NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 667 E 4.3390 8.4029 116.7589 55.2411 32.4540 177.8448 668 D 4.4491 8.2126 120.8367 59.3871 39.6550 182.1582 669 R 4.1233 8.3415 119.4217 59.2707 30.3571 178.1689 670 L 3.9321 7.9129 119.1633 58.1819 41.8064 179.1694 671 K 3.9543 7.7545 116.8606 59.6511 32.1929 179.2029 672 I 3.9306 8.7051 118.9947 63.8129 37.7631 177.3906 673 D 4.6915 8.8034 120.4604 56.5803 40.8500 178.6915 674 V 3.7550 7.6383 119.2903 64.2367 31.1492 178.3555 675 I 3.8934 7.4079 121.4832 64.3560 36.8375 177.6727 676 D 4.4781 8.5019 120.3442 57.0267 40.3800 178.7472 677 W 4.1786 8.1793 127.4650 60.6788 31.1090 177.6898 678 L 4.0522 8.0015 118.9309 57.6949 40.8132 179.5647 679 V 3.5805 7.7332 117.1898 65.1220 31.5162 177.2722 680 F 4.2352 7.6646 120.2931 59.5787 39.3864 174.0063 681 D 4.6208 7.3840 118.8331 51.6345 41.4818 174.3818 682 P 4.0693 0.0000 0.0000 65.6720 31.3987 178.7279 683 A 4.0568 8.1282 118.6391 54.5655 18.4536 178.2683 684 Q 4.6171 8.4323 115.1688 55.7361 29.6673 177.7773 685 R 3.8243 8.0479 123.3874 59.2773 30.0155 178.0432 686 A 3.8786 7.8693 120.2114 55.2393 18.3881 179.0837 687 E 3.8343 8.1342 117.0548 59.2052 29.6684 178.7364 688 A 3.9618 8.0897 121.0623 54.8503 18.4266 179.2302 689 L 3.7940 8.4642 119.1662 58.3436 42.3032 179.3310 690 K 3.9179 8.1166 118.3477 59.7596 32.0207 179.4348 691 Q 4.1407 8.4262 118.4332 58.5377 28.5395 178.8937 692 G 3.5790 8.3367 107.2043 47.8255 0.0000 175.3817 693 N 4.3173 8.6121 119.3223 55.9855 38.6655 177.3761 694 A 3.8718 7.8358 121.6056 55.1961 18.5614 179.5445 695 I 3.3019 7.6136 118.2830 64.9661 37.1446 178.7029 696 M 4.1320 8.2878 119.5001 58.1164 31.7995 179.0473 697 R 3.8625 8.1008 118.8519 59.0439 29.6838 179.1411 698 K 3.9232 7.7299 117.7248 59.5525 32.1054 179.3296 699 F 4.6157 7.9253 117.9117 60.9085 38.8816 177.8472 700 L 4.1860 8.5644 118.6496 57.6262 41.1349 179.3999 701 A 4.1212 7.8421 119.7235 54.1336 18.2614 178.7940 702 S 4.6303 7.3555 110.7812 57.2201 63.5040 174.0541 703 K 3.8260 7.8519 119.4167 57.6321 30.1952 177.4758 704 K 4.3099 8.1267 119.8063 55.8164 29.9024 176.3369 705 H 4.3666 8.1938 120.6742 58.3441 29.0661 176.7290 706 E 3.9228 8.2094 119.8105 59.5908 29.3315 178.4626 707 A 4.1446 8.0545 119.6789 55.6701 18.1566 179.0950 708 A 4.2458 8.6888 118.5127 55.5060 18.4400 179.8509 709 K 4.1748 8.8527 120.7343 60.0668 32.0105 179.4854 710 E 4.0687 9.1539 120.0438 61.2913 29.4169 181.8711 711 V 3.9072 8.0893 118.5442 65.7244 31.4885 177.4859 712 F 4.1939 8.8832 120.8199 61.4387 38.9805 177.5880 713 V 3.7216 8.2417 111.4460 64.4039 31.4879 178.2417 714 K 4.1620 7.6323 116.9608 58.3352 31.9028 177.0627 715 I 3.8190 6.9418 119.2265 59.8224 36.9301 174.0535 716 P 4.0997 0.0000 0.0000 63.0024 31.3805 177.1985 717 Q 4.0875 8.8616 123.8683 57.7679 29.0877 176.0810 718 D 4.9913 7.7076 114.9996 53.6950 40.3283 177.8569 719 S 4.1022 8.6897 119.3619 61.9688 62.3965 176.6559 720 I 3.6361 7.6010 121.0761 64.2393 37.0691 177.6342 721 A 4.3837 8.2213 122.2081 56.0397 18.6492 179.3226 722 E 4.0912 7.9664 116.1180 61.8292 29.5848 181.5903 723 I 3.9569 7.5996 119.3116 63.0397 37.1937 176.1224 724 Y 3.8755 7.2598 117.2810 58.1119 37.7334 176.3101 *736 L 4.0860 8.1607 124.7291 53.6811 42.1301 175.3752 737 P 4.4105 0.0000 0.0000 61.7971 33.6151 176.3424 738 A 3.9673 8.5048 122.1624 55.6420 18.3786 179.8618 739 E 3.9384 8.2530 116.4159 59.9012 29.5939 179.3050 740 D 4.3271 7.9089 118.0271 56.8639 41.1874 178.0386 741 D 4.2813 8.0079 118.5793 57.5586 41.1809 178.0547 742 N 4.2872 8.6740 116.9508 56.4422 38.5342 177.3039 743 A 3.9509 8.0057 121.9477 54.8973 18.3874 179.9144 744 I 3.6640 7.6175 118.2456 64.4239 37.2336 178.4969 745 R 3.9657 7.7976 119.0596 59.5474 29.8955 177.9153 746 E 3.7412 8.3202 119.2754 59.6851 29.4880 178.3992 747 H 4.2362 8.1870 118.0890 59.3454 29.9199 177.3523 748 L 4.2685 8.2596 120.8456 57.9324 41.4398 179.2458 749 C 3.9948 8.4754 117.3701 62.8117 27.9019 176.2073 750 I 3.9993 8.0723 121.7539 64.1138 36.6758 178.4765 751 R 3.3472 8.2089 119.5570 59.1637 29.9499 178.3466 752 A 4.1002 8.4301 120.7397 55.3478 18.4044 178.9259 753 Y 3.8855 8.2684 117.8898 60.9526 38.9664 178.2564 754 L 3.9528 8.1522 119.8484 57.9057 41.6690 179.4934 755 E 3.8977 8.2718 118.2038 59.3333 29.2823 179.1581 756 A 3.8788 8.0097 120.7440 55.3559 18.3143 179.1369 757 H 4.1349 7.6751 113.8251 58.0202 29.0118 177.8513 758 E 3.9306 8.0169 121.0816 59.6559 29.0542 179.1521 759 T 3.9071 8.0198 109.8130 65.0788 68.5105 176.0299 760 F 4.0949 8.0358 123.3950 61.0101 39.3327 176.9737 761 N 4.4358 8.3039 116.3620 55.9705 38.2435 177.1360 762 E 3.9018 8.1487 120.5380 58.9513 29.7526 178.4676 763 W 3.9688 8.3361 128.6409 60.4563 30.4844 177.5653 764 F 3.7752 8.4253 120.7967 61.1389 38.5760 177.0258 765 K 3.8640 8.0560 118.1514 59.6072 32.2069 178.0051 766 H 4.1907 8.2039 118.6095 59.5443 29.5898 177.1778 767 M 4.0073 7.5058 119.4196 57.6171 31.5247 177.3167 768 N 4.7959 6.9690 115.1113 52.6417 39.2616 175.1834 769 S 4.6573 7.8470 113.9871 57.5466 63.5929 174.3827 770 V 2.0000 7.5551 120.2857 61.1661 31.2454 174.0781 771 P 4.1731 0.0000 0.0000 63.0752 31.7791 176.5783 772 Q 4.1600 8.4902 121.4892 53.8894 28.7718 173.9219 773 K 2.7667 8.4705 124.0787 54.8896 32.5884 174.3876 774 P 4.2373 0.0000 0.0000 62.0809 31.9094 176.0462 775 A 4.1350 8.3274 126.0060 51.6157 18.9591 177.3396 776 L 4.1313 8.3264 123.5740 54.7609 42.5778 177.7124 777 I 4.3297 7.6898 123.3799 57.9187 36.6459 173.1261 778 P 4.0706 0.0000 0.0000 63.9648 32.5158 176.1706 779 Q 3.3365 8.5810 118.1296 56.3403 26.1352 172.6353 780 P 4.4507 0.0000 0.0000 62.7352 32.6075 177.0678 781 T 3.9957 9.3997 115.5589 61.4304 69.3580 175.5484 782 F 4.1434 8.4058 122.8437 61.2091 38.9448 177.9829 783 T 3.9540 8.1058 114.5900 66.9239 68.2290 176.3006 784 E 4.0843 8.0410 119.7972 58.9410 29.5624 179.3445 785 K 3.9637 8.2112 119.0728 59.3578 32.1578 179.3890 786 V 3.5700 7.8642 118.2402 66.0006 31.3889 177.7715 787 A 4.0601 8.0644 120.4228 55.5602 18.1692 179.1286 788 H 4.0531 8.4504 116.6788 59.3493 30.0104 177.0391 789 E 3.9227 8.6699 120.8272 59.9129 29.3015 179.2105 790 H 4.2000 8.3173 118.1715 59.4586 28.7680 178.5847 791 K 3.9700 8.3067 125.6646 59.8657 31.6687 180.2431 792 E 4.0278 8.3508 121.2987 59.4555 29.2926 179.2820 793 K 4.2901 7.9034 117.5199 58.9274 32.1348 179.3942 794 K 3.9894 8.1994 120.3962 59.4796 32.1105 178.1708 795 Y 4.1139 8.8536 120.5180 60.9346 38.6097 178.1173 796 E 3.9504 8.2440 118.8568 59.1060 29.4428 179.1838 797 M 3.9798 7.6757 118.6747 58.7284 32.4628 177.8517 798 D 4.3682 8.4196 119.4468 57.4823 40.9596 178.7680 799 F 4.0049 8.4397 121.6453 61.0160 39.1218 177.5076 800 G 3.8027 7.8509 104.2175 47.1813 0.0000 175.8237 801 I 3.7803 7.8326 122.3097 64.0259 37.1318 177.7871 802 W 4.2153 8.0865 129.2272 60.7162 30.4898 177.9696 803 K 3.3112 8.3978 119.3701 58.6550 30.9514 179.1068 804 G 3.3983 7.8763 106.5963 47.9666 0.0000 175.5884 805 H 4.0780 7.6926 118.5145 58.2478 28.7463 177.1323 806 L 3.4973 7.5145 122.4983 58.4894 41.6473 178.8545 807 D 4.2661 7.9097 118.0726 57.1573 40.6325 178.8299 808 A 3.8974 7.4672 120.4532 55.1956 18.4271 179.6257 809 L 3.9603 7.9712 117.6142 58.3345 41.7178 180.0107 810 T 3.8888 8.7502 115.7598 66.6756 68.5238 176.6959 811 A 4.0428 8.0700 122.6389 54.8066 18.3162 179.2603 812 D 4.2778 7.8643 116.7523 57.3915 41.3698 178.9085 813 V 3.7049 7.8532 121.1150 64.0263 31.3140 178.5218 814 K 3.7115 7.9084 119.1709 59.2295 31.9075 178.7295 815 E 4.0493 8.0479 119.0490 59.2315 29.4866 179.1714 816 K 3.9097 8.0132 118.3119 59.7468 32.1428 178.9022 817 M 3.7523 7.9036 119.0599 59.0472 31.8691 178.7093 818 Y 4.2299 7.9471 116.2757 60.9271 37.9679 178.1802 819 N 4.3560 8.2786 117.7300 56.2811 38.4339 177.6381 820 V 3.7138 7.5362 118.3122 66.0217 31.7346 177.8454 821 L 4.1252 8.0249 117.6157 57.0483 42.1941 178.7720 822 L 4.5686 8.2101 118.1891 53.5679 41.5221 177.1882 823 F 4.5569 8.1464 120.4220 57.6461 40.1838 174.4633 824 V 3.7038 7.5434 121.1008 62.9334 32.2437 175.4700 825 D 4.3364 9.3019 121.2896 55.6437 37.2980 174.0413 826 G 3.9517 8.9941 106.0049 44.5881 0.0000 173.6083 827 G 4.3000 7.9275 107.0741 43.5435 0.0000 173.2303 828 W 3.7260 8.8375 130.5281 58.5592 31.4199 175.8845 829 M 2.6310 7.0475 124.0363 56.3393 29.0730 177.0776 830 V 4.2789 7.0112 116.0876 60.6095 34.2743 174.6391 831 D 4.4304 8.5623 127.3531 54.4965 41.2112 176.7352 832 V 3.7041 8.4038 123.4216 64.4504 32.0120 175.5985 833 R 4.3889 7.5423 122.4775 55.3279 30.3023 176.1493 834 E 4.3360 8.7143 121.1584 56.5631 30.2734 172.7156 835 D 4.6972 7.8807 115.9649 54.0220 39.9002 176.5436 836 A 4.2104 7.5884 122.7685 51.6530 19.0946 177.8217 837 K 4.1380 8.7747 121.9569 56.6797 33.3511 177.7623 838 E 3.8501 8.5871 116.0938 56.9010 29.9806 178.1407 839 D 4.6509 8.1732 122.3013 50.7201 42.0305 174.9371 840 H 4.3136 8.4315 122.6648 58.1971 28.8016 176.9258 841 E 3.9016 8.1768 120.0805 59.3580 29.4105 178.9044 842 R 3.8210 8.0246 118.2910 59.9996 29.8109 178.6772 843 T 3.7689 7.9495 115.2830 66.8054 68.3938 176.1536 844 H 4.3395 8.2602 117.6223 57.9546 28.8487 177.7192 845 Q 3.9735 8.3701 120.7057 59.3383 28.5310 178.8009 846 M 3.8897 8.1758 119.7413 58.1579 31.8006 178.9940 847 V 3.6209 7.4965 118.1628 65.3524 31.6011 178.0380 848 L 3.9010 7.7569 120.4387 58.0937 42.0090 178.6704 849 L 3.9801 8.0938 119.2857 58.1296 41.6945 179.8121 850 R 4.2072 8.0436 117.7583 59.3422 29.7856 179.1688 851 K 4.0470 7.6844 116.8560 58.5030 32.1508 178.6161 852 L 4.3355 7.6622 118.2056 56.0084 42.2931 177.6226 853 C 4.6037 7.9084 115.8030 61.0068 29.4955 176.2820 854 L 3.7874 7.6001 120.0705 57.3411 41.1927 177.8259 855 P 3.4487 0.0000 0.0000 65.0314 31.0953 178.2586 856 M 4.1281 7.8384 116.7806 58.7990 32.0959 178.1679 857 L 3.7543 7.8768 119.0379 57.8308 41.7108 179.0262 858 C 3.8469 8.0842 118.8076 62.3773 31.3856 175.7801 859 F 4.4368 8.0770 119.6771 60.4519 38.4676 177.4133 860 L 3.8335 8.1802 119.1039 57.8302 41.3251 179.2141 861 L 3.6790 8.2724 120.5211 58.5370 41.8416 178.4591 862 H 4.1008 8.3762 117.9493 59.6421 29.7851 177.1741 863 T 3.9801 8.2141 117.5282 66.7616 67.9040 176.5976 864 I 3.2355 7.8281 121.7042 64.2437 37.0215 178.5310 865 L 3.9286 7.9842 120.0108 58.0947 41.3096 179.1576 866 H 4.1267 8.4525 118.3643 59.2320 29.6050 177.5278 867 S 4.4682 8.4111 116.4675 60.6063 62.6546 175.1033 868 T 4.4717 7.3233 109.7808 61.0693 68.6511 174.7975 869 G 3.1022 7.3629 107.8474 47.2709 0.0000 175.8634 870 Q 4.2616 7.6259 119.4407 55.1920 26.5093 176.8450 871 Y 4.2930 7.1044 119.8894 61.1658 38.2188 178.3278 872 Q 3.9943 8.0232 119.5220 59.1960 29.4474 177.4388 873 E 4.6751 8.0716 121.1602 58.6912 29.6048 178.1675 874 C 4.1700 7.9483 116.7089 63.1562 28.3201 176.3028 875 L 4.0893 7.9013 119.6660 57.5435 41.3257 178.9079 876 Q 4.3168 7.8585 116.8949 57.2140 28.7374 177.9758 877 L 4.1300 8.2522 121.1572 57.4753 41.5356 179.0594 878 A 4.0212 7.9805 121.1192 54.8802 18.2119 179.2887 879 D 4.2573 7.9767 117.1559 57.8442 40.8234 178.2428 880 M 4.0356 7.7537 117.2549 58.9861 32.5901 178.1928 881 V 3.8236 8.0181 118.3328 65.1448 31.5183 177.2928 882 S 4.5826 7.6859 111.3504 57.7667 64.0192 174.5217 883 S 4.2558 7.6816 118.9667 58.5869 62.6197 174.8955 884 E 4.1547 8.8087 126.3801 59.0345 29.7845 178.4186 885 R 3.9855 7.9866 118.8317 59.3244 30.0536 176.9710 886 H 4.7420 8.1166 111.1317 54.7385 30.5774 174.5598 887 K 3.7212 8.3457 118.6454 56.8877 30.2255 177.3589 888 L 4.1109 8.0658 119.8058 57.9752 42.2194 179.5217 889 Y 4.1719 8.0426 116.7203 59.8223 37.8072 178.4508 890 L 4.0471 6.9961 119.3795 56.7335 41.6593 177.7744 891 V 4.1247 7.8774 116.7998 62.6379 32.0833 175.3083 892 F 4.7641 7.9923 118.3298 56.7131 40.4603 176.4966 893 S 4.5713 9.0128 119.8903 57.8020 65.2140 175.6837 894 K 4.0322 8.6199 121.8395 59.7001 31.7650 179.2214 895 E 4.0181 8.1865 119.1508 59.3641 29.6090 178.5903 896 E 4.3224 8.3662 118.3811 59.4214 29.4631 179.2984 897 L 3.9961 8.2876 119.2767 57.8117 41.5466 179.7614 898 R 3.9528 8.1995 118.2298 59.0014 29.8915 179.0124 899 K 3.9790 8.2153 119.6479 59.2190 32.1918 178.6442 900 L 4.1852 8.4730 120.8804 58.2922 41.9800 178.8636 901 L 3.9961 8.1592 119.0231 58.1035 41.6068 179.5876 902 Q 4.0157 8.4172 118.0594 58.9453 28.2908 179.1568 903 K 4.0254 8.4851 119.8939 59.3816 31.9765 179.4535 904 L 4.0991 8.1512 119.4171 57.6468 41.5292 179.1968 905 R 3.8974 8.3081 119.0395 59.8415 29.4741 178.2793 906 E 4.0273 8.0422 117.5184 59.5236 29.3884 179.7227 907 S 4.2909 7.9085 114.9604 61.5532 62.9316 176.4106 908 S 4.3357 8.1633 119.4638 61.1065 62.6606 176.8052 909 L 3.9235 7.9786 121.1736 58.2757 41.0291 179.4619 910 M 3.8472 7.5357 117.2064 58.3414 32.0162 178.3134 911 L 4.1777 7.5696 119.3284 57.4441 41.6885 179.3003 912 L 4.2728 8.0789 120.7441 57.3592 41.4136 178.9760 913 D 4.4851 7.9014 116.6271 56.0584 40.7997 177.5016 914 Q 4.5072 7.3083 117.8124 55.0736 29.2631 176.1269 915 G 3.8369 8.0672 108.4452 45.7760 0.0000 173.4599 916 L 4.5559 7.5461 120.2787 52.4710 43.8446 175.6285 917 D 4.6605 8.7530 120.4724 51.8670 40.2189 175.6547 918 P 4.2751 0.0000 0.0000 65.1492 31.2748 178.0062 919 L 4.6257 8.3333 115.6936 54.3549 41.7926 177.3243 920 G 3.9090 8.6345 108.4133 45.3148 0.0000 173.8815 921 Y 4.2890 8.0651 117.9717 56.9758 38.7640 175.0489 922 E 4.2344 8.6714 122.5243 56.6490 30.0898 177.3344 923 I 3.9925 8.3463 126.3590 61.4511 36.7667 176.7883 924 Q 4.2260 8.5474 123.1337 55.0823 28.0740 172.8531 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 667 E 8.40 4.34 0.00 1.91 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 2.21 1.88 0.00 668 D 8.21 4.45 0.00 2.75 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 0.00 669 R 8.34 4.12 0.00 1.83 2.07 0.00 3.31 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 670 L 7.91 3.93 0.00 1.75 1.97 0.89 0.47 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 0.00 671 K 7.75 3.95 0.00 2.02 1.77 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.53 7.81 672 I 8.71 3.93 2.16 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 1.13 0.00 0.00 673 D 8.80 4.69 0.00 2.94 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 0.00 674 V 7.64 3.75 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 0.99 0.00 0.00 0.93 0.00 0.00 675 I 7.41 3.89 2.11 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 1.55 0.82 0.96 0.00 0.00 676 D 8.50 4.48 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 677 W 8.18 4.18 0.00 3.40 3.35 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 0.00 678 L 8.00 4.05 0.00 1.76 1.74 1.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 679 V 7.73 3.58 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 0.77 0.00 0.00 1.00 0.00 0.00 680 F 7.66 4.24 0.00 3.06 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 0.00 681 D 7.38 4.62 0.00 2.85 2.42 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 0.00 682 P 0.00 4.07 0.00 2.14 2.03 0.00 3.55 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 683 A 8.13 4.06 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 0.00 684 Q 8.43 4.62 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 685 R 8.05 3.82 0.00 2.01 1.85 0.00 3.08 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 686 A 7.87 3.88 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 0.00 687 E 8.13 3.83 0.00 2.08 2.10 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 1.55 0.00 0.00 864 I 7.83 3.24 1.67 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.40 0.38 0.00 0.00 865 L 7.98 3.93 0.00 1.63 1.83 0.97 1.28 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 0.00 866 H 8.45 4.13 0.00 3.18 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 867 S 8.41 4.47 0.00 4.41 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 0.00 868 T 7.32 4.47 4.28 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 1.51 0.00 0.00 869 G 7.36 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 870 Q 7.63 4.26 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.05 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 871 Y 7.10 4.29 0.00 3.11 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 0.00 872 Q 8.02 3.99 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.10 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 873 E 8.07 4.68 0.00 2.09 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 0.00 2.50 2.33 0.00 874 C 7.95 4.17 0.00 3.44 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 875 L 7.90 4.09 0.00 1.89 1.80 1.12 1.39 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 0.00 876 Q 7.86 4.32 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 877 L 8.25 4.13 0.00 1.81 1.74 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 878 A 7.98 4.02 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 0.00 879 D 7.98 4.26 0.00 2.95 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 0.00 880 M 7.75 4.04 0.00 2.24 2.20 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 2.69 2.63 0.00 881 V 8.02 3.82 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 0.50 0.00 0.00 0.84 0.00 0.00 882 S 7.69 4.58 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 S 7.68 4.26 0.00 4.09 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 884 E 8.81 4.15 0.00 2.05 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 2.39 2.30 0.00 885 R 7.99 3.99 0.00 1.76 1.83 0.00 3.19 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.50 0.00 886 H 8.12 4.74 0.00 3.20 3.39 0.00 6.10 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 887 K 8.35 3.72 0.00 1.84 1.52 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.36 1.62 7.81 888 L 8.07 4.11 0.00 1.99 1.94 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 889 Y 8.04 4.17 0.00 3.11 3.26 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 0.00 0.00 0.00 0.00 890 L 7.00 4.05 0.00 1.62 1.70 0.77 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 891 V 7.88 4.12 2.31 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 0.69 0.00 0.00 0.94 0.00 0.00 892 F 7.99 4.76 0.00 3.21 3.03 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 0.00 0.00 0.00 893 S 9.01 4.57 0.00 4.11 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 0.00 894 K 8.62 4.03 0.00 1.87 1.95 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.55 7.81 895 E 8.19 4.02 0.00 2.08 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 2.43 2.44 0.00 896 E 8.37 4.32 0.00 2.53 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 897 L 8.29 4.00 0.00 1.94 1.70 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 898 R 8.20 3.95 0.00 2.11 2.01 0.00 3.16 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 899 K 8.22 3.98 0.00 1.93 2.16 0.00 1.42 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 1.37 7.81 900 L 8.47 4.19 0.00 1.95 1.83 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 901 L 8.16 4.00 0.00 1.87 1.72 0.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 902 Q 8.42 4.02 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 903 K 8.49 4.03 0.00 1.90 1.50 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.61 7.81 904 L 8.15 4.10 0.00 1.85 1.77 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 905 R 8.31 3.90 0.00 1.88 2.17 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 906 E 8.04 4.03 0.00 2.26 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 2.58 2.53 0.00 907 S 7.91 4.29 0.00 4.22 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 0.00 908 S 8.16 4.34 0.00 4.08 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 0.00 909 L 7.98 3.92 0.00 1.81 1.70 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 910 M 7.54 3.85 0.00 0.51 1.34 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.08 0.00 911 L 7.57 4.18 0.00 1.92 1.82 1.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 912 L 8.08 4.27 0.00 1.80 1.71 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 913 D 7.90 4.49 0.00 2.77 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 0.00 914 Q 7.31 4.51 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.13 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 915 G 8.07 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 916 L 7.55 4.56 0.00 1.89 1.76 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 917 D 8.75 4.66 0.00 2.84 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 0.00 918 P 0.00 4.28 0.00 2.24 2.18 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 919 L 8.33 4.63 0.00 1.85 2.06 0.99 1.02 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 0.00 920 G 8.63 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 921 Y 8.07 4.29 0.00 3.16 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 0.00 922 E 8.67 4.23 0.00 2.01 1.93 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 2.35 2.32 0.00 923 I 8.35 3.99 1.89 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 1.31 0.66 0.93 0.00 0.00 924 Q 8.55 4.23 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.26 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.