NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *578 H 4.7603 8.4449 117.3760 54.3788 30.6411 173.2764 579 K 4.4002 7.6793 120.0966 54.4094 33.0608 174.8457 580 T 4.2799 9.2656 114.5436 61.8253 70.5739 173.5734 581 L 5.0117 9.5133 124.9548 52.4625 45.0036 177.3409 582 A 3.9172 9.3808 123.5928 55.6604 18.3010 179.2004 583 M 4.3563 7.7415 110.8328 55.9343 31.1571 176.5250 584 D 4.8168 8.0699 118.7881 54.4852 42.4125 176.9774 585 V 4.2832 7.5223 116.2228 62.5386 33.5822 175.3394 586 M 4.4919 7.7724 116.4989 55.4348 31.9788 175.8988 587 K 4.8653 8.9491 120.0173 54.0315 35.1614 174.0670 588 P 4.7510 0.0000 0.0000 62.2776 32.9266 176.2198 589 R 4.2332 8.4680 120.9386 55.2103 31.0270 176.1060 590 R 4.1077 8.2936 115.7478 58.0065 29.4480 176.1952 591 N 4.2880 8.8890 117.5251 54.3776 35.8886 173.5361 592 D 5.0610 7.5828 116.6518 51.3548 43.5524 174.6896 593 P 4.4333 0.0000 0.0000 62.3917 31.9129 176.3980 594 L 4.1214 8.3626 120.0706 54.6621 42.1738 177.2417 595 L 3.8776 8.3647 120.3175 55.5094 41.8885 177.5489 596 T 4.2135 8.5236 120.4638 63.5589 68.0759 173.9774 597 V 4.8128 8.1206 125.2928 59.8070 34.8770 174.8122 598 L 4.8596 8.7827 121.7436 53.4235 44.1639 176.0731 599 T 5.0022 8.3793 112.0478 60.8030 70.5016 174.8267 600 Q 4.6682 8.9010 120.5897 58.3287 29.2901 177.1516 601 D 4.7840 8.2575 116.0313 53.8205 44.0276 175.8427 602 S 4.6752 7.9309 110.4813 57.9060 64.0441 173.8540 603 M 4.2509 7.8361 122.6469 55.2202 32.6511 176.4555 604 T 4.6639 8.5578 114.8658 60.5808 72.1506 176.0394 605 V 3.5582 8.0312 119.3412 66.1218 31.3358 177.7678 606 E 4.1850 8.3530 117.3970 59.1098 29.6469 178.6454 607 D 4.3188 7.7655 120.0146 57.4561 40.9639 179.1013 608 V 3.5028 7.5388 118.0863 65.9057 31.5601 177.6911 609 E 3.9678 8.0541 118.4639 59.8276 29.3346 179.6124 610 T 4.0084 8.0479 111.1021 64.2530 68.2846 176.7546 611 I 3.6766 7.5478 122.2603 64.1877 36.8642 178.3910 612 I 3.8679 7.9546 120.3229 64.4340 36.6913 178.3472 613 S 4.3120 8.2093 115.0721 60.8039 62.8360 175.4065 614 E 4.4574 8.0568 119.6759 55.6915 29.8263 175.3420 615 T 4.5854 7.1827 107.8954 59.9131 71.7645 173.6511 616 T 4.5227 7.4747 107.7609 60.6997 69.5784 173.7850 617 Y 4.3309 7.2145 120.7622 58.5861 38.5565 177.4906 618 S 4.3494 8.8922 119.8895 61.7023 63.1721 174.1619 619 G 3.7938 6.9639 106.7451 44.6723 0.0000 171.6780 620 F 4.7751 7.8006 116.8274 54.9368 43.3543 173.4910 621 P 5.0454 0.0000 0.0000 62.5322 32.9720 175.3712 622 V 4.8544 8.6994 121.7710 60.0707 34.0685 175.0475 623 V 4.8610 8.5761 116.9062 59.3222 35.1924 176.6103 624 V 3.7718 8.4123 123.6488 65.8801 31.5297 176.3462 625 S 4.7112 7.7645 112.1730 56.8418 65.5385 175.1479 626 R 3.9334 8.5508 120.5712 59.3235 30.1515 178.2176 627 E 4.1070 8.2165 118.1115 59.0115 29.9993 177.8436 628 S 4.2087 8.0589 112.2824 59.9458 63.6682 174.8722 629 Q 3.4748 8.5799 117.9585 56.3468 26.8509 172.9592 630 R 4.3835 7.7744 118.0697 55.5042 30.8132 175.9810 631 L 4.3045 8.6071 127.2876 55.8977 41.9814 176.3406 632 V 4.0395 8.8443 126.6805 64.6231 33.1040 175.3681 633 G 4.1266 7.1260 104.3327 46.1804 0.0000 171.2463 634 F 5.3873 8.4627 121.9153 56.4114 42.9744 175.0891 635 V 4.6856 7.9794 125.3178 59.7455 34.4505 175.1160 636 L 4.6358 8.3355 122.9594 53.8832 43.0513 177.7023 637 R 4.0694 8.9723 122.9329 59.7976 30.0244 179.1264 638 R 3.9300 8.0529 117.1544 59.7077 30.0854 178.6523 639 D 4.4247 8.0850 117.8683 57.1611 40.8942 178.6331 640 L 4.0275 7.9259 119.3040 57.8426 41.6610 179.5594 641 I 3.7142 7.7381 119.5633 64.5035 37.1043 178.5851 642 I 3.6866 7.5901 119.9211 64.4453 36.8327 178.6006 643 S 4.0959 8.2100 115.9753 61.8640 62.8879 176.9369 644 I 3.6970 7.7809 122.2425 64.4708 36.5915 178.4532 645 E 4.0891 7.9640 118.4933 59.4411 29.0818 178.8453 646 N 4.4989 8.3443 115.8022 55.4985 38.3931 177.2381 647 A 4.0845 7.4764 121.7861 54.6916 18.6291 179.2258 648 R 4.1318 7.5224 113.7492 57.5277 30.3411 177.1565 649 K 4.3896 7.2214 117.8946 55.8701 32.1103 176.2277 650 K 4.3192 7.8132 116.3397 55.5277 33.9408 175.3887 651 Q 3.2704 7.8356 115.5726 57.9717 25.7897 173.3887 652 D 4.6413 7.9100 113.6687 53.9726 42.3638 177.9900 653 G 3.8467 8.1508 107.0156 45.5835 0.0000 173.5698 654 V 3.6940 7.6662 119.1836 62.4808 32.0593 175.4792 655 V 4.5986 7.8640 120.0087 59.3778 35.2084 176.0710 656 S 4.2734 8.6154 113.6040 61.0110 62.3118 175.3219 657 T 4.6341 7.6818 109.2259 61.3049 69.2956 173.8159 658 S 4.5817 7.4987 116.9531 58.5465 64.7402 173.8214 659 I 4.3078 8.3106 124.8500 61.4966 38.1369 174.8051 660 I 4.7565 8.7894 128.9861 60.1412 38.2366 174.9155 661 Y 4.9518 7.9193 124.1012 55.2701 41.2413 175.7685 662 F 4.9817 8.7978 118.8340 57.5449 40.1028 176.0207 663 T 4.3696 8.1004 109.6217 60.6993 69.7751 174.2915 664 E 4.0906 8.7536 122.3665 58.7149 29.8129 176.2741 665 H 5.0692 7.6415 112.9294 53.2394 32.5605 173.0667 666 S 2.7900 7.9985 115.9386 56.8977 62.7670 172.4164 667 P 4.2700 0.0000 0.0000 61.4947 31.7775 174.2533 668 P 4.1452 0.0000 0.0000 63.2336 31.3236 175.9065 669 L 4.7876 7.9973 122.6341 51.6251 45.3082 174.8143 670 P 4.3516 0.0000 0.0000 61.6277 32.0370 175.5218 671 P 4.1738 0.0000 0.0000 66.1980 30.9675 176.9560 672 Y 4.3622 7.5006 114.1102 58.0787 38.4605 175.8758 673 T 3.9806 7.0385 118.7780 62.4325 69.0581 172.6036 674 P 4.3749 0.0000 0.0000 62.1525 31.8222 174.1816 675 P 4.4100 0.0000 0.0000 63.8199 31.9315 176.0364 676 T 4.4762 8.3912 113.1175 60.5674 71.6803 173.3730 677 L 4.5152 8.4764 122.7131 52.9945 44.6819 175.0075 678 K 3.5133 8.2823 128.2458 55.0138 33.2780 176.3092 679 L 4.7301 8.0497 126.7027 54.3606 43.2282 178.7481 680 R 4.0956 8.0647 122.5161 59.4301 30.1225 177.6120 681 N 4.7332 8.1529 112.3120 53.7807 37.2920 174.9517 682 I 4.4874 7.6354 110.4316 60.3913 38.4401 174.7106 683 L 4.2851 7.9376 123.6680 53.9787 42.9975 175.8727 684 D 4.5857 8.9683 126.3846 53.6454 40.0470 176.5102 685 L 4.3069 8.3819 126.1743 56.0792 42.5710 177.5454 686 S 4.8128 8.1333 114.4807 56.7498 63.1543 172.5381 687 P 4.4539 0.0000 0.0000 62.2461 32.7657 176.0297 688 F 4.2617 8.5606 123.4011 58.1413 40.3811 174.1197 689 T 5.1808 7.7405 115.4837 59.9270 71.7231 173.3432 690 V 4.6493 8.9068 122.4702 61.2242 35.5131 174.9360 691 T 4.7349 8.4785 116.7573 61.3052 69.8230 175.2698 692 D 4.4160 8.9574 122.8079 56.1190 39.5263 177.8205 693 L 4.4105 7.7596 117.3800 55.0914 42.2605 176.6709 694 T 4.0770 7.8835 118.4856 62.2600 69.1337 172.3698 695 P 4.7600 0.0000 0.0000 62.8581 32.1697 177.2905 696 M 4.0442 9.2652 121.6486 58.3019 31.7510 178.5186 697 E 3.8927 8.3021 119.2225 59.6791 29.6654 179.0348 698 I 3.7272 7.6495 119.0302 64.2037 37.1063 178.4814 699 V 3.6683 7.7499 118.6340 66.1262 31.3663 177.8635 700 V 3.5640 8.3389 118.1128 66.1207 31.3086 177.3054 701 D 4.3100 8.1031 117.5249 57.4896 41.0029 178.2890 702 I 3.5645 8.2108 120.5044 64.4327 37.2305 178.3667 703 F 3.7107 8.6178 118.9425 60.5612 38.5142 177.8096 704 R 3.9406 8.3064 117.5701 59.3177 29.9804 178.3393 705 K 4.1395 8.3905 117.7369 58.1534 32.2648 178.2574 706 L 4.4541 7.8466 116.5630 52.8857 43.1731 176.1740 707 G 3.9299 7.7338 106.8577 46.4183 0.0000 174.1672 708 L 4.0187 7.3212 116.4777 54.5103 42.9203 177.9142 709 R 4.4915 8.2740 120.0952 58.5187 31.6248 176.0513 710 Q 5.1596 7.3841 113.5740 55.6214 31.4288 173.2103 711 C 4.9771 9.8198 120.5873 57.6727 35.6426 172.3128 712 L 5.0494 8.7166 124.7026 53.1500 43.8749 175.4189 713 V 4.9139 8.8592 124.3623 61.7367 33.2825 174.8761 714 T 5.1535 8.9132 118.0162 60.2031 72.5739 172.6523 715 H 4.8937 9.3959 122.1832 54.6501 32.8310 173.2632 716 N 4.1668 9.7012 125.6113 54.4753 36.0292 174.9394 717 G 3.8503 8.2466 100.7577 45.7588 0.0000 172.8353 718 R 4.4852 7.7811 119.7785 53.4473 32.2309 174.5717 719 L 4.4159 8.5781 128.0804 55.5003 42.4824 175.8306 720 L 4.5033 8.9246 126.6884 56.3705 43.9310 176.3292 721 G 4.0901 7.2339 102.9519 46.0646 0.0000 171.7233 722 I 5.1659 9.0082 120.0520 59.1759 41.7534 174.7475 723 I 5.0036 9.1206 129.4890 59.8609 40.2057 175.4510 724 T 4.8434 8.7124 117.8124 60.1574 71.3035 176.0900 725 K 3.6370 8.8083 122.1995 59.5623 32.1202 178.5118 726 K 3.8717 8.0771 119.3424 59.6558 32.1460 178.1960 727 D 4.3020 7.9012 119.0323 57.3622 40.7038 178.9530 728 V 3.4538 7.4071 118.7148 65.8061 31.4094 178.1634 729 L 3.9837 8.0092 118.8818 57.6794 41.4977 179.5572 730 K 4.1027 8.0461 118.4990 59.5404 32.0270 178.9702 731 H 4.1926 8.0466 118.3178 59.2597 29.5901 177.4095 732 I 3.7297 7.7598 120.3955 64.1556 37.1339 177.8042 733 A 4.1604 8.4345 122.0787 55.5067 17.7628 179.6222 734 Q 3.9486 8.1110 117.5989 59.3156 28.7958 178.2736 735 M 4.0579 7.6012 118.7868 58.2130 32.0287 178.0874 736 A 3.1978 7.1980 119.7463 54.5138 18.3706 177.7744 737 N 4.5141 7.2482 112.1978 53.8855 38.7859 175.7563 *745 F 4.8913 8.1024 123.1150 58.4182 41.1187 176.2765 746 N 4.3514 8.0301 114.7847 53.6510 36.6900 176.5038 747 E 4.0003 7.9456 122.2119 59.3309 29.6858 178.5743 748 F 4.1761 8.1917 121.5982 61.2823 39.2740 177.3515 749 L 3.7386 7.4202 116.5620 57.3246 41.4471 178.5599 750 E 3.9808 7.6710 118.9952 59.1253 29.6293 177.4764 751 V 3.8310 7.0851 115.6983 61.5314 31.7854 175.8492 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 4.76 0.00 2.95 3.01 0.00 7.17 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 579 K 7.68 4.40 0.00 1.72 1.78 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.51 7.81 580 T 9.27 4.28 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 1.25 0.00 0.00 581 L 9.51 5.01 0.00 1.56 1.84 0.93 0.82 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 0.00 582 A 9.38 3.92 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 0.00 583 M 7.74 4.36 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.77 0.00 584 D 8.07 4.82 0.00 2.81 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 0.00 585 V 7.52 4.28 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 0.76 0.00 0.00 0.70 0.00 0.00 586 M 7.77 4.49 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 587 K 8.95 4.87 0.00 1.59 1.69 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.48 7.81 588 P 0.00 4.75 0.00 2.08 2.15 0.00 3.89 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 2.06 0.00 589 R 8.47 4.23 0.00 2.03 1.92 0.00 3.56 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 590 R 8.29 4.11 0.00 1.90 1.96 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 591 N 8.89 4.29 0.00 2.91 2.99 0.00 0.00 6.92 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 7.58 5.06 0.00 3.00 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 0.00 593 P 0.00 4.43 0.00 2.24 2.10 0.00 3.83 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 2.06 2.05 0.00 594 L 8.36 4.12 0.00 1.68 1.69 0.93 1.00 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 0.00 595 L 8.36 3.88 0.00 1.65 1.64 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 596 T 8.52 4.21 4.72 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 1.44 0.00 0.00 597 V 8.12 4.81 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.00 0.00 0.00 598 L 8.78 4.86 0.00 1.43 1.66 0.97 0.20 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 0.00 599 T 8.38 5.00 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 0.00 600 Q 8.90 4.67 0.00 2.35 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.61 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 601 D 8.26 4.78 0.00 2.66 2.69 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 0.00 602 S 7.93 4.68 0.00 3.96 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 7.84 4.25 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.52 0.00 604 T 8.56 4.66 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 605 V 8.03 3.56 2.21 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 1.02 0.00 0.00 0.95 0.00 0.00 606 E 8.35 4.19 0.00 2.24 2.18 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 2.43 2.34 0.00 607 D 7.77 4.32 0.00 2.98 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 0.00 608 V 7.54 3.50 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 0.93 0.00 0.00 0.94 0.00 0.00 609 E 8.05 3.97 0.00 2.22 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 2.32 2.49 0.00 610 T 8.05 4.01 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 1.22 0.00 0.00 611 I 7.55 3.68 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.10 0.47 0.00 0.00 612 I 7.95 3.87 2.05 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 1.63 0.65 0.97 0.00 0.00 613 S 8.21 4.31 0.00 4.06 4.20 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 0.00 0.00 0.00 614 E 8.06 4.46 0.00 2.05 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 2.30 2.39 0.00 615 T 7.18 4.59 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 1.41 0.00 0.00 616 T 7.47 4.52 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 1.13 0.00 0.00 617 Y 7.21 4.33 0.00 2.53 2.66 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 0.00 618 S 8.89 4.35 0.00 3.95 3.98 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 0.00 619 G 6.96 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 0.00 620 F 7.80 4.78 0.00 2.76 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 0.00 621 P 0.00 5.05 0.00 2.13 2.09 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 622 V 8.70 4.85 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.78 0.00 0.00 623 V 8.58 4.86 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.03 0.00 0.00 624 V 8.41 3.77 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.02 0.00 0.00 625 S 7.76 4.71 0.00 4.01 3.91 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.83 0.92 0.00 0.00 643 S 8.21 4.10 0.00 3.97 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 0.00 644 I 7.78 3.70 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.96 0.89 0.00 0.00 645 E 7.96 4.09 0.00 2.15 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 2.34 2.50 0.00 646 N 8.34 4.50 0.00 2.82 2.85 0.00 0.00 6.90 7.42 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 0.00 647 A 7.48 4.08 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 648 R 7.52 4.13 0.00 1.87 1.99 0.00 3.14 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 649 K 7.22 4.39 0.00 1.89 1.90 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.35 7.81 650 K 7.81 4.32 0.00 1.88 1.95 0.00 1.96 0.00 0.00 2.02 0.00 0.00 3.02 0.00 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0.00 2.13 2.14 0.00 3.35 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.06 0.00 668 P 0.00 4.15 0.00 2.01 2.02 0.00 3.55 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 1.99 2.06 0.00 669 L 8.00 4.79 0.00 1.46 1.39 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 670 P 0.00 4.35 0.00 1.34 2.00 0.00 3.50 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.65 0.00 671 P 0.00 4.17 0.00 2.24 2.25 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 672 Y 7.50 4.36 0.00 3.07 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 0.00 673 T 7.04 3.98 4.12 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 1.13 0.00 0.00 674 P 0.00 4.37 0.00 2.17 2.08 0.00 3.79 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 1.99 2.01 0.00 675 P 0.00 4.41 0.00 1.95 2.06 0.00 3.67 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 2.15 2.12 0.00 676 T 8.39 4.48 4.63 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 1.29 0.00 0.00 677 L 8.48 4.52 0.00 1.61 1.35 0.82 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 678 K 8.28 3.51 0.00 1.35 1.44 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.18 1.03 7.81 679 L 8.05 4.73 0.00 1.16 1.58 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 680 R 8.06 4.10 0.00 1.95 1.94 0.00 3.44 0.00 0.00 3.59 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 681 N 8.15 4.73 0.00 2.88 2.92 0.00 0.00 5.79 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 0.00 682 I 7.64 4.49 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.94 0.00 0.00 683 L 7.94 4.29 0.00 1.71 1.83 0.62 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.92 0.00 0.00 0.97 0.00 0.00 701 D 8.10 4.31 0.00 2.96 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 0.00 702 I 8.21 3.56 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 0.27 0.00 0.00 703 F 8.62 3.71 0.00 3.27 3.05 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 0.00 704 R 8.31 3.94 0.00 1.86 2.08 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 705 K 8.39 4.14 0.00 1.73 1.79 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.57 7.81 706 L 7.85 4.45 0.00 1.27 1.43 0.32 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 707 G 7.73 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 0.00 0.00 0.00 708 L 7.32 4.02 0.00 0.57 0.98 -0.23 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 709 R 8.27 4.49 0.00 1.72 1.97 0.00 3.17 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 710 Q 7.38 5.16 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.73 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 711 C 9.82 4.98 0.00 2.84 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 712 L 8.72 5.05 0.00 1.60 1.55 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 713 V 8.86 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 1.04 0.00 0.00 0.96 0.00 0.00 714 T 8.91 5.15 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 9.40 4.89 0.00 3.30 3.16 0.00 5.92 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 716 N 9.70 4.17 0.00 2.73 2.75 0.00 0.00 7.22 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 8.25 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 0.00 0.00 0.00 718 R 7.78 4.49 0.00 1.84 2.07 0.00 3.15 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 719 L 8.58 4.42 0.00 1.66 1.69 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 720 L 8.92 4.50 0.00 1.69 1.68 0.93 0.73 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 0.00 721 G 7.23 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 0.00 722 I 9.01 5.17 1.87 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 1.21 1.65 0.84 0.00 0.00 723 I 9.12 5.00 1.99 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 0.93 0.73 0.00 0.00 724 T 8.71 4.84 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 1.22 0.00 0.00 725 K 8.81 3.64 0.00 2.03 1.89 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.52 7.81 726 K 8.08 3.87 0.00 1.86 1.80 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.54 7.81 727 D 7.90 4.30 0.00 2.95 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 0.00 728 V 7.41 3.45 1.80 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 0.81 0.00 0.00 -0.05 0.00 0.00 729 L 8.01 3.98 0.00 1.71 1.68 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 730 K 8.05 4.10 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.60 7.81 731 H 8.05 4.19 0.00 3.24 3.47 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 0.00 732 I 7.76 3.73 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.90 1.03 0.00 0.00 733 A 8.43 4.16 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 0.00 734 Q 8.11 3.95 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 735 M 7.60 4.06 0.00 2.17 2.47 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.69 0.00 736 A 7.20 3.20 0.74 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 0.00 0.00 737 N 7.25 4.51 0.00 2.84 2.80 0.00 0.00 6.93 7.33 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 *745 F 8.10 4.89 0.00 3.09 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 0.00 746 N 8.03 4.35 0.00 3.00 3.03 0.00 0.00 6.25 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 7.95 4.00 0.00 1.95 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 2.31 2.37 0.00 748 F 8.19 4.18 0.00 2.73 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 0.00 749 L 7.42 3.74 0.00 1.54 1.63 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 750 E 7.67 3.98 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 751 V 7.09 3.83 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 0.71 0.00 0.00 0.69 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.