NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 669 S 4.3507 8.3344 115.2911 57.6026 62.8519 173.1678 670 Q 3.8119 8.6889 129.7966 53.8489 29.1807 174.0037 671 P 4.6157 0.0000 0.0000 62.9905 33.5065 175.3043 672 I 4.4105 8.1999 117.0346 62.5082 40.4941 177.6386 673 F 4.0820 8.4767 121.3690 61.4372 39.1775 176.8391 674 L 3.8408 7.9692 119.2943 57.9256 41.9671 178.1379 675 N 4.2653 8.2055 116.1567 56.4427 38.5068 177.2454 676 V 3.4888 7.5779 119.0655 65.9868 31.4768 177.7102 677 L 3.9113 7.1821 117.2774 58.1607 41.2778 179.3045 678 E 4.1110 8.2522 117.8579 59.3282 29.1627 179.2663 679 A 4.0658 7.9564 120.1201 54.6441 18.5827 178.8105 680 I 4.2291 7.5867 108.4393 60.0308 38.4577 175.8006 681 E 4.0640 7.3922 122.2636 55.7256 29.9267 174.7961 682 P 4.4034 0.0000 0.0000 62.6091 32.2074 177.2245 683 G 3.9418 8.1732 110.4079 44.5562 0.0000 173.0428 684 V 3.6655 8.2492 119.2080 62.9165 32.0115 176.3452 685 V 4.3624 8.1748 125.5982 61.2220 33.8730 174.4787 686 C 4.6761 8.5486 124.2126 58.6110 29.5557 173.6297 687 A 4.0810 9.2708 126.1129 53.0859 18.5114 179.0591 688 G 3.8650 9.0837 103.2729 46.0310 0.0000 172.8688 689 H 4.2047 8.1355 118.8236 55.5263 30.4304 174.7656 690 D 4.4893 8.1895 126.3321 53.1791 39.9658 176.0322 691 N 4.7062 8.4827 121.5882 54.3482 38.5008 176.0301 692 N 4.5792 8.1647 117.3808 54.9637 39.2608 176.0654 693 Q 4.2191 7.4559 115.5368 54.8021 29.4483 174.2874 694 P 4.4089 0.0000 0.0000 62.8042 31.8927 176.9722 695 D 4.6164 8.5540 121.0470 53.7183 39.5099 176.5957 696 S 4.8590 7.9512 118.8246 55.7914 67.0559 174.4494 697 F 4.2290 8.7733 124.0379 61.8005 39.0455 177.2876 698 A 3.7351 8.0553 119.3144 54.9759 18.2500 179.3569 699 A 3.8881 7.9605 119.2853 55.1780 18.5114 179.9273 700 L 3.8290 7.9174 117.5175 58.0596 41.6798 179.8614 701 L 3.8820 7.7767 118.9189 57.6200 41.4535 179.7318 702 S 3.8840 7.8270 115.3151 61.5932 62.7054 176.8945 703 S 4.1525 7.9949 117.8729 61.2798 62.4578 176.7328 704 L 3.7792 7.7935 121.9193 57.7097 41.3152 179.1989 705 N 4.1232 8.0982 116.6373 56.0961 38.2705 177.1116 706 E 3.8433 8.0689 120.8004 59.1036 29.7570 178.6091 707 L 4.0012 8.0702 120.6183 58.0140 42.0312 179.1519 708 G 3.5828 8.2506 105.9458 47.6781 0.0000 175.2954 709 E 3.7840 7.9763 121.7486 59.0859 29.2936 179.1953 710 R 3.9385 8.1752 118.3128 59.4233 30.0615 179.1445 711 Q 4.1471 8.7028 118.1868 58.6607 28.6134 178.4744 712 L 3.8841 8.0667 121.9607 57.9387 42.0323 178.9758 713 V 3.5588 7.4894 118.3355 66.6348 31.3234 177.8538 714 H 4.2794 7.9594 114.4330 58.5137 28.4460 177.9790 715 V 3.6895 8.1327 120.5226 65.9663 31.3888 178.1179 716 V 3.6104 7.9461 117.9023 66.2098 31.1746 178.1729 717 K 4.0273 7.8627 116.6597 59.0061 32.1417 178.9171 718 W 4.2757 8.6889 128.8204 60.5513 30.7198 177.7083 719 A 2.9254 8.4091 120.9689 54.9412 17.4393 179.7892 720 K 4.1160 7.7234 115.3931 58.9042 32.1794 178.4241 721 A 4.3647 7.4176 118.5783 51.3074 19.7759 177.3786 722 L 3.9997 7.1013 118.9718 53.2529 42.3937 174.9996 723 P 4.5171 0.0000 0.0000 64.2526 31.8066 177.3642 724 G 4.2621 9.2056 110.4910 45.9205 0.0000 175.2019 725 F 4.3411 8.3627 122.3223 61.4265 39.4736 177.2427 726 R 4.0987 8.1105 117.3881 58.4346 30.0150 176.9485 727 N 4.3833 7.8887 113.5867 53.8081 38.5880 175.1182 728 L 4.5658 7.4307 118.9820 53.3785 43.0668 176.1514 729 H 4.0217 8.7671 121.0554 56.5070 30.5965 176.0589 730 V 3.5795 8.6115 127.0222 65.6520 30.8565 178.3952 731 D 4.4313 8.3624 118.8812 56.9411 40.6046 178.3368 732 D 4.4561 8.3953 119.6729 57.0191 40.5622 178.8162 733 Q 3.8679 7.8459 118.3511 59.1071 28.7721 178.4028 734 M 4.1091 8.1464 119.4227 58.2928 31.9854 178.4769 735 A 3.5712 7.9528 120.7211 55.4259 18.6289 180.0954 736 V 3.7605 8.0775 110.6714 64.6034 31.4690 179.0840 737 I 3.8691 7.6849 119.3796 64.6747 36.8251 178.5459 738 Q 4.2304 8.2744 117.8809 59.0907 28.5056 178.0332 739 Y 4.6490 7.9348 117.2819 59.6914 38.5048 176.9521 740 S 4.6517 8.2436 113.0907 57.7529 63.8024 175.8361 741 W 4.3288 7.9830 122.0636 60.1509 27.6652 177.7276 742 M 3.7144 6.7398 118.4626 58.1939 31.6266 178.2186 743 G 3.5918 7.7848 105.1865 47.6942 0.0000 175.3339 744 L 4.0092 7.9999 121.3754 58.0207 41.7468 179.6694 745 M 4.1848 8.5775 118.9611 58.3035 31.8069 179.0997 746 V 3.6973 8.1179 118.6240 65.8062 31.7439 177.8788 747 F 4.3496 8.5425 120.2173 61.4370 39.3390 176.8964 748 A 4.2599 8.3619 120.4173 55.6297 18.1167 179.3391 749 M 4.1655 8.4414 116.7946 58.5872 32.2624 178.7227 750 G 3.6608 8.4733 106.3245 47.2588 0.0000 175.6337 751 W 3.2955 7.9451 130.6027 60.0934 30.5130 178.3277 752 R 3.5776 7.8893 118.0165 59.2808 29.4805 179.2313 753 S 4.0052 8.2219 115.2176 61.3714 62.7855 176.5778 754 F 4.2607 8.2964 124.8468 61.0265 38.9399 177.3618 755 T 2.9801 6.9436 107.9084 63.8551 68.6257 175.7550 756 N 4.3723 7.6001 118.1734 54.3255 39.1167 176.3911 757 V 4.3186 6.6616 110.6714 60.3036 33.6805 174.6015 758 N 4.3322 8.7003 114.9989 53.7018 37.1930 174.4288 759 S 3.7664 8.3185 108.4785 59.1507 61.3592 174.6005 760 R 4.0141 8.0173 121.5296 58.7135 30.0313 176.2066 761 M 4.9020 7.4895 114.6932 53.5506 36.9428 174.8127 762 L 4.0610 8.2758 120.0040 53.6152 42.7161 176.3810 763 Y 4.5327 8.8218 130.0235 56.0426 36.4540 175.8112 764 F 4.1342 7.7870 121.4810 59.9026 39.8738 175.4833 765 A 4.6165 7.5911 120.2273 50.4252 22.2246 175.2272 766 P 4.0130 0.0000 0.0000 64.5091 31.4348 177.4775 767 D 4.8206 7.8588 114.7845 52.8817 39.9525 177.1375 768 L 4.6916 7.8881 122.6868 54.3931 43.3133 172.6692 769 V 4.6817 7.7814 120.3322 60.8099 33.7372 174.6015 770 F 4.9127 9.2387 127.5315 56.8348 40.6856 175.4637 771 N 5.2491 8.5167 121.5236 51.5502 40.3518 175.1954 772 E 4.0480 9.0606 117.1937 60.1572 29.3688 178.6570 773 Y 4.2079 8.1889 118.6944 61.1397 38.7374 178.4629 774 R 3.5464 8.6623 118.9688 59.1865 29.7572 178.8551 775 M 4.2438 8.0164 117.9170 58.7401 32.2750 178.0596 776 H 4.4617 8.4331 118.2726 59.2971 29.9212 177.3224 777 K 3.8920 7.8911 120.4857 59.2179 32.0279 178.4525 778 S 4.4454 8.2472 113.4500 59.1293 63.0144 175.0319 779 R 3.9922 7.9257 120.1081 57.0435 28.5770 176.1887 780 M 5.0630 7.7427 113.3918 53.1182 31.3447 176.6328 781 Y 4.0206 8.1721 122.0328 61.7785 39.5280 176.3620 782 S 4.2617 8.3543 115.6217 62.0330 62.8924 176.6747 783 Q 4.0190 8.0615 119.9169 59.1946 28.4057 178.5198 784 C 4.0867 8.2379 117.8405 62.5979 28.0184 176.2892 785 V 3.3665 7.8394 120.0284 66.1722 31.1506 178.2701 786 R 3.8912 7.9877 117.6182 59.6524 29.8664 179.0315 787 M 4.0974 8.2128 118.5480 58.1781 31.9075 178.7997 788 R 3.8224 8.0452 119.2572 59.5374 30.2502 178.1992 789 H 4.5520 8.3077 117.7753 58.1438 28.4901 177.2396 790 L 3.7804 7.6281 120.9631 58.3623 42.1478 178.5338 791 S 4.4589 7.9782 112.7236 61.8103 61.9773 176.2693 792 Q 3.3997 7.7700 120.3791 58.5461 28.0985 178.3878 793 E 4.0022 7.3997 119.5808 59.5306 29.4352 179.3701 794 F 4.1256 7.2512 117.4181 60.1647 38.7672 178.0452 795 G 3.2158 6.8106 104.6694 47.4026 0.0000 175.5841 796 W 4.5152 7.3680 120.6828 59.4211 29.1193 177.6185 797 L 4.2463 8.1489 115.5096 54.8428 41.7351 176.4723 798 Q 3.5195 7.7899 116.7442 56.5801 26.3884 174.6115 799 I 4.0956 7.8606 118.4943 61.8496 37.9873 177.7097 800 T 4.4301 9.0359 116.6837 60.8950 70.8912 173.9047 801 P 4.0881 0.0000 0.0000 65.8608 31.3653 179.0770 802 Q 4.0326 8.1058 116.4844 59.0807 28.7471 178.4961 803 E 4.0959 8.2893 119.5353 59.1791 29.4346 179.1767 804 F 4.2096 8.3295 120.8648 61.2433 39.3558 177.2553 805 L 3.5796 7.9402 118.6055 57.9099 41.4200 179.3218 806 C 4.4051 8.1387 116.6965 63.0813 28.1232 176.1685 807 M 4.0662 8.2148 120.3200 58.2076 31.3641 178.6576 808 K 3.6497 7.8269 118.3932 59.4254 32.6472 178.2794 809 A 4.4992 8.2398 121.0433 55.3178 18.3402 179.4015 810 L 4.2190 8.2248 118.7659 58.1620 42.2220 179.1111 811 L 3.9965 7.7001 120.3047 56.8795 41.2024 179.1083 812 L 3.9772 7.5206 119.1929 56.9073 41.8829 177.8231 813 F 5.3287 7.5850 116.6489 57.4859 40.0075 176.0372 814 S 4.7844 7.8251 112.1543 58.2132 64.4193 173.5821 815 I 5.0409 7.6705 120.5877 59.5794 40.6615 173.8752 816 I 4.7380 8.3939 121.9054 58.4287 41.6016 172.8103 817 P 4.6095 0.0000 0.0000 62.5117 31.7583 177.7701 818 V 3.5349 8.4252 120.4441 65.8852 31.5187 176.9198 819 D 4.3558 7.9467 117.3047 54.5770 40.9808 176.9482 820 G 3.8277 7.8781 105.5687 45.1570 0.0000 172.6539 821 L 4.4884 8.2922 119.6680 52.7257 43.4069 177.6658 822 K 4.0256 8.9967 118.7180 59.3193 32.5205 177.6807 823 N 4.9877 8.6083 117.4359 50.9613 38.6356 173.8659 824 Q 4.0279 8.2441 123.5745 59.1098 29.6069 177.4643 825 K 3.8743 8.2024 118.7001 59.8504 32.0695 178.8050 826 F 4.2339 8.5142 120.3213 61.0654 39.3394 176.7171 827 F 3.6585 8.1137 119.8681 61.5185 39.1943 176.8229 828 D 4.3304 8.6686 118.6900 57.3463 40.5933 178.5787 829 E 3.7860 7.8731 119.4303 58.8822 29.6152 178.6261 830 L 3.5191 7.2461 120.5668 57.8125 42.0634 178.6634 831 R 3.2774 7.3092 118.8542 59.4873 29.8933 177.6593 832 M 3.9073 7.7146 117.7321 59.1575 32.1212 178.0185 833 N 4.2386 8.0606 116.0565 56.4920 38.6072 177.0470 834 Y 3.6622 8.1199 118.1747 60.5813 37.8452 178.2274 835 I 3.8960 7.8499 121.0789 64.4029 37.1892 178.5688 836 K 3.9395 8.0603 119.3322 59.4245 31.5925 179.2928 837 E 3.7607 7.6863 118.0970 58.9970 29.5465 178.8161 838 L 4.1720 7.9209 120.3922 58.3844 42.3295 178.2962 839 D 4.4789 8.5052 118.2581 57.8398 40.7953 178.7204 840 R 4.0532 8.0931 117.7314 58.1668 30.0892 178.0126 841 I 4.3962 7.2630 109.7246 59.3570 38.3667 175.7448 842 I 3.7730 6.9106 113.6535 61.4763 37.5770 175.8724 843 A 4.1955 9.2645 128.0600 52.5668 17.2319 173.8540 844 C 4.8843 8.0380 114.7353 55.8860 44.4822 172.5165 845 K 4.2993 7.6421 117.8806 55.2649 34.6543 176.3582 *847 K 4.2570 8.5526 119.3866 56.8206 33.8141 176.6635 848 N 4.9528 7.3954 115.7154 50.4259 39.1027 171.9902 849 P 4.2204 0.0000 0.0000 65.4483 31.6228 177.7676 850 T 3.8888 7.9832 114.3526 66.5749 68.3419 176.3595 851 S 4.1781 8.5866 116.2762 61.8190 62.8232 176.0509 852 C 4.3284 7.8316 119.6646 59.6658 35.2625 175.9383 853 S 4.0879 8.1069 114.7768 61.4355 61.9776 176.2378 854 R 3.9710 8.4886 121.8035 59.3603 29.7732 178.4158 855 R 4.2108 8.2598 120.0107 58.9877 30.0840 178.2119 856 F 4.0331 8.5358 120.5518 61.2935 39.3737 176.2482 857 Y 4.1496 8.1667 119.0146 60.9679 38.1638 178.1658 858 Q 3.7728 8.2111 118.6952 59.0200 28.7723 179.1036 859 L 3.9993 8.0078 120.2576 57.9103 41.6386 179.6776 860 T 3.3280 7.4293 109.8336 64.5134 68.5890 176.7570 861 K 3.8687 7.7882 121.3142 58.8340 31.7404 179.0785 862 L 3.9223 7.6733 119.8469 58.0872 42.3664 178.5928 863 L 4.0581 8.0533 118.9967 58.1469 41.6463 179.0465 864 D 4.6358 8.3687 118.8591 57.8019 39.3730 179.2578 865 S 4.3590 8.1198 113.2428 60.6670 62.9781 176.5791 866 V 3.9607 7.8006 122.8219 65.9198 31.1455 177.8981 867 Q 3.9464 8.1227 117.9563 58.6258 28.7406 176.9901 868 P 4.3218 0.0000 0.0000 65.3987 31.3548 178.8755 869 I 3.7050 7.3648 118.2179 64.3619 37.0682 178.1021 870 A 3.8668 8.0408 121.6084 55.2332 18.0606 179.6278 871 R 3.9145 8.2235 117.1867 59.6586 30.0692 178.6418 872 E 4.0466 8.1352 117.9473 59.4356 29.4384 179.3834 873 L 4.0870 7.9505 119.0070 57.9579 41.6548 179.1544 874 H 4.3364 8.6194 116.7173 58.9286 28.6664 177.5930 875 Q 4.0718 8.4582 121.4069 59.1430 28.8805 177.9347 876 F 4.0784 8.6344 121.8474 61.8427 39.4292 177.0605 877 T 4.1752 8.8544 113.0877 65.0098 67.2489 175.9083 878 F 4.1731 8.4761 122.8310 61.5007 39.5033 176.9086 879 D 4.0934 8.2440 118.5276 57.0661 40.3275 178.5526 880 L 3.9045 7.7720 120.2042 57.9855 42.5324 178.4041 881 L 3.2782 7.8991 120.4855 57.8759 41.6542 178.9332 882 I 3.5181 6.9450 118.5718 63.5533 37.2796 177.7786 883 K 4.5112 7.4427 117.7431 56.8050 33.1370 178.5166 884 S 4.1867 7.6799 117.8541 62.8265 62.6117 175.8641 885 H 4.2799 8.0755 118.2533 58.6579 28.5125 177.1606 886 M 4.3076 8.0526 119.2167 57.2470 32.0595 177.9018 887 V 4.2661 7.5708 109.8053 59.8758 32.7323 175.7699 888 S 3.6989 8.1065 113.1976 59.8741 60.1745 172.6534 889 V 4.2257 7.7867 118.8959 61.0071 32.9171 174.5152 890 D 4.6868 8.2615 127.4356 53.7460 41.5338 175.8680 891 F 4.5029 8.5264 121.5586 54.6325 41.4478 174.3517 892 P 4.5071 0.0000 0.0000 61.7861 33.2073 177.1505 893 E 3.9522 8.6803 118.0349 60.2043 29.2973 179.1562 894 M 3.9600 8.1884 119.5972 58.1642 32.2286 178.0258 895 M 3.8845 8.3227 118.5548 58.3413 32.0555 178.2872 896 A 3.9618 8.3776 121.2865 55.3457 18.5968 179.3706 897 E 3.9091 8.1559 117.3498 59.6923 29.8307 179.1344 898 I 3.8367 7.8715 119.8244 64.4821 36.9249 178.5038 899 I 4.0871 8.1739 120.2274 63.4221 37.0641 177.5555 900 S 4.7162 7.7802 113.4215 58.6825 63.6586 174.8928 901 V 4.2335 7.5229 118.8036 64.7176 33.2558 177.0478 902 Q 4.3551 7.9369 116.8701 58.8668 28.9891 178.3790 903 V 3.5876 8.0695 119.2774 65.6471 31.4693 176.2688 904 P 3.9716 0.0000 0.0000 65.3382 31.1012 178.6899 905 K 3.9467 7.9643 117.4292 59.1613 31.8648 179.5577 906 I 3.9112 7.4107 121.1369 63.8552 36.9824 178.3239 907 L 4.0164 7.6647 118.6225 57.0302 41.4744 178.7070 908 S 4.4578 8.0779 112.2898 58.1498 63.5122 175.0975 909 G 3.9016 7.7217 110.9623 45.6559 0.0000 174.8501 910 K 4.0407 8.0447 120.7287 57.9729 32.4483 176.9278 911 V 4.6062 7.4343 118.4095 60.7496 34.3732 174.6996 912 K 4.6372 8.5774 125.8339 53.7299 36.3652 174.2165 913 P 4.5559 0.0000 0.0000 62.7188 32.3090 176.2615 914 I 4.1220 8.4220 124.3649 60.3158 37.4910 175.2445 915 Y 4.6046 8.3012 125.0513 56.6859 39.3744 176.3413 916 F 4.3262 9.5967 123.3663 60.5957 39.2112 175.7010 917 H 5.0756 8.7016 115.8429 54.3114 31.0616 174.8214 918 T 4.1438 8.4203 117.1348 63.8865 68.4817 174.9807 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 669 S 8.33 4.35 0.00 3.85 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 0.00 670 Q 8.69 3.81 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 671 P 0.00 4.62 0.00 2.26 2.07 0.00 3.78 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 2.01 2.01 0.00 672 I 8.20 4.41 1.92 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 1.32 1.03 0.95 0.00 0.00 673 F 8.48 4.08 0.00 3.14 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 674 L 7.97 3.84 0.00 1.86 1.66 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 675 N 8.21 4.27 0.00 2.97 2.86 0.00 0.00 6.78 7.68 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 0.00 676 V 7.58 3.49 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 0.94 0.00 0.00 0.94 0.00 0.00 677 L 7.18 3.91 0.00 1.49 1.67 0.79 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 678 E 8.25 4.11 0.00 2.02 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 2.45 0.00 679 A 7.96 4.07 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 0.00 680 I 7.59 4.23 1.97 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.96 0.94 0.00 0.00 681 E 7.39 4.06 0.00 2.16 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 2.36 2.34 0.00 682 P 0.00 4.40 0.00 1.98 1.93 0.00 3.48 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 1.71 2.05 0.00 683 G 8.17 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 684 V 8.25 3.67 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 0.84 0.00 0.00 0.94 0.00 0.00 685 V 8.17 4.36 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 0.91 0.00 0.00 0.76 0.00 0.00 686 C 8.55 4.68 0.00 3.00 3.02 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 0.00 0.00 0.00 687 A 9.27 4.08 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 0.00 688 G 9.08 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 855 R 8.26 4.21 0.00 2.18 2.19 0.00 3.46 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 856 F 8.54 4.03 0.00 3.20 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 0.00 857 Y 8.17 4.15 0.00 3.15 3.22 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 0.00 858 Q 8.21 3.77 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 859 L 8.01 4.00 0.00 1.40 1.60 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 860 T 7.43 3.33 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.59 0.00 0.00 861 K 7.79 3.87 0.00 1.69 1.66 0.00 1.46 0.00 0.00 1.33 0.00 0.00 2.40 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.57 0.64 7.81 862 L 7.67 3.92 0.00 1.67 1.89 0.79 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 863 L 8.05 4.06 0.00 2.00 1.77 1.02 1.00 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 0.00 864 D 8.37 4.64 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 S 8.12 4.36 0.00 4.12 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 0.00 866 V 7.80 3.96 2.19 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 1.05 0.00 0.00 1.10 0.00 0.00 867 Q 8.12 3.95 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 868 P 0.00 4.32 0.00 2.21 2.15 0.00 3.83 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 869 I 7.36 3.70 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 1.72 1.25 0.93 0.00 0.00 870 A 8.04 3.87 1.23 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 0.00 0.00 0.00 871 R 8.22 3.91 0.00 2.03 2.16 0.00 3.16 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 1.66 1.76 0.00 872 E 8.14 4.05 0.00 2.24 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 2.38 2.66 0.00 873 L 7.95 4.09 0.00 1.80 1.73 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 874 H 8.62 4.34 0.00 3.37 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 875 Q 8.46 4.07 0.00 2.25 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 876 F 8.63 4.08 0.00 3.31 3.28 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 0.00 877 T 8.85 4.18 4.60 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 1.63 0.00 0.00 878 F 8.48 4.17 0.00 3.31 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 879 D 8.24 4.09 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 0.00 880 L 7.77 3.90 0.00 1.56 2.06 1.18 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 881 L 7.90 3.28 0.00 1.11 1.35 0.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 882 I 6.95 3.52 1.72 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.19 0.76 0.00 0.00 883 K 7.44 4.51 0.00 1.95 1.94 0.00 1.27 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.42 7.81 884 S 7.68 4.19 0.00 4.52 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 0.00 885 H 8.08 4.28 0.00 3.16 3.39 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 886 M 8.05 4.31 0.00 2.00 2.25 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 2.61 2.63 0.00 887 V 7.57 4.27 2.40 0.00 0.00 0.00 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 1.24 0.00 0.00 888 S 8.11 3.70 0.00 4.04 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 0.00 889 V 7.79 4.23 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 0.59 0.00 0.00 0.76 0.00 0.00 890 D 8.26 4.69 0.00 2.67 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 0.00 891 F 8.53 4.50 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 0.00 892 P 0.00 4.51 0.00 2.35 1.94 0.00 3.53 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 2.18 2.07 0.00 893 E 8.68 3.95 0.00 2.19 2.23 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 2.42 2.37 0.00 894 M 8.19 3.96 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 895 M 8.32 3.88 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.79 0.00 896 A 8.38 3.96 1.42 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 0.00 0.00 897 E 8.16 3.91 0.00 2.20 2.13 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 2.31 2.40 0.00 898 I 7.87 3.84 1.93 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 1.78 0.65 1.30 0.00 0.00 899 I 8.17 4.09 1.92 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.04 1.08 0.00 0.00 900 S 7.78 4.72 0.00 4.01 4.02 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 0.00 0.00 0.00 901 V 7.52 4.23 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 0.93 0.00 0.00 1.09 0.00 0.00 902 Q 7.94 4.36 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 903 V 8.07 3.59 2.45 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 1.05 0.00 0.00 1.20 0.00 0.00 904 P 0.00 3.97 0.00 2.15 1.90 0.00 3.79 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 2.32 2.12 0.00 905 K 7.96 3.95 0.00 2.04 1.80 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.75 7.81 906 I 7.41 3.91 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.27 0.81 0.00 0.00 907 L 7.66 4.02 0.00 1.35 1.56 0.62 0.68 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 0.00 908 S 8.08 4.46 0.00 3.95 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 0.00 909 G 7.72 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 910 K 8.04 4.04 0.00 1.94 1.79 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.32 7.81 911 V 7.43 4.61 1.60 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 0.16 0.00 0.00 0.34 0.00 0.00 912 K 8.58 4.64 0.00 1.62 1.57 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.30 7.81 913 P 0.00 4.56 0.00 1.17 1.70 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 914 I 8.42 4.12 1.72 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.85 0.79 0.00 0.00 915 Y 8.30 4.60 0.00 2.95 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 916 F 9.60 4.33 0.00 3.27 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 917 H 8.70 5.08 0.00 3.17 3.28 0.00 5.64 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 0.00 918 T 8.42 4.14 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.