NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 654 K 4.2416 8.1576 120.1224 56.4541 33.2786 177.5107 655 I 3.6562 8.1027 122.5312 60.9788 37.3617 173.3692 656 S 4.3689 6.2593 115.8814 58.5958 66.9337 176.9349 657 N 5.7399 7.2005 117.5067 50.6594 37.1921 176.3275 658 I 3.7412 7.3529 121.0187 65.5695 37.7277 177.2683 659 F 5.4672 8.0281 116.3449 57.2167 39.3913 175.0274 660 E 5.0458 7.8060 122.0177 57.3367 29.7055 176.1386 661 D 4.9318 9.1433 124.2552 55.3172 38.3106 173.4063 662 V 4.3927 7.9592 118.8202 61.0276 34.8601 173.5727 663 E 5.2482 8.6259 128.3177 54.6357 32.1042 174.1171 664 F 5.2714 9.8799 126.3686 55.8243 42.6732 173.7397 665 C 4.7924 8.6950 124.3122 58.5740 32.6662 172.4934 666 V 4.5659 8.4853 127.4593 62.2180 31.1061 174.8966 667 M 4.4997 8.7955 128.7178 57.1532 33.3088 176.2536 668 S 4.5907 8.9782 111.9813 55.9785 67.2361 172.7323 669 G 4.1785 9.1112 106.7589 44.1506 0.0000 177.1092 670 T 4.0778 8.4360 120.2601 63.9490 66.6830 173.9531 *673 Q 4.1597 7.9874 128.8517 55.1484 30.3016 174.1460 674 P 4.6616 0.0000 0.0000 61.8700 33.3827 176.7501 675 K 3.8146 8.7469 123.7356 59.3153 31.9247 176.5409 676 P 4.5180 0.0000 0.0000 64.3735 31.7421 177.6319 677 D 4.3085 8.2714 119.9604 57.6027 40.7842 178.7149 678 L 4.0997 7.8198 118.7874 57.8284 41.5503 179.2478 679 E 4.2022 7.8513 117.3370 59.0874 29.5236 179.0425 680 N 4.4661 8.0228 116.8498 56.2867 38.1789 177.4087 681 R 3.5325 8.1459 119.7727 59.4518 30.1914 178.8633 682 I 3.9455 8.2896 119.4057 64.8300 36.9537 178.0683 683 A 4.4429 7.8435 121.8753 53.8881 18.1078 178.7005 684 E 4.2972 8.5658 113.9976 57.4691 29.5151 177.7473 685 F 4.1486 7.7637 117.8067 56.6746 38.8369 177.0883 686 G 3.9818 8.3909 109.6169 44.9559 0.0000 173.3984 687 G 4.0336 7.7744 106.1509 44.4547 0.0000 172.3048 688 Y 5.0979 8.7408 119.6042 56.7563 39.9404 175.2500 689 I 5.4233 8.5852 123.2747 59.5720 40.0778 175.3620 690 V 4.3576 7.8988 120.1720 61.4966 33.0219 173.5710 691 Q 4.2389 9.0522 123.6889 57.8441 29.2185 176.0304 692 N 5.0976 7.7089 112.7237 50.2834 42.2853 172.3758 693 P 4.3293 0.0000 0.0000 63.2633 32.1300 175.3942 694 G 4.0972 7.9912 107.5204 44.3157 0.0000 172.4822 695 P 4.3950 0.0000 0.0000 64.9013 31.0180 176.6095 696 D 4.9005 7.8692 116.5299 53.8850 42.5613 175.3627 697 T 4.7301 7.8396 109.6256 60.7799 69.7810 174.3479 698 Y 4.1545 9.0687 126.3577 60.3783 38.9845 174.8572 699 C 4.9474 7.5905 111.3840 57.8432 32.9199 173.0906 700 V 4.7601 8.2154 112.4585 60.0543 34.2943 175.0347 701 I 5.0840 9.2531 123.4087 58.8456 40.1207 175.0043 702 A 4.8620 8.3088 126.0478 50.2696 17.7719 175.7038 703 G 3.7831 9.3218 109.5436 48.3228 0.0000 172.2513 704 S 4.8232 9.5162 114.5762 55.9967 67.0848 173.7922 705 E 3.9519 8.6674 122.3863 57.3494 29.8533 176.4501 706 N 4.2598 7.9230 117.9493 52.1315 42.9421 175.7472 707 I 3.6840 7.6979 122.3962 64.6679 37.1932 178.9523 708 R 3.9710 7.9414 118.3219 59.3103 29.8809 178.9505 709 V 3.7117 7.6610 117.8414 65.3523 31.3357 177.7439 710 K 3.8569 8.5179 118.5216 59.8120 32.2091 178.6335 711 N 4.3137 8.1875 116.8424 56.7668 38.6797 176.8791 712 I 3.7471 8.0836 120.6368 64.4902 37.2361 178.0813 713 I 3.6587 8.0954 120.0120 64.2673 36.9852 177.8656 714 L 4.0658 7.2788 119.5561 57.2310 42.0959 177.5430 715 S 4.5432 7.3103 113.3301 58.0557 63.8117 172.7482 716 N 5.0898 8.1450 117.8038 53.2766 39.1157 175.1835 717 K 4.0594 8.1361 119.6363 58.3988 32.9001 175.3474 718 H 5.1093 7.7394 113.1771 53.8376 33.4426 172.2714 719 D 4.9447 8.5871 118.0692 52.5956 44.5414 174.2185 720 V 4.8812 8.7331 124.9212 61.1503 34.9800 174.2937 721 V 4.7220 8.3916 126.1354 60.6651 35.3160 174.5379 722 K 4.2833 9.4706 126.8579 56.0515 33.4206 176.1639 723 P 4.0872 0.0000 0.0000 66.1116 31.1792 178.6706 724 A 4.0068 8.0530 118.7611 54.3684 18.3298 179.2559 725 W 2.8622 8.0242 127.4822 60.4070 30.6985 178.2711 726 L 2.6591 7.2893 118.0994 57.0269 40.8133 179.2217 727 L 3.8018 7.0501 118.6194 57.0989 41.4349 179.2501 728 E 3.8848 7.8111 119.0229 59.2028 29.4354 178.6737 729 C 4.6757 7.0636 117.9326 62.2334 27.9005 176.1430 730 F 3.6462 7.5793 117.7088 60.3765 38.4978 176.6421 731 K 4.0066 8.0087 118.8037 59.6428 32.0072 177.7132 732 T 4.2004 8.6424 106.8839 61.4058 69.2538 174.3656 733 K 4.1217 7.7533 120.6630 57.4573 30.5975 174.2800 734 S 4.7836 7.5816 109.7723 56.7933 66.6257 173.1625 735 F 4.9025 8.5309 124.4921 55.7006 37.4414 173.8543 736 V 3.8063 7.9989 120.3528 62.4090 31.9040 174.0266 737 P 4.7067 0.0000 0.0000 62.5372 31.8888 176.3855 738 W 4.8017 8.7842 121.0569 57.0652 29.9660 175.9293 739 Q 4.4854 8.5478 118.8793 53.7230 32.3324 174.4526 740 P 3.7058 0.0000 0.0000 65.5262 31.4494 178.4621 741 R 3.7298 7.5561 112.7002 59.1472 29.0731 177.5666 742 F 4.6741 8.0069 117.2544 59.6075 39.2150 174.9709 743 M 4.3591 9.1758 121.3208 54.0791 32.4815 176.3260 744 I 3.9691 8.2966 118.4637 63.4015 38.5712 175.9789 745 H 4.7018 7.6949 118.6117 54.6350 32.6222 171.7829 746 M 4.5826 7.2865 125.3013 54.2492 33.0840 175.1524 747 C 3.5473 7.4129 122.5671 55.0803 33.6187 172.5052 748 P 4.2148 0.0000 0.0000 65.8370 30.7229 179.0273 749 S 4.3553 7.9714 111.5221 61.3413 62.3958 175.7091 750 T 3.8942 7.7264 115.1883 64.4375 67.1239 176.3619 751 K 3.9834 8.1161 120.0049 58.9067 31.9793 177.6718 752 E 4.4928 7.5785 118.1734 57.4038 30.4261 177.3488 753 H 4.2550 7.8326 118.2154 59.2032 29.5282 176.4877 754 F 5.1662 8.1570 116.9175 58.0712 38.6226 176.3100 755 A 5.0140 7.4337 119.6947 51.4137 19.7486 178.2421 756 R 4.2414 7.6788 116.5221 58.3491 30.8089 177.3461 757 E 4.5767 8.2990 117.1595 56.7984 30.7555 174.7593 758 Y 4.6838 7.3099 114.8075 55.3981 41.8879 174.4101 759 D 4.5436 8.3823 121.5546 53.5464 41.8911 176.7455 760 C 4.1434 8.2866 113.6267 59.0755 29.1088 173.5737 761 Y 4.4611 7.4829 116.0686 57.5508 39.0460 176.4487 762 G 3.7504 7.9290 107.9452 44.8604 0.0000 173.0658 763 D 4.6487 7.9756 120.2541 52.8145 42.0803 175.6724 764 S 4.6438 8.6270 122.2263 58.2554 63.1895 173.6407 765 Y 4.4313 7.6707 122.8804 60.8109 37.5763 178.2453 766 F 4.8774 7.4197 112.0494 56.7023 41.1814 175.2005 767 I 4.5726 7.5178 120.9951 58.8684 39.4508 175.0921 768 D 4.4242 8.6707 125.1380 54.6768 41.3598 177.2467 769 T 4.1652 8.1161 117.2553 62.7702 69.0185 172.0873 770 D 4.4377 7.9240 117.7325 52.2828 43.8179 176.0914 771 L 3.8429 8.1127 123.0233 58.4034 41.9827 177.8971 772 N 3.8536 8.1498 114.2158 57.7925 39.0421 176.0703 773 Q 3.9360 8.0063 119.8296 59.2001 29.3480 178.4794 774 L 4.1394 8.1958 120.7306 56.6176 42.0817 178.6449 775 K 3.8024 7.8729 120.1224 59.3489 31.9257 178.2507 776 E 3.8646 7.8772 118.3436 59.2558 29.3752 178.3941 777 V 3.7727 7.6088 117.9124 66.4243 31.3523 177.8647 778 F 3.9551 8.3816 115.8468 60.7191 38.8032 177.4273 779 S 4.5576 8.4893 111.9574 59.5040 62.5516 174.1725 780 G 3.9899 7.4277 109.7081 44.3222 0.0000 172.7680 781 I 4.4658 7.9991 123.3726 60.8915 43.1942 175.4922 782 K 3.8162 7.9415 120.3513 56.8807 32.8129 175.4014 783 N 4.8527 8.3598 127.8668 53.9240 39.0355 174.4442 784 S 4.9649 7.7871 119.5104 59.9188 64.4892 177.0591 785 N 4.9728 8.0028 114.2443 53.5256 41.9577 177.1873 786 E 3.7089 7.6991 117.7103 58.2580 29.8430 177.2160 787 Q 4.4826 8.2622 119.1588 54.3658 31.7360 174.8126 788 T 3.9636 8.6644 120.8546 63.0187 69.3902 173.7603 789 P 4.2086 0.0000 0.0000 66.1399 30.8793 178.3590 790 E 4.0000 8.3384 116.4894 59.2842 29.2446 178.7921 791 E 4.0379 8.5465 119.6072 59.0309 29.9298 177.8998 792 M 3.8964 8.2380 117.9189 59.2366 32.0169 178.6236 793 A 3.9192 8.0254 119.9558 55.6624 18.6783 179.9109 794 S 4.0500 7.9901 112.2136 61.3833 62.8463 177.0245 795 L 3.9593 7.9986 121.7418 58.0754 41.3635 179.0392 796 I 3.7317 8.1905 119.6109 64.9756 37.1201 177.8491 797 A 4.0731 8.9142 121.3415 55.7793 18.1194 179.4362 798 D 4.4390 8.6888 117.3827 57.0523 40.8861 179.0232 799 L 4.0576 8.2835 119.8229 57.8893 41.7136 179.0929 800 E 4.1301 8.6321 118.7670 59.9519 29.3560 178.5085 801 Y 3.7772 8.0794 119.1120 60.9670 38.5533 177.8857 802 R 3.4459 8.3791 118.8673 59.8635 30.1923 176.9345 803 Y 3.8634 7.2907 114.0577 56.5940 38.1845 175.5577 804 S 3.7651 7.0054 114.0788 58.5079 61.1451 172.9003 805 W 4.9438 8.3721 118.2227 56.8969 29.2416 177.9620 806 D 4.6789 8.0384 118.3871 54.9040 39.2435 176.9635 807 C 4.6345 7.8507 116.4605 59.4743 29.0066 173.7123 808 S 4.2157 7.8569 116.4654 57.5430 62.8005 172.6911 809 P 4.1465 0.0000 0.0000 65.9605 31.1964 178.4649 810 L 3.9664 7.9007 116.0439 56.6225 41.6922 178.3432 811 S 4.7988 8.4580 114.3617 58.1544 64.1046 175.3562 812 M 3.7626 8.1104 122.3024 58.6378 31.9626 177.4159 813 F 4.8313 7.4471 116.0106 57.5249 39.2909 178.2754 814 R 4.8478 8.1907 122.7383 59.1279 29.8289 178.2800 815 R 4.3037 8.0520 113.5161 57.3307 30.6483 175.8400 816 H 4.8268 8.4664 116.8520 55.2304 30.8966 174.4583 817 T 4.9166 9.0231 119.2426 61.9884 70.9911 173.2459 818 V 4.9375 9.1201 127.2985 61.1171 34.8331 173.5428 819 Y 4.7862 8.4518 128.6322 56.0385 40.1701 174.3155 820 L 4.5560 7.9725 127.1679 53.3296 42.7965 177.6362 821 D 4.7920 7.9848 124.3998 53.9242 38.3440 176.0980 822 S 4.4184 7.2698 113.6300 58.3891 64.8158 174.4217 823 Y 4.9976 7.5432 117.6413 55.9322 39.5430 175.4572 824 A 4.1475 8.6088 127.3704 54.2337 19.3929 177.6415 825 V 4.3417 8.1650 115.3359 60.5517 33.7520 174.9160 826 I 4.0332 8.3793 127.5133 63.4729 37.2780 175.8453 827 N 4.2118 8.9673 120.4606 53.4840 36.7385 174.1884 828 D 4.6156 7.6510 119.5060 52.0220 40.5866 176.6113 829 L 3.5869 8.1886 126.8060 56.5686 41.7746 178.4039 830 S 4.6763 8.1887 111.9687 58.4159 63.6780 174.3050 831 T 4.6226 8.1459 111.7224 61.5577 69.9263 174.0197 832 K 4.3826 8.3372 123.7090 57.5762 32.7553 175.7954 833 N 4.6450 9.1980 126.3870 52.7793 38.8008 174.8352 834 E 4.3325 8.8140 123.7798 55.9774 31.5478 175.2754 835 G 3.7559 8.7972 109.9952 45.9881 0.0000 172.9097 836 T 4.6720 7.1877 116.8602 61.0984 73.4776 175.4420 837 R 3.9193 8.7911 123.7717 59.6973 29.9739 178.9934 838 L 4.0967 7.8349 117.4545 56.7721 41.9248 178.9628 839 A 3.8940 7.7545 121.2052 55.3049 18.3903 179.8001 840 I 3.6896 7.6606 117.6955 64.2904 37.0693 178.7056 841 K 4.2195 8.1637 120.4096 58.5812 31.7447 179.2424 842 A 3.9110 7.9982 121.2247 55.1510 18.3424 179.5737 843 L 3.9556 7.7684 117.1975 58.0296 41.1261 179.7637 844 E 4.0755 8.2399 118.4364 59.4251 29.3793 179.2289 845 L 3.7316 8.1443 119.3977 57.9545 41.7508 179.9014 846 R 4.0796 8.2155 117.9737 58.9904 29.8269 178.7932 847 F 4.2534 8.3917 119.9178 60.7886 39.6323 174.9568 848 H 4.7494 7.9224 114.4414 55.0976 29.1593 176.6970 849 G 3.9976 8.2437 108.1574 44.7971 0.0000 174.2400 850 A 4.8316 8.1538 121.7593 51.7904 19.6259 177.5868 851 K 4.3134 8.6056 122.2954 55.5889 33.0353 175.9592 852 V 4.9187 8.3425 121.4952 60.2008 33.1439 176.1833 853 V 4.6534 8.3820 123.6485 60.0632 33.9646 175.5969 854 S 4.7571 8.9884 116.8859 58.2131 63.6062 173.1570 855 C 4.7764 7.8288 121.0171 57.3378 33.5430 172.8471 856 L 3.6014 9.1518 130.7761 55.0391 41.2505 175.4417 857 A 4.3241 7.8758 127.8095 50.6369 22.1670 174.2089 858 E 3.6056 7.9049 120.6293 56.9555 29.8591 175.9786 859 G 4.1048 9.1664 114.8120 46.1040 0.0000 174.8336 860 V 3.8862 7.4728 113.8793 61.7652 32.0692 176.0203 861 S 4.7512 8.9943 118.3841 59.6387 65.2085 173.7276 862 H 5.3098 8.1295 115.9523 53.8714 33.3737 172.5424 863 V 4.7545 8.9413 121.1518 61.2331 35.0788 174.2700 864 I 4.8692 8.6922 128.1909 59.5959 39.0567 175.0695 865 I 4.2069 8.3071 128.3761 60.2611 38.2599 175.9723 866 G 4.5173 8.3824 113.5402 45.7143 0.0000 175.1103 867 E 4.0199 8.9919 120.9881 59.1918 29.6530 176.1288 868 D 4.3757 8.0599 118.7449 55.3166 40.9469 174.5721 869 H 4.8191 8.9032 123.9565 55.8651 28.8554 177.7851 870 S 4.1727 8.6075 117.8533 61.2778 62.8341 175.4107 871 R 4.2873 7.9507 117.4668 55.9855 30.6422 177.9042 872 V 3.9692 8.2099 119.3993 66.2769 31.2766 177.8616 873 A 4.0378 8.0013 119.7491 55.1581 18.3399 178.7520 874 D 4.3406 8.1828 117.0777 57.9041 40.9091 179.1205 875 F 4.5991 8.3596 118.1041 61.0432 39.1242 178.0812 876 K 4.0721 8.5386 117.5583 58.9879 31.5639 179.4307 877 A 3.9515 8.2141 121.0698 55.1931 18.6390 179.1721 878 F 4.0968 8.9580 117.4385 60.8928 38.9861 177.9562 879 R 3.5360 8.1854 117.9766 58.9132 29.5187 178.5050 880 R 3.9601 7.6361 117.1656 58.9033 30.0952 177.9347 881 T 4.4191 7.7197 106.9666 61.2862 69.5633 174.8589 882 F 5.0482 7.4955 120.8481 56.8507 40.2198 175.6482 883 K 4.1817 9.0320 123.7011 58.1702 32.2353 177.6905 884 R 4.4585 8.0157 115.6571 54.8831 30.9524 175.4108 885 K 3.6031 8.4333 113.9025 56.9060 29.1736 174.8074 886 F 4.6091 7.8842 112.6150 57.6136 38.9269 176.7839 887 K 4.4314 8.8274 119.5562 55.5409 34.4453 175.5145 888 I 4.9237 8.0916 123.0305 59.7263 39.7841 174.7016 889 L 5.2006 8.6223 125.5752 52.6083 46.4023 176.2464 890 K 4.3821 8.8287 121.2463 56.3106 32.7065 178.2232 891 E 4.0136 8.7004 122.7881 59.6848 29.4727 179.7004 892 S 4.3444 8.0990 112.4148 59.5313 63.3453 175.7327 893 W 3.1128 7.8809 133.1126 60.3555 30.3007 177.8469 894 V 2.9418 7.3605 117.5103 66.0756 31.0280 177.9372 895 T 3.7529 7.7023 114.8075 66.9308 68.3935 176.0998 896 D 4.3829 8.4910 120.8449 57.3774 40.5751 179.1317 897 S 4.5462 7.5878 116.2740 61.2670 63.1193 176.5752 898 I 3.6839 7.4958 122.3509 64.3984 36.5590 178.3661 899 D 4.3859 7.9141 118.9417 56.3032 40.9546 177.9216 900 K 4.5521 8.1407 118.5404 56.7929 33.3196 176.5592 901 C 4.3258 7.7216 113.2728 59.8270 26.9024 172.8628 902 E 4.5145 8.1302 114.9679 54.8914 31.9247 174.4872 903 L 3.8168 8.4433 120.0790 55.3545 41.7019 177.6735 904 Q 4.4391 8.2542 123.1947 55.9639 29.6128 174.6022 905 E 5.2043 8.4026 116.5034 54.8706 33.3944 175.8703 906 E 3.9788 8.8061 117.2724 59.4633 29.2644 178.7810 907 N 4.0885 7.7715 115.5424 55.7553 38.5145 176.8584 908 Q 3.8968 8.0492 119.2598 59.1347 28.7882 178.3298 909 Y 4.5187 9.1653 115.9304 57.6348 38.3438 175.0191 910 L 4.6290 7.0339 120.1335 57.4583 41.8286 177.1888 911 I 3.4738 8.5866 122.8028 61.1620 38.4314 172.6737 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 654 K 8.16 4.24 0.00 1.79 0.88 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.41 7.81 655 I 8.10 3.66 1.75 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.55 0.84 0.00 0.00 656 S 6.26 4.37 0.00 3.21 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 657 N 7.20 5.74 0.00 2.93 2.89 0.00 0.00 6.70 7.32 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 0.00 658 I 7.35 3.74 1.52 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 1.15 0.00 0.00 659 F 8.03 5.47 0.00 3.39 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 0.00 660 E 7.81 5.05 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 2.46 2.32 0.00 661 D 9.14 4.93 0.00 3.00 2.91 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 0.00 662 V 7.96 4.39 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 0.03 0.00 0.00 1.01 0.00 0.00 663 E 8.63 5.25 0.00 2.16 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 2.37 2.43 0.00 664 F 9.88 5.27 0.00 3.11 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 0.00 665 C 8.70 4.79 0.00 3.05 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 0.00 666 V 8.49 4.57 2.12 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 0.87 0.00 0.00 0.95 0.00 0.00 667 M 8.80 4.50 0.00 1.96 2.12 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 2.55 0.00 668 S 8.98 4.59 0.00 3.84 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 0.00 669 G 9.11 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 0.00 670 T 8.44 4.08 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.66 3.96 4.51 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 1.36 0.00 0.00 789 P 0.00 4.21 0.00 2.16 2.15 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 790 E 8.34 4.00 0.00 2.06 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 2.41 2.45 0.00 791 E 8.55 4.04 0.00 2.09 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 2.28 2.35 0.00 792 M 8.24 3.90 0.00 2.07 2.14 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 2.70 2.59 0.00 793 A 8.03 3.92 1.45 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 0.00 0.00 794 S 7.99 4.05 0.00 3.93 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 0.00 795 L 8.00 3.96 0.00 1.90 1.76 0.93 0.84 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 0.00 796 I 8.19 3.73 2.19 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 1.53 0.86 1.01 0.00 0.00 797 A 8.91 4.07 1.44 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 0.00 0.00 0.00 0.00 0.00 798 D 8.69 4.44 0.00 2.69 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 0.00 799 L 8.28 4.06 0.00 2.16 1.99 1.10 1.30 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 0.00 800 E 8.63 4.13 0.00 2.28 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 0.00 2.76 2.86 0.00 801 Y 8.08 3.78 0.00 3.21 3.13 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 0.00 802 R 8.38 3.45 0.00 1.58 1.77 0.00 2.78 0.00 0.00 2.89 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 803 Y 7.29 3.86 0.00 1.43 1.54 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 0.00 804 S 7.01 3.77 0.00 3.90 3.89 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 1.71 1.74 0.00 838 L 7.83 4.10 0.00 1.60 1.60 0.88 0.83 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 0.00 839 A 7.75 3.89 1.28 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 0.00 0.00 840 I 7.66 3.69 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.77 0.86 0.00 0.00 841 K 8.16 4.22 0.00 1.90 1.78 0.00 1.52 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.27 7.81 842 A 8.00 3.91 1.26 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 0.00 0.00 843 L 7.77 3.96 0.00 1.68 1.74 0.92 0.75 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 0.00 844 E 8.24 4.08 0.00 2.13 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 0.00 2.29 2.52 0.00 845 L 8.14 3.73 0.00 1.61 1.55 0.76 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 846 R 8.22 4.08 0.00 2.14 2.03 0.00 3.14 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 847 F 8.39 4.25 0.00 3.08 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 0.00 848 H 7.92 4.75 0.00 3.61 3.40 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 849 G 8.24 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 0.00 0.00 0.00 850 A 8.15 4.83 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 0.00 851 K 8.61 4.31 0.00 1.88 1.91 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 852 V 8.34 4.92 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 0.77 0.00 0.00 0.91 0.00 0.00 853 V 8.38 4.65 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 0.89 0.00 0.00 0.98 0.00 0.00 854 S 8.99 4.76 0.00 4.00 4.12 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 0.00 855 C 7.83 4.78 0.00 2.87 2.80 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 0.00 856 L 9.15 3.60 0.00 0.50 0.94 0.30 0.22 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 0.00 857 A 7.88 4.32 1.11 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 0.00 0.00 0.00 0.00 0.00 858 E 7.90 3.61 0.00 1.49 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 859 G 9.17 4.10 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 0.00 860 V 7.47 3.89 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 0.74 0.00 0.00 0.83 0.00 0.00 861 S 8.99 4.75 0.00 3.96 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 0.00 862 H 8.13 5.31 0.00 3.13 3.10 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 863 V 8.94 4.75 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.28 0.00 0.00 864 I 8.69 4.87 1.81 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.04 0.90 0.00 0.00 865 I 8.31 4.21 1.82 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 1.04 1.29 0.78 0.00 0.00 866 G 8.38 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.99 4.02 0.00 2.01 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 2.34 2.32 0.00 868 D 8.06 4.38 0.00 2.67 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 0.00 869 H 8.90 4.82 0.00 3.33 3.36 0.00 5.87 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 870 S 8.61 4.17 0.00 3.99 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 0.00 871 R 7.95 4.29 0.00 1.83 1.59 0.00 3.10 0.00 0.00 3.45 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 872 V 8.21 3.97 2.26 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 1.11 0.00 0.00 1.02 0.00 0.00 873 A 8.00 4.04 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 0.00 874 D 8.18 4.34 0.00 2.75 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 0.00 875 F 8.36 4.60 0.00 3.42 3.21 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 0.00 0.00 0.00 0.00 876 K 8.54 4.07 0.00 1.86 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.72 7.81 877 A 8.21 3.95 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 0.00 878 F 8.96 4.10 0.00 3.23 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 0.00 879 R 8.19 3.54 0.00 1.02 1.80 0.00 2.71 0.00 0.00 2.82 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 0.00 880 R 7.64 3.96 0.00 1.83 1.97 0.00 3.17 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 881 T 7.72 4.42 4.39 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 1.31 0.00 0.00 882 F 7.50 5.05 0.00 3.12 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 0.00 883 K 9.03 4.18 0.00 2.07 1.87 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.38 7.81 884 R 8.02 4.46 0.00 1.82 2.09 0.00 3.60 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 885 K 8.43 3.60 0.00 1.88 1.73 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.40 7.81 886 F 7.88 4.61 0.00 3.03 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.83 4.43 0.00 1.48 1.61 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.30 7.81 888 I 8.09 4.92 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.83 0.00 0.00 889 L 8.62 5.20 0.00 1.44 1.40 -0.17 0.23 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 0.00 890 K 8.83 4.38 0.00 2.00 1.88 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.70 7.81 891 E 8.70 4.01 0.00 2.08 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 2.32 2.52 0.00 892 S 8.10 4.34 0.00 4.20 4.22 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 0.00 893 W 7.88 3.11 0.00 2.81 3.25 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 0.00 894 V 7.36 2.94 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 0.72 0.00 0.00 0.83 0.00 0.00 895 T 7.70 3.75 4.39 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 1.22 0.00 0.00 896 D 8.49 4.38 0.00 2.64 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 897 S 7.59 4.55 0.00 3.44 3.41 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 0.00 0.00 0.00 0.00 898 I 7.50 3.68 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.71 0.83 0.00 0.00 899 D 7.91 4.39 0.00 2.84 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 0.00 900 K 8.14 4.55 0.00 1.79 1.78 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.45 7.81 901 C 7.72 4.33 0.00 3.04 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 0.00 902 E 8.13 4.51 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 903 L 8.44 3.82 0.00 1.70 1.86 1.15 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 904 Q 8.25 4.44 0.00 2.22 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 905 E 8.40 5.20 0.00 2.16 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 2.65 2.70 0.00 906 E 8.81 3.98 0.00 1.94 1.69 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 1.47 2.44 0.00 907 N 7.77 4.09 0.00 2.83 2.88 0.00 0.00 6.96 7.57 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 0.00 908 Q 8.05 3.90 0.00 1.10 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.71 0.00 909 Y 9.17 4.52 0.00 2.85 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 0.00 910 L 7.03 4.63 0.00 1.67 1.66 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 911 I 8.59 3.47 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.