NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 683 L 4.3321 8.1849 120.7681 53.8809 43.5009 176.9019 684 I 3.9419 7.6521 118.5998 59.7492 37.9169 173.9092 685 P 4.3725 0.0000 0.0000 62.3226 33.9953 175.4613 686 P 4.2708 0.0000 0.0000 65.6433 31.2990 178.9212 687 L 3.9576 7.8747 118.7517 58.1474 41.9256 178.9958 688 I 3.8355 7.7009 119.4840 64.3195 37.1489 177.8918 689 N 4.3514 8.1939 117.4205 56.1185 38.2942 177.2393 690 L 3.9876 8.1870 122.0307 58.1175 42.0031 178.9204 691 L 4.1132 8.1248 118.1983 58.1943 41.7599 178.9040 692 M 4.2531 8.4470 118.5368 58.6526 31.9589 178.4009 693 S 4.3109 8.0885 113.7060 60.3417 63.3020 175.3886 694 I 4.3708 7.2728 114.0899 59.7207 38.1999 175.6304 695 E 4.1090 7.5493 121.0333 55.9224 29.8525 175.2505 696 P 4.4790 0.0000 0.0000 62.7628 32.0367 175.6110 697 D 4.6959 8.3938 122.0266 53.4236 42.2164 177.2488 698 V 3.6716 8.2094 116.8002 61.6729 31.7579 172.6657 699 I 4.6351 8.0165 123.8857 58.9426 40.0031 174.8081 700 Y 4.5858 8.4990 121.8895 56.7335 39.2460 175.8195 701 A 4.1069 9.3222 126.2728 53.1129 18.8052 178.6228 702 G 3.9040 8.4335 103.2135 46.7923 0.0000 173.3187 703 H 4.2663 8.3422 118.3599 55.2919 30.8874 174.6732 704 D 4.5124 7.9492 125.5646 53.3726 40.0564 175.7569 705 N 4.7257 8.6096 125.0137 54.3122 38.8295 177.4909 706 T 4.0060 8.6534 115.6921 63.2971 68.7905 180.1404 707 K 4.7116 7.1019 120.1254 51.8205 33.9393 177.5750 708 P 4.4690 0.0000 0.0000 62.5914 31.8984 176.5161 709 D 4.5392 8.5337 121.7849 54.6836 41.5450 176.4657 710 T 4.7817 8.2421 112.8328 59.2580 73.1526 175.4394 711 S 4.2737 8.5825 117.2110 61.7639 62.9356 176.8155 712 S 4.1864 8.0482 117.6910 61.1130 62.9157 176.4923 713 S 4.0974 8.2015 118.0369 60.9613 62.7348 176.2708 714 L 3.8941 8.1770 124.1025 57.9417 41.8446 179.0079 715 L 3.8365 8.0306 118.9224 58.0035 41.4320 179.6890 716 T 3.7026 8.0753 115.9058 66.7025 68.2840 177.0450 717 S 4.1182 8.3136 117.2274 61.3691 62.8209 176.6967 718 L 3.8176 8.0571 122.1275 57.7753 41.2448 179.3080 719 N 4.3347 8.2483 116.7164 56.0505 38.3735 177.2248 720 Q 3.9125 8.1988 121.2200 59.0616 29.1678 178.1267 721 L 4.0420 8.2495 121.6831 58.0984 42.1610 178.8072 722 G 3.9011 8.5672 106.0822 48.0815 0.0000 175.0533 723 E 3.8848 8.2296 121.7640 59.0369 29.7113 179.0547 724 R 3.9716 7.9713 118.0575 59.5423 30.1294 179.1714 725 Q 4.0946 8.6974 118.2010 58.6169 28.6098 178.5116 726 L 4.0061 8.4362 121.9594 58.2037 42.1860 178.9251 727 L 4.0119 8.0667 118.9453 57.9927 41.4436 179.5803 728 S 4.1891 8.1731 113.0843 61.1966 62.2621 176.2330 729 V 3.7632 8.3468 121.5395 66.1009 31.2185 178.1502 730 V 3.6759 8.1045 117.9708 65.9462 31.1677 177.9362 731 K 4.0037 8.0413 118.1218 59.2513 32.3615 178.0656 732 W 4.4435 8.7109 129.3252 60.7286 30.3292 178.1041 733 S 3.3104 8.4943 114.0519 60.9081 62.1603 176.5482 734 K 4.0903 7.7542 120.9811 58.5844 31.8454 177.8130 735 S 4.4699 7.6799 113.2201 58.3093 63.9664 173.9729 736 L 3.8038 7.0898 123.9005 53.5257 41.7307 174.2973 737 P 4.4275 0.0000 0.0000 64.5015 31.7440 175.6954 738 G 4.1873 9.0747 111.1278 45.6851 0.0000 175.3066 739 F 4.1427 8.3390 122.1028 61.0917 39.4128 177.2638 740 R 4.1105 8.0167 114.9726 58.3614 29.2496 176.7520 741 N 4.5721 7.6193 114.8436 53.8182 39.0709 175.4884 742 L 4.1803 7.3651 118.6101 53.9492 42.6286 176.8373 743 H 4.0038 8.8841 120.7142 56.8298 31.5564 176.3687 744 I 3.6300 8.1100 127.0234 64.7864 36.9662 178.4333 745 D 4.3482 8.4040 119.1241 57.3935 40.5981 178.4334 746 D 4.2279 7.9391 118.9547 57.3228 40.9204 178.5685 747 Q 3.6789 7.8999 118.5008 58.9232 28.5853 178.9787 748 I 3.7629 7.8734 120.7808 64.6889 37.0518 178.6321 749 T 3.5531 7.8871 116.4637 66.4764 68.2128 176.7175 750 L 3.9928 8.1801 121.1926 57.8543 41.6084 179.6597 751 I 3.8700 8.0726 119.6855 64.7062 36.8856 178.5817 752 Q 4.3236 8.2106 117.7313 59.2310 28.5481 178.1724 753 Y 4.6489 8.3394 117.7869 60.0547 38.1117 177.0581 754 S 4.6783 8.2918 113.2207 57.7474 63.7832 175.8038 755 W 4.4239 8.0709 121.6341 60.4045 27.6009 177.8087 756 M 3.5300 6.5339 118.4243 57.9945 31.5061 178.1437 757 S 4.0297 7.7102 114.7081 61.6219 63.0936 176.4818 758 L 3.9996 8.0851 121.6819 58.0661 41.2817 179.6052 759 M 4.2100 8.5250 119.1824 58.4966 32.0148 179.2666 760 V 3.7376 8.2220 119.5854 64.6102 31.6985 178.2376 761 F 4.4958 8.7945 121.8786 61.1087 39.1663 177.4382 762 G 3.8951 8.5847 105.6896 47.6097 0.0000 175.5152 763 L 4.1269 8.4486 123.0067 57.8209 41.9815 179.3845 764 G 3.4030 8.1525 105.7527 47.3787 0.0000 175.5283 765 W 4.1342 8.4320 131.1327 60.2983 30.6739 178.2782 766 R 3.6245 8.3919 118.3946 59.3072 29.4774 179.3383 767 S 4.1163 8.1995 114.9908 61.5699 62.3923 175.9623 768 Y 4.2748 8.2839 122.6821 60.7577 38.2877 178.2876 769 K 3.3743 7.4997 118.0086 58.1976 32.2599 178.0690 770 H 4.5694 7.6541 114.8511 55.9692 29.8194 175.7267 771 V 4.4623 6.9726 112.9738 61.1754 32.8727 175.5303 772 S 3.8817 8.7660 111.7621 58.2938 60.3604 173.6278 773 G 4.0239 8.5926 106.0854 46.3097 0.0000 174.8743 774 Q 5.0473 8.4257 117.1054 55.8488 28.9386 174.7634 775 M 4.5821 7.6297 116.3178 53.7789 36.8459 174.4097 776 L 3.9839 8.4911 121.1450 54.0695 43.0151 176.0586 777 Y 4.2426 8.5777 128.9454 56.1580 36.7777 175.9783 778 F 4.2160 8.2260 121.5154 59.8119 39.9213 175.2175 779 A 4.5648 7.6890 120.9767 50.3793 22.2085 175.2427 780 P 3.9105 0.0000 0.0000 64.2529 31.4209 177.5582 781 D 4.9149 8.0313 115.2344 52.8188 39.8767 176.7616 782 L 4.6405 7.8319 123.1457 53.6954 42.9242 173.0627 783 I 4.8370 7.8503 121.7606 58.7490 40.0714 174.5991 784 L 4.6808 8.7865 127.2062 52.7771 44.1965 176.6152 785 N 4.6176 8.4268 122.8315 51.8562 40.1311 175.1798 786 E 3.6549 8.3814 119.4543 59.2253 29.6234 178.2677 787 Q 3.8024 7.9770 119.4135 59.0833 28.9427 178.0930 788 R 3.8051 8.1790 118.9928 59.4519 30.4923 178.0542 789 M 4.0739 8.1655 121.1488 58.9256 31.7460 179.5228 790 K 3.0094 7.7375 122.8488 58.9974 31.8082 179.8465 791 E 4.4868 7.5125 116.3536 56.6453 29.6179 178.1621 792 S 3.9638 7.3316 116.0413 59.4529 63.2296 175.2798 793 S 4.6227 9.1575 115.3502 57.8033 61.5479 168.6394 794 F 5.1222 7.7547 116.7978 54.9053 37.9885 175.4733 795 Y 4.3201 8.3041 123.9327 62.1261 38.9030 176.7294 796 S 3.9856 8.1731 113.3734 61.2261 62.5271 175.7348 797 L 3.9641 7.9296 122.6631 58.1300 41.8569 178.4767 798 C 4.2510 8.4543 116.9023 62.9145 27.8748 175.9609 799 L 4.2136 8.3217 120.8403 58.3095 40.9584 179.7439 800 T 4.1515 7.7419 115.7988 66.4869 68.6713 176.3089 801 M 4.2376 8.2396 120.5669 57.8990 31.9151 178.4552 802 W 4.4563 8.6600 128.5456 59.8738 30.8916 177.8234 803 Q 3.8696 7.8548 118.1976 59.0565 28.0337 178.9215 804 I 3.5106 7.6408 121.0267 63.7453 37.1454 176.6928 805 P 3.9008 0.0000 0.0000 65.9110 30.9813 178.3521 806 Q 3.8120 7.6415 117.9019 58.6933 28.4817 178.4750 807 E 3.9428 8.0032 119.7208 59.1908 29.4086 179.3553 808 F 4.3521 7.7759 118.1227 60.3332 38.5956 177.8674 809 V 3.4510 7.3913 117.0793 65.8346 31.4543 177.6483 810 K 4.0387 7.8252 117.9928 59.3406 32.1754 178.0626 811 L 4.2825 8.1797 118.9111 54.7771 43.0525 177.0383 812 Q 3.7627 7.7414 116.4452 54.4054 25.6903 180.1496 813 V 3.8898 7.4245 118.5632 63.3638 32.7239 176.1552 814 S 4.7824 9.0245 122.3042 57.4579 65.6181 175.1144 815 Q 3.7176 8.7584 122.8397 59.5043 28.6448 178.4695 816 E 3.9731 8.1199 119.0431 59.3966 29.5143 179.0348 817 E 3.9621 8.3042 118.6902 59.2750 29.4533 179.1096 818 F 3.9768 8.2997 121.1125 61.1830 39.1123 177.1781 819 L 3.5976 7.9826 118.7228 57.9271 41.4061 179.3613 820 C 4.2422 7.8962 116.4245 62.9021 28.0869 175.9617 821 M 3.9167 8.2802 120.7976 58.1969 31.6092 178.6927 822 K 3.5428 7.9477 119.9884 59.2494 32.2192 179.0380 823 V 3.6403 7.4589 118.6338 66.0180 31.1551 178.0597 824 L 4.0775 7.5947 117.5979 57.5397 41.5285 179.2411 825 L 4.0263 7.6783 119.2446 57.6856 41.3289 179.0862 826 L 4.1808 7.5524 120.0711 56.6147 41.9005 177.9420 827 L 5.0832 7.4474 117.0585 54.5628 43.2153 176.3898 828 N 4.8330 7.9958 116.4667 53.9424 39.4650 174.1108 829 T 5.2894 7.7201 113.0168 62.9066 72.7944 172.8374 830 I 4.8468 8.7299 118.4566 58.2057 41.7558 172.9611 831 P 4.7864 0.0000 0.0000 62.2049 32.0570 177.8324 832 L 3.9277 8.6780 121.8005 57.9137 41.5956 178.3246 833 E 4.1317 8.1418 113.3227 55.8907 29.9537 176.9545 834 G 3.8437 8.1246 107.3057 45.3994 0.0000 172.9089 835 L 4.4596 8.5810 118.9322 53.0946 43.0936 177.8641 836 R 3.9828 9.0383 120.2521 59.0179 30.5784 179.1367 837 S 4.7641 8.6570 115.2495 57.7215 61.3617 175.5901 838 Q 4.0184 7.8092 125.1082 59.6195 29.3562 177.0542 839 T 3.8947 7.8955 116.1207 66.9715 68.5891 176.4779 840 Q 4.0537 8.1095 119.3386 58.7767 28.7542 178.5179 841 F 4.1313 8.5770 122.0140 61.3433 39.3935 176.8081 842 E 3.8396 8.6751 119.1692 59.3001 29.4184 178.5916 843 E 3.9177 8.2731 118.6664 59.4435 29.5029 179.1273 844 M 3.9829 8.1453 118.2847 58.6681 32.4458 178.1562 845 R 3.8667 8.0319 119.1819 59.6908 30.0618 178.6581 846 S 4.1937 8.3122 115.1471 61.5330 62.7507 176.8526 847 S 3.9981 8.0294 117.9895 61.8962 62.5251 176.4228 848 Y 3.9574 8.0451 119.1705 60.7149 37.5494 178.4965 849 I 3.8932 7.9442 121.1841 64.5105 37.3580 178.5889 850 R 3.9625 8.3157 119.1666 59.1782 29.7587 178.7690 851 E 3.9621 8.2894 119.3421 58.8939 29.5139 178.5142 852 L 4.0052 8.2551 120.7156 58.2905 42.1859 179.0383 853 I 3.7985 7.9622 119.7165 64.3549 36.7612 178.6173 854 K 4.0022 7.7892 118.1248 59.2728 32.1624 178.9130 855 A 4.1655 8.3692 121.5199 55.3296 18.2361 179.7646 856 I 3.9762 8.2011 118.6786 64.4759 35.7412 178.8772 857 G 3.6560 8.2003 106.2806 47.4021 0.0000 175.6225 858 L 4.2774 7.5926 120.0922 57.0341 41.6046 178.0896 859 R 4.4963 7.3418 113.3583 56.7607 32.6604 176.2364 860 Q 4.2140 8.1952 115.9433 55.0849 29.8411 176.0390 *862 G 3.7643 8.1983 105.3281 44.5468 0.0000 174.5200 863 V 3.6357 8.1219 117.2286 64.4101 31.7821 179.5215 864 V 3.6587 7.6753 111.6531 64.3217 31.4614 178.3534 865 S 4.1326 8.0726 112.7045 61.4589 62.2612 176.2566 866 S 4.1503 8.3307 117.0834 61.4316 62.8038 176.4374 867 S 4.1940 8.3935 119.2497 61.9326 62.1604 176.8287 868 Q 4.1623 8.7578 123.7517 60.2005 27.8138 180.2919 869 R 4.4101 8.4080 121.9488 58.7170 30.1104 178.2546 870 F 4.0485 8.4864 120.6511 61.4417 39.3569 176.2884 871 Y 3.9589 8.1954 118.8554 60.9691 38.1489 178.2828 872 Q 3.9465 8.3442 118.7754 59.0430 28.8491 178.9157 873 L 4.0016 7.9016 120.1747 57.7080 41.6213 179.5880 874 T 3.1278 7.2647 109.8844 64.1580 68.5365 176.7189 875 K 3.7237 7.9455 122.9172 58.9178 31.9011 178.3283 876 L 3.9091 7.6956 119.8410 58.2723 42.3776 178.6911 877 L 4.0518 7.6838 118.5700 57.9338 41.4000 179.1287 878 D 4.5015 8.3217 118.8941 57.7357 40.7573 178.8241 879 N 4.4201 8.6427 116.7515 55.8189 38.4073 177.4672 880 L 4.0956 7.7165 120.4871 57.6986 41.6604 178.6786 881 H 4.0561 7.8229 116.4527 59.4272 28.4665 177.3503 882 D 4.3958 7.5676 117.5966 56.9832 40.8034 178.3227 883 L 4.0661 7.7854 120.5430 58.2187 42.2763 179.1007 884 V 3.4595 8.1671 118.5071 65.5367 31.3467 177.8337 885 K 3.9926 7.7794 119.2675 59.5151 32.0073 178.7083 886 Q 4.0601 7.8447 118.4492 59.0338 28.5463 178.8983 887 L 4.0561 7.7294 119.4801 57.9384 41.6430 179.0132 888 H 4.2396 8.6650 116.5786 58.8573 28.6218 177.6061 889 L 3.9721 8.0851 122.0194 58.2523 41.9126 178.2576 890 Y 3.9529 8.0708 119.4670 60.8297 38.6850 177.6362 891 C 4.3721 8.6792 119.8797 62.6237 31.6676 175.2991 892 L 3.9904 8.2890 122.0972 58.2085 41.6281 178.6742 893 N 4.3104 8.4034 116.5532 56.6242 38.2580 177.4153 894 T 3.8341 7.7230 115.9988 66.5442 68.8841 176.0990 895 F 3.5901 8.4669 122.7489 61.2751 39.1964 177.1875 896 I 3.6157 7.8712 118.1860 64.0114 37.1945 177.4872 897 Q 4.4188 8.0380 116.9256 55.6765 28.6379 177.4170 898 S 4.2324 7.6830 118.3809 61.9561 62.7503 176.9685 899 R 3.8534 7.8740 120.7110 58.8622 29.6946 178.6897 900 A 4.0011 7.8884 119.9937 55.0731 18.5056 178.2328 901 L 4.2233 7.9069 113.2135 54.9173 42.1471 176.8317 902 S 3.7488 7.5826 113.3904 59.7801 60.5519 171.6634 903 V 4.2886 8.0145 119.2189 60.9202 33.2568 173.9968 904 E 4.6362 8.2963 127.4450 54.4439 31.0377 174.8737 905 F 4.6976 8.6147 123.6766 54.8383 41.2457 174.3067 906 P 4.6037 0.0000 0.0000 61.7271 33.4006 176.8885 907 E 3.9458 8.5823 118.0874 60.2361 29.5028 178.5903 908 M 4.0757 8.8619 119.0385 58.3640 31.9912 178.7282 909 M 3.6734 8.8555 119.2613 58.5303 32.1001 178.9068 910 S 4.0771 8.5818 117.9837 62.2009 62.9059 177.3557 911 E 3.9436 8.1145 120.9221 61.2936 29.3616 181.8404 912 V 3.8245 7.8200 113.6849 63.7363 31.4774 178.9822 913 I 3.6955 7.4531 119.6074 64.2975 36.6936 178.1927 914 A 3.8750 7.6132 120.0703 55.1411 18.2489 179.1985 915 A 4.1447 8.0335 118.4811 54.9879 18.7429 178.4557 916 Q 4.5843 8.1066 112.6089 54.8536 32.1300 177.3772 917 L 3.9851 8.3529 118.8101 57.2687 41.5178 177.5548 918 P 4.2236 0.0000 0.0000 65.3650 31.3242 178.5766 919 K 3.9397 7.9708 118.0412 59.4920 32.1873 178.8068 920 I 3.5573 8.1195 120.5637 64.3742 36.7801 178.4895 921 L 3.9948 8.0288 118.8423 57.4271 41.5309 178.8140 922 A 4.2143 8.0489 119.0486 52.3874 18.3063 177.8979 923 G 3.7913 7.7394 105.0837 46.6969 0.0000 174.2289 924 M 4.4470 7.6967 117.6555 54.4153 31.9813 175.6303 925 V 4.3912 7.1522 109.8060 60.1781 37.0344 175.4460 926 K 4.3545 8.9590 123.2769 54.0486 33.4908 173.2232 927 P 4.6541 0.0000 0.0000 62.3471 32.1366 176.0026 928 L 4.4429 8.7921 124.9029 53.5644 42.5224 176.2845 929 L 4.8346 8.2700 123.3299 52.9708 44.2419 176.6564 930 F 4.3802 9.5259 120.4843 59.5057 39.3361 175.5058 931 H 5.0791 8.1278 117.7395 54.2202 32.8822 173.8325 932 K 4.1809 8.7069 124.9688 54.9250 32.2110 178.4318 933 K 4.2985 8.6097 122.7628 54.4540 31.5928 175.8107 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 683 L 8.18 4.33 0.00 1.68 1.66 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 684 I 7.65 3.94 2.05 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 1.43 0.59 0.93 0.00 0.00 685 P 0.00 4.37 0.00 2.30 1.97 0.00 3.61 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 686 P 0.00 4.27 0.00 2.15 2.10 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 687 L 7.87 3.96 0.00 1.70 1.86 0.95 0.61 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 0.00 688 I 7.70 3.84 2.05 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 1.68 0.70 0.94 0.00 0.00 689 N 8.19 4.35 0.00 2.97 2.89 0.00 0.00 6.64 6.75 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 0.00 690 L 8.19 3.99 0.00 1.82 1.90 0.94 0.98 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 0.00 691 L 8.12 4.11 0.00 1.91 1.83 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 692 M 8.45 4.25 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 693 S 8.09 4.31 0.00 4.13 4.03 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 0.00 694 I 7.27 4.37 2.03 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.04 0.97 0.00 0.00 695 E 7.55 4.11 0.00 2.14 1.98 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 2.64 2.48 0.00 696 P 0.00 4.48 0.00 2.20 2.10 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 697 D 8.39 4.70 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 698 V 8.21 3.67 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 0.75 0.00 0.00 0.93 0.00 0.00 699 I 8.02 4.64 1.89 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 1.46 1.32 0.97 0.00 0.00 700 Y 8.50 4.59 0.00 3.00 3.04 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 0.00 0.00 0.00 701 A 9.32 4.11 1.34 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 0.00 0.00 702 G 8.43 3.90 0.00 0.00 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2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 869 R 8.41 4.41 0.00 1.95 2.21 0.00 3.33 0.00 0.00 3.56 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 870 F 8.49 4.05 0.00 3.20 3.30 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 0.00 871 Y 8.20 3.96 0.00 3.30 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 0.00 872 Q 8.34 3.95 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.50 2.77 0.00 873 L 7.90 4.00 0.00 1.47 1.57 0.99 0.53 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 T 7.26 3.13 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 -0.45 0.00 0.00 875 K 7.95 3.72 0.00 1.04 1.62 0.00 1.48 0.00 0.00 1.41 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.30 1.39 7.81 876 L 7.70 3.91 0.00 1.79 1.92 1.10 1.55 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 0.00 877 L 7.68 4.05 0.00 1.86 1.70 0.66 0.78 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 0.00 878 D 8.32 4.50 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 879 N 8.64 4.42 0.00 2.83 2.86 0.00 0.00 7.07 6.41 0.00 0.00 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 7.72 4.10 0.00 1.82 1.64 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 881 H 7.82 4.06 0.00 3.35 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 882 D 7.57 4.40 0.00 2.81 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 0.00 883 L 7.79 4.07 0.00 1.69 1.79 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 884 V 8.17 3.46 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 0.42 0.00 0.00 0.88 0.00 0.00 885 K 7.78 3.99 0.00 1.99 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 886 Q 7.84 4.06 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 887 L 7.73 4.06 0.00 1.70 1.68 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 888 H 8.67 4.24 0.00 3.30 3.27 0.00 5.64 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 0.00 889 L 8.09 3.97 0.00 1.82 1.89 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 890 Y 8.07 3.95 0.00 3.21 3.09 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 0.00 0.00 0.00 891 C 8.68 4.37 0.00 3.35 3.33 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 0.00 892 L 8.29 3.99 0.00 1.88 1.68 0.93 0.98 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 0.00 893 N 8.40 4.31 0.00 2.85 2.74 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 894 T 7.72 3.83 4.65 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 1.42 0.00 0.00 895 F 8.47 3.59 0.00 2.60 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 0.00 896 I 7.87 3.62 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 0.89 0.00 0.00 897 Q 8.04 4.42 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 898 S 7.68 4.23 0.00 4.49 4.43 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 0.00 899 R 7.87 3.85 0.00 1.83 1.99 0.00 3.06 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 900 A 7.89 4.00 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 0.00 901 L 7.91 4.22 0.00 1.69 1.75 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 902 S 7.58 3.75 0.00 4.03 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 0.00 903 V 8.01 4.29 2.16 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 0.52 0.00 0.00 1.01 0.00 0.00 904 E 8.30 4.64 0.00 1.98 1.76 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 2.26 2.28 0.00 905 F 8.61 4.70 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 0.00 906 P 0.00 4.60 0.00 2.41 2.02 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 907 E 8.58 3.95 0.00 2.05 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 2.38 2.42 0.00 908 M 8.86 4.08 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.84 0.00 909 M 8.86 3.67 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.22 0.00 910 S 8.58 4.08 0.00 4.09 4.13 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 0.00 0.00 0.00 911 E 8.11 3.94 0.00 1.99 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 2.24 2.22 0.00 912 V 7.82 3.82 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 0.62 0.00 0.00 0.16 0.00 0.00 913 I 7.45 3.70 1.18 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.43 -0.04 0.00 0.00 914 A 7.61 3.87 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 0.00 915 A 8.03 4.14 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 0.00 916 Q 8.11 4.58 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 917 L 8.35 3.99 0.00 1.90 1.69 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 918 P 0.00 4.22 0.00 2.15 2.10 0.00 3.54 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 919 K 7.97 3.94 0.00 1.83 1.94 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.52 7.81 920 I 8.12 3.56 1.86 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 1.16 0.44 0.76 0.00 0.00 921 L 8.03 3.99 0.00 1.82 1.72 0.93 0.92 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 0.00 922 A 8.05 4.21 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 0.00 923 G 7.74 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 0.00 924 M 7.70 4.45 0.00 2.01 2.16 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 2.77 0.00 925 V 7.15 4.39 1.75 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 0.16 0.00 0.00 0.66 0.00 0.00 926 K 8.96 4.35 0.00 1.71 1.77 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.33 7.81 927 P 0.00 4.65 0.00 1.70 1.50 0.00 3.62 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 1.87 1.95 0.00 928 L 8.79 4.44 0.00 1.38 1.46 1.16 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 929 L 8.27 4.83 0.00 1.56 1.70 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 930 F 9.53 4.38 0.00 2.72 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 0.00 931 H 8.13 5.08 0.00 3.30 3.27 0.00 5.66 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 932 K 8.71 4.18 0.00 1.77 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 933 K 8.61 4.30 0.00 1.77 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81 * Residues marked with a * may have inaccurate shift predictions.