NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 575 N 4.7786 8.2833 117.7891 52.2013 40.3223 176.4016 576 K 4.0080 7.9783 117.4231 58.8447 32.1826 177.6071 *577 L 4.4967 7.4654 120.1087 55.1510 41.3962 183.0358 578 E 4.3816 8.2466 117.7081 58.0456 30.3589 181.1655 579 D 4.4702 8.2230 116.7199 58.2713 41.1066 178.2988 580 V 3.7418 7.6637 118.0228 64.2255 32.6161 176.6346 581 V 4.2155 7.4450 121.7374 62.8356 31.7851 175.4595 582 I 4.5394 8.8341 129.6236 59.2761 39.5380 175.2107 583 D 4.4261 8.5157 125.4066 53.8578 42.1394 177.1159 584 R 3.9290 8.7599 126.7863 59.3825 30.2107 177.3417 585 N 4.6606 8.0448 112.3478 53.8073 37.8006 175.2705 586 L 4.3160 8.0477 119.1606 55.1250 42.3629 175.2994 587 L 5.1019 7.5781 121.1982 53.1513 44.1184 175.4055 588 I 4.5342 8.5282 126.6315 59.5306 39.8752 174.4046 589 L 4.9498 8.6420 126.8804 52.0698 43.4610 175.6485 590 G 4.1895 8.7388 110.1278 46.2126 0.0000 175.5604 591 K 4.4220 9.9180 125.7491 55.7266 33.2331 175.3949 592 I 4.1962 8.2167 123.4971 61.7443 37.1111 176.1929 593 L 4.3326 9.1347 127.0722 56.6133 42.5378 176.8507 594 G 3.9329 7.1439 104.4582 45.0304 0.0000 171.5366 595 E 4.4028 8.5222 119.9381 53.8702 31.2125 174.8823 *598 F 4.5493 8.5384 127.8668 56.7868 40.9208 175.5954 599 G 3.5242 6.7865 113.0478 46.2487 0.0000 171.1268 600 S 4.7928 7.6177 117.9279 56.9292 65.5721 173.8584 601 V 4.9348 8.1360 122.3123 60.2830 33.6998 174.5114 602 M 5.4109 9.0841 124.4789 53.0360 36.1068 174.8777 603 E 4.6294 8.9573 119.5587 56.7472 31.6129 175.7634 604 G 4.4102 8.6041 107.4944 45.9066 0.0000 171.1624 605 N 5.5127 8.8106 117.1231 51.1710 41.4833 173.7918 606 L 5.0762 8.8643 126.4963 53.0265 44.2121 175.2203 607 K 4.4365 8.8968 129.0847 56.5699 32.8395 176.1801 608 Q 4.6516 9.0942 126.4366 53.8578 31.2043 176.3051 609 E 4.0397 8.9577 121.5247 59.4202 29.6658 177.9432 610 D 4.3431 7.9854 117.0097 55.6370 41.4645 176.1187 611 G 4.0743 8.5075 107.2331 45.2627 0.0000 173.9045 612 T 4.3548 7.5668 108.9285 61.3655 70.7910 173.7946 613 S 5.2363 8.4763 118.3084 56.8780 65.2133 173.2204 614 L 4.7188 8.7170 126.2315 52.7663 44.7343 175.3079 615 K 4.5350 8.6387 127.3697 56.7888 33.3232 175.9086 616 V 5.2050 9.1013 120.1406 59.5600 36.0493 174.1288 617 A 5.3507 9.2398 123.7420 50.3162 21.9954 176.0178 618 V 4.6703 8.8876 121.2284 61.1948 34.5622 174.3563 619 K 4.9713 8.6085 128.4651 55.2615 33.5452 176.3831 620 T 4.9094 8.5729 116.5668 61.2880 70.7388 174.2689 621 M 4.1401 8.4260 127.0187 56.1415 39.1988 175.3073 *633 E 4.4629 9.6913 115.7034 55.4733 31.4844 175.7980 634 F 5.0876 8.1189 110.6638 55.8240 39.1580 176.5717 635 L 3.5717 8.0940 124.2663 58.1253 41.2708 178.7761 636 S 4.0158 9.4589 114.5877 61.4178 62.3208 175.9392 637 E 3.9452 8.0755 121.1770 59.2317 29.3968 178.4448 638 A 3.8700 7.3212 120.1851 54.9369 18.1206 179.4988 639 A 3.7911 8.1542 118.8477 55.1618 18.8023 179.0987 640 C 3.9941 8.1122 117.3102 63.0235 31.7167 175.8589 641 M 2.5500 8.0666 120.3884 57.6471 31.1866 178.6448 642 K 4.0429 7.7259 119.3898 59.3159 32.3977 177.8839 643 D 4.5571 7.4327 116.5454 54.3325 41.2877 176.8056 644 F 4.8414 6.9969 119.2068 57.9186 39.2838 175.7434 645 S 4.4869 9.3370 120.3236 56.9195 63.1713 171.6407 646 H 4.5347 7.8452 124.0684 53.0860 32.7299 172.5588 647 P 4.1989 0.0000 0.0000 65.4333 31.2496 176.6637 648 N 5.0411 8.0823 114.0370 51.8811 38.7533 173.6068 649 V 4.6540 7.5675 118.4191 60.6226 34.0909 175.2449 650 I 3.9743 8.8642 129.3005 61.3583 38.5768 175.1466 651 R 4.4918 8.5024 125.8040 55.2581 30.6863 175.5564 652 L 4.1809 8.5405 125.9044 54.9387 42.2893 176.3144 653 L 4.2449 9.3609 126.8434 54.8872 42.9086 177.2966 654 G 3.9304 6.8278 104.6874 45.4637 0.0000 170.6451 655 V 5.0101 7.9917 111.7651 59.7539 35.9239 174.9454 656 C 5.1019 9.0546 121.0846 58.3244 31.1496 173.1866 657 I 5.4620 8.2544 121.9184 58.0036 40.8609 173.8753 *665 P 4.0127 0.0000 0.0000 63.3721 31.0600 174.8078 666 K 4.4193 7.9164 126.3554 52.4148 33.4507 172.9101 667 P 5.1538 0.0000 0.0000 62.0291 32.9544 175.3222 668 M 5.2594 9.4619 122.4871 53.7436 36.5738 174.3793 669 V 4.7008 9.0182 116.9834 59.8780 34.4195 174.8215 670 I 4.8055 8.7404 126.6292 59.9082 38.8621 174.8455 671 L 5.1254 8.7697 126.5689 51.8972 45.8771 174.4599 672 P 4.6539 0.0000 0.0000 62.5361 32.0685 176.0678 673 F 4.2321 8.9801 126.9115 58.4699 40.2880 174.9355 674 M 4.3139 7.5850 125.8006 52.9043 32.0605 176.4095 675 K 3.8734 8.2793 124.0910 59.7320 32.7381 177.9072 676 Y 4.5465 7.6347 114.7951 57.9611 38.6768 176.7200 677 G 3.7941 7.9866 110.2295 44.9469 0.0000 172.8713 678 D 4.9618 8.1557 118.0270 52.8331 41.7434 176.8337 679 L 3.7803 8.7363 122.9650 58.2745 42.1629 178.6391 680 H 4.1371 8.2904 117.8278 59.8129 29.7299 177.0377 681 T 3.5103 8.1911 117.1944 66.5491 68.3275 175.7088 682 Y 4.0318 7.5857 121.4504 60.8449 38.5408 178.1707 683 L 3.9990 7.9726 118.4325 58.0633 42.2044 179.4240 684 L 4.1002 7.6545 118.2481 58.0267 41.4862 179.1615 685 Y 4.4572 8.1703 117.2951 60.9702 37.5414 178.4995 686 S 4.5663 7.5587 114.7642 59.6668 63.2476 175.5093 687 R 4.4029 7.4425 120.2534 55.2997 30.5679 175.7324 688 L 4.8781 7.4402 119.5271 52.4159 45.1058 176.1237 689 E 4.0315 8.4574 120.9915 57.8167 29.9536 177.9053 690 T 3.4177 8.6016 110.4826 61.8143 68.1181 172.0614 691 G 3.8723 7.1514 111.1505 43.3908 0.0000 171.5699 692 P 4.2610 0.0000 0.0000 63.0068 31.5270 176.6508 693 K 4.4656 8.1778 121.1441 53.8641 32.5265 176.9217 694 H 4.1057 8.5669 116.2048 57.7135 29.5339 174.8450 695 I 3.8519 8.1090 129.0607 60.3590 37.1508 175.0664 696 P 4.4828 0.0000 0.0000 62.1723 33.3485 176.5600 697 L 3.8967 8.5987 120.3247 58.8945 41.7165 179.5296 698 Q 3.9422 7.9277 117.1492 59.2786 28.7024 178.6411 699 T 3.5678 7.6794 116.2467 66.3120 68.1702 176.6150 700 L 4.0605 7.5885 120.6083 57.8832 41.6720 179.6215 701 L 4.0620 8.0876 118.9954 57.4755 41.5459 179.4069 702 K 3.9618 8.1009 119.8026 59.4372 32.1971 178.7991 703 F 4.5955 8.0839 118.2772 61.0999 38.8296 177.5855 704 M 4.3708 7.9761 118.0816 58.1380 31.7367 179.0428 705 V 3.6693 8.0431 118.5555 66.0840 31.6927 177.4351 706 D 4.4490 8.2280 118.6876 57.9152 40.6867 179.3316 707 I 3.7377 7.9034 119.2660 64.3853 37.0516 178.4770 708 A 3.5113 8.3037 121.6595 54.7190 18.1512 179.7469 709 L 3.9547 8.4344 118.1681 57.9638 41.6260 179.7305 710 G 3.5787 8.1673 105.8188 48.2817 0.0000 175.4596 711 M 3.6209 7.9469 120.9610 57.2707 31.7724 178.2846 712 E 3.8683 7.9803 119.8686 59.4194 29.7440 178.0388 713 Y 3.8538 7.7711 119.2655 60.9162 38.7015 178.3742 714 L 3.6351 7.3822 119.6228 57.6286 41.6736 179.4872 715 S 4.1123 8.3850 113.5502 61.4811 62.1310 175.9902 716 N 4.4207 8.1291 118.1364 55.3333 38.1858 176.5348 717 R 4.4435 6.9467 116.0149 54.7152 30.5496 175.5495 718 N 4.1568 7.7872 114.3080 54.0509 36.8284 173.8421 719 F 4.5172 8.2165 120.5944 56.4205 39.7487 175.3849 720 L 4.4408 7.9870 128.8072 55.0449 42.0525 176.7640 721 H 4.4423 10.0101 124.3011 59.4931 30.0296 177.6865 722 R 3.7062 9.5186 114.1188 56.9854 28.7631 176.4629 723 D 4.7159 7.8352 117.4937 52.4944 41.2118 174.8630 724 L 4.1645 8.1721 120.5567 54.2931 43.0718 175.0620 725 A 4.7920 8.4648 126.0865 51.3354 22.0530 176.2575 726 A 4.0983 9.3445 123.3386 55.3949 18.5041 180.7237 727 R 4.2017 7.8553 110.9217 58.7127 30.0130 176.8614 728 N 4.9180 8.2327 115.3932 53.0274 40.0950 173.7489 729 C 5.2507 7.9841 117.7575 58.3042 30.8373 172.9204 730 M 5.0366 9.3286 123.3411 53.5090 34.9830 174.7362 731 L 4.8918 8.2716 122.2240 53.4200 43.1219 177.3586 732 R 4.3075 8.8980 123.7480 55.4583 30.9760 177.4062 733 D 4.4900 8.5945 118.5592 56.9905 40.8249 177.2804 734 D 4.6696 8.1344 116.4266 53.0550 39.8216 176.6813 735 M 3.1946 8.3393 118.5057 56.1618 30.1104 176.9597 736 T 4.3050 8.1470 109.8276 61.5969 69.4771 173.4725 737 V 4.7750 9.1510 124.1497 61.9265 33.6493 174.3909 738 C 5.0889 9.0177 121.4333 56.1384 33.1641 173.3676 739 V 4.1987 8.7732 122.0321 63.2196 32.7019 174.7608 740 A 5.1690 8.7626 127.9813 50.5382 23.3969 175.5880 741 D 4.2100 8.4582 114.4424 55.3117 38.3000 174.5531 742 F 4.6222 6.3152 112.8651 56.4194 39.1189 174.6269 743 G 4.6517 9.1113 112.2483 45.3468 0.0000 174.8332 744 L 3.1478 7.4241 121.9165 55.3035 42.2379 174.0551 *763 P 4.3994 0.0000 0.0000 63.3457 32.6818 178.5397 764 V 3.5293 7.7954 120.8687 67.1165 32.1015 177.1407 765 K 4.2253 8.3114 115.2675 57.1579 32.1391 177.2019 766 W 4.7984 8.8224 118.1935 56.3339 29.5427 175.3920 767 I 4.4008 7.6336 120.2705 59.2187 38.1830 176.2897 768 A 2.0000 8.0080 127.0646 50.9846 20.1244 178.1270 769 I 3.4376 6.3971 116.1033 64.2330 37.5737 178.5278 770 E 4.1495 7.9143 119.2934 58.7935 29.0419 178.8441 771 S 4.4753 7.5625 115.9402 60.0884 63.1763 176.0224 772 L 3.9899 7.5043 121.1980 57.3866 41.4294 178.9355 773 A 3.5961 8.0537 120.0332 55.0824 18.7610 176.3459 774 D 4.8708 8.0113 116.6058 53.2944 44.4554 176.3251 775 R 4.0921 8.4692 116.5060 58.4173 29.8391 173.0154 776 V 3.6216 7.7097 116.2447 64.3527 31.4621 174.2555 777 Y 4.4375 8.5220 127.1537 56.5021 40.9553 173.5455 778 T 4.9481 7.8961 118.6893 59.3410 71.8751 174.7330 779 S 4.3640 8.5497 114.9293 61.6101 62.8317 176.1727 780 K 4.0527 8.0389 121.9270 58.8920 31.7470 179.3961 781 S 4.0949 7.5586 115.8679 61.3315 62.6008 176.0851 782 D 4.7567 8.1250 121.2237 57.5557 40.6660 178.8514 783 V 3.4118 7.9348 118.6592 65.5826 31.3365 177.6298 784 W 4.9389 8.5791 129.1891 60.1648 30.5345 177.8250 785 A 4.5434 8.7217 120.5662 55.2144 17.8104 179.2446 786 F 4.5123 9.2951 119.9577 61.5121 39.5693 177.3994 787 G 3.4971 8.3611 105.3390 47.9673 0.0000 175.7817 788 V 3.7761 8.0605 120.8211 65.9391 31.4224 178.0676 789 T 4.3262 8.4130 115.5948 67.2700 68.2900 176.3325 790 M 3.9746 8.2143 120.8235 58.1256 31.8221 178.6978 791 W 4.1947 8.2531 128.1087 60.3317 30.8839 177.9152 792 E 4.1565 8.8751 119.0384 59.5639 28.9643 179.4942 793 I 3.7332 8.1350 119.5123 64.4843 37.0502 178.2952 794 A 3.9987 8.1385 120.7707 55.0319 18.2704 178.8373 795 T 3.8982 7.5614 105.1638 60.7952 69.5495 174.7685 796 R 3.7020 8.9876 119.7323 58.1616 28.0683 176.8414 797 G 4.1370 8.5728 104.0914 45.3652 0.0000 174.8082 798 M 4.2361 7.3326 118.6693 55.5187 32.5071 176.4499 799 T 4.3146 8.4876 119.2529 62.6364 69.3531 173.0106 800 P 3.2502 0.0000 0.0000 63.9626 32.2135 175.6313 801 Y 3.3251 7.1614 117.6874 57.7732 34.6492 167.8760 802 P 4.2832 0.0000 0.0000 64.2207 32.2075 177.9919 803 G 3.8672 9.0197 109.8562 45.0295 0.0000 172.9821 804 V 4.1754 6.8990 119.5371 60.8423 33.2033 175.4494 805 Q 4.2724 9.1533 126.5793 55.1241 29.6393 176.7694 806 N 4.2718 8.7593 117.8089 56.8183 38.6787 177.1309 807 H 4.3648 8.0901 111.7157 57.1978 29.2149 176.0065 808 E 4.4481 7.6683 118.0393 56.6570 29.7254 177.5652 809 M 3.8586 7.5834 121.6560 58.7077 31.9148 177.8062 810 Y 4.1661 7.9295 119.1427 60.9484 39.2147 177.7383 811 D 4.1727 8.0778 119.2873 57.2918 40.4716 177.8470 812 Y 4.0592 8.1051 120.0637 60.9262 38.7126 178.4311 813 L 4.1782 8.0864 119.7885 57.5742 41.5157 179.1741 814 L 3.7619 7.8381 119.9217 57.9577 41.9612 177.8006 815 H 4.4499 7.7375 113.4193 55.5842 28.8099 176.1204 816 G 3.8841 8.0250 109.8186 45.4484 0.0000 173.7944 817 H 4.4265 7.0214 115.8684 55.3509 29.2471 174.6880 818 R 4.6628 8.0620 120.1521 53.7367 34.2404 174.8803 819 L 3.2480 7.2690 118.1646 55.3189 41.6526 177.9967 820 K 4.4323 8.3845 122.1010 55.5021 33.0465 176.6049 821 Q 3.6356 8.0140 122.7505 55.2367 28.9132 174.6562 822 P 4.2943 0.0000 0.0000 62.3510 32.1004 176.6581 823 E 3.8258 8.6891 121.2131 59.3966 29.5193 177.9047 824 D 4.8124 7.7910 114.7920 54.0326 41.4656 175.3380 825 C 4.4751 7.3710 114.3989 57.9887 29.2984 174.3978 826 L 4.0793 8.4118 123.5910 55.2131 42.9846 178.3296 827 D 4.4849 8.7930 122.4808 57.6342 40.3505 178.9618 828 E 3.9746 8.2176 118.5978 59.4076 29.4800 179.0883 829 L 4.0147 7.8624 119.7555 58.2576 42.3009 178.1457 830 Y 4.1796 8.0757 119.5061 60.7169 38.7951 177.5032 831 E 3.8163 8.6006 119.9794 59.6799 29.3525 179.6826 832 I 3.5549 6.9966 116.9719 64.5772 37.5669 177.7478 833 M 3.5879 7.6125 119.4872 58.6203 31.7765 178.2862 834 Y 2.9407 7.4532 119.5972 60.2902 38.3884 178.1646 835 S 4.1855 7.6610 114.7288 61.4469 62.8564 175.9187 836 C 4.1264 7.2185 119.5335 60.7442 27.5283 174.6593 837 W 3.7677 6.8593 119.4341 55.7442 29.0687 176.0264 838 R 4.0346 7.7802 117.6919 56.6450 30.1202 176.8089 839 T 4.0729 8.7625 119.4562 66.7728 68.8569 174.3206 840 D 4.5408 8.0242 122.2204 53.0006 41.7892 174.6272 841 P 4.3282 0.0000 0.0000 65.8256 31.5174 178.5979 842 L 4.1185 7.7197 116.9382 57.2980 41.6340 178.0868 843 D 4.5173 7.9220 117.8599 56.3238 41.1469 177.3974 844 R 4.2457 7.7341 117.3805 54.6927 30.4899 174.8170 845 P 4.4611 0.0000 0.0000 62.1758 32.5567 176.3867 846 T 4.1020 7.9354 109.6113 61.1076 71.0694 175.5273 847 F 4.1062 8.4058 120.0218 60.5032 38.7039 178.0767 848 S 4.3957 8.0901 113.7631 61.2165 62.7557 176.7125 849 V 3.5761 7.5315 121.6817 65.7806 31.3820 177.7473 850 L 4.1139 7.8310 118.7185 57.9881 41.5255 179.4001 851 R 3.9132 8.4052 118.7023 59.6605 29.9856 178.3008 852 L 4.1535 7.7065 119.9449 58.1830 42.0661 178.7592 853 Q 4.0268 8.3489 118.2780 59.0594 28.5621 178.9219 854 L 4.1317 8.2213 119.9191 57.4864 41.6473 179.2813 855 E 3.9696 8.2403 118.6893 59.5161 29.5863 179.6324 856 K 3.9983 8.2288 118.4877 58.9881 31.8332 179.2448 857 L 3.9220 7.7271 120.0444 58.1956 42.3665 178.4241 858 L 4.0668 8.1246 120.3992 58.2114 41.7354 178.5068 859 E 3.9822 8.2406 118.7933 59.0976 29.6860 178.3486 860 S 4.3522 7.6842 111.5098 59.6120 63.4379 174.1501 861 L 4.1872 7.5631 127.3979 55.1436 41.4779 176.4196 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 575 N 8.28 4.78 0.00 2.67 2.89 0.00 0.00 6.78 6.63 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 0.00 576 K 7.98 4.01 0.00 1.97 1.88 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.53 1.07 7.81 *577 L 7.47 4.50 0.00 1.85 1.54 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 578 E 8.25 4.38 0.00 1.89 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 2.21 2.14 0.00 579 D 8.22 4.47 0.00 2.62 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 0.00 580 V 7.66 3.74 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 0.92 0.00 0.00 0.81 0.00 0.00 581 V 7.44 4.22 2.20 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 0.76 0.00 0.00 0.92 0.00 0.00 582 I 8.83 4.54 1.87 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 1.10 0.73 0.91 0.00 0.00 583 D 8.52 4.43 0.00 2.75 2.53 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 0.00 0.00 0.00 0.00 584 R 8.76 3.93 0.00 1.85 1.92 0.00 3.39 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 585 N 8.04 4.66 0.00 2.87 2.91 0.00 0.00 6.00 7.79 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 0.00 586 L 8.05 4.32 0.00 1.86 1.72 0.91 0.21 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 0.00 587 L 7.58 5.10 0.00 1.64 1.68 0.95 0.77 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 0.00 588 I 8.53 4.53 1.85 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 1.21 1.01 0.88 0.00 0.00 589 L 8.64 4.95 0.00 1.50 1.55 0.91 0.86 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 0.00 590 G 8.74 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 591 K 9.92 4.42 0.00 1.67 1.73 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.49 7.81 592 I 8.22 4.20 1.87 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 1.33 0.73 1.00 0.00 0.00 593 L 9.13 4.33 0.00 1.73 1.78 1.13 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 594 G 7.14 3.93 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 0.00 798 M 7.33 4.24 0.00 2.20 1.79 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 799 T 8.49 4.31 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 800 P 0.00 3.25 0.00 1.59 0.98 0.00 3.55 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.63 0.00 801 Y 7.16 3.33 0.00 2.82 2.57 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 0.00 0.00 0.00 0.00 802 P 0.00 4.28 0.00 2.21 2.13 0.00 3.77 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 803 G 9.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 804 V 6.90 4.18 1.67 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 0.20 0.00 0.00 0.09 0.00 0.00 805 Q 9.15 4.27 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 806 N 8.76 4.27 0.00 2.77 2.89 0.00 0.00 6.63 8.16 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 0.00 807 H 8.09 4.36 0.00 3.23 3.43 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 808 E 7.67 4.45 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 809 M 7.58 3.86 0.00 1.84 2.23 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 810 Y 7.93 4.17 0.00 2.93 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 0.00 811 D 8.08 4.17 0.00 2.73 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 0.00 812 Y 8.11 4.06 0.00 3.08 3.01 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 0.00 813 L 8.09 4.18 0.00 1.70 1.77 0.92 0.70 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 0.00 814 L 7.84 3.76 0.00 1.15 1.57 0.62 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 815 H 7.74 4.45 0.00 3.19 3.20 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 816 G 8.02 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 817 H 7.02 4.43 0.00 2.02 2.61 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 818 R 8.06 4.66 0.00 1.83 1.46 0.00 2.98 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 1.45 1.20 0.00 819 L 7.27 3.25 0.00 0.45 0.45 -0.34 -1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 820 K 8.38 4.43 0.00 1.89 1.79 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.51 7.81 821 Q 8.01 3.64 0.00 0.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 822 P 0.00 4.29 0.00 2.08 1.68 0.00 3.68 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.49 0.00 823 E 8.69 3.83 0.00 1.85 1.94 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 2.27 2.34 0.00 824 D 7.79 4.81 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.37 4.48 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 826 L 8.41 4.08 0.00 1.70 1.61 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 827 D 8.79 4.48 0.00 2.78 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 0.00 828 E 8.22 3.97 0.00 2.06 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 2.44 0.00 829 L 7.86 4.01 0.00 1.78 1.90 0.94 0.86 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 0.00 830 Y 8.08 4.18 0.00 3.15 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 0.00 831 E 8.60 3.82 0.00 2.20 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 2.29 2.58 0.00 832 I 7.00 3.55 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 1.50 0.61 0.92 0.00 0.00 833 M 7.61 3.59 0.00 1.52 1.97 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.50 0.00 834 Y 7.45 2.94 0.00 2.26 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 0.00 835 S 7.66 4.19 0.00 4.02 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 0.00 836 C 7.22 4.13 0.00 2.12 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 0.00 837 W 6.86 3.77 0.00 2.57 1.74 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 0.00 838 R 7.78 4.03 0.00 1.80 1.89 0.00 3.36 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 839 T 8.76 4.07 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 1.25 0.00 0.00 840 D 8.02 4.54 0.00 2.70 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 0.00 841 P 0.00 4.33 0.00 2.21 2.10 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 842 L 7.72 4.12 0.00 1.60 1.73 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 843 D 7.92 4.52 0.00 2.86 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 0.00 844 R 7.73 4.25 0.00 1.93 1.78 0.00 3.29 0.00 0.00 3.50 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 845 P 0.00 4.46 0.00 2.09 1.99 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 846 T 7.94 4.10 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 1.18 0.00 0.00 847 F 8.41 4.11 0.00 3.03 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 848 S 8.09 4.40 0.00 4.10 4.14 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 0.00 849 V 7.53 3.58 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 1.07 0.00 0.00 0.91 0.00 0.00 850 L 7.83 4.11 0.00 1.86 1.83 0.71 0.68 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 0.00 851 R 8.41 3.91 0.00 1.95 2.10 0.00 3.38 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 852 L 7.71 4.15 0.00 1.77 1.79 0.93 0.82 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 0.00 853 Q 8.35 4.03 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 854 L 8.22 4.13 0.00 1.92 1.79 1.26 0.89 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 0.00 855 E 8.24 3.97 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 2.35 2.51 0.00 856 K 8.23 4.00 0.00 1.99 1.86 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.31 7.81 857 L 7.73 3.92 0.00 1.73 1.85 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 858 L 8.12 4.07 0.00 1.83 1.91 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 859 E 8.24 3.98 0.00 2.20 2.15 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 2.32 2.32 0.00 860 S 7.68 4.35 0.00 4.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 861 L 7.56 4.19 0.00 1.79 1.61 0.91 1.16 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 * Residues marked with a * may have inaccurate shift predictions.