NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 577 N 4.8210 8.4249 117.7934 52.5287 39.5038 173.7768 578 R 4.4567 8.0766 117.2011 54.5086 33.4973 172.0768 579 W 4.8280 8.9080 127.9356 56.2659 33.6667 175.8627 580 V 3.9852 6.9457 123.2182 60.3391 33.7020 173.4315 581 P 4.0033 0.0000 0.0000 62.1931 33.0342 178.4560 582 K 4.4299 7.8207 131.6762 55.1961 30.2071 180.3419 *597 K 4.4780 8.5983 119.4327 54.7407 33.8965 175.6728 598 T 3.6138 8.1067 110.7823 63.1082 68.9050 171.8370 599 E 4.6319 7.8531 119.8817 53.6510 31.9904 174.1690 600 L 4.9078 8.2023 125.3571 53.2355 45.1216 175.4393 601 L 4.9445 8.2805 120.3792 51.4543 45.5082 176.9936 602 D 4.7315 8.6710 123.4003 52.0693 42.2514 177.3132 603 K 3.8354 8.5716 118.1571 59.8823 31.8605 178.8449 604 D 4.2899 8.0078 117.2143 57.5899 40.8741 177.8653 605 E 4.0244 8.0394 118.6085 59.3739 29.3805 179.7246 606 V 3.6257 8.0550 118.4587 66.0143 31.5512 178.0234 607 E 4.1617 8.2437 118.3635 59.4738 29.3034 179.6171 608 R 3.9428 8.4155 118.5227 59.3061 30.1782 179.3531 609 K 4.0605 8.1309 118.2962 59.6338 31.9981 179.4503 610 M 4.1115 8.1685 119.1600 57.9811 31.8257 178.7027 611 K 3.8437 8.3028 119.0566 59.6560 32.0906 178.9938 612 S 4.0787 7.5969 111.1796 61.6289 62.5006 176.0348 613 L 4.1142 7.9432 121.4483 57.7706 41.1922 179.3593 614 L 4.2147 8.2421 117.7427 57.0845 41.6682 178.6115 615 N 4.4971 8.1101 115.6942 54.9009 38.6922 176.4549 616 K 4.4348 7.3450 117.7258 55.3772 32.8810 176.0141 617 L 3.7753 7.4954 121.0835 55.4865 42.1255 175.6824 618 T 4.5066 7.8993 114.9696 59.2398 72.0503 174.5510 619 L 4.0249 8.3708 122.8516 57.6485 42.4873 177.8114 620 E 4.1104 8.2826 118.6659 59.3078 30.0124 177.7251 621 M 4.5595 8.0814 117.3564 55.8806 32.6588 177.9371 622 F 3.9691 7.8634 121.4018 61.3772 38.8762 176.2128 623 D 4.6024 8.7113 118.8696 56.7983 40.7864 179.1213 624 A 4.0119 7.8814 120.5690 55.1241 18.5853 179.4803 625 I 3.8726 7.6317 118.3355 63.9935 36.9536 178.6748 626 S 3.9858 8.3876 115.5658 60.8785 62.8192 176.6327 627 S 4.2170 7.6366 117.3490 61.2339 62.6970 176.3047 628 E 4.0223 7.7368 120.7851 59.1042 29.3117 179.2862 629 I 3.8241 7.8710 120.0951 64.1360 37.2000 178.1982 630 L 4.0011 7.8042 120.6551 57.8567 41.6572 178.8129 631 A 4.0930 7.6283 119.6140 54.7122 18.3953 179.1851 632 I 3.9492 7.3898 117.1005 64.0929 37.1442 178.2239 633 A 4.0749 7.9778 121.1692 54.6495 18.1102 178.5396 634 N 4.6307 8.0663 113.3027 54.3736 38.7999 177.1653 635 I 3.9170 7.5700 122.6488 64.1601 37.3168 177.6776 636 S 4.5433 7.6941 113.5853 60.1229 62.3272 176.5151 637 V 3.4851 7.2080 115.5091 62.9269 31.1121 176.5401 638 W 5.1143 7.6152 117.4807 56.4272 29.4068 175.5774 639 E 4.8890 7.7617 116.0948 55.0786 33.2824 176.3748 640 T 4.1804 8.6064 117.4210 66.3982 69.0078 177.0220 641 N 5.2328 7.2191 114.7868 51.7744 39.3156 175.3994 642 G 4.1642 8.1935 105.4352 46.2483 0.0000 175.7591 643 E 4.0124 8.1492 118.7370 59.5515 30.0422 178.4202 644 T 3.8939 8.4718 116.7899 66.2060 68.5424 176.3513 645 L 4.0206 7.9151 122.0796 58.2537 42.0960 179.0006 646 K 3.9968 8.1892 117.6588 59.6691 31.8843 179.1436 647 A 3.9995 7.8007 120.9858 54.9329 18.3688 179.7270 648 V 3.5555 7.9195 116.8077 66.4032 31.7183 178.3106 649 I 3.8736 7.8848 119.4416 64.2694 36.9154 178.0219 650 E 3.8492 8.0768 120.0770 59.5821 29.4696 179.0189 651 Q 4.0182 8.3819 118.2507 58.8457 28.6257 178.8324 652 I 3.5432 7.7775 120.8003 64.3114 37.2784 178.3787 653 F 3.5170 8.3368 118.2689 60.4800 38.5594 177.5984 654 L 3.9678 7.8204 117.1477 57.7124 41.6729 179.5886 655 K 3.8570 8.0944 118.2616 59.4254 31.7928 179.3752 656 A 3.8264 7.2223 119.3822 54.6688 18.1811 178.6720 657 C 4.2267 7.7405 114.3017 61.1937 28.3456 174.7971 658 D 4.7829 7.6970 118.5197 53.9560 42.6956 176.6077 659 E 4.7987 7.5461 118.3379 53.8408 30.5510 174.1440 660 P 4.4996 0.0000 0.0000 64.7392 32.1364 178.5013 661 H 4.0484 8.1085 116.6445 57.7678 29.9444 175.5004 662 W 4.8039 8.2071 117.8669 56.3689 29.6117 177.1794 663 S 4.4638 8.2180 118.3219 62.1424 62.2122 176.9476 664 S 3.3022 7.1556 116.1213 61.0468 62.6041 176.1997 665 M 3.9286 7.6042 121.2614 58.7590 32.2627 177.5531 666 Y 4.4028 8.0652 116.8536 61.2108 37.9714 178.7240 667 A 4.2681 8.4567 121.7828 55.4072 18.5044 179.7494 668 Q 4.0962 8.0978 116.1762 58.8010 28.7399 178.4966 669 L 4.0825 8.2611 121.7357 58.4346 42.0762 178.9126 670 C 4.4159 8.2866 116.4704 62.7103 28.0237 176.1779 671 G 3.7086 8.2254 107.4787 47.6523 0.0000 175.7188 672 K 4.0277 8.3857 121.9005 59.2697 31.7698 179.1107 673 V 3.5914 7.8096 118.6076 66.0500 31.2091 178.1804 674 V 3.6074 7.7529 116.9124 65.8942 31.4595 177.5931 675 K 4.2033 7.7451 117.9822 58.1982 32.0856 177.1863 676 E 4.6182 8.0921 116.5221 55.6677 30.0860 175.8264 677 L 4.0287 7.3473 120.0254 54.4151 42.8654 176.2668 678 N 4.3476 9.0392 123.2420 53.0417 38.7489 174.2437 679 P 4.3210 0.0000 0.0000 65.1529 31.5597 177.0796 680 D 4.5074 8.0592 116.4504 54.7711 40.8624 176.3620 681 I 3.8772 7.6415 122.9760 60.9140 37.5830 175.0408 682 T 4.7199 8.2658 115.1642 59.5942 71.4181 172.8965 683 D 4.9803 8.4571 124.7326 53.2786 43.5593 176.5842 684 E 4.5612 8.7256 122.7403 56.6003 29.2359 173.7985 685 T 4.5731 8.0161 106.6281 62.1712 70.1452 173.7059 *689 K 4.0576 7.8455 120.7760 56.7625 33.1021 174.7380 690 T 4.6605 7.8092 111.3586 60.0095 72.7545 176.1388 691 G 3.6503 7.6353 107.7310 46.3059 0.0000 174.5470 692 P 4.2743 0.0000 0.0000 65.5162 30.7019 178.0015 693 K 3.8317 8.1741 116.6426 59.3215 31.8085 178.9986 694 L 3.9375 7.5236 120.0870 58.1587 42.0415 179.1119 695 V 3.3780 7.4350 117.6671 65.6632 31.4565 177.7261 696 L 4.0410 8.1750 119.1236 58.1477 41.4202 178.9944 697 H 4.2334 8.0484 117.0354 59.3125 29.8165 176.7335 698 Y 4.0849 8.4929 118.6312 61.2180 37.7751 178.5038 699 L 4.0729 8.4537 120.0872 58.0547 41.8340 179.9079 700 V 3.5805 7.8911 117.5528 65.9162 31.4091 177.7912 701 A 3.9684 8.1758 120.7637 55.3646 18.2702 179.6499 702 R 3.5944 8.3167 117.2739 59.3803 29.8915 178.5480 703 C 4.3916 7.9291 116.7939 63.1739 28.1834 175.2759 704 H 4.1561 8.2845 117.4578 59.2644 28.0474 177.2376 705 A 4.0330 8.3239 122.3064 55.5978 18.0123 179.4805 706 E 4.0974 8.1507 115.8864 59.5136 29.8799 179.3110 707 F 4.4046 8.9819 121.1477 61.3813 39.2947 177.0968 708 D 4.5067 8.6321 117.9911 57.0228 40.6125 178.3325 709 K 4.0304 7.6609 117.5168 57.2285 32.2766 178.3646 710 G 3.6291 7.9433 108.4556 44.8431 0.0000 171.5683 711 W 4.5700 7.1579 114.1711 56.2907 30.0865 173.2711 712 T 4.5854 8.4376 108.3472 59.9217 70.5932 173.7766 713 D 4.4658 8.5956 122.9695 56.9990 41.6823 176.9795 714 K 4.0528 8.0833 124.8685 57.1498 31.7065 176.8927 715 L 4.7564 8.3511 126.9530 52.1132 44.1109 170.4802 716 P 4.3295 0.0000 0.0000 64.3833 29.4245 176.1317 *730 S 4.5449 9.2954 118.8326 58.9219 65.9218 177.7594 731 E 4.1503 8.1238 120.4922 61.3116 28.9527 183.2792 732 E 4.3608 8.8032 122.1419 60.9637 30.6771 180.0959 733 Y 4.3157 8.2578 120.2936 62.2586 38.8867 178.1863 *734 Y 4.0257 8.1173 121.0738 61.2548 36.8131 180.6962 735 A 4.3184 7.7279 119.9645 55.2691 18.6357 179.3817 736 A 3.8855 8.0916 118.7483 54.7382 18.3367 179.6548 737 A 3.8330 7.6225 119.7740 55.0981 18.4888 180.0198 738 S 4.0094 7.5674 112.2126 61.4792 62.9127 176.5986 739 A 4.0081 8.1808 123.8187 55.0017 18.0894 179.6705 740 K 3.5359 7.6573 117.0489 59.3246 32.1972 179.0912 741 R 3.7102 7.6774 119.0289 59.5767 30.0891 178.7798 742 R 4.3192 7.9456 119.4039 58.0372 30.0396 179.3709 743 G 2.4399 7.4535 105.8374 47.4415 0.0000 175.9681 744 L 3.8264 7.5894 122.3647 56.8754 41.5188 179.7787 745 G 3.5879 8.1041 106.2847 47.4327 0.0000 175.6476 746 L 4.0047 7.5712 122.3824 58.2964 41.8995 179.4766 747 V 3.8936 7.6325 112.1558 64.2328 31.2289 178.7210 748 R 3.7517 7.8413 118.2295 59.3425 30.0087 178.2676 749 F 4.5369 8.2219 120.5131 61.3568 39.2908 177.0594 750 I 3.6123 8.3832 120.1304 64.1540 36.8703 178.4781 751 G 3.4033 7.4244 106.0389 47.9610 0.0000 175.8116 752 F 4.4061 7.5962 120.2548 60.0220 38.7647 177.9200 753 L 3.9341 7.7866 118.9514 57.8114 41.4937 178.8170 754 Y 4.0166 8.4457 120.0224 60.6332 38.4836 178.0220 755 R 4.6923 7.9609 120.2545 58.6680 30.2745 177.5788 756 L 4.2915 7.3765 115.1621 54.0041 41.7776 176.3443 757 N 4.0768 7.5973 115.1417 54.4506 36.3646 175.0351 758 L 4.4503 8.0780 117.4941 55.1124 42.4016 176.7764 759 L 4.9092 7.4290 117.4832 52.9139 45.2819 175.9669 760 T 4.5396 8.2648 111.0624 60.4319 70.6727 176.0741 761 G 4.1996 9.0637 109.5034 47.2242 0.0000 175.7842 762 K 4.1374 8.3132 120.7573 60.3911 32.4865 178.6930 763 M 3.9961 7.9285 117.9260 58.2536 32.0704 177.9292 764 M 3.7428 7.9500 118.1720 58.2343 32.3699 177.9454 765 F 4.1108 8.9780 118.4468 60.7806 39.2356 177.1357 766 E 3.8921 8.2160 118.5712 59.3889 29.2247 178.5714 767 C 4.0353 7.6676 118.3218 62.5748 31.6714 175.5473 768 F 4.1012 7.9853 119.5117 60.3040 38.4675 177.4254 769 R 3.9621 8.8274 118.8809 59.7590 29.6829 178.5237 770 R 3.9212 8.2069 118.1714 59.4534 29.8646 178.4871 771 L 4.0933 7.8715 117.9562 57.9735 41.8292 179.0939 772 M 4.2337 8.5859 119.1742 58.3130 31.7185 178.6397 773 K 3.9219 7.8220 118.4703 59.1009 32.3768 177.2504 774 D 4.6773 7.4564 115.3496 54.0308 41.3274 176.0347 775 L 4.5449 8.0284 119.2031 55.5743 43.0127 176.5766 776 T 4.5267 7.8869 106.1482 62.1315 69.5671 174.4296 777 D 4.8601 7.6383 120.3141 54.7599 41.1484 176.7899 778 S 3.6537 7.9347 112.2756 58.4698 61.9080 170.9433 779 P 4.5357 0.0000 0.0000 63.1220 32.5437 177.5133 780 S 4.4744 9.0708 117.6432 58.0721 65.1929 175.4954 781 E 4.0518 8.5975 121.4762 59.3478 29.1831 179.4319 782 E 3.9638 8.1294 118.5520 59.4589 29.5171 179.3134 783 T 3.8547 7.7947 115.3547 66.6942 68.6316 176.5773 784 L 3.9567 7.7253 120.4550 57.8945 41.6422 179.2044 785 E 3.9150 8.3683 119.1496 59.4431 29.5266 178.8749 786 S 4.0377 7.9499 113.0489 61.3962 62.4233 176.3203 787 V 3.5559 7.9712 121.0391 65.7597 31.1929 178.0992 788 V 3.5796 7.8172 117.9767 66.2475 31.2390 177.7830 789 E 3.9549 8.1429 118.2361 59.3627 29.1868 179.2471 790 L 3.7921 8.0540 120.3397 58.1524 42.1618 179.1098 791 L 4.1419 8.2013 118.9799 57.8322 41.3598 179.0389 792 N 4.6889 8.4237 115.3302 55.5900 38.5415 176.7433 793 T 4.3154 7.2565 116.2184 64.6196 69.6816 175.8214 794 V 4.4007 7.9264 111.2704 60.1566 33.7019 177.6203 795 G 3.5590 7.6998 106.6980 47.9568 0.0000 174.9100 796 E 2.7311 6.4473 121.1860 58.2101 29.6491 178.6388 797 Q 3.9173 7.7539 118.9485 59.2163 28.9562 177.7721 798 F 4.8459 8.5866 121.8367 59.9265 39.4509 176.0567 799 E 4.2537 7.7116 118.7294 57.8428 29.3997 176.2550 800 T 4.3613 6.8485 106.8012 60.2194 69.6089 172.4979 801 D 4.4289 8.0671 125.5023 53.8890 44.3283 175.7186 802 S 4.5709 8.7371 122.3688 58.5911 60.8098 173.8427 *812 G 3.8248 8.0844 118.3449 46.2167 0.0000 174.4035 813 S 4.2521 7.7822 120.1265 62.7973 62.4037 177.9329 814 Q 4.9574 7.9660 120.9178 57.5113 28.5314 178.0573 815 L 4.1661 7.8268 122.2284 57.9210 42.2530 178.6613 816 L 4.1616 7.9206 118.3741 57.5142 41.6595 179.0511 817 D 4.4004 7.9692 118.9432 57.6638 40.9199 179.0061 818 S 4.2261 7.7626 114.7525 61.1948 62.8639 176.6104 819 L 3.9202 7.8873 123.1135 58.3826 41.8996 179.1926 820 F 4.1075 9.0584 118.0257 60.0541 38.8208 178.0364 821 G 3.6150 8.1725 105.6260 47.9092 0.0000 175.9150 822 I 3.7891 7.7413 122.1461 63.9058 37.0116 178.6702 823 L 3.9568 7.7546 119.7275 57.8366 41.4858 178.9245 824 D 4.3923 8.3259 119.0862 57.4947 40.3051 178.6531 825 N 4.2668 8.0771 117.0372 56.7691 38.9376 176.7549 826 I 3.8069 7.8119 119.1840 63.2557 37.7792 177.5709 827 I 3.9846 7.6137 120.0191 63.5767 37.3210 177.0031 828 Q 4.5551 7.7683 117.7912 56.7334 28.9462 176.7425 829 T 4.4835 7.5293 109.2451 61.9160 73.0214 179.5824 830 A 4.2256 7.4305 122.3883 51.7005 18.9134 177.8843 831 K 4.2642 8.2916 123.1537 54.6963 30.8522 175.7178 832 I 4.5802 7.4518 116.3272 57.6486 40.7180 177.0401 833 S 4.2589 8.3348 116.5731 58.6016 64.7063 175.6461 834 S 3.8080 8.5470 119.3174 61.6850 62.4399 177.0185 835 R 4.0935 7.9211 120.8039 59.6490 29.9164 178.5368 836 I 3.7270 7.5550 119.2268 64.2547 37.0873 178.2897 837 K 3.8323 7.9854 120.4388 59.4593 31.7882 178.9102 838 F 4.4560 7.9103 118.1655 60.4480 38.9385 177.7414 839 K 4.0252 8.0082 118.0263 59.5317 31.9697 179.4237 840 L 4.0171 8.1147 119.1869 57.9033 41.5492 179.6642 841 I 3.8078 7.8572 119.8060 64.3115 36.9862 178.2883 842 D 4.3803 8.4795 120.2427 57.4578 40.7815 178.9492 843 I 4.0494 7.7525 112.8370 63.4680 37.6072 178.2204 844 K 4.2318 8.0465 121.5340 59.5746 32.0893 178.4493 845 E 3.9196 8.2642 119.7162 58.9539 29.4782 178.3390 846 L 3.7799 8.2019 120.9881 57.8785 41.9309 178.9919 847 R 2.5100 7.2604 118.2466 58.8850 29.8231 177.8764 848 H 3.8737 7.5477 116.3112 59.8309 29.0257 176.2774 849 D 4.4458 8.0918 120.9817 56.5914 40.6358 178.9113 850 K 4.0600 7.7006 120.6268 57.1250 33.2098 176.4771 851 N 4.0022 7.6339 115.3541 53.4993 37.4636 173.8233 852 W 4.1640 8.0887 122.3782 57.4968 29.7261 174.8508 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 577 N 8.42 4.82 0.00 2.76 2.68 0.00 0.00 6.49 6.77 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 0.00 578 R 8.08 4.46 0.00 1.86 1.94 0.00 3.17 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 579 W 8.91 4.83 0.00 3.17 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 0.00 580 V 6.95 3.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.83 0.00 0.00 581 P 0.00 4.00 0.00 1.93 1.83 0.00 3.48 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.87 0.00 582 K 7.82 4.43 0.00 1.78 1.21 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *597 K 8.60 4.48 0.00 1.79 1.79 0.00 1.92 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 598 T 8.11 3.61 4.22 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 1.18 0.00 0.00 599 E 7.85 4.63 0.00 1.91 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 2.19 2.25 0.00 600 L 8.20 4.91 0.00 1.58 1.49 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 601 L 8.28 4.94 0.00 1.64 1.51 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 602 D 8.67 4.73 0.00 2.88 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 0.00 603 K 8.57 3.84 0.00 1.83 1.93 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.53 7.81 604 D 8.01 4.29 0.00 2.75 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 0.00 605 E 8.04 4.02 0.00 2.31 2.00 0.00 0.00 0.00 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 2.37 0.00 606 V 8.05 3.63 2.32 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 1.05 0.00 0.00 0.98 0.00 0.00 607 E 8.24 4.16 0.00 2.22 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 2.34 2.59 0.00 608 R 8.42 3.94 0.00 1.84 2.01 0.00 3.40 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.07 0.00 609 K 8.13 4.06 0.00 1.89 1.86 0.00 1.67 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 1.47 1.65 7.81 610 M 8.17 4.11 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.81 0.00 611 K 8.30 3.84 0.00 1.96 1.87 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 612 S 7.60 4.08 0.00 3.87 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 0.00 613 L 7.94 4.11 0.00 1.73 1.66 0.91 0.65 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 0.00 614 L 8.24 4.21 0.00 1.61 1.75 0.86 1.13 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 0.00 615 N 8.11 4.50 0.00 2.93 2.84 0.00 0.00 6.92 7.14 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 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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 0.00 0.00 625 I 7.63 3.87 1.80 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 1.52 0.84 0.85 0.00 0.00 626 S 8.39 3.99 0.00 3.60 3.16 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 0.00 627 S 7.64 4.22 0.00 4.09 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 0.00 628 E 7.74 4.02 0.00 2.19 2.02 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 2.31 2.57 0.00 629 I 7.87 3.82 1.95 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 1.38 1.21 0.91 0.00 0.00 630 L 7.80 4.00 0.00 1.91 1.84 0.91 1.14 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 0.00 631 A 7.63 4.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 632 I 7.39 3.95 2.03 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 1.47 0.86 0.93 0.00 0.00 633 A 7.98 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 634 N 8.07 4.63 0.00 2.84 2.82 0.00 0.00 6.87 7.14 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 0.00 635 I 7.57 3.92 2.06 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 1.63 1.15 1.03 0.00 0.00 636 S 7.69 4.54 0.00 4.01 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 0.00 637 V 7.21 3.49 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 -0.61 0.00 0.00 638 W 7.62 5.11 0.00 3.30 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 0.00 639 E 7.76 4.89 0.00 2.12 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 2.31 2.35 0.00 640 T 8.61 4.18 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 1.23 0.00 0.00 641 N 7.22 5.23 0.00 3.09 2.83 0.00 0.00 7.14 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 642 G 8.19 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 0.00 0.00 0.00 643 E 8.15 4.01 0.00 2.19 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 2.57 2.37 0.00 644 T 8.47 3.89 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 1.29 0.00 0.00 645 L 7.92 4.02 0.00 1.82 1.95 0.93 0.21 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 0.00 646 K 8.19 4.00 0.00 2.04 1.75 0.00 1.67 0.00 0.00 1.48 0.00 0.00 2.64 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.80 1.74 7.81 647 A 7.80 4.00 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 0.00 648 V 7.92 3.56 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 1.07 0.00 0.00 1.04 0.00 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0.00 797 Q 7.75 3.92 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 798 F 8.59 4.85 0.00 2.96 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 0.00 799 E 7.71 4.25 0.00 2.13 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 2.46 2.42 0.00 800 T 6.85 4.36 4.22 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 1.19 0.00 0.00 801 D 8.07 4.43 0.00 2.61 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 802 S 8.74 4.57 0.00 3.67 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *812 G 8.08 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 813 S 7.78 4.25 0.00 3.75 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 0.00 814 Q 7.97 4.96 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 815 L 7.83 4.17 0.00 1.96 1.93 1.06 0.50 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 0.00 816 L 7.92 4.16 0.00 1.99 1.93 1.24 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 817 D 7.97 4.40 0.00 2.97 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 0.00 818 S 7.76 4.23 0.00 4.16 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 0.00 819 L 7.89 3.92 0.00 1.75 1.86 0.90 0.88 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 0.00 820 F 9.06 4.11 0.00 3.22 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 0.00 821 G 8.17 3.62 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 0.00 0.00 0.00 822 I 7.74 3.79 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.17 0.91 0.00 0.00 823 L 7.75 3.96 0.00 1.83 1.63 0.43 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 824 D 8.33 4.39 0.00 2.85 2.74 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 0.00 825 N 8.08 4.27 0.00 2.87 2.99 0.00 0.00 6.87 7.55 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 0.00 826 I 7.81 3.81 1.99 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 1.50 1.17 0.96 0.00 0.00 827 I 7.61 3.98 2.01 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 1.50 0.89 0.89 0.00 0.00 828 Q 7.77 4.56 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 829 T 7.53 4.48 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 0.00 830 A 7.43 4.23 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 0.00 831 K 8.29 4.26 0.00 1.71 1.74 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 832 I 7.45 4.58 1.83 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 1.42 0.77 0.89 0.00 0.00 833 S 8.33 4.26 0.00 4.08 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 834 S 8.55 3.81 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 835 R 7.92 4.09 0.00 1.94 1.96 0.00 3.22 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 836 I 7.55 3.73 1.94 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 1.40 0.78 0.90 0.00 0.00 837 K 7.99 3.83 0.00 1.65 1.55 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.18 1.37 7.81 838 F 7.91 4.46 0.00 3.36 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 0.00 839 K 8.01 4.03 0.00 1.97 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.70 7.81 840 L 8.11 4.02 0.00 1.82 1.70 0.89 0.56 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 0.00 841 I 7.86 3.81 2.15 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 0.98 0.00 0.00 842 D 8.48 4.38 0.00 2.89 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 0.00 843 I 7.75 4.05 2.08 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 1.44 0.85 1.08 0.00 0.00 844 K 8.05 4.23 0.00 2.17 2.02 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.70 1.78 7.81 845 E 8.26 3.92 0.00 2.09 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 0.00 2.26 2.55 0.00 846 L 8.20 3.78 0.00 1.83 1.67 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 847 R 7.26 2.51 0.00 0.73 1.07 0.00 2.93 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.10 0.00 848 H 7.55 3.87 0.00 3.04 3.27 0.00 5.80 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 0.00 849 D 8.09 4.45 0.00 2.87 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 K 7.70 4.06 0.00 1.80 1.84 0.00 1.89 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 851 N 7.63 4.00 0.00 2.90 2.82 0.00 0.00 7.19 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 852 W 8.09 4.16 0.00 3.47 3.29 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 * Residues marked with a * may have inaccurate shift predictions.