NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *578 H 4.6694 8.4444 117.3758 53.9456 28.5286 171.6979 579 K 4.0936 8.3882 127.8090 54.9600 32.8001 175.0208 580 T 4.2065 9.5150 126.1172 63.9753 70.0406 173.0154 581 L 5.1792 9.2404 125.2778 52.4191 45.4707 177.5215 582 A 3.9541 8.9935 123.5807 55.5875 18.3459 179.9511 583 M 4.2270 7.8501 111.9491 57.5409 31.4387 177.1738 584 D 4.5249 8.1044 119.1794 55.5469 41.4142 177.2097 585 V 4.1576 7.5113 116.6297 63.0475 33.1306 175.5822 586 M 4.4367 7.8256 116.7312 55.5950 31.8120 176.0446 587 K 4.7484 8.7380 119.9219 54.1786 34.8846 174.2799 588 P 4.7738 0.0000 0.0000 62.5708 32.6239 176.3114 589 R 4.3153 8.9616 120.9460 55.3265 31.0161 177.8427 590 R 4.0086 8.6072 118.3466 59.4525 29.9765 177.9380 591 N 4.5632 8.0131 112.7565 54.0020 38.0658 174.9531 592 D 4.7310 7.9807 119.6920 52.6265 41.9808 174.3270 593 P 4.5569 0.0000 0.0000 61.9219 32.2795 176.1564 594 L 4.1081 8.3324 119.1727 54.6488 42.1224 177.2871 595 L 3.8591 8.3768 119.7291 55.8216 42.0101 177.6486 596 T 4.3775 8.3513 118.9080 62.9759 68.4572 174.2942 597 V 4.7860 8.1764 125.6812 61.0220 35.0169 174.4167 598 L 4.9173 8.5500 124.6081 53.2830 43.4768 175.8099 599 T 5.0496 8.2484 111.1918 60.3979 71.0374 175.5737 600 Q 4.6256 8.9370 121.1580 58.8220 29.2580 177.5069 601 D 4.8182 8.0159 116.9662 53.5733 43.1712 176.2505 602 S 4.7018 8.0555 110.5797 57.8509 64.1192 173.9135 603 M 4.4060 7.8867 122.4708 55.3327 32.7820 176.1940 604 T 4.7319 8.9020 114.7852 60.5359 71.8970 176.2287 605 V 3.5589 8.8049 120.7487 66.1441 31.4838 177.5736 606 E 3.9443 8.5521 119.4137 59.2537 29.3559 178.5065 607 D 4.3222 7.7317 118.9716 57.5292 40.9123 179.0284 608 V 3.5946 7.6496 118.0554 65.7050 31.4993 177.9797 609 E 3.9943 8.2459 118.9704 59.3589 29.2252 179.3152 610 T 3.9316 7.8894 109.8527 64.6149 68.9999 176.8309 611 I 3.6306 7.4981 122.3335 64.3334 36.9343 178.4065 612 I 3.8430 7.5780 119.1478 64.4782 36.9675 178.1701 613 S 4.2313 8.0188 113.1065 61.1419 62.3700 175.4037 614 E 4.3369 8.1932 119.2324 56.3564 29.7654 175.7421 615 T 4.5109 7.3557 107.9873 59.8891 71.5972 173.6544 616 T 4.5547 7.4303 107.4517 61.1084 69.7909 173.6449 617 Y 4.4141 7.2110 120.2493 58.5498 38.5467 177.2282 618 S 4.1549 8.8007 119.5886 61.5088 64.1547 173.8772 619 G 3.8863 7.0774 101.9105 45.0871 0.0000 172.5587 620 F 5.0274 8.5333 118.4601 54.7665 43.3440 173.2427 621 P 4.9974 0.0000 0.0000 62.7510 32.8135 175.4071 622 V 4.8212 8.6185 117.3061 59.8225 33.8863 175.6154 623 V 4.7490 8.3602 117.9726 59.3635 34.7593 177.0178 624 V 3.7667 8.7527 123.1105 65.8538 31.6191 176.1782 625 S 4.6755 7.6913 112.1344 57.0617 65.4385 175.3443 626 R 3.9738 8.5067 120.1915 59.3134 30.1240 178.4932 627 E 4.1583 8.2010 116.9335 59.1354 29.7653 178.2005 628 S 4.2614 7.9913 112.0543 59.3033 63.7028 174.2694 629 Q 3.4157 8.2347 118.3931 56.4417 27.0898 173.0585 630 R 4.4828 7.6893 116.1351 55.6259 31.4621 175.8956 631 L 4.4258 8.5187 126.2118 55.0609 42.3124 176.2100 632 V 4.1631 9.0522 125.8797 62.6638 33.8842 175.5108 633 G 3.9394 6.9010 105.6670 45.6696 0.0000 169.8767 634 F 5.3423 8.1990 120.9766 56.3316 42.7304 174.8886 635 V 4.6867 8.4178 125.4067 59.7675 34.4391 175.0597 636 L 4.4769 8.2546 122.6463 54.0881 43.2085 177.9358 637 R 4.0081 9.4483 122.9421 59.6540 30.0457 178.9407 638 R 3.9520 8.1208 117.5001 59.9259 30.1001 178.5635 639 D 4.4206 8.0696 117.6014 57.0637 40.9069 178.6809 640 L 4.0260 7.8593 119.1379 57.8662 41.6507 179.4276 641 I 3.6880 7.8874 119.5539 64.5220 37.1767 178.3093 642 I 3.6936 7.6978 120.3190 64.8829 37.0675 178.8228 643 S 4.1712 8.1999 115.6493 61.5093 62.4673 176.9180 644 I 3.7677 7.8788 122.6819 64.2826 36.6722 178.1416 645 E 3.9729 8.1388 118.5756 59.6057 29.0495 178.9513 646 N 4.4876 8.1260 115.7890 56.0802 38.6442 177.4296 647 A 3.9949 7.9267 123.2119 54.8080 18.6024 179.0795 648 R 4.5598 7.4310 109.5129 56.3117 30.2240 177.8741 649 K 4.1279 7.5773 117.8100 58.9724 32.6030 177.9449 650 K 4.2156 7.7507 117.9043 55.5207 32.8116 176.1732 651 Q 4.1500 8.4734 123.3690 57.5427 29.5026 175.2919 652 D 4.4754 8.7191 122.0892 55.3777 38.9948 174.4314 653 G 4.1272 7.4549 108.2620 45.7517 0.0000 174.5201 654 V 4.0944 8.1070 120.5889 63.0290 33.2009 176.8305 655 V 4.4324 8.6169 117.9744 59.2903 35.9559 176.8053 656 S 4.0771 8.9402 117.2447 62.3614 62.5309 176.9158 657 T 4.2348 7.7364 106.0983 62.1993 69.3546 174.7762 658 S 4.2878 8.2519 121.1170 58.9674 64.0924 173.4562 659 I 4.4697 8.3769 125.4309 61.0099 38.2837 175.1682 660 I 4.6200 8.7839 128.8138 60.9745 38.2188 174.9585 661 Y 5.1590 8.4188 122.9120 55.6901 41.4704 175.3003 662 F 4.8816 9.2335 118.2122 57.4703 40.6017 175.8058 663 T 4.4144 8.2249 109.3642 60.7782 69.7992 174.5154 664 E 4.1334 8.7476 120.8988 58.7870 29.6417 177.1519 665 H 5.0608 7.7078 113.1644 53.3042 32.3500 173.2324 666 S 2.7900 8.1068 115.8433 56.8601 62.7598 172.2498 667 P 4.3562 0.0000 0.0000 61.3474 31.8656 174.1213 668 P 4.2932 0.0000 0.0000 62.6742 31.4163 175.7012 669 L 4.7515 8.0192 122.9979 51.7076 44.2321 174.7839 670 P 4.3552 0.0000 0.0000 61.5497 32.1817 174.7702 671 P 4.0320 0.0000 0.0000 63.9058 31.5970 176.0040 672 Y 3.7080 7.8237 114.0421 59.0937 35.2810 170.1315 673 T 4.4277 7.1426 109.1898 59.6217 70.2064 172.7233 674 P 4.5438 0.0000 0.0000 61.6144 32.2407 174.0950 675 P 4.5348 0.0000 0.0000 63.2096 31.7251 176.4632 676 T 4.6188 8.4322 112.8516 60.5223 71.4292 173.7523 677 L 4.4347 8.5710 124.2115 53.0817 44.3178 175.1477 678 K 3.3989 8.2286 128.8457 54.9750 32.7902 176.1053 679 L 4.4930 8.0786 127.2736 54.3153 42.5736 178.2873 680 R 4.0212 7.9104 122.6530 59.6478 29.7980 177.6614 681 N 4.6649 8.0721 112.3706 53.8935 37.7006 175.1463 682 I 4.3548 7.6269 111.4489 60.4027 38.2439 174.8743 683 L 4.2489 7.6947 123.7585 54.1158 42.7821 175.5150 684 D 4.5255 8.8619 126.3600 54.1217 40.7674 176.2682 685 L 4.4475 8.4557 126.1623 55.5017 42.7305 177.1362 686 S 4.7235 8.2124 114.1633 56.5033 63.3421 172.5047 687 P 4.4522 0.0000 0.0000 62.0560 32.8209 176.7295 688 F 4.0840 8.5374 123.3459 58.8994 40.5323 173.8029 689 T 5.2741 7.1826 119.7371 62.0444 72.7388 173.3349 690 V 4.6462 8.7515 123.4984 61.2920 35.7519 174.8541 691 T 4.6777 8.5008 116.6191 61.2758 70.0405 175.1861 692 D 4.4053 9.1025 122.4289 56.0293 39.5424 177.7741 693 L 4.4151 7.7367 117.4231 54.7140 42.1467 176.5066 694 T 4.0376 7.7394 117.8051 62.4698 68.9599 172.3364 695 P 4.6617 0.0000 0.0000 63.0556 32.1521 177.1385 696 M 4.0182 9.0716 123.6887 58.5269 31.8680 178.7258 697 E 4.0560 8.2534 117.2403 59.7045 29.5203 179.3568 698 I 3.7516 7.9111 120.6348 63.9464 37.1781 178.3820 699 V 3.6837 7.7453 118.6829 66.1123 31.3724 178.0430 700 V 3.5718 8.3295 118.2124 65.9717 31.3388 177.2734 701 D 4.3475 8.0250 117.6189 57.5872 40.9440 178.4520 702 I 3.5727 7.8844 120.0436 64.3235 37.0956 178.3819 703 F 3.6953 8.4147 118.6693 60.4329 38.5193 177.8135 704 R 3.9046 7.9259 116.9238 59.5136 30.0535 178.4438 705 K 4.0919 8.2638 117.3852 58.8705 32.1398 178.6297 706 L 4.3039 7.9872 117.5096 53.6039 42.7797 176.3710 707 G 3.7303 7.9892 106.2634 46.3430 0.0000 174.1918 708 L 3.9507 7.2873 117.3017 54.5070 42.8601 178.0263 709 R 4.4270 8.4218 120.7643 58.8109 31.4326 176.1014 710 Q 5.1782 7.4868 113.4485 55.4256 32.0902 173.4389 711 C 4.7081 9.5306 119.4548 57.8760 35.2377 172.5282 712 L 4.8349 8.7084 126.1987 53.7508 43.4221 175.5602 713 V 4.9058 8.7930 123.7303 61.4349 33.6276 174.5596 714 T 5.1230 9.1150 118.2450 60.1831 72.1105 172.7382 715 H 4.8975 9.0837 123.0990 54.5434 32.5247 173.4248 716 N 4.0596 9.7616 125.2190 54.3599 35.9772 175.5226 717 G 3.9575 8.3501 104.9554 45.3377 0.0000 173.8336 718 R 4.6483 7.6815 119.4216 53.9889 31.7822 175.5808 719 L 4.3405 8.9248 124.7763 55.2743 42.6061 175.8440 720 L 4.5493 8.6923 127.6031 56.6187 44.6749 175.6997 721 G 4.1687 7.3929 102.9138 46.0689 0.0000 171.6168 722 I 5.1849 8.7224 119.0501 59.3492 42.1174 174.7896 723 I 4.9761 9.2684 128.9838 59.8729 40.4215 175.1385 724 T 4.8524 8.9085 117.6773 60.0421 71.1949 175.8434 725 K 3.7141 9.3281 123.5539 59.7816 32.0094 178.7244 726 K 3.8712 8.0343 119.1103 59.5760 32.1400 178.0194 727 D 4.3144 7.9848 119.1707 57.5582 40.7538 179.2497 728 V 3.4103 7.3675 118.4071 65.8590 31.4056 178.0722 729 L 3.9784 8.0472 119.0131 57.8072 41.4283 179.7368 730 K 3.9600 8.3606 118.7634 59.5457 31.6916 178.9678 731 H 4.1851 8.1925 118.7396 59.1673 29.7601 177.5082 732 I 3.6659 7.9461 121.5774 64.1705 36.8791 178.1245 733 A 3.8406 8.1301 121.8373 55.1777 17.9277 179.4331 734 Q 3.8282 7.7153 117.0972 59.6578 29.1865 178.2292 735 M 4.1369 7.3627 118.3344 57.8577 31.9877 178.4200 736 A 2.9491 7.1302 120.4697 54.1878 19.7445 178.6719 737 N 4.6324 7.9145 115.6810 54.0747 35.8086 172.5638 738 Q 4.4298 7.9638 122.6984 57.1298 32.5441 175.2536 739 D 4.5505 7.4971 120.1282 54.8193 47.3800 179.0779 *744 L 4.5345 7.7573 118.1210 54.0197 43.5843 181.1650 745 F 4.4572 8.1473 120.3779 60.9684 39.4231 177.0666 746 N 4.4224 8.3357 115.9520 56.2336 38.3582 176.9736 747 E 4.0359 8.1593 119.5700 59.0122 29.5948 178.8105 748 F 4.2131 7.6949 119.5975 60.9259 39.1760 177.3940 749 L 3.5108 7.4576 117.9694 57.3031 41.3634 178.9268 750 E 4.0012 7.7028 118.0544 59.2925 29.4390 179.0820 751 V 3.6286 6.9279 116.7574 65.7523 31.6037 176.3136 752 L 4.0914 6.9653 121.7977 54.8486 41.5811 176.6407 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 *578 H 8.44 4.67 0.00 2.95 2.99 0.00 7.17 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 K 8.39 4.09 0.00 1.85 1.76 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.55 7.81 580 T 9.51 4.21 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 1.19 0.00 0.00 581 L 9.24 5.18 0.00 1.52 1.68 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 582 A 8.99 3.95 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 0.00 583 M 7.85 4.23 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 584 D 8.10 4.52 0.00 2.82 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 0.00 585 V 7.51 4.16 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 0.74 0.00 0.00 0.74 0.00 0.00 586 M 7.83 4.44 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 587 K 8.74 4.75 0.00 1.63 1.71 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.50 7.81 588 P 0.00 4.77 0.00 2.09 2.18 0.00 3.88 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 1.98 2.00 0.00 589 R 8.96 4.32 0.00 1.88 1.90 0.00 3.45 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 590 R 8.61 4.01 0.00 1.80 2.02 0.00 3.20 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 591 N 8.01 4.56 0.00 2.82 2.95 0.00 0.00 6.04 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 D 7.98 4.73 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 593 P 0.00 4.56 0.00 2.23 2.09 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 594 L 8.33 4.11 0.00 1.68 1.69 0.93 0.98 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 0.00 595 L 8.38 3.86 0.00 1.65 1.66 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 596 T 8.35 4.38 4.70 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 1.41 0.00 0.00 597 V 8.18 4.79 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 0.85 0.00 0.00 0.98 0.00 0.00 598 L 8.55 4.92 0.00 1.55 1.60 0.99 0.17 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 0.00 599 T 8.25 5.05 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 1.23 0.00 0.00 600 Q 8.94 4.63 0.00 2.34 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 601 D 8.02 4.82 0.00 2.82 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 0.00 602 S 8.06 4.70 0.00 3.98 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 0.00 603 M 7.89 4.41 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 604 T 8.90 4.73 4.45 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 1.22 0.00 0.00 605 V 8.80 3.56 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.95 0.00 0.00 606 E 8.55 3.94 0.00 2.18 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 2.30 2.35 0.00 607 D 7.73 4.32 0.00 2.99 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 0.00 608 V 7.65 3.59 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 0.97 0.00 0.00 0.94 0.00 0.00 609 E 8.25 3.99 0.00 2.24 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 2.32 2.45 0.00 610 T 7.89 3.93 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 1.30 0.00 0.00 611 I 7.50 3.63 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.47 0.00 0.00 612 I 7.58 3.84 2.02 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 1.55 0.60 0.96 0.00 0.00 613 S 8.02 4.23 0.00 3.96 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 614 E 8.19 4.34 0.00 2.04 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 2.31 2.39 0.00 615 T 7.36 4.51 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 1.32 0.00 0.00 616 T 7.43 4.55 4.18 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 1.15 0.00 0.00 617 Y 7.21 4.41 0.00 2.68 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 0.00 618 S 8.80 4.15 0.00 3.83 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 0.00 619 G 7.08 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 0.00 620 F 8.53 5.03 0.00 2.79 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 0.00 621 P 0.00 5.00 0.00 2.15 2.11 0.00 3.87 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 622 V 8.62 4.82 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 -0.04 0.00 0.00 0.66 0.00 0.00 623 V 8.36 4.75 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 0.81 0.00 0.00 0.97 0.00 0.00 624 V 8.75 3.77 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 0.95 0.00 0.00 699 V 7.75 3.68 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 1.17 0.00 0.00 1.04 0.00 0.00 700 V 8.33 3.57 2.22 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 0.94 0.00 0.00 0.91 0.00 0.00 701 D 8.02 4.35 0.00 3.03 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 0.00 702 I 7.88 3.57 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 0.20 0.00 0.00 703 F 8.41 3.70 0.00 3.28 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 704 R 7.93 3.90 0.00 1.84 2.08 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 705 K 8.26 4.09 0.00 1.74 1.80 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.52 7.81 706 L 7.99 4.30 0.00 1.33 1.47 0.34 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 707 G 7.99 3.73 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 0.00 0.00 0.00 708 L 7.29 3.95 0.00 0.29 1.07 -0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 709 R 8.42 4.43 0.00 1.78 1.97 0.00 3.17 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 710 Q 7.49 5.18 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.68 0.00 0.00 0.00 0.00 0.00 1.72 1.45 0.00 711 C 9.53 4.71 0.00 2.88 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 712 L 8.71 4.83 0.00 1.61 1.53 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 713 V 8.79 4.91 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 1.16 0.00 0.00 0.95 0.00 0.00 714 T 9.11 5.12 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 1.19 0.00 0.00 715 H 9.08 4.90 0.00 3.33 3.19 0.00 5.93 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 716 N 9.76 4.06 0.00 2.65 2.75 0.00 0.00 7.29 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 0.00 717 G 8.35 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 0.00 0.00 0.00 718 R 7.68 4.65 0.00 1.89 1.85 0.00 3.14 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 719 L 8.92 4.34 0.00 1.58 1.68 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 720 L 8.69 4.55 0.00 1.76 1.64 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 721 G 7.39 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 0.00 722 I 8.72 5.18 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.71 0.87 0.00 0.00 723 I 9.27 4.98 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 0.72 0.00 0.00 724 T 8.91 4.85 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 1.26 0.00 0.00 725 K 9.33 3.71 0.00 2.12 1.93 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.59 7.81 726 K 8.03 3.87 0.00 1.87 1.79 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.53 7.81 727 D 7.98 4.31 0.00 2.91 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 728 V 7.37 3.41 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 -0.05 0.00 0.00 729 L 8.05 3.98 0.00 1.84 1.68 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 730 K 8.36 3.96 0.00 1.92 1.83 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.62 7.81 731 H 8.19 4.19 0.00 3.21 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 732 I 7.95 3.67 2.02 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 1.49 0.84 1.06 0.00 0.00 733 A 8.13 3.84 1.31 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 0.00 0.00 0.00 734 Q 7.72 3.83 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 735 M 7.36 4.14 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 736 A 7.13 2.95 0.31 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 0.00 0.00 0.00 737 N 7.91 4.63 0.00 2.62 2.71 0.00 0.00 7.00 7.07 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 0.00 738 Q 7.96 4.43 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 739 D 7.50 4.55 0.00 2.69 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *744 L 7.76 4.53 0.00 1.59 1.74 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 745 F 8.15 4.46 0.00 3.16 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 0.00 746 N 8.34 4.42 0.00 2.90 2.88 0.00 0.00 7.18 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 0.00 747 E 8.16 4.04 0.00 2.20 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 2.41 2.39 0.00 748 F 7.69 4.21 0.00 2.95 2.83 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 0.00 0.00 0.00 749 L 7.46 3.51 0.00 1.72 1.57 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 750 E 7.70 4.00 0.00 2.07 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 2.30 2.49 0.00 751 V 6.93 3.63 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.96 0.00 0.00 752 L 6.97 4.09 0.00 1.50 1.34 0.42 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.