NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 621 S 4.3079 8.3344 116.7737 57.3935 64.2916 176.6082 622 K 3.5639 8.9069 131.3742 57.0873 32.7143 169.9188 623 E 4.6507 9.5529 129.9082 55.6688 30.8384 174.7210 624 I 4.5138 8.9524 129.1238 59.4445 39.5567 175.0435 625 D 4.5071 8.5113 125.7236 53.4192 42.0976 176.8699 626 I 3.7011 8.5659 126.6219 63.9761 38.0552 177.6573 627 S 4.2345 8.3879 114.0034 60.7484 62.9520 174.7397 628 C 4.3782 8.3855 118.2657 59.8311 28.4947 172.9305 629 V 4.5879 7.6157 122.6573 61.4545 33.0576 175.8285 630 K 4.5481 8.4346 128.9906 53.0773 34.6163 172.8816 631 I 3.9558 8.5401 129.6435 61.9240 37.2952 176.2039 632 E 4.6300 9.1019 125.1514 57.6068 31.1479 173.9731 633 Q 4.5717 7.4245 115.9284 55.0198 31.7381 172.7082 634 V 4.5052 8.4947 120.6169 62.8298 31.7573 175.4528 635 I 4.5470 8.6401 120.3054 60.5284 39.2790 174.8925 636 G 4.1235 7.4725 108.4801 45.9842 0.0000 171.9187 637 A 5.0095 8.7573 121.5389 50.0242 21.3276 176.8129 638 G 4.0406 9.0382 112.7897 44.1878 0.0000 174.1299 639 E 4.0583 8.6495 116.4292 58.0723 30.0694 177.6234 640 F 4.5584 8.7763 116.9675 56.4704 40.2698 175.2996 641 G 4.3389 6.7007 105.4190 45.6850 0.0000 171.7639 642 E 4.6408 8.1529 118.7729 56.3129 31.1929 176.3405 643 V 4.8036 8.8329 121.7337 61.5857 34.3744 174.3866 644 C 5.4986 9.5898 125.1785 57.9738 32.8123 172.5371 645 S 4.8829 8.4338 113.3050 57.0122 66.3207 174.3903 646 G 3.6756 6.5895 106.8007 46.0711 0.0000 171.5561 647 H 5.4111 7.8802 115.4094 53.8517 32.2344 173.5954 648 L 5.0417 9.0529 123.4059 53.3769 44.8384 175.0725 649 K 4.8740 9.0009 128.2597 54.4614 33.3113 175.5582 650 L 4.3073 8.1882 126.1169 52.7537 42.7764 174.9982 651 P 4.0479 0.0000 0.0000 64.5886 31.6992 175.2335 652 G 4.3377 9.1196 114.7811 45.6437 0.0000 174.0837 653 K 4.2420 7.0100 116.3930 55.6225 32.7094 176.8330 654 R 4.2865 8.1528 119.7098 55.2078 30.9953 176.4023 655 E 4.4799 8.7005 123.0731 57.0814 30.2673 175.8989 656 I 4.8438 8.7003 118.0885 59.1764 41.6975 173.6646 657 F 4.9553 8.7989 125.7877 58.0051 40.4750 174.8036 658 V 4.6292 8.0790 117.7789 60.0399 36.9275 173.3292 659 A 5.1762 8.8510 122.8725 50.5131 21.6156 176.1525 660 I 4.6627 9.0400 122.2278 59.4948 40.7980 174.6662 661 K 4.9782 8.8340 128.0095 55.5483 33.5349 176.4165 662 T 5.1294 9.0022 115.1548 59.8466 72.2425 172.5481 663 L 4.2736 7.6896 124.2687 52.7138 43.4781 176.0929 664 K 4.2624 8.5053 128.6381 56.2124 32.7030 176.8985 665 S 4.3646 8.6896 121.5698 59.5693 63.6125 174.3564 666 G 3.7469 8.3635 108.3578 45.6635 0.0000 173.5557 667 Y 4.2956 7.0811 117.0594 56.8396 38.7484 176.5232 668 T 4.3964 8.3377 111.9592 61.0300 71.6829 175.3839 669 E 4.0534 8.7378 122.2342 59.3394 29.5835 179.0559 670 K 3.9876 8.0655 119.2231 59.6146 32.3423 178.5385 671 Q 4.3305 8.1835 118.3465 59.0795 28.6736 178.9051 672 R 3.6260 8.1864 119.5300 59.5905 30.2641 178.8477 673 R 3.9027 8.0557 117.7369 59.2577 29.7873 178.8841 674 D 4.3306 8.2787 118.3740 57.0940 40.6069 178.1811 675 F 3.4640 7.6109 121.1537 61.1591 39.5051 177.1788 676 L 3.8189 7.9106 117.8263 56.6002 41.2425 179.5112 677 S 4.0447 7.6161 114.8878 61.2652 62.9362 175.8157 678 E 3.8688 7.6799 121.7651 59.2245 29.2746 178.8694 679 A 3.8626 7.5074 120.0260 55.0766 18.2713 179.6384 680 S 3.9654 7.4786 112.4696 61.8295 63.1528 176.6280 681 I 3.8696 8.2026 124.4496 63.9626 36.9713 178.3861 682 M 3.6803 7.9973 117.7327 57.7596 30.7484 178.6910 683 G 3.4749 7.6048 106.6406 47.1999 0.0000 174.8188 684 Q 4.0201 7.4853 118.0070 56.0592 28.7807 175.4166 685 F 5.1798 6.4936 119.1871 56.4293 41.6312 175.4030 686 D 4.3498 8.7339 120.1415 54.5376 42.3658 173.9173 687 H 4.4548 7.8354 124.5411 53.5958 32.6444 172.6924 688 P 4.3040 0.0000 0.0000 64.9461 31.3323 176.6294 689 N 4.9574 8.3311 116.2902 52.6724 39.0942 173.4381 690 V 4.8270 7.6237 118.0102 60.8912 34.3610 174.8862 691 I 3.6604 8.4520 128.3220 62.2281 37.6753 175.1422 692 H 4.3662 9.4247 127.9118 55.9028 31.0473 173.5267 693 L 4.5202 8.0196 127.6788 54.0636 42.4786 175.7787 694 E 4.0336 8.9855 126.8432 57.4189 30.4560 177.3479 695 G 3.8707 6.8963 104.5102 46.2534 0.0000 171.1601 696 V 4.7535 7.7004 111.8470 59.8054 35.9706 174.4259 697 V 4.7347 8.7521 121.5494 61.5774 32.7699 175.9913 698 T 4.4862 9.0534 116.8684 61.7505 70.5352 175.7019 699 K 4.0943 8.4915 121.0689 58.3267 32.2288 176.3658 700 S 4.8354 7.7582 110.9203 56.4231 66.0990 172.6833 701 T 4.6334 8.1055 110.2477 59.1211 70.5384 172.6884 702 P 4.5671 0.0000 0.0000 62.0292 32.8429 176.0461 703 V 4.0198 8.1199 119.7690 63.6187 32.5819 174.6655 704 M 5.5174 9.3607 126.2481 53.8618 36.9948 174.6818 705 I 4.5771 8.7855 121.4399 59.5955 40.0800 174.1537 706 I 4.7041 8.3313 128.5154 60.9124 38.7490 175.5526 707 T 4.8411 8.7709 115.8401 59.9718 72.7222 172.4259 708 E 4.3028 8.7828 122.4784 56.7245 30.3354 176.1707 709 F 4.7136 8.7774 127.1626 57.1374 40.5496 175.4652 710 M 4.2002 7.5801 127.7998 52.5652 32.1413 175.3187 711 E 3.4158 7.9220 124.4576 59.0878 29.7789 177.7049 712 N 4.5060 7.7672 112.7284 52.2054 39.5303 177.3045 713 G 3.6546 8.0011 108.5234 46.1138 0.0000 173.3148 714 S 4.6379 8.4072 116.4706 58.5746 63.7921 175.1237 715 L 4.1815 8.7690 126.5374 58.1500 41.9006 179.2356 716 D 4.4453 8.1382 118.9590 56.7484 39.3518 178.6571 717 S 4.2250 8.1400 115.9522 60.7294 62.8702 175.9116 718 F 4.6272 8.1330 124.8944 60.7482 39.4640 176.8787 719 L 4.1554 8.5407 118.9173 57.6074 41.1923 179.6218 720 R 4.1590 7.7952 117.5455 58.9480 30.0397 178.1252 721 Q 4.3220 7.8070 116.0003 56.2335 29.6269 175.6121 722 N 4.6183 7.8305 118.3294 51.8085 39.5952 174.4012 723 D 3.7012 7.9779 117.5983 55.2428 41.5289 175.4942 724 G 3.4845 5.3800 115.6481 46.6901 0.0000 173.3630 725 Q 4.2583 7.0971 115.4125 54.9276 29.2097 175.6416 726 F 5.3083 7.6518 116.0567 55.3973 42.8255 175.2258 727 T 4.4711 8.3005 112.9741 60.9251 71.3565 175.8825 728 V 3.6240 8.3527 121.0395 66.5072 31.4393 178.3578 729 I 3.7566 7.7377 118.9799 64.1777 36.9661 178.3605 730 Q 3.9070 7.7827 119.1215 58.8775 28.5991 178.4205 731 L 3.8725 7.8793 119.9582 57.9931 41.7259 179.8271 732 V 3.6833 8.2086 118.4735 65.8524 31.4454 178.3003 733 G 3.5925 7.9519 105.5096 48.0476 0.0000 175.5949 734 M 4.0630 7.9763 121.3447 58.1684 31.9935 178.9657 735 L 4.1588 8.1539 118.9912 57.4010 41.6902 179.6243 736 R 4.0524 8.1504 119.3060 59.2115 29.9809 178.6612 737 G 3.6391 8.0040 105.3373 48.0222 0.0000 175.6707 738 I 3.7492 7.7307 121.8993 64.0125 37.0768 178.4605 739 A 3.8194 8.2211 121.4747 54.8790 18.0886 179.6205 740 A 4.0043 8.4818 119.9764 55.2278 18.4369 180.0779 741 G 3.3752 8.3142 104.6446 48.2767 0.0000 175.8857 742 M 3.7173 7.9123 121.0597 57.4147 31.6305 178.8328 743 K 3.9077 7.7526 120.1539 59.4166 32.3269 178.2014 744 Y 3.9780 8.1536 120.1074 60.7355 38.6883 177.9366 745 L 3.6058 8.0449 119.7058 57.7077 41.6494 179.4437 746 A 4.0355 8.2502 120.8954 55.4328 18.1460 179.4337 747 D 4.3224 7.9945 116.2230 57.5491 40.9097 178.0951 748 M 4.2521 7.5990 116.2678 54.7030 32.0947 175.7762 749 N 4.3005 8.2423 115.7916 54.6867 36.6485 173.3207 750 Y 4.6487 8.3763 118.8894 55.6964 40.5838 174.6244 751 V 4.2369 7.4255 126.7741 61.1547 32.9104 174.6057 752 H 3.9919 9.1348 128.1806 59.0346 29.8529 177.8815 753 R 4.4838 8.5386 115.8678 56.4039 29.4754 176.5190 754 A 4.7749 7.7130 119.8357 51.2645 19.5186 175.8130 755 L 3.8569 8.3476 122.0578 56.8596 42.7219 175.8186 756 A 4.5520 8.1513 126.1223 50.9795 21.9832 176.3414 757 A 4.1394 9.5621 124.2843 55.4182 18.4864 180.5051 758 R 4.7493 7.7945 109.5438 57.9321 29.9352 176.7157 759 N 4.9124 8.4792 116.4590 52.9000 40.1909 173.7810 760 I 4.9676 7.6855 120.3977 59.5577 40.1817 174.9252 761 L 5.0417 8.8058 126.8142 53.4421 44.3767 175.6813 762 V 4.8323 8.2338 120.8606 61.3132 35.0798 174.7621 763 N 5.0696 8.1214 124.5324 51.3558 40.0680 175.2758 764 S 4.0404 8.7313 113.7380 62.3679 62.8253 175.4857 765 N 4.5018 8.0699 113.3702 53.5483 38.2679 175.3820 766 L 3.5885 7.9072 117.3153 55.0334 39.9100 174.2392 767 V 3.8053 8.1967 120.5899 63.0387 32.3493 174.6393 768 C 5.1783 8.6091 125.3830 58.3144 30.0105 173.2614 769 K 4.8133 9.0567 121.6656 54.3808 36.4238 175.8865 770 V 3.9606 8.8091 124.2430 63.3563 32.7127 175.1399 771 S 4.9201 8.0180 121.3996 58.0411 65.5133 171.7927 772 D 4.3359 8.7112 113.2894 55.5274 38.2400 173.8219 773 F 4.7089 8.2659 114.7506 56.9976 40.0528 177.2707 774 G 3.7139 8.0433 111.3220 47.3950 0.0000 172.8318 *797 P 4.3797 0.0000 0.0000 61.5450 31.5714 176.3646 798 I 3.6256 7.8684 122.1809 64.7885 37.6258 178.2907 799 R 3.8299 7.9753 116.1305 57.7921 29.1470 176.9626 800 W 4.7294 8.4919 117.8974 56.9331 30.6097 175.5458 801 T 4.5272 8.0719 115.5323 61.6494 69.8720 175.1331 802 A 2.5800 7.8629 126.1980 50.4814 20.4216 176.8221 803 P 3.7944 0.0000 0.0000 65.9690 31.3441 179.0236 804 E 3.9922 7.8327 116.1600 59.3452 29.4397 179.1760 805 A 3.6483 7.4644 120.2661 54.7393 18.0492 179.6219 806 I 3.6504 7.0733 117.7450 64.1987 37.2975 178.0400 807 Q 3.8213 7.6491 119.2980 58.3981 28.6722 176.1804 808 Y 4.6451 7.6643 114.8915 56.9292 38.5926 176.0720 809 R 4.7568 7.7816 116.2922 56.0886 27.7171 176.6649 810 K 4.3338 7.3345 120.7215 55.2061 31.0762 174.7885 811 F 4.6174 8.6838 124.4729 55.8325 40.7025 175.6563 812 T 4.8111 8.7915 114.6610 59.1024 72.2357 174.8448 813 S 4.3250 8.8018 116.5557 61.6253 62.4349 176.7849 814 A 4.0111 7.8230 123.5681 55.2210 18.1991 179.8226 815 S 4.2507 8.0496 112.1000 61.3735 63.1029 176.3976 816 D 4.6728 8.1687 122.5237 57.2049 40.7168 178.5076 817 V 3.4250 7.8842 119.1089 65.3960 31.5426 177.9386 818 W 4.6223 8.0423 129.5873 60.2695 30.6000 178.0360 819 S 4.8336 8.5406 116.4478 61.4989 62.2589 176.0908 820 Y 4.3041 9.0205 122.5827 60.5948 38.5044 178.4442 821 G 3.3596 8.3623 106.6911 47.8982 0.0000 175.6713 822 I 4.0310 8.0880 122.3809 64.0308 37.0105 178.6164 823 V 3.9408 8.2362 119.2136 66.5409 31.3451 177.8880 824 M 3.8092 7.9993 118.5199 58.0996 31.7069 178.6761 825 W 4.0015 8.0763 128.0271 60.3710 30.8496 177.8930 826 E 4.0352 8.6177 118.8883 59.4233 28.9060 179.5767 827 V 3.4452 7.9824 118.2896 66.3462 31.5232 177.9406 828 M 3.8930 7.5828 115.8929 57.0303 31.5175 177.7066 829 S 4.2221 7.3963 114.5085 57.0370 63.8930 173.1829 830 Y 3.2442 8.5958 119.4483 59.1692 35.4101 171.7214 831 G 4.0994 8.5146 106.7881 44.9665 0.0000 173.6829 832 E 4.0651 7.3295 119.3974 56.0812 30.3851 176.3094 833 R 4.2180 8.5538 125.1227 55.1072 30.8775 174.0592 834 P 3.3610 0.0000 0.0000 64.0149 31.7896 175.6436 835 Y 3.3132 6.7202 117.7759 57.4798 36.4726 170.6748 836 W 3.3600 6.7199 122.1772 58.4320 28.7543 175.2686 837 D 4.7940 9.1728 126.3644 54.5649 39.0240 176.3669 838 M 4.1766 8.0103 120.0663 56.1746 32.6791 177.0319 839 T 4.2415 8.2516 118.3880 63.0968 70.8186 175.9331 840 N 4.2532 8.6591 120.5953 56.7348 38.4601 177.5410 841 Q 3.9170 7.9130 120.3867 59.0903 29.2565 177.6600 842 D 4.2406 7.8339 119.6220 57.1220 40.8142 178.6727 843 V 3.2153 7.8998 119.2280 65.8419 31.4378 178.1690 844 I 3.5352 7.3939 119.4422 64.5287 36.9722 178.2724 845 N 4.3183 8.3860 117.3440 55.9390 38.2120 177.4330 846 A 3.9444 8.3582 122.6503 55.3769 18.5585 179.7968 847 I 3.9289 7.9302 118.4732 64.4940 36.8845 178.2956 848 E 3.9974 7.9974 119.5573 59.0591 29.4665 177.7055 849 Q 4.3474 7.8131 116.9807 55.7932 29.0470 175.0544 850 D 4.5578 7.9198 115.7741 55.2684 38.7903 173.4722 851 Y 4.4457 8.1329 119.5985 57.3384 39.5509 174.9287 852 R 4.2968 6.8557 122.8023 53.7684 34.2668 175.1628 853 L 3.5539 7.5613 121.3471 54.5007 41.8198 175.7133 854 P 4.6579 0.0000 0.0000 61.2935 32.2587 174.1330 855 P 4.4243 0.0000 0.0000 61.9051 31.7182 175.3806 856 P 4.3983 0.0000 0.0000 61.8509 32.0473 175.4752 857 M 4.0666 8.4072 119.6643 57.4593 32.4230 175.4105 858 D 4.3994 8.6242 122.6072 55.3369 38.7583 172.6352 859 C 4.5456 7.5694 118.9424 56.7479 32.7476 171.7453 860 P 4.3648 0.0000 0.0000 62.5926 31.7855 177.5507 861 S 4.1972 8.9240 117.7588 61.4819 62.4871 176.9229 862 A 4.0150 7.9270 124.1622 54.9095 18.2931 179.2591 863 L 3.9821 8.0008 117.5760 57.7512 41.7309 178.9070 864 H 4.2011 8.1040 117.8623 58.7747 29.8522 176.9209 865 Q 3.8217 7.9535 121.6172 58.8281 28.8790 177.7557 866 L 4.0713 7.4888 122.8260 57.6234 41.8355 178.8342 867 M 3.1740 7.0996 117.2273 58.0411 32.0799 178.1614 868 L 3.9539 7.2668 118.8595 58.0607 41.6433 179.3467 869 D 4.3159 7.9418 118.5023 57.7463 40.6003 178.8446 870 C 4.2488 7.6660 116.8345 61.4620 27.8378 174.4620 871 W 4.1276 7.2767 119.7506 55.3874 30.3294 176.1918 872 Q 4.3930 7.8335 118.1285 55.0820 29.2644 175.9168 873 K 3.9751 9.2175 124.6099 59.5336 32.3493 176.0891 874 D 4.5663 8.0640 120.3373 52.9275 41.1898 176.4247 875 R 3.9909 8.7225 124.6610 59.4315 29.4263 178.6240 876 N 4.4518 8.0962 114.7736 55.6397 38.5751 175.5215 877 H 4.7044 7.9289 114.0855 56.7235 29.4973 176.1377 878 R 4.2521 7.5746 118.4389 55.1992 30.3807 174.7506 879 P 4.4048 0.0000 0.0000 62.6304 32.1836 176.5413 880 K 4.4225 8.0099 118.9926 54.9800 35.1305 178.1233 881 F 4.1664 8.5810 120.2305 60.5060 38.7750 178.3893 882 G 3.6200 8.0939 105.0818 47.9109 0.0000 175.6526 883 Q 3.9943 7.9739 120.5044 58.6270 28.8502 178.5266 884 I 3.6379 7.9558 121.1937 64.4726 37.0222 178.5720 885 V 3.5770 7.8882 118.6744 66.1453 31.3405 177.7452 886 N 4.3057 8.1741 116.1305 56.6407 38.3017 177.4013 887 T 3.8485 8.3083 117.3917 66.7627 68.3964 176.5825 888 L 4.0166 7.9930 120.6668 57.9685 41.7261 179.3289 889 D 4.3654 8.3530 119.1069 57.2454 40.8344 178.7848 890 K 3.9806 8.4306 120.5210 59.7536 31.9515 178.8392 891 M 4.2249 7.5159 119.2159 57.6719 31.8537 178.4600 892 I 3.9343 7.2175 119.5666 64.1374 37.3498 178.1036 893 R 4.2076 7.6877 118.2260 57.9425 31.2232 177.7035 894 N 4.8493 7.8125 120.1199 49.6404 36.7586 173.0390 895 P 4.4057 0.0000 0.0000 66.3456 32.0233 177.8955 896 N 4.6115 8.1095 114.2373 54.6694 38.3226 176.4839 897 S 4.3384 8.5780 113.7966 59.7411 63.5237 175.3526 898 L 4.6270 7.7009 122.6015 55.1539 41.7273 178.0280 899 K 4.0202 7.7332 122.0405 56.8623 32.0432 181.0811 900 A 4.1151 7.7942 122.1006 52.5278 17.3428 176.9962 901 M 4.1932 8.3825 119.9661 56.6365 32.3512 176.1706 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 621 S 8.33 4.31 0.00 3.78 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 622 K 8.91 3.56 0.00 1.87 1.68 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.47 7.81 623 E 9.55 4.65 0.00 1.97 1.81 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 0.00 2.25 2.38 0.00 624 I 8.95 4.51 1.85 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 1.09 0.71 0.90 0.00 0.00 625 D 8.51 4.51 0.00 2.67 2.52 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 0.00 626 I 8.57 3.70 1.87 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 1.47 1.06 0.91 0.00 0.00 627 S 8.39 4.23 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 628 C 8.39 4.38 0.00 3.04 3.08 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 0.00 0.00 0.00 0.00 629 V 7.62 4.59 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 0.73 0.00 0.00 0.92 0.00 0.00 630 K 8.43 4.55 0.00 1.45 1.64 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 1.26 7.81 631 I 8.54 3.96 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 1.19 0.94 0.91 0.00 0.00 632 E 9.10 4.63 0.00 1.69 1.84 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 2.18 2.11 0.00 633 Q 7.42 4.57 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.10 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 634 V 8.49 4.51 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 0.87 0.00 0.00 1.04 0.00 0.00 635 I 8.64 4.55 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.94 1.10 0.00 0.00 636 G 7.47 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 0.00 0.00 0.00 637 A 8.76 5.01 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 0.00 638 G 9.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 639 E 8.65 4.06 0.00 1.87 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 0.00 2.19 1.57 0.00 640 F 8.78 4.56 0.00 3.17 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 0.00 641 G 6.70 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 0.00 0.00 0.00 0.00 642 E 8.15 4.64 0.00 1.96 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 0.00 2.42 2.32 0.00 643 V 8.83 4.80 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 1.07 0.00 0.00 1.04 0.00 0.00 644 C 9.59 5.50 0.00 2.82 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 0.00 645 S 8.43 4.88 0.00 3.23 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 0.00 646 G 6.59 3.68 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 0.00 0.00 0.00 647 H 7.88 5.41 0.00 3.17 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 648 L 9.05 5.04 0.00 1.66 1.47 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 649 K 9.00 4.87 0.00 1.74 1.68 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.42 7.81 650 L 8.19 4.31 0.00 1.75 1.56 0.91 1.04 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 0.00 651 P 0.00 4.05 0.00 2.03 2.02 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 652 G 9.12 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 0.00 0.00 0.00 0.00 653 K 7.01 4.24 0.00 1.85 1.76 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.41 7.81 654 R 8.15 4.29 0.00 1.81 1.86 0.00 3.23 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 655 E 8.70 4.48 0.00 1.99 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 0.00 2.39 2.40 0.00 656 I 8.70 4.84 1.93 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 1.28 1.16 1.00 0.00 0.00 657 F 8.80 4.96 0.00 2.83 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 0.00 658 V 8.08 4.63 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 0.64 0.00 0.00 0.82 0.00 0.00 659 A 8.85 5.18 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 0.00 660 I 9.04 4.66 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.92 0.92 0.00 0.00 661 K 8.83 4.98 0.00 1.99 2.09 0.00 1.63 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.45 7.81 662 T 9.00 5.13 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 1.23 0.00 0.00 663 L 7.69 4.27 0.00 0.59 1.17 0.56 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 664 K 8.51 4.26 0.00 1.83 1.73 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.40 7.81 665 S 8.69 4.36 0.00 3.99 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 0.00 666 G 8.36 3.75 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 0.00 0.00 0.00 667 Y 7.08 4.30 0.00 3.10 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 0.00 668 T 8.34 4.40 4.31 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 1.25 0.00 0.00 669 E 8.74 4.05 0.00 2.16 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 2.42 2.48 0.00 670 K 8.07 3.99 0.00 1.92 1.86 0.00 1.83 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.83 1.59 7.81 671 Q 8.18 4.33 0.00 2.61 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 672 R 8.19 3.63 0.00 1.72 2.09 0.00 3.19 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 1.46 1.23 0.00 673 R 8.06 3.90 0.00 2.13 1.95 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 674 D 8.28 4.33 0.00 2.73 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 0.00 675 F 7.61 3.46 0.00 1.99 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 0.00 676 L 7.91 3.82 0.00 1.62 1.56 0.86 0.45 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 0.00 677 S 7.62 4.04 0.00 4.06 4.26 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 0.00 678 E 7.68 3.87 0.00 2.03 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 2.29 2.49 0.00 679 A 7.51 3.86 1.14 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 0.00 0.00 0.00 680 S 7.48 3.97 0.00 3.94 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 0.00 681 I 8.20 3.87 2.12 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 1.48 1.74 1.08 0.00 0.00 682 M 8.00 3.68 0.00 1.74 1.89 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 683 G 7.60 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.49 4.02 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 685 F 6.49 5.18 0.00 2.97 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 0.00 686 D 8.73 4.35 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.84 4.45 0.00 1.56 2.46 0.00 5.73 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 688 P 0.00 4.30 0.00 2.11 2.04 0.00 2.95 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 689 N 8.33 4.96 0.00 2.79 2.90 0.00 0.00 6.52 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 690 V 7.62 4.83 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 0.77 0.00 0.00 0.90 0.00 0.00 691 I 8.45 3.66 2.00 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 1.18 0.97 0.93 0.00 0.00 692 H 9.42 4.37 0.00 3.25 3.24 0.00 5.76 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 0.00 693 L 8.02 4.52 0.00 1.51 1.37 0.90 0.91 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 0.00 694 E 8.99 4.03 0.00 2.01 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 2.33 2.40 0.00 695 G 6.90 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 0.00 0.00 0.00 696 V 7.70 4.75 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 0.67 0.00 0.00 0.94 0.00 0.00 697 V 8.75 4.73 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 1.11 0.00 0.00 0.98 0.00 0.00 698 T 9.05 4.49 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 1.18 0.00 0.00 699 K 8.49 4.09 0.00 1.77 1.92 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.42 7.81 700 S 7.76 4.84 0.00 3.93 3.82 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 0.00 701 T 8.11 4.63 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 1.30 0.00 0.00 702 P 0.00 4.57 0.00 2.21 2.11 0.00 3.78 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 2.00 1.96 0.00 703 V 8.12 4.02 1.92 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 1.06 0.00 0.00 0.77 0.00 0.00 704 M 9.36 5.52 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 705 I 8.79 4.58 1.70 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.43 0.73 0.00 0.00 706 I 8.33 4.70 1.83 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 1.25 0.76 0.91 0.00 0.00 707 T 8.77 4.84 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 708 E 8.78 4.30 0.00 2.20 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 2.37 2.32 0.00 709 F 8.78 4.71 0.00 2.95 3.08 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 0.00 0.00 0.00 0.00 710 M 7.58 4.20 0.00 2.00 1.75 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 2.49 2.32 0.00 711 E 7.92 3.42 0.00 1.92 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 0.00 2.34 2.58 0.00 712 N 7.77 4.51 0.00 2.24 1.73 0.00 0.00 7.08 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 713 G 8.00 3.65 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 0.00 0.00 0.00 714 S 8.41 4.64 0.00 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 715 L 8.77 4.18 0.00 1.92 1.94 1.08 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 716 D 8.14 4.45 0.00 3.03 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 0.00 717 S 8.14 4.22 0.00 4.15 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 0.00 718 F 8.13 4.63 0.00 3.32 3.45 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 0.00 719 L 8.54 4.16 0.00 1.93 1.76 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 720 R 7.80 4.16 0.00 2.01 2.02 0.00 3.22 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 721 Q 7.81 4.32 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 722 N 7.83 4.62 0.00 2.28 1.96 0.00 0.00 6.56 8.10 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 0.00 723 D 7.98 3.70 0.00 2.42 2.35 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 0.00 724 G 5.38 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 725 Q 7.10 4.26 0.00 1.21 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.63 6.64 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 726 F 7.65 5.31 0.00 3.14 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 0.00 727 T 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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 1.09 0.00 0.00 1.21 0.00 0.00 824 M 8.00 3.81 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 825 W 8.08 4.00 0.00 3.60 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 0.00 826 E 8.62 4.04 0.00 2.36 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 0.00 2.60 2.79 0.00 827 V 7.98 3.45 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 0.89 0.00 0.00 0.95 0.00 0.00 828 M 7.58 3.89 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.82 0.00 829 S 7.40 4.22 0.00 3.46 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 0.00 830 Y 8.60 3.24 0.00 3.11 3.06 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 0.00 0.00 0.00 831 G 8.51 4.10 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 1.20 0.00 0.00 840 N 8.66 4.25 0.00 2.69 2.83 0.00 0.00 6.53 7.41 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 0.00 841 Q 7.91 3.92 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 842 D 7.83 4.24 0.00 2.88 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 0.00 843 V 7.90 3.22 1.92 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 0.52 0.00 0.00 844 I 7.39 3.54 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 0.80 0.00 0.00 845 N 8.39 4.32 0.00 2.64 2.81 0.00 0.00 6.96 7.88 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 0.00 846 A 8.36 3.94 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 0.00 847 I 7.93 3.93 1.83 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 1.58 1.00 1.03 0.00 0.00 848 E 8.00 4.00 0.00 2.00 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 0.00 2.30 2.35 0.00 849 Q 7.81 4.35 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.40 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 850 D 7.92 4.56 0.00 2.93 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 0.00 851 Y 8.13 4.45 0.00 2.92 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 852 R 6.86 4.30 0.00 1.65 1.76 0.00 3.50 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 853 L 7.56 3.55 0.00 0.83 0.74 -1.16 -0.56 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 0.00 854 P 0.00 4.66 0.00 2.35 2.15 0.00 4.08 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 855 P 0.00 4.42 0.00 2.01 1.89 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.45 0.00 856 P 0.00 4.40 0.00 1.97 1.40 0.00 3.54 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.95 0.00 857 M 8.41 4.07 0.00 1.99 2.00 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 2.59 2.59 0.00 858 D 8.62 4.40 0.00 2.89 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 0.00 859 C 7.57 4.55 0.00 2.80 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 0.00 860 P 0.00 4.36 0.00 2.20 2.11 0.00 3.64 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 861 S 8.92 4.20 0.00 4.05 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 0.00 862 A 7.93 4.02 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 0.00 863 L 8.00 3.98 0.00 1.84 1.66 0.88 0.97 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 0.00 864 H 8.10 4.20 0.00 3.16 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 Q 7.95 3.82 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 866 L 7.49 4.07 0.00 1.79 1.67 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 867 M 7.10 3.17 0.00 0.51 1.60 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 2.53 2.10 0.00 868 L 7.27 3.95 0.00 1.68 1.65 0.86 1.01 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 0.00 869 D 7.94 4.32 0.00 2.71 2.64 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 0.00 870 C 7.67 4.25 0.00 2.54 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 871 W 7.28 4.13 0.00 3.08 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 0.00 0.00 0.00 872 Q 7.83 4.39 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 873 K 9.22 3.98 0.00 1.83 1.95 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 874 D 8.06 4.57 0.00 2.65 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 0.00 0.00 0.00 0.00 875 R 8.72 3.99 0.00 2.04 2.19 0.00 3.02 0.00 0.00 3.47 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 876 N 8.10 4.45 0.00 2.89 2.95 0.00 0.00 7.03 8.17 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 0.00 877 H 7.93 4.70 0.00 3.27 3.34 0.00 5.68 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 0.00 878 R 7.57 4.25 0.00 1.96 1.85 0.00 3.28 0.00 0.00 3.56 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.71 0.00 879 P 0.00 4.40 0.00 1.89 1.91 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 880 K 8.01 4.42 0.00 1.78 1.70 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.59 7.81 881 F 8.58 4.17 0.00 3.04 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 0.00 882 G 8.09 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 Q 7.97 3.99 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 884 I 7.96 3.64 1.90 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.72 0.00 0.00 885 V 7.89 3.58 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.98 0.00 0.00 886 N 8.17 4.31 0.00 2.89 2.85 0.00 0.00 7.10 6.34 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 0.00 887 T 8.31 3.85 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 888 L 7.99 4.02 0.00 1.88 1.74 1.02 0.90 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 0.00 889 D 8.35 4.37 0.00 2.85 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 0.00 890 K 8.43 3.98 0.00 1.80 1.97 0.00 1.63 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 1.43 1.48 7.81 891 M 7.52 4.22 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.43 0.00 892 I 7.22 3.93 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 1.74 0.74 0.91 0.00 0.00 893 R 7.69 4.21 0.00 1.98 2.00 0.00 3.12 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 894 N 7.81 4.85 0.00 2.87 2.94 0.00 0.00 7.10 7.25 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 0.00 895 P 0.00 4.41 0.00 2.20 2.18 0.00 3.59 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 896 N 8.11 4.61 0.00 2.75 2.85 0.00 0.00 6.94 7.19 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 0.00 897 S 8.58 4.34 0.00 3.96 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 0.00 898 L 7.70 4.63 0.00 1.78 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 899 K 7.73 4.02 0.00 1.77 1.72 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.25 7.81 900 A 7.79 4.12 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 0.00 901 M 8.38 4.19 0.00 1.97 1.95 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 2.58 2.59 0.00 * Residues marked with a * may have inaccurate shift predictions.