Y 4.1560 7.8854 119.0055 61.0346 38.9085 177.8239 634 D 4.2275 8.2534 119.4701 56.8726 40.8593 178.8603 635 L 2.4400 7.4617 121.0032 57.6222 41.9443 178.9040 636 I 3.1777 7.5797 118.6012 64.4619 37.1551 177.9647 637 T 3.9106 7.6939 118.1239 66.1550 68.1943 175.5078 638 H 3.9087 7.6654 119.4373 59.6754 29.8323 176.2520 639 Y 4.7339 7.5815 116.5162 58.3974 37.0061 177.4049 640 Q 4.0872 7.8418 121.4748 58.1081 29.0042 178.1288 641 Q 3.8542 7.6283 117.3699 58.4627 29.4742 176.0384 642 V 4.0356 7.4897 118.5355 60.7094 33.1129 173.9399 643 P 4.6092 0.0000 0.0000 62.9302 32.4616 175.1579 644 L 4.7787 8.6326 119.6629 53.4354 44.1037 176.6113 645 R 4.6185 8.7084 124.3902 55.3877 30.5740 175.5208 646 C 4.9380 8.2134 122.3082 57.3521 31.5681 173.6819 647 N 4.4522 9.0045 114.7508 56.8989 38.4559 175.9259 648 E 3.9181 7.9846 117.9159 59.1884 30.1331 180.4791 *649 F 4.6550 7.9657 125.1433 57.1794 43.2575 175.1646 650 E 5.6368 8.3228 114.5292 56.4344 32.6530 175.0999 651 M 4.1566 7.9037 114.5362 55.2016 35.3921 173.5195 652 R 4.7701 8.6233 125.3875 54.4831 31.8556 176.2852 653 L 3.7848 8.1381 124.7136 56.5560 41.5454 174.9637 654 S 4.3350 9.8686 119.9546 58.9949 63.2826 174.2401 655 E 4.8837 9.0393 114.0488 53.0276 33.6517 175.6970 656 P 4.3308 0.0000 0.0000 62.3126 32.3420 175.3932 657 V 4.1378 7.6618 118.9483 60.9780 34.0818 173.2045 658 P 4.4384 0.0000 0.0000 62.6129 32.5777 177.1651 659 Q 4.0783 7.9761 119.9937 54.9253 26.9385 176.9969 660 T 4.1357 7.6241 109.2947 63.2774 69.8406 175.8510 661 N 4.5577 7.7839 117.6595 52.3946 39.8172 175.6797 662 A 3.8475 7.4300 120.5194 55.6366 18.3507 179.3615 663 H 3.6176 7.5605 112.5991 58.1151 28.6493 176.8852 664 E 4.1172 7.3607 119.4265 57.7228 29.5264 177.2068 665 S 4.5718 7.2361 113.7575 57.7952 65.2961 174.5126 666 K 3.9958 7.1394 120.2177 55.7995 32.2778 177.9742 667 E 3.9155 8.2853 121.7645 59.3370 29.7493 178.7473 668 W 4.3100 7.2966 115.0862 58.7118 29.4893 175.3994 669 Y 5.1451 6.8492 121.4958 57.4180 39.1109 174.3758 670 H 4.6346 8.9267 123.1170 54.0098 31.9289 174.5591 671 A 4.0642 8.4907 124.4560 53.5745 19.4888 177.3014 672 S 4.4932 7.6069 109.0403 56.0784 62.7156 171.2530 673 L 5.4295 7.7677 122.1560 50.8813 45.1130 177.5247 674 T 4.1717 8.5637 120.4941 62.7192 70.4980 175.6617 675 R 3.7851 8.4711 120.1192 59.6783 29.3675 178.9120 676 A 3.9148 7.9059 121.2872 54.7486 17.9565 179.0918 677 Q 4.0299 8.0933 117.3089 59.0705 28.9769 178.3366 678 A 4.1724 8.1104 121.8581 54.8105 18.9216 179.2676 679 E 3.9305 8.9721 118.3022 59.8876 29.2713 179.1076 680 H 4.0671 8.5341 117.7952 59.4235 30.0352 177.0287 681 M 4.2500 7.5102 120.9894 58.3461 31.3773 178.4146 682 L 4.2029 7.9632 117.8946 56.8657 41.6404 179.0344 683 M 4.1881 7.7379 118.6191 57.6814 32.2589 177.7091 684 R 4.5367 7.6590 116.6588 55.5072 30.8314 176.0324 685 V 4.6617 6.9556 118.6593 60.1415 31.9193 173.8570 686 P 4.6339 0.0000 0.0000 61.3945 28.8954 174.8697 687 R 4.5285 7.2298 117.9413 55.1646 34.7657 174.2983 688 D 5.5084 7.9644 117.7402 52.8190 43.1223 175.5272 689 G 3.9128 9.2983 113.0112 45.5072 0.0000 173.3840 690 A 4.9703 8.1298 122.9763 52.7679 19.9540 176.7262 691 F 5.3012 8.4955 114.7137 57.5059 42.0202 172.2077 692 L 4.6352 8.2386 117.2121 55.8133 44.3076 173.6759 693 V 4.7443 9.2380 119.1312 61.5058 34.3425 174.2177 694 R 5.2587 8.5585 125.0037 53.8348 32.1873 175.0417 695 K 5.1571 8.5236 122.1064 55.4068 33.4795 175.7908 696 R 4.5732 7.9544 123.1968 54.4215 31.2165 175.9910 697 N 4.3472 8.9286 117.9614 56.4875 38.7564 176.1777 698 E 3.9561 8.0213 116.4715 55.7575 29.9576 175.1395 699 P 4.1183 0.0000 0.0000 64.1500 32.6717 176.1018 700 N 4.0907 8.5670 118.6268 53.0237 35.8841 173.5705 701 S 4.9956 6.3400 109.5144 57.7223 66.6042 175.7011 702 Y 5.2161 9.1760 119.9609 56.3054 42.4249 174.0222 703 A 5.2606 8.9665 122.6740 50.3284 22.7771 175.5897 704 I 4.7504 9.0717 121.3552 59.8654 39.9461 174.8448 705 S 4.9416 8.7650 124.1153 56.7516 64.9659 173.6405 706 F 5.4845 8.2948 120.8677 56.4329 42.2912 174.4319 707 R 4.9870 8.9088 120.2945 55.4602 30.6131 174.8783 708 A 4.9689 8.9107 128.9917 50.7179 20.8719 176.8515 709 E 3.6864 9.7819 122.7828 57.6240 27.0336 175.2141 710 G 3.9826 8.9118 102.4467 45.9835 0.0000 173.9975 711 K 4.5739 7.8179 119.2775 53.7954 35.4319 175.1975 712 I 4.2740 8.3798 128.3253 61.8863 38.6893 175.7729 713 K 4.4280 8.8147 131.6076 53.9055 36.1432 172.5492 714 H 5.0557 8.2801 120.0249 53.5651 32.1731 173.2389 715 C 4.8580 8.7470 116.4151 58.2060 32.6655 173.2155 716 R 4.6700 8.6147 123.0370 55.2211 31.0434 175.4609 717 V 4.7186 9.0373 126.1670 61.1067 34.9789 173.7488 718 Q 4.8450 9.2046 128.5516 54.2047 32.1122 173.7471 719 Q 4.5613 8.7776 128.5248 55.8361 29.2869 175.9880 720 E 4.5514 9.5666 128.3134 54.2242 30.4042 178.1421 721 G 3.8476 8.9331 114.6010 45.8845 0.0000 171.8125 722 Q 4.7611 9.1542 113.9128 55.2632 30.9038 175.0987 723 T 4.9222 7.7846 106.7902 60.1435 72.6120 172.8532 724 V 4.8706 8.7767 116.9578 60.1939 34.2222 174.6368 725 M 5.1120 9.1442 124.6181 53.5506 34.8128 175.1004 726 L 4.4770 8.9324 126.9690 52.4854 41.3381 177.6192 727 G 3.9859 8.6932 120.1911 46.9227 0.0000 173.7302 728 N 4.5595 9.1324 120.8442 54.3463 38.0536 176.5210 729 S 4.2715 7.9686 113.4163 58.6207 63.5982 172.7295 730 E 5.0629 7.8662 122.8249 54.4820 32.4596 174.5648 731 F 4.8848 9.5157 123.4658 55.8232 43.3168 175.3711 732 D 4.4467 8.8349 120.9824 56.9175 41.1668 177.2227 733 S 4.6129 7.4427 110.0491 56.2683 67.1404 176.9863 734 L 3.8587 8.1410 122.2350 58.3132 41.3455 180.1560 735 V 4.0243 7.9288 117.1671 66.1090 31.5449 177.5153 736 D 4.4654 7.8268 118.2864 56.6451 40.7878 178.5294 737 L 2.9641 7.6854 121.1400 57.8163 41.9790 178.9984 738 I 3.4441 7.9005 120.1544 64.1915 36.7024 178.0905 739 S 4.0582 7.7403 112.9213 61.9431 62.3438 175.2628 740 Y 3.9889 7.7519 121.3241 61.0283 38.5536 177.1656 741 Y 4.3882 7.7468 115.6333 58.5405 37.7007 177.2813 742 E 4.4138 7.7128 123.3219 57.0918 29.8272 177.1002 743 K 4.2293 7.7232 120.4426 56.8317 34.0729 182.8364 *744 H 4.4157 7.0177 115.8340 52.7013 28.7665 174.9456 745 P 4.4759 0.0000 0.0000 63.1794 31.7973 176.3941 746 L 4.3061 8.2597 123.5349 56.1782 43.5317 175.8521 747 Y 4.3595 7.7978 114.9262 57.7441 40.0791 173.5333 748 R 3.3835 9.0674 130.7312 58.0379 27.2546 177.8478 749 K 3.8368 8.2119 114.4561 55.3863 29.4407 177.0944 750 M 4.3498 7.6766 120.4216 55.1411 32.5883 175.0719 751 K 4.5882 8.1975 126.9022 54.1104 34.4755 175.9846 752 L 3.6180 7.9556 126.5818 55.5765 40.1022 177.8329 753 R 4.2845 8.6994 124.2840 57.1510 32.3786 173.6012 754 Y 4.7768 8.5608 119.2751 55.3625 38.4294 173.9224 755 P 3.9196 0.0000 0.0000 63.6117 31.7928 175.4996 756 I 4.7757 7.8482 121.1496 58.9626 39.1193 174.9195 757 N 4.6992 8.2798 121.2636 50.5168 39.8704 174.4399 758 E 3.9318 9.0456 120.0914 60.6255 29.3013 179.5205 759 E 4.0503 8.2122 115.8843 60.8843 30.0148 180.2256 760 A 4.3570 9.0203 121.0723 55.2046 18.4635 179.7612 761 L 4.1360 8.0445 120.2636 58.3566 41.5687 179.5797 762 E 4.2963 8.0118 118.5172 60.2623 29.6640 181.0227 763 K 4.7402 7.6232 120.8681 57.6345 33.5403 181.9239 764 I 4.5313 7.4299 114.8141 63.1154 39.4579 175.9845 765 G 4.5086 7.5932 105.6558 46.1640 0.0000 171.7693 766 T 4.8038 8.6860 112.4737 61.8351 70.3664 177.0885 767 A 4.9834 8.7695 118.8676 49.5535 21.7166 175.0162 768 E 4.2680 8.6305 118.4656 55.2776 31.6967 174.9610 769 P 4.9124 0.0000 0.0000 62.1093 30.4339 176.7255 770 D 4.1990 8.5211 126.2659 55.0039 40.5030 174.1331 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 *545 H 8.44 4.63 0.00 2.95 2.94 0.00 7.14 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 546 S 8.12 4.29 0.00 2.99 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 0.00 547 S 7.91 4.52 0.00 3.70 3.63 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 0.00 548 E 9.05 3.95 0.00 2.20 1.20 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 2.22 2.19 0.00 549 K 8.29 3.77 0.00 0.87 0.74 0.00 1.56 0.00 0.00 1.32 0.00 0.00 3.08 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.16 1.35 7.81 550 W 7.13 4.11 0.00 3.31 2.75 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 0.00 0.00 0.00 0.00 551 F 7.37 5.10 0.00 2.37 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 0.00 552 H 8.66 4.30 0.00 3.06 3.20 0.00 5.80 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 0.00 553 G 6.94 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 0.00 0.00 0.00 554 K 8.53 4.29 0.00 1.68 1.69 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.48 7.81 555 L 8.25 4.59 0.00 1.66 1.47 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 556 G 9.09 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 0.00 557 A 9.31 3.73 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 0.00 558 G 8.07 3.89 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 0.00 0.00 0.00 559 R 8.35 4.38 0.00 1.69 1.80 0.00 3.42 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 560 D 8.74 4.41 0.00 2.67 2.64 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 0.00 561 G 8.68 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 R 7.82 3.83 0.00 1.79 1.89 0.00 3.17 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.54 0.00 563 H 8.24 4.28 0.00 3.25 3.31 0.00 5.93 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 0.00 564 I 7.97 3.67 1.90 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 1.40 0.87 0.00 0.00 565 A 7.71 4.16 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 0.00 0.00 566 E 8.12 4.01 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 567 R 7.95 4.05 0.00 2.04 2.12 0.00 2.76 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 568 L 7.85 3.98 0.00 1.83 1.85 0.88 0.92 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 0.00 569 L 7.75 4.41 0.00 1.94 1.94 1.07 1.16 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 0.00 570 T 8.56 3.84 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 1.42 0.00 0.00 571 E 8.29 4.05 0.00 2.21 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 0.00 2.59 2.37 0.00 572 Y 7.39 3.89 0.00 3.09 3.09 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 0.00 573 C 7.94 3.70 0.00 1.23 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 0.00 0.00 0.00 574 I 7.44 3.60 1.82 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.79 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0.00 3.34 3.26 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 0.00 584 L 9.00 4.71 0.00 1.54 1.53 0.90 0.80 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 0.00 585 V 9.26 5.19 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 1.31 0.00 0.00 1.05 0.00 0.00 586 R 9.02 5.01 0.00 2.00 2.02 0.00 2.83 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 587 E 8.46 4.31 0.00 1.87 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 2.15 2.30 0.00 588 S 8.03 4.41 0.00 4.06 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 0.00 589 E 8.77 4.22 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 590 T 7.80 3.71 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 0.12 0.00 0.00 591 F 7.59 4.70 0.00 3.17 2.95 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 600 W 9.62 5.15 0.00 3.61 3.19 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 0.00 601 R 8.69 4.62 0.00 2.05 1.85 0.00 3.34 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 602 N 9.95 4.10 0.00 2.76 2.77 0.00 0.00 6.98 8.30 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 0.00 603 G 7.68 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 0.00 0.00 0.00 604 K 6.38 4.15 0.00 1.54 1.48 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.12 1.20 7.81 605 V 8.05 4.64 2.34 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 0.82 0.00 0.00 0.92 0.00 0.00 606 Q 8.15 4.36 0.00 1.14 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 607 H 8.33 5.26 0.00 2.99 3.16 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 608 C 9.06 4.87 0.00 3.08 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 0.00 609 R 8.74 4.23 0.00 1.80 1.66 0.00 2.40 0.00 0.00 2.72 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.43 0.00 610 I 8.42 4.36 2.04 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 1.18 1.28 1.03 0.00 0.00 611 H 8.26 4.32 0.00 1.40 2.56 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 S 8.50 5.29 0.00 3.94 3.80 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 0.00 613 R 8.09 4.59 0.00 2.01 1.79 0.00 3.25 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 614 Q 8.60 4.53 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 615 D 8.13 4.54 0.00 2.72 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 0.00 616 A 7.86 4.34 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 0.00 617 G 8.55 4.36 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 0.00 618 T 7.40 4.67 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 1.27 0.00 0.00 619 P 0.00 4.61 0.00 2.08 2.10 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 620 K 8.35 4.93 0.00 1.92 1.80 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.47 7.81 621 F 9.39 5.87 0.00 3.22 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 0.00 622 F 8.20 5.36 0.00 3.34 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 0.00 623 L 9.12 4.66 0.00 1.55 1.65 0.84 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 624 T 7.77 4.89 4.32 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 740 Y 7.75 3.99 0.00 3.16 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 741 Y 7.75 4.39 0.00 2.97 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 0.00 742 E 7.71 4.41 0.00 2.01 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 0.00 2.43 2.22 0.00 743 K 7.72 4.23 0.00 1.73 1.66 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.21 7.81 *744 H 7.02 4.42 0.00 2.83 2.97 0.00 7.15 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 745 P 0.00 4.48 0.00 2.05 1.96 0.00 3.59 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 2.00 2.02 0.00 746 L 8.26 4.31 0.00 1.37 1.58 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 747 Y 7.80 4.36 0.00 2.77 2.58 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 0.00 748 R 9.07 3.38 0.00 1.77 1.81 0.00 3.27 0.00 0.00 2.83 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 749 K 8.21 3.84 0.00 1.95 1.79 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.24 0.98 7.81 750 M 7.68 4.35 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 751 K 8.20 4.59 0.00 1.91 1.59 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 0.99 7.81 752 L 7.96 3.62 0.00 1.09 0.13 0.47 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 753 R 8.70 4.28 0.00 1.60 1.80 0.00 3.21 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 754 Y 8.56 4.78 0.00 2.99 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 0.00 755 P 0.00 3.92 0.00 1.85 1.87 0.00 3.68 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 1.95 1.63 0.00 756 I 7.85 4.78 1.87 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 1.28 1.24 0.91 0.00 0.00 757 N 8.28 4.70 0.00 2.88 3.08 0.00 0.00 5.86 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 0.00 758 E 9.05 3.93 0.00 2.05 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 2.38 2.38 0.00 759 E 8.21 4.05 0.00 2.11 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 2.23 1.94 0.00 760 A 9.02 4.36 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 0.00 0.00 761 L 8.04 4.14 0.00 1.94 1.73 0.93 1.02 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 0.00 762 E 8.01 4.30 0.00 2.05 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 2.26 2.20 0.00 763 K 7.62 4.74 0.00 1.77 1.72 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.31 7.81 764 I 7.43 4.53 1.87 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 1.60 1.38 0.88 0.00 0.00 765 G 7.59 4.51 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 0.00 766 T 8.69 4.80 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 1.21 0.00 0.00 767 A 8.77 4.98 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 0.00 768 E 8.63 4.27 0.00 2.22 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.90 0.00 769 P 0.00 4.91 0.00 2.04 1.53 0.00 3.81 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 2.00 2.05 0.00 770 D 8.52 4.20 0.00 2.63 2.34 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 * Residues marked with a * may have inaccurate shift predictions.