NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 607 Q 4.3036 8.3449 121.7017 55.5601 31.2485 175.8084 608 T 4.2195 7.3796 113.3015 62.5267 70.2207 172.1428 609 V 4.1093 8.2665 121.1977 63.8133 32.6191 177.0537 610 H 4.7733 7.8832 115.4462 56.5713 28.9077 175.8554 611 E 3.7436 7.6361 119.4138 58.3728 29.4731 177.2906 612 F 4.8843 8.2015 114.0455 56.5468 40.2396 173.9277 613 A 4.7557 7.6014 123.7146 49.9983 21.8673 175.9359 614 K 4.2678 8.5148 122.4780 56.1788 33.5586 175.8627 615 E 4.6042 8.7314 126.1624 56.0190 30.0691 175.8568 616 L 4.5496 9.0043 127.7534 53.6109 43.5889 176.0456 617 D 4.4938 8.5288 121.4508 53.3282 41.9108 177.2359 618 A 4.0312 8.6945 130.1009 55.1063 18.6598 179.1671 619 T 3.9786 7.9431 105.4273 64.2569 68.9167 174.9479 620 N 4.6293 8.3846 118.9179 53.6065 39.0796 173.9549 621 I 4.9000 7.4900 120.1560 59.5383 39.2505 175.1722 622 S 4.7506 8.9758 123.3020 56.7552 65.5236 173.1087 623 I 4.3626 8.3770 125.9035 60.8070 37.5981 175.1001 624 D 4.7531 9.1712 128.3944 55.8959 41.5558 177.0090 625 K 4.6026 7.4193 116.6969 55.2009 36.4429 174.8959 626 V 4.0992 8.5352 123.0304 63.4025 31.7263 175.5020 627 V 4.3753 9.4308 121.2085 59.7666 32.7073 176.0841 628 G 4.1806 7.0380 108.3668 46.2060 0.0000 171.1132 629 A 5.0952 8.1701 120.9758 50.2270 21.6904 176.5097 630 G 4.0456 8.9934 112.5855 43.4459 0.0000 173.7944 631 E 3.6333 8.7642 119.1002 58.4869 29.5709 177.4250 632 F 4.6944 9.4800 114.2745 56.5234 40.3371 175.7796 633 G 4.2018 6.5708 107.4511 44.8980 0.0000 171.9951 634 E 4.6480 8.1238 118.7765 56.1970 31.2268 176.0962 635 V 4.9194 8.7367 121.9644 61.5653 34.0813 174.4474 636 C 5.5871 9.5206 124.7334 58.0267 32.4407 172.8366 637 S 5.1092 8.9101 115.0265 56.8693 65.8723 174.0948 638 G 3.9600 7.6208 106.5244 46.1627 0.0000 172.1042 639 R 5.0722 8.1313 118.8716 54.3121 34.9408 174.3212 640 L 5.0738 8.9406 124.0451 53.1577 45.2245 174.9808 641 K 4.7054 8.9149 128.7753 55.3395 32.8311 176.5974 642 L 4.4013 9.2005 128.3178 53.3048 42.6144 176.2871 643 P 4.2962 0.0000 0.0000 65.8519 31.2198 178.0195 644 S 4.2296 7.9456 109.6813 58.5698 63.1211 174.7066 645 K 3.9610 8.3299 119.9822 56.8085 30.1256 175.8920 646 K 4.1539 7.7048 121.1141 56.2489 32.7076 175.2022 647 E 5.2696 8.6184 124.8279 54.5733 31.5929 175.2645 648 I 4.7318 8.5555 117.0751 58.8976 41.3793 174.9521 649 S 4.7827 8.5911 119.3850 58.8622 63.6833 173.9696 650 V 4.8385 8.6896 115.3436 59.7976 36.6213 173.9614 651 A 5.0493 8.9246 124.7686 51.2667 20.6863 176.5677 652 I 4.8481 9.1171 122.8090 59.5868 40.4984 174.6281 653 K 5.1107 9.4014 128.1453 55.1188 33.9995 175.9383 654 T 5.1091 8.6894 114.8943 59.7377 71.8039 172.9571 655 L 4.0385 8.2455 126.9164 53.5928 42.6042 176.5443 656 K 4.0180 9.0524 126.2902 57.0371 33.5753 176.6803 657 V 3.6387 8.3782 122.2377 64.5865 31.9494 175.9928 658 G 3.7942 8.8347 114.1131 45.9230 0.0000 173.0930 659 Y 4.4636 7.2844 117.0862 57.1941 38.4915 176.8790 660 T 4.3806 9.3116 112.4888 60.8933 71.6319 175.5541 661 E 4.0679 8.6966 122.1243 59.3030 29.5350 178.9090 662 K 3.9543 8.0918 119.1427 59.7655 32.2924 178.4938 663 Q 4.2397 8.2880 118.2296 59.0590 28.5707 178.9830 664 R 3.6841 8.2068 119.5445 59.4812 30.0636 178.8224 665 R 3.8811 8.0843 117.7771 59.3821 29.9371 178.8602 666 D 4.2875 8.3410 118.9793 57.0957 40.9393 178.4947 667 F 3.4895 7.6775 121.2255 61.2847 39.3049 177.3301 668 L 3.9372 8.1651 118.7454 57.3132 41.3046 179.6757 669 G 3.5434 8.1942 106.2520 47.6851 0.0000 175.3882 670 E 3.9346 7.9012 121.5065 58.9172 29.5990 178.6775 671 A 3.8600 7.3304 119.9106 55.3084 18.4122 179.6842 672 S 4.0406 8.1107 113.7725 61.7058 62.8179 177.2280 673 I 3.1310 7.3274 121.9971 64.3686 36.9268 177.9088 674 M 3.3986 7.6419 119.0632 58.4990 31.7652 178.2677 675 G 3.8622 7.6010 105.2667 46.3354 0.0000 175.0327 676 Q 3.6940 6.9576 119.0464 55.9968 28.8447 175.6981 677 F 5.1385 6.8585 119.1733 55.6039 40.7903 174.9179 678 D 4.7950 8.8622 124.6352 52.5729 41.9450 173.5703 679 H 4.6504 8.1205 124.0048 53.4821 32.9357 172.6505 680 P 4.3417 0.0000 0.0000 64.9895 31.4127 176.6636 681 N 4.9925 8.3621 115.9649 52.7792 39.0834 173.2085 682 I 5.0282 7.5123 118.4323 59.0999 40.2656 175.7462 683 I 3.9293 8.6398 127.7753 61.9542 37.8397 175.6487 684 R 4.1864 9.3720 128.3718 55.7293 31.2750 174.8973 685 L 4.5263 8.4780 129.1554 54.6697 41.9409 176.1109 686 E 4.1248 9.2474 127.8604 57.1247 30.3919 177.6672 687 G 3.9777 6.9244 105.7785 45.3754 0.0000 170.8200 688 V 4.8179 7.9520 111.8589 59.3240 35.3082 175.2250 689 V 4.7525 8.5728 121.1314 61.5594 32.1291 176.0229 690 T 4.4096 9.5121 117.2581 62.1310 70.5651 175.8642 691 K 3.9974 8.3972 119.2974 57.4202 32.3916 176.1359 692 S 4.8131 7.4572 112.9623 56.3800 66.2501 173.1887 693 K 4.8089 8.2279 119.3671 53.4563 34.9320 174.7987 694 P 4.4069 0.0000 0.0000 62.5272 32.0147 176.3298 695 V 4.0137 8.1533 120.5245 63.6694 32.7928 174.5430 696 M 5.5503 9.2156 125.5793 53.7349 36.8829 174.1367 697 I 4.7079 9.0881 122.3140 59.4855 40.6173 174.5737 698 V 4.9829 8.7634 127.5184 61.3444 33.7718 174.5163 699 T 5.3633 8.7907 117.4792 59.1651 72.6719 173.0072 700 E 4.4115 8.7048 120.3694 56.6345 30.2634 176.0748 701 Y 4.4011 8.5898 123.2556 57.6434 40.3094 174.8431 702 M 4.2914 7.7297 125.1270 53.0216 33.5411 175.7199 703 E 3.3466 8.2514 125.5945 58.5655 29.9970 177.3203 704 N 4.5753 7.7365 113.5712 52.3235 39.6118 177.2607 705 G 3.7689 7.6317 107.1497 46.1117 0.0000 173.3698 706 S 4.6430 8.3320 116.8825 58.1827 64.8416 174.8237 707 L 4.0857 8.7986 127.9416 58.1134 42.0047 179.2977 708 D 4.4156 8.0829 118.7473 56.7920 39.2463 178.6503 709 S 4.2066 8.0607 115.2461 60.9062 63.2481 176.0074 710 F 4.4603 8.4091 123.3473 61.5431 39.2618 177.2878 711 L 4.2204 8.4936 118.8362 57.8718 41.1691 179.6630 712 R 4.1296 7.9781 117.3348 59.0703 30.0477 178.6431 713 K 4.1535 7.7038 116.1171 57.8167 32.3441 176.9231 714 H 4.8469 7.8404 116.4869 53.4842 29.8814 172.5668 715 D 3.4936 8.2239 117.9400 55.7844 40.9876 175.8550 716 A 3.2536 5.8000 126.7788 53.0014 15.7196 177.5156 717 Q 4.1589 7.6348 116.9817 57.0145 29.5000 175.6726 718 F 5.1226 7.8189 116.8295 55.8122 41.4791 176.1413 719 T 4.3567 8.9751 113.5900 61.2939 70.8489 176.0023 720 V 3.6324 8.3644 121.5170 66.4771 31.4580 178.4419 721 I 3.7405 7.7572 118.9788 64.3209 36.9535 178.2133 722 Q 3.9642 8.2168 118.9664 59.0278 28.5951 178.9182 723 L 3.8894 7.9658 119.9531 57.7155 41.5445 179.7842 724 V 3.7034 8.2752 118.8167 65.6959 31.4682 178.1289 725 G 3.6903 8.3265 105.8644 48.1818 0.0000 175.2740 726 M 3.9814 7.8665 121.3596 58.2438 31.9866 179.0136 727 L 4.0860 7.9878 118.8602 57.6868 41.6615 179.5955 728 R 4.0254 8.5550 119.3916 59.2604 30.0420 178.7975 729 G 3.5989 8.0665 105.5173 47.7998 0.0000 175.6143 730 I 3.7123 7.8587 122.2219 64.2032 37.1377 178.3533 731 A 3.7896 8.3545 121.5408 55.1220 18.2024 179.6907 732 S 4.0822 8.4472 112.0399 61.3614 62.4456 176.5384 733 G 3.4464 8.0834 108.4184 48.1927 0.0000 175.5996 734 M 3.6118 7.8670 121.3885 57.3752 31.5804 178.7413 735 K 3.8716 7.8638 120.1230 59.6093 32.3923 178.2414 736 Y 4.0838 7.6870 119.4168 60.5759 38.8464 177.3636 737 L 3.2731 7.7110 121.6395 58.1141 42.0734 179.2276 738 S 4.3023 8.1559 114.2028 61.6528 62.8198 175.9048 739 D 4.4175 8.1167 121.9046 57.2788 40.6544 178.0357 740 M 4.3594 7.5812 116.1331 55.1988 32.3632 177.0423 741 G 3.8625 8.2079 108.2589 45.7530 0.0000 172.4151 742 Y 4.8992 7.7718 116.3703 55.7692 39.9329 175.4953 743 V 4.5917 8.3174 123.3910 60.1343 33.3722 176.3077 744 H 4.0261 9.9840 125.4355 59.1085 29.8222 177.5258 745 R 4.2470 8.5403 114.3793 56.7075 28.6179 176.1496 746 D 4.7837 8.0197 114.9128 53.3418 42.3145 174.4435 747 L 3.7850 8.1810 119.4966 54.9247 42.3490 175.9062 748 A 4.5525 8.0148 126.3694 50.8735 21.9264 176.5072 749 A 4.0164 9.2370 124.1815 55.1982 18.5996 180.6464 750 R 4.5195 7.7881 110.3355 58.1920 29.9110 176.8727 751 N 4.8015 8.2703 115.7619 52.8930 39.9549 173.9711 752 I 4.8670 7.6460 120.9648 59.5888 39.7348 174.8382 753 L 5.1414 8.5843 125.8243 53.0236 45.1827 175.2359 754 I 4.8931 8.3322 121.0453 59.4059 41.6138 174.8097 755 N 5.0824 8.4406 127.2868 51.1773 39.6310 175.8293 756 S 4.0793 8.6844 112.4848 61.1244 62.8956 174.7368 757 N 4.6813 8.1908 116.0564 52.6150 38.3906 174.9000 758 L 3.4635 7.7929 116.0217 55.3182 39.8946 174.4069 759 V 3.8360 7.8549 120.0827 62.9199 32.4565 174.6221 760 C 5.2338 8.5543 125.1008 58.2233 30.3261 173.3295 761 K 4.7451 8.7585 121.3440 54.5079 36.4251 175.9136 762 V 3.9513 8.7774 125.2237 63.1610 32.7296 174.9313 763 S 4.7261 7.9199 121.2427 57.1546 66.0149 172.3716 764 D 4.1986 8.3734 117.7998 55.2926 38.3652 172.5358 765 F 4.5123 9.3217 118.7303 56.8898 39.4381 178.4442 766 G 3.7209 7.9898 113.2530 48.2317 0.0000 175.0974 767 L 4.4260 7.5776 116.4744 54.3134 42.4871 176.6999 768 S 4.6444 7.8274 113.5928 57.9526 63.1489 172.8769 769 R 4.7914 8.4527 120.8051 54.8486 32.9976 174.2493 770 V 3.4322 7.9549 120.0897 62.5401 32.4320 175.7933 771 L 4.3640 8.5378 128.2124 54.7107 41.3676 176.2688 772 E 4.6928 8.3409 120.9743 54.5203 32.6231 176.1186 773 D 4.5308 8.4053 121.0399 53.5801 36.1503 175.6827 *784 G 3.8845 7.1519 112.0888 46.1789 0.0000 170.7402 785 K 4.1657 7.8674 120.6782 55.3111 33.1899 176.8074 786 I 4.6174 8.0555 116.4056 58.3900 40.1493 174.6114 787 P 4.7423 0.0000 0.0000 61.6543 29.9888 176.5060 788 I 3.7297 8.3468 128.2121 65.4310 37.4538 178.8375 789 R 3.7359 8.1896 116.8004 58.0530 29.8914 177.2696 790 W 4.7103 8.7629 116.4183 56.7169 30.2046 175.6857 791 T 4.6782 7.5826 116.0644 61.9445 69.4407 175.5785 792 S 2.7900 7.9949 119.8560 57.0106 65.0910 173.6660 793 P 3.8600 0.0000 0.0000 65.6088 31.0572 178.8873 794 E 3.9063 7.7373 115.6839 59.1235 29.5887 178.9488 795 A 3.3324 7.2767 121.7735 54.5961 18.0608 179.6121 796 I 3.5282 7.3613 117.3424 64.3679 37.2163 178.2970 797 A 4.2605 7.8224 120.7978 54.7465 18.2856 179.0127 798 Y 4.7264 7.8964 114.5914 56.7486 38.5306 175.2448 799 R 3.9195 7.7248 116.4647 57.9807 28.1513 177.6293 800 K 3.8725 6.3916 120.3435 55.3754 30.4097 174.2307 801 F 4.7201 8.2066 122.1019 55.5670 40.5831 175.4964 802 T 4.8004 8.9308 114.9488 59.1458 72.1289 174.8881 803 S 4.3230 8.7824 116.6902 61.6829 62.6831 176.7826 804 A 4.0111 7.9159 123.5889 54.8009 18.1483 179.7357 805 S 4.2854 8.1430 113.2532 61.5974 63.1676 176.4733 806 D 4.6600 8.2390 122.2065 57.2326 40.6971 178.5669 807 V 3.3839 8.1127 119.0869 65.4834 31.5550 177.6543 808 W 4.6557 8.2360 129.3751 60.1903 30.4585 178.0905 809 S 4.7736 8.4649 115.7661 61.3893 62.3535 175.8651 810 Y 4.2098 8.8858 122.8324 60.8745 38.5268 178.4570 811 G 3.3975 8.3887 106.4011 47.9060 0.0000 175.6384 812 I 4.0373 7.9834 121.7723 64.1801 37.1059 178.6227 813 V 3.8743 8.2336 119.3939 65.9573 31.3422 177.5576 814 L 3.7360 8.0018 120.3655 58.0428 41.8253 178.8663 815 W 4.1249 8.3823 128.0198 60.4939 30.6790 177.7291 816 E 4.0277 8.7961 119.0179 59.3823 28.9269 179.6064 817 V 3.4028 8.1217 118.5135 66.3671 31.4923 178.1252 818 M 4.0273 7.7663 116.3779 57.4581 31.8512 177.8321 819 S 4.3137 7.5121 114.2992 56.9953 63.3234 173.5382 820 Y 3.4800 8.5506 118.6579 59.1833 35.7702 171.7260 821 G 3.9879 8.7378 103.4266 45.8463 0.0000 174.0555 822 E 4.1596 7.4896 118.5607 55.8643 30.1399 177.0500 823 R 4.1694 8.6659 122.5077 55.3850 30.7181 174.2189 824 P 3.1808 0.0000 0.0000 64.0883 31.7813 175.4734 825 Y 2.7671 6.5184 117.7250 57.3797 36.5374 170.9710 826 W 3.5115 6.4674 122.3666 58.5762 28.8978 175.1831 827 E 4.7646 9.0880 123.9367 57.0790 29.1918 175.5152 828 M 4.1336 7.9811 118.4380 55.7319 32.7175 177.3764 829 S 4.1683 8.6949 117.7470 59.2054 64.7401 175.4243 830 N 4.1841 8.9118 123.0089 56.9654 38.3595 177.6256 831 Q 3.9858 7.9797 118.5432 59.0399 28.7513 178.3691 832 D 4.3582 7.8478 119.4032 56.8241 41.0234 178.7645 833 V 3.2068 7.8112 119.1203 65.8230 31.4256 178.2030 834 I 3.4981 7.5513 119.4240 64.1733 36.9242 178.4080 835 K 3.8684 8.0310 120.1832 59.3150 32.0678 178.6996 836 A 4.0020 8.1270 121.2761 55.2209 18.3695 179.7397 837 V 3.9578 7.5511 118.0242 65.7802 31.3854 177.6339 838 D 4.3464 7.8045 116.5052 57.3915 41.1386 177.6081 839 E 4.2534 8.2152 117.1138 57.0440 29.8308 177.5889 840 G 4.0745 8.1734 107.4381 44.9884 0.0000 173.2363 841 Y 4.6248 8.2752 118.3358 58.0322 39.2410 175.0835 842 R 4.5824 9.2960 121.0108 53.8730 34.9496 174.7719 843 L 4.0419 7.6657 121.1851 54.5140 42.0039 175.6419 844 P 4.8936 0.0000 0.0000 60.4284 32.6598 174.1453 845 P 3.9033 0.0000 0.0000 61.7805 31.8194 175.1769 846 P 4.2946 0.0000 0.0000 62.2541 31.9376 175.4216 847 M 4.1534 8.4637 120.1600 57.4381 32.3653 175.6366 848 D 4.4102 8.7405 124.1084 55.3012 38.8438 173.0479 849 C 4.2793 7.7836 119.4251 58.1196 32.2445 171.0968 850 P 4.5876 0.0000 0.0000 62.9909 32.4081 176.7699 851 A 4.0536 8.9646 124.6281 55.6841 18.3245 180.0005 852 A 3.9316 8.0088 118.3612 55.2359 18.4681 179.6618 853 L 3.9961 7.7257 117.0354 57.7946 42.0078 178.7057 854 Y 4.1482 8.0866 119.6349 60.6490 38.6593 177.7694 855 Q 3.8616 8.4106 120.8739 58.9641 29.0426 177.9526 856 L 3.7568 7.7085 121.2479 58.3246 42.0842 178.6540 857 M 2.9843 7.5465 118.3649 58.2164 31.5528 178.7460 858 L 3.7838 6.8535 117.1493 57.8251 41.8558 179.1567 859 D 4.3832 7.9655 118.9115 57.5225 40.6406 178.6215 860 C 4.1186 8.0082 117.3149 61.6516 27.6682 174.9598 861 W 4.0286 6.9504 118.9630 55.2445 29.5699 176.3177 862 Q 4.1913 7.3570 118.7892 55.7979 28.8020 176.4794 863 K 4.0322 9.0757 124.1965 59.5121 32.4431 176.3537 864 D 4.6274 8.0695 120.5121 53.0530 41.3556 176.6914 865 R 4.0231 8.6970 124.4629 59.2629 29.5929 178.5000 866 N 4.4726 8.4384 115.0225 55.3848 38.5414 175.3609 867 N 4.6901 7.9892 114.1241 53.3492 39.2107 175.7050 868 R 4.3512 7.5159 117.7632 54.8055 30.8590 174.8067 869 P 4.5066 0.0000 0.0000 62.4812 32.2499 176.9973 870 K 4.1246 8.8850 119.8313 55.8155 34.0446 178.4100 871 F 4.0627 8.4549 119.8595 60.9338 38.8176 177.5364 872 E 3.9414 8.2932 118.2850 59.5192 29.3020 178.8563 873 Q 4.0074 7.8552 117.5616 58.7664 28.8828 178.3800 874 I 3.5927 7.7836 120.9350 64.2555 37.0393 178.5113 875 V 3.5549 7.9296 119.1678 66.1475 31.3898 177.8604 876 S 4.0720 8.0707 112.7080 61.5235 62.2922 176.2167 877 I 3.7063 8.0259 122.6364 64.4434 36.8269 178.4990 878 L 4.0435 8.0672 119.8032 57.7750 41.4652 179.1824 879 D 4.3638 8.4332 119.2413 57.3787 40.7596 178.9705 880 K 3.9758 8.1463 118.8615 59.5511 31.8145 179.4062 881 L 4.0384 7.5621 117.8989 57.8134 41.5874 179.3117 882 I 3.8599 7.7566 119.1275 64.2516 37.1175 178.0825 883 R 4.1714 7.9766 118.3191 57.4069 31.5722 175.8821 884 N 5.0172 8.0196 116.8967 50.1837 38.8952 172.6187 885 P 4.5039 0.0000 0.0000 65.6323 31.6306 178.7675 886 G 3.6431 8.2114 105.5185 47.2784 0.0000 175.3668 887 S 4.1489 8.1605 116.7955 61.8423 62.5639 176.7628 888 L 4.1847 7.5431 119.8653 55.9618 41.4368 178.7959 889 K 4.1838 7.8309 119.5961 57.9786 32.3555 176.6224 890 I 4.1170 7.1831 120.5412 60.9842 37.9280 175.4016 891 I 5.0899 8.2011 127.3406 59.3818 40.8285 176.0364 892 T 4.0962 8.4112 115.5615 61.3111 70.1763 173.0077 *896 A 4.0922 8.3452 123.5439 52.2542 19.1659 176.1566 897 R 4.7797 8.2036 118.1924 54.0732 32.6922 173.4533 898 P 4.5780 0.0000 0.0000 63.5996 31.9525 175.6036 899 S 4.6429 7.4531 112.1563 57.0136 65.9370 173.8470 900 N 4.3993 8.7450 119.5917 56.7514 38.8791 175.4902 901 L 4.6202 7.8123 116.1646 54.5794 43.0039 175.9562 902 L 4.7577 9.0752 124.6618 53.4200 44.1382 175.0939 903 L 3.9360 8.4528 128.7770 56.4617 42.6250 176.2507 904 D 4.8696 8.6211 125.9328 54.5814 41.4381 175.0486 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 607 Q 8.34 4.30 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 608 T 7.38 4.22 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 1.23 0.00 0.00 609 V 8.27 4.11 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 0.94 0.00 0.00 0.87 0.00 0.00 610 H 7.88 4.77 0.00 3.12 3.32 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 611 E 7.64 3.74 0.00 1.67 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 1.47 1.68 0.00 612 F 8.20 4.88 0.00 3.02 2.70 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 0.00 613 A 7.60 4.76 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 0.00 614 K 8.51 4.27 0.00 1.73 1.74 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.43 7.81 615 E 8.73 4.60 0.00 1.93 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 0.00 2.27 2.41 0.00 616 L 9.00 4.55 0.00 1.53 1.58 0.92 1.13 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 0.00 617 D 8.53 4.49 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.69 4.03 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 619 T 7.94 3.98 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 1.26 0.00 0.00 620 N 8.38 4.63 0.00 2.95 3.02 0.00 0.00 6.68 7.96 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 0.00 621 I 7.49 4.90 1.99 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 1.24 0.58 0.92 0.00 0.00 622 S 8.98 4.75 0.00 3.71 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 623 I 8.38 4.36 1.88 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 1.36 0.53 0.93 0.00 0.00 624 D 9.17 4.75 0.00 2.63 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 0.00 625 K 7.42 4.60 0.00 1.83 1.86 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.42 7.81 626 V 8.54 4.10 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 0.85 0.00 0.00 0.95 0.00 0.00 627 V 9.43 4.38 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 0.87 0.00 0.00 1.07 0.00 0.00 628 G 7.04 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 629 A 8.17 5.10 1.22 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 0.00 0.00 630 G 8.99 4.05 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 0.00 0.00 0.00 631 E 8.76 3.63 0.00 1.73 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 0.00 1.47 1.92 0.00 632 F 9.48 4.69 0.00 3.12 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 0.00 633 G 6.57 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 0.00 0.00 0.00 634 E 8.12 4.65 0.00 1.94 1.90 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 2.41 2.27 0.00 635 V 8.74 4.92 2.14 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 1.11 0.00 0.00 1.01 0.00 0.00 636 C 9.52 5.59 0.00 2.95 2.89 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 S 8.91 5.11 0.00 3.70 4.07 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 0.00 638 G 7.62 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 639 R 8.13 5.07 0.00 1.68 1.74 0.00 3.03 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 640 L 8.94 5.07 0.00 1.69 1.47 0.92 0.49 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 0.00 641 K 8.91 4.71 0.00 1.78 1.87 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.41 7.81 642 L 9.20 4.40 0.00 1.76 1.57 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 643 P 0.00 4.30 0.00 2.03 2.12 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 644 S 7.95 4.23 0.00 3.97 3.97 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 0.00 645 K 8.33 3.96 0.00 1.91 2.00 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.50 7.81 646 K 7.70 4.15 0.00 1.75 1.66 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.41 7.81 647 E 8.62 5.27 0.00 1.85 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 0.00 2.20 2.26 0.00 648 I 8.56 4.73 1.89 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 1.33 1.35 0.92 0.00 0.00 649 S 8.59 4.78 0.00 3.76 3.39 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 0.00 650 V 8.69 4.84 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 0.82 0.00 0.00 0.94 0.00 0.00 651 A 8.92 5.05 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 0.00 652 I 9.12 4.85 1.91 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 0.97 0.96 0.00 0.00 653 K 9.40 5.11 0.00 1.80 2.09 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.53 1.47 7.81 654 T 8.69 5.11 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 1.25 0.00 0.00 655 L 8.25 4.04 0.00 0.61 1.16 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 656 K 9.05 4.02 0.00 1.84 1.95 0.00 1.44 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.65 1.51 7.81 657 V 8.38 3.64 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 0.80 0.00 0.00 0.96 0.00 0.00 658 G 8.83 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 0.00 659 Y 7.28 4.46 0.00 3.06 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 0.00 660 T 9.31 4.38 4.30 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 1.25 0.00 0.00 661 E 8.70 4.07 0.00 2.11 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 0.00 2.43 2.44 0.00 662 K 8.09 3.95 0.00 1.96 1.87 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.43 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.70 7.81 663 Q 8.29 4.24 0.00 2.51 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 664 R 8.21 3.68 0.00 1.82 2.12 0.00 3.21 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.00 665 R 8.08 3.88 0.00 2.06 1.96 0.00 3.19 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 666 D 8.34 4.29 0.00 2.66 2.85 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 0.00 667 F 7.68 3.49 0.00 2.24 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 0.00 668 L 8.17 3.94 0.00 1.70 1.59 0.87 1.03 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 0.00 669 G 8.19 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.90 3.93 0.00 1.94 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 0.00 2.34 2.57 0.00 671 A 7.33 3.86 1.20 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 0.00 0.00 672 S 8.11 4.04 0.00 3.99 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 0.00 673 I 7.33 3.13 1.80 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.37 0.00 0.00 674 M 7.64 3.40 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 675 G 7.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 676 Q 6.96 3.69 0.00 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.54 0.00 0.00 0.00 0.00 0.00 1.16 1.40 0.00 677 F 6.86 5.14 0.00 2.95 2.95 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 0.00 678 D 8.86 4.79 0.00 2.62 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 0.00 679 H 8.12 4.65 0.00 2.90 3.03 0.00 5.73 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 P 0.00 4.34 0.00 2.14 2.08 0.00 2.98 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 681 N 8.36 4.99 0.00 2.94 2.89 0.00 0.00 6.92 7.22 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 0.00 682 I 7.51 5.03 1.98 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 1.21 0.59 1.10 0.00 0.00 683 I 8.64 3.93 2.01 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 1.27 0.75 0.96 0.00 0.00 684 R 9.37 4.19 0.00 1.89 1.89 0.00 3.09 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 685 L 8.48 4.53 0.00 1.64 1.54 0.96 1.00 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 0.00 686 E 9.25 4.12 0.00 2.04 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 2.36 2.43 0.00 687 G 6.92 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 0.00 0.00 0.00 688 V 7.95 4.82 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 0.66 0.00 0.00 0.95 0.00 0.00 689 V 8.57 4.75 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.00 0.00 0.00 690 T 9.51 4.41 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 691 K 8.40 4.00 0.00 1.78 1.91 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.37 7.81 692 S 7.46 4.81 0.00 4.12 3.80 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 0.00 0.00 0.00 0.00 693 K 8.23 4.81 0.00 1.78 1.80 0.00 1.86 0.00 0.00 2.02 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.44 7.81 694 P 0.00 4.41 0.00 2.17 2.07 0.00 3.79 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 2.01 1.97 0.00 695 V 8.15 4.01 1.89 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 1.20 0.00 0.00 0.81 0.00 0.00 696 M 9.22 5.55 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 697 I 9.09 4.71 1.68 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.17 0.77 0.00 0.00 698 V 8.76 4.98 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 1.09 0.00 0.00 0.95 0.00 0.00 699 T 8.79 5.36 4.34 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 1.22 0.00 0.00 700 E 8.70 4.41 0.00 2.04 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 2.33 2.27 0.00 701 Y 8.59 4.40 0.00 2.94 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 0.00 702 M 7.73 4.29 0.00 1.96 1.75 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 2.48 2.49 0.00 703 E 8.25 3.35 0.00 1.87 1.88 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 2.34 2.56 0.00 704 N 7.74 4.58 0.00 2.42 1.85 0.00 0.00 7.05 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 0.00 705 G 7.63 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 706 S 8.33 4.64 0.00 3.91 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 0.00 707 L 8.80 4.09 0.00 1.72 1.86 0.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 708 D 8.08 4.42 0.00 3.02 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 0.00 709 S 8.06 4.21 0.00 3.96 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 0.00 811 G 8.39 3.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 812 I 7.98 4.04 2.24 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.09 0.55 0.00 0.00 813 V 8.23 3.87 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 0.92 0.00 0.00 1.14 0.00 0.00 814 L 8.00 3.74 0.00 1.43 1.75 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 815 W 8.38 4.12 0.00 3.68 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 816 E 8.80 4.03 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.84 0.00 817 V 8.12 3.40 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 0.87 0.00 0.00 0.91 0.00 0.00 818 M 7.77 4.03 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.81 0.00 819 S 7.51 4.31 0.00 3.29 3.24 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 0.00 820 Y 8.55 3.48 0.00 3.11 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 8.74 3.99 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 0.00 0.00 0.00 822 E 7.49 4.16 0.00 1.73 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 2.48 2.36 0.00 823 R 8.67 4.17 0.00 1.99 1.94 0.00 3.31 0.00 0.00 3.57 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 824 P 0.00 3.18 0.00 1.26 1.12 0.00 3.75 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.98 0.00 825 Y 6.52 2.77 0.00 2.89 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 0.00 826 W 6.47 3.51 0.00 3.63 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 0.00 0.00 0.00 0.00 827 E 9.09 4.76 0.00 2.03 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 2.35 2.32 0.00 828 M 7.98 4.13 0.00 2.05 2.18 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 3.08 2.67 0.00 829 S 8.69 4.17 0.00 4.00 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 0.00 830 N 8.91 4.18 0.00 2.74 2.86 0.00 0.00 7.13 7.58 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 0.00 831 Q 7.98 3.99 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 832 D 7.85 4.36 0.00 2.78 2.65 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 0.00 0.00 0.00 0.00 833 V 7.81 3.21 1.91 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 0.02 0.00 0.00 0.70 0.00 0.00 834 I 7.55 3.50 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.43 0.83 0.00 0.00 835 K 8.03 3.87 0.00 1.92 1.75 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.44 7.81 836 A 8.13 4.00 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 0.00 837 V 7.55 3.96 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 1.37 0.00 0.00 0.86 0.00 0.00 838 D 7.80 4.35 0.00 2.71 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 0.00 839 E 8.22 4.25 0.00 2.38 2.17 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 2.41 2.53 0.00 840 G 8.17 4.07 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 0.00 0.00 0.00 841 Y 8.28 4.62 0.00 3.08 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 0.00 842 R 9.30 4.58 0.00 1.76 1.77 0.00 3.17 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 843 L 7.67 4.04 0.00 0.66 0.47 -0.99 -1.09 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 0.00 844 P 0.00 4.89 0.00 2.34 2.37 0.00 3.57 0.00 0.00 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 845 P 0.00 3.90 0.00 1.78 1.32 0.00 3.56 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.13 0.00 846 P 0.00 4.29 0.00 2.04 1.65 0.00 3.64 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.32 0.00 847 M 8.46 4.15 0.00 1.96 1.98 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 2.57 2.56 0.00 848 D 8.74 4.41 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 849 C 7.78 4.28 0.00 3.10 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 P 0.00 4.59 0.00 2.21 2.12 0.00 3.68 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 2.13 2.28 0.00 851 A 8.96 4.05 1.35 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 0.00 0.00 852 A 8.01 3.93 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 0.00 853 L 7.73 4.00 0.00 1.87 1.72 0.92 0.79 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 0.00 854 Y 8.09 4.15 0.00 3.06 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 0.00 855 Q 8.41 3.86 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 856 L 7.71 3.76 0.00 1.86 1.74 0.83 1.04 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 0.00 857 M 7.55 2.98 0.00 0.51 1.46 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.21 0.00 858 L 6.85 3.78 0.00 1.49 1.57 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 859 D 7.97 4.38 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 860 C 8.01 4.12 0.00 2.46 2.93 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 0.00 861 W 6.95 4.03 0.00 3.01 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 0.00 0.00 0.00 862 Q 7.36 4.19 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 863 K 9.08 4.03 0.00 1.80 1.92 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 864 D 8.07 4.63 0.00 2.75 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 0.00 865 R 8.70 4.02 0.00 2.07 2.21 0.00 3.02 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 866 N 8.44 4.47 0.00 2.90 2.93 0.00 0.00 6.99 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 867 N 7.99 4.69 0.00 2.88 2.85 0.00 0.00 7.01 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 868 R 7.52 4.35 0.00 1.91 1.81 0.00 3.40 0.00 0.00 3.68 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.64 0.00 869 P 0.00 4.51 0.00 2.04 1.96 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 870 K 8.89 4.12 0.00 1.74 1.74 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.60 7.81 871 F 8.45 4.06 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 872 E 8.29 3.94 0.00 2.06 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 2.39 2.43 0.00 873 Q 7.86 4.01 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 874 I 7.78 3.59 1.88 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 0.59 0.00 0.00 875 V 7.93 3.55 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 1.09 0.00 0.00 0.99 0.00 0.00 876 S 8.07 4.07 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 3.71 2.00 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 1.68 1.20 0.89 0.00 0.00 878 L 8.07 4.04 0.00 1.83 1.73 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 879 D 8.43 4.36 0.00 2.88 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 0.00 880 K 8.15 3.98 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.65 7.81 881 L 7.56 4.04 0.00 1.82 1.73 0.92 0.67 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 0.00 882 I 7.76 3.86 2.03 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 1.41 0.62 0.91 0.00 0.00 883 R 7.98 4.17 0.00 1.82 2.21 0.00 3.20 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 884 N 8.02 5.02 0.00 2.80 2.76 0.00 0.00 6.76 7.76 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 0.00 885 P 0.00 4.50 0.00 2.31 2.32 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 886 G 8.21 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 887 S 8.16 4.15 0.00 4.07 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 0.00 888 L 7.54 4.18 0.00 1.82 1.78 0.93 0.90 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 0.00 889 K 7.83 4.18 0.00 1.77 2.03 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.48 7.81 890 I 7.18 4.12 1.88 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 1.23 0.56 0.92 0.00 0.00 891 I 8.20 5.09 1.87 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 1.41 0.71 0.98 0.00 0.00 892 T 8.41 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 1.23 0.00 0.00 *896 A 8.35 4.09 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 0.00 897 R 8.20 4.78 0.00 1.92 1.90 0.00 3.14 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 898 P 0.00 4.58 0.00 2.25 2.23 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 899 S 7.45 4.64 0.00 3.94 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 0.00 900 N 8.74 4.40 0.00 2.57 2.86 0.00 0.00 7.04 7.78 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 0.00 901 L 7.81 4.62 0.00 1.71 1.94 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 902 L 9.08 4.76 0.00 1.90 1.72 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 903 L 8.45 3.94 0.00 1.15 1.41 0.25 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 904 D 8.62 4.87 0.00 2.77 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 * Residues marked with a * may have inaccurate shift predictions.