NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 609 V 4.6646 7.8132 119.7010 62.1743 33.4952 177.2361 610 H 4.7360 7.8134 115.9059 55.9294 29.0656 173.6683 611 E 3.6719 9.0491 121.3121 58.4901 30.4582 176.8678 612 F 4.9263 7.7444 110.8226 56.6701 40.7899 174.2482 613 A 4.8947 8.0762 124.4736 49.7895 21.7564 175.2526 614 K 4.3036 8.5103 124.5832 56.0978 33.7730 175.3927 615 E 4.7073 8.7417 128.6108 56.0574 29.9882 175.7395 616 L 4.5326 8.9605 128.0320 53.6637 43.4389 176.1879 617 D 4.4856 8.5632 121.9003 53.3470 42.0177 177.1213 618 A 4.0343 8.7467 129.9171 55.2207 18.5840 179.1382 619 T 4.0210 8.2163 105.2314 64.0266 69.0131 174.9632 620 N 4.6677 8.3362 119.1199 53.4004 39.0771 173.9049 621 I 5.0049 7.5313 120.4615 59.3766 39.2096 175.1922 622 S 4.8681 8.8621 121.5157 56.5207 65.9464 172.8878 623 I 4.3179 8.2678 122.5087 60.0969 38.5374 174.0584 624 D 4.7080 9.3100 128.2732 54.8680 41.1042 175.9543 625 K 4.6703 7.8105 114.4529 55.3419 36.8010 174.6117 626 V 4.2617 8.3499 121.5435 63.1261 32.0152 175.5099 627 V 4.5583 8.7046 120.1453 60.6801 35.5773 177.1112 628 G 3.3867 9.1746 109.7054 44.7604 0.0000 173.6322 629 A 3.6467 8.5455 120.4978 52.9708 16.8780 178.4380 630 G 4.0164 8.1995 108.8527 46.5886 0.0000 176.3676 631 E 3.7690 7.3849 117.1412 58.6959 29.5162 177.8538 632 F 4.1616 7.2999 115.4456 56.9778 39.9360 175.7039 633 G 3.9212 7.7767 106.6021 44.0209 0.0000 173.9048 634 E 4.3909 8.6851 116.0934 55.0213 28.8256 175.7156 635 V 5.0522 8.0373 122.7511 60.7225 35.3343 173.4884 636 C 5.5134 9.3417 124.5678 58.0420 32.2517 173.2244 637 S 4.8049 8.7121 115.9728 57.4713 65.4827 173.7903 638 G 3.8136 7.4356 104.6995 46.6370 0.0000 172.3456 639 R 5.2670 8.2514 118.7477 54.2619 34.6523 174.5510 640 L 5.2029 8.8127 123.0741 53.2263 45.4703 174.9821 641 K 4.7255 8.8315 128.3688 55.1009 32.9492 176.4957 642 L 4.3984 8.9909 128.4123 53.3351 42.5830 176.3933 643 P 4.2431 0.0000 0.0000 65.7372 31.2250 178.0880 644 S 4.2452 7.8803 109.9681 58.7536 63.0717 175.0574 645 K 4.0890 8.2739 120.5709 56.2442 31.0393 176.6404 646 K 4.0464 7.6853 120.6856 56.4534 32.6666 174.8221 647 E 5.3283 8.6240 124.9004 54.5850 31.6104 175.2351 648 I 4.7487 8.5784 116.8774 58.9184 41.4683 174.8349 649 S 4.8141 8.6228 119.2676 58.8123 63.7148 174.0138 650 V 4.8306 8.6800 115.4238 59.8269 36.4722 173.9751 651 A 5.2157 8.9005 124.3812 50.6769 21.5801 176.2324 652 I 4.8744 9.0806 121.7556 59.4439 40.8531 174.2971 653 K 5.1857 9.3281 129.6520 54.9948 34.0171 175.0420 654 T 5.1199 8.7018 117.7497 59.8598 71.1767 173.6475 655 L 3.9136 7.8871 126.2896 53.5590 42.4805 176.7967 656 K 4.0072 8.5812 125.0506 56.6770 33.0867 176.3843 657 V 3.6633 8.1947 121.0846 64.6738 31.8450 175.9350 658 G 3.7474 8.7197 114.2536 46.0010 0.0000 173.1320 659 Y 4.3947 6.9560 115.9899 56.8373 38.5850 176.6253 660 T 4.3791 8.9671 112.9209 60.8570 71.5256 175.8919 661 E 4.0778 8.6239 120.7771 59.5202 29.4102 179.4299 662 K 3.9230 8.1254 119.1012 59.7528 32.2134 178.5685 663 Q 4.0322 8.1681 118.2269 58.8877 28.5939 178.9181 664 R 3.6605 8.1561 119.6789 59.3641 30.1014 178.3450 665 R 3.9286 8.2701 118.8360 59.7391 30.0021 178.2140 666 D 4.3415 8.4488 118.7075 57.1838 40.7128 178.3532 667 F 4.0735 8.4172 121.2383 61.5899 39.4353 177.3127 668 L 4.1036 8.6659 118.9323 57.4553 41.3553 179.7182 669 G 3.5931 8.4211 106.3164 47.4704 0.0000 175.3217 670 E 3.8225 8.1670 121.4256 59.1712 29.6129 178.8040 671 A 3.8808 7.4795 120.7377 55.2579 18.3796 179.7555 672 S 4.0848 8.0386 113.6120 61.6695 62.8931 177.0536 673 I 3.3191 7.5969 122.3708 64.6390 36.9138 178.3833 674 M 4.0684 7.8920 119.5536 58.2914 31.5567 178.9191 675 G 4.1400 7.7249 105.6545 46.4713 0.0000 175.1201 676 Q 3.8832 6.9516 118.9710 56.0519 28.7051 175.6847 677 F 5.0019 7.2990 118.4947 55.8708 39.9026 174.6754 678 D 4.8105 8.7904 126.5417 52.8292 41.3115 174.5211 679 H 4.6396 8.0932 124.4708 53.8323 32.8394 172.7140 680 P 4.3052 0.0000 0.0000 64.8360 31.4419 176.9394 681 N 5.0104 8.3459 114.7126 52.6351 39.2201 173.1904 682 I 4.9079 7.4803 118.5031 58.9171 40.2584 175.4868 683 I 3.7645 8.3149 126.8373 61.8162 38.6252 175.0430 684 R 4.2551 9.1845 130.4858 55.4269 31.2060 174.9154 685 L 4.3422 8.4659 129.4099 55.1716 41.9976 176.2998 686 E 4.1457 9.3434 127.5422 57.1204 30.4580 177.2302 687 G 4.0319 6.8719 103.6739 46.4110 0.0000 171.4356 688 V 5.1250 8.3566 112.3302 59.4321 36.3118 175.3095 689 V 4.8847 8.8034 122.5611 61.6913 33.1376 176.0777 690 T 4.4959 9.7688 117.0588 61.5518 70.3331 175.0781 691 K 4.2522 8.4357 119.5781 57.2894 32.5253 175.9901 692 S 4.8146 7.6621 111.9611 56.4152 66.3015 172.9417 693 K 4.7973 8.1730 118.6680 53.5575 35.2540 174.8785 694 P 4.3645 0.0000 0.0000 62.6263 32.1370 176.5760 695 V 4.0549 8.0668 121.6131 63.4639 32.7896 174.6241 696 M 5.6743 9.2261 125.3980 53.8382 36.9260 173.9647 697 I 4.6640 8.9017 122.4208 59.5038 40.2043 174.6439 698 V 4.9699 8.8295 127.4240 61.2939 34.0261 174.4935 699 T 5.3159 8.8017 117.3625 59.0879 72.6039 172.9477 700 E 4.3564 8.5924 120.1186 56.9705 30.2077 175.7898 701 Y 4.6331 8.4743 122.2232 56.9143 40.5436 174.8706 702 M 4.2764 7.6910 125.6784 53.1598 32.9632 176.1431 703 E 3.3905 8.2451 124.3826 58.6523 29.7937 178.1202 704 N 4.5815 7.7384 113.7041 52.3099 39.7407 177.1973 705 G 3.9557 7.6404 107.3179 45.7824 0.0000 173.2903 706 S 4.9878 8.6904 115.3798 58.2247 65.3297 175.0032 707 L 4.1492 8.9210 126.2928 58.1889 41.9842 179.2594 708 D 4.4736 8.2080 119.1330 56.6509 39.2962 178.6464 709 S 4.2461 7.5295 114.4694 60.7294 63.3697 175.9411 710 F 4.4715 8.5640 124.2789 61.3805 39.2062 177.2166 711 L 4.2297 8.6077 118.9212 57.8799 41.1689 179.7267 712 R 4.1256 7.9930 117.2624 58.8644 30.0365 178.5764 713 K 4.1565 7.6642 116.5718 57.7216 32.6494 176.6210 714 H 4.9100 8.0308 116.9504 53.2417 29.7999 172.9586 715 D 3.7043 8.2246 118.1471 55.6968 41.1835 175.4003 716 A 3.2221 5.8000 127.1818 53.0956 15.8072 177.4540 717 Q 4.2100 7.3977 116.8489 57.1068 29.6440 175.6761 718 F 5.1444 7.8864 116.9291 55.8764 41.4128 176.1894 719 T 4.3736 8.9096 113.7808 61.1451 70.8676 176.0173 720 V 3.6273 8.3488 121.0572 66.5053 31.4698 178.2672 721 I 3.7327 7.7925 118.8731 64.4008 36.9347 178.2489 722 Q 3.9685 8.2610 118.9208 59.0214 28.5798 178.8982 723 L 3.8988 8.0081 119.9765 57.7062 41.5879 179.7475 724 V 3.7148 8.2882 118.8391 65.7871 31.4148 178.2827 725 G 3.6271 8.2975 105.6889 47.9611 0.0000 175.4137 726 M 3.9833 7.9066 121.1272 58.3002 31.9623 178.9286 727 L 4.0743 7.9997 118.9135 57.7773 41.6941 179.5956 728 R 4.0133 8.6145 119.3301 59.2900 30.0002 178.7955 729 G 3.5962 8.1068 105.5812 47.8132 0.0000 175.7259 730 I 3.7124 7.8459 122.1549 64.1437 37.1755 178.3887 731 A 3.7135 8.3848 121.7515 55.0692 18.1284 179.6735 732 S 4.0866 8.4138 112.0017 61.3480 62.4337 176.5130 733 G 3.4403 8.1017 108.4582 48.2210 0.0000 175.6088 734 M 3.6006 7.8455 121.3495 57.3787 31.5766 178.7645 735 K 3.9605 7.8761 121.7339 59.0031 32.3575 178.2866 736 Y 4.1065 7.7415 119.6800 60.5996 38.7250 177.6815 737 L 3.2608 7.7206 120.2737 57.6650 41.8096 179.7634 738 S 4.1310 8.1700 114.4137 61.6336 62.7335 176.1850 739 D 4.4909 8.0953 121.6778 56.8150 40.5850 177.7058 740 M 4.3268 7.4210 116.6865 54.6657 32.2468 177.0387 741 G 3.8574 7.8698 107.4681 45.6688 0.0000 172.7584 742 Y 4.2835 7.8892 121.2080 56.1071 39.2922 174.7910 743 V 4.2062 7.5989 127.2797 61.4300 32.4418 174.8398 744 H 4.0066 9.9205 128.1703 58.9643 29.8492 177.5910 745 R 4.3237 8.7884 115.2276 56.5294 29.2426 175.7806 746 D 4.7698 7.6979 116.2405 53.1094 41.4557 175.4398 747 L 3.9168 8.1697 120.5931 54.6479 42.6116 175.2189 748 A 4.5608 7.9752 127.1008 50.5933 22.0723 176.4984 749 A 4.0921 9.3956 124.1031 55.1738 18.6340 180.6890 750 R 4.6256 7.8852 110.5311 58.3732 29.7947 177.0106 751 N 4.7358 8.3000 115.5246 52.9412 38.8197 173.6174 752 I 4.8487 7.7469 120.6030 59.6196 39.6816 174.7786 753 L 5.2112 8.7042 126.2415 53.1223 44.8168 175.2623 754 I 4.9207 8.3166 121.4155 59.4397 41.5338 174.7767 755 N 5.0784 8.4528 127.3009 51.3225 39.8531 175.6286 756 S 4.1885 8.4939 112.4516 61.1753 62.9814 174.7630 757 N 4.6700 8.2312 116.6230 52.6322 38.3484 175.1870 758 L 3.4989 7.8349 116.3932 55.1091 39.8951 174.5887 759 V 3.7061 7.6186 119.6247 62.9031 32.0418 174.3373 760 C 5.2498 8.3731 124.4336 58.2934 30.3218 173.3604 761 K 4.6937 8.7452 121.1829 54.4925 36.4776 175.9485 762 V 3.8725 8.8312 125.8139 63.3806 32.5896 174.9346 763 S 5.0281 8.2982 122.5418 57.8596 65.7793 172.0344 764 D 4.0363 7.6304 115.9764 54.2141 42.7401 175.5969 765 F 4.6990 8.6871 125.4583 56.8166 39.3689 177.0277 766 G 4.0478 8.4338 110.1312 44.9967 0.0000 173.6493 767 L 4.6892 7.8484 118.9830 53.8391 42.7016 177.6473 *787 P 4.4216 0.0000 0.0000 63.3330 31.6759 176.9650 788 I 3.7080 8.2856 127.8264 65.3180 37.4219 178.8539 789 R 3.6142 8.0969 117.0739 58.1498 29.8689 177.2917 790 W 4.7688 8.6007 115.9961 56.6604 29.9780 175.4880 791 T 4.6868 7.6515 116.3364 61.8233 69.5134 175.5823 792 S 2.7900 7.9623 120.1077 56.9404 65.0300 173.6916 793 P 3.8451 0.0000 0.0000 65.5382 31.0640 178.8779 794 E 3.8931 7.7283 115.7682 59.2784 29.5532 178.9345 795 A 3.3496 7.3272 121.2307 54.4546 17.9831 179.7425 796 I 3.5139 7.3780 117.6893 64.3761 37.2332 178.2252 797 A 4.2620 7.8509 121.0966 54.8044 17.0173 178.9118 798 Y 4.7148 8.0992 114.9740 56.5857 38.4029 175.0878 799 R 3.8241 7.5964 116.4349 58.0849 28.1586 177.7003 800 K 3.8249 6.3138 119.8352 55.2367 30.4776 174.0825 801 F 4.5638 8.1824 122.0689 55.5248 40.5290 175.4863 802 T 4.7872 8.9195 115.1108 59.0112 72.2466 174.9184 803 S 4.2914 8.6772 116.3794 61.5578 62.7230 176.7105 804 A 4.0747 7.9383 123.7842 54.6575 18.0701 179.6534 805 S 4.2792 8.0609 113.1084 61.4940 63.1745 176.4311 806 D 4.6383 8.1959 122.2451 57.2367 40.6328 178.6230 807 V 3.3883 7.9390 119.0132 65.4054 31.5236 177.7581 808 W 4.6877 8.2045 129.2486 60.2423 30.4987 178.0116 809 S 4.8006 8.5434 116.3132 61.4488 62.3464 176.1057 810 Y 4.1942 8.8539 122.7409 60.6881 38.5829 178.3435 811 G 3.3559 8.3931 106.6925 47.7523 0.0000 175.7181 812 I 4.0985 8.0760 121.9702 64.3103 37.1769 178.6796 813 V 3.9346 8.2885 119.4239 65.8779 31.3289 177.6354 814 L 3.7529 8.0683 120.4709 57.9421 41.8386 178.8353 815 W 4.1358 8.3977 128.1050 60.5327 30.6889 177.7321 816 E 4.0463 8.8197 118.9556 59.3872 28.9138 179.5709 817 V 3.4220 8.2422 118.4731 66.3779 31.4931 178.1109 818 M 3.9775 7.8093 116.3586 57.4238 31.5848 177.8349 819 S 4.3573 7.4302 114.2304 56.9625 63.4307 173.5063 820 Y 3.2039 8.6316 118.5245 59.2333 35.6368 171.5119 821 G 3.9970 8.7660 104.3794 45.5361 0.0000 173.7075 822 E 4.1213 7.4729 119.4413 55.9454 30.2871 176.6033 823 R 4.2884 8.6589 125.1106 55.1474 30.9195 174.0499 824 P 3.3260 0.0000 0.0000 63.7875 31.8636 175.5240 825 Y 2.6785 6.4877 117.8041 57.3548 36.5340 170.8761 826 W 3.4277 6.5167 121.6525 58.6389 28.6909 175.1765 827 E 4.7527 9.0606 123.9732 57.0956 29.2314 175.5548 828 M 4.1194 8.0092 118.3215 55.7988 32.7807 177.3940 829 S 4.2017 8.6741 117.5720 59.2497 64.8259 175.7499 830 N 4.2650 8.7795 122.7001 56.4952 38.3667 177.7516 831 Q 3.9499 7.9636 118.5741 59.2982 28.6449 178.1863 832 D 4.3017 7.8552 120.4081 56.8241 41.0496 178.5779 833 V 3.2443 7.7718 118.9533 65.8327 31.4078 178.2334 834 I 3.4989 7.6828 119.4886 64.2159 37.0039 178.4170 835 K 3.8856 8.0780 120.2392 59.3140 32.0233 178.7057 836 A 3.9804 8.1899 121.4310 55.2433 18.3463 179.8412 837 V 3.9951 7.5956 117.9736 65.7194 31.3801 177.7186 838 D 4.3649 7.8884 116.8868 57.2224 41.1518 177.3988 839 E 4.3080 8.0516 116.7181 56.8539 30.0069 177.5116 840 G 4.0753 8.2227 108.0539 44.9514 0.0000 173.3176 841 Y 4.7460 8.2429 118.2072 58.2100 39.1830 175.1269 842 R 4.5976 9.2104 120.5632 53.9974 35.2466 174.6183 843 L 4.0649 7.5859 120.6969 54.4579 41.9723 175.7571 844 P 4.7791 0.0000 0.0000 61.0890 32.5662 174.1781 845 P 3.9378 0.0000 0.0000 61.8881 31.8000 174.7501 846 P 4.2842 0.0000 0.0000 62.1862 31.9489 175.4047 847 M 4.1033 8.4212 120.0384 57.5271 32.3464 175.7113 848 D 4.4354 8.7686 123.6109 55.3156 38.7641 172.9881 849 C 4.2936 7.8448 120.4478 58.0682 32.1673 171.2537 850 P 4.6455 0.0000 0.0000 62.9172 32.5902 176.8141 851 A 4.0799 8.9049 124.1722 55.6625 18.2750 180.0777 852 A 3.9709 7.9939 118.3978 55.3449 18.5139 179.6615 853 L 4.0205 7.7450 116.9323 57.7490 41.8806 178.7849 854 Y 4.1573 8.1427 119.7150 60.6364 38.6388 177.6966 855 Q 3.7239 8.5150 121.0445 58.9214 29.0904 177.9558 856 L 3.7683 7.7078 121.3799 58.2301 42.0743 178.7393 857 M 3.0333 7.5886 118.4435 58.1309 31.5406 178.7176 858 L 3.7601 6.8598 117.2894 57.7971 41.7811 179.0957 859 D 4.3841 7.9929 118.9933 57.5697 40.6241 178.6721 860 C 4.1153 7.9176 116.9803 61.4697 27.6874 174.8956 861 W 4.1701 6.9026 119.2359 55.2164 29.8655 176.2636 862 Q 4.2175 7.2868 118.5896 55.7110 28.7881 176.6417 863 K 4.0752 8.9897 123.8817 59.4015 32.5448 176.3308 864 D 4.6300 8.0683 120.1525 52.9765 41.4010 176.5733 865 R 4.0006 8.7339 124.5571 59.3253 29.4994 178.6037 866 N 4.4250 8.6246 115.4045 55.5759 38.5331 175.3976 867 N 4.6810 8.0275 113.8828 53.3732 39.1593 175.6225 868 R 4.3701 7.5424 117.9361 54.7046 30.9259 174.7805 869 P 4.4806 0.0000 0.0000 62.5250 32.2780 176.7947 870 K 4.1770 8.8540 119.5936 55.5640 34.2427 178.3789 871 F 4.1101 8.4189 119.3937 60.8223 38.7709 177.5392 872 E 3.9397 8.2509 118.4548 59.4888 29.3543 178.8338 873 Q 4.0149 7.9522 117.5895 58.7436 28.8464 178.4159 874 I 3.5962 7.7580 120.9425 64.3071 37.0517 178.5240 875 V 3.5560 7.9524 119.2251 66.1173 31.3318 177.9751 876 S 4.0722 8.1096 112.7677 61.3522 62.3096 176.1296 877 I 3.6770 7.9724 122.6915 64.5236 36.8326 178.4914 878 L 4.0548 8.0854 119.7573 57.8155 41.0217 179.2532 879 D 4.3981 8.4863 119.3138 57.2936 40.4863 179.0141 880 K 4.0655 7.8882 118.2513 59.4652 32.3601 179.1577 881 L 4.1563 7.8575 119.0236 57.6726 41.2808 179.4975 882 I 3.9894 8.1412 122.1091 64.7840 37.0935 178.6465 883 R 4.0806 7.6372 120.4226 58.9753 30.3031 179.7253 884 N 4.4139 8.4666 114.6263 53.8602 34.5757 177.6626 885 P 4.2506 0.0000 0.0000 65.5350 32.4798 178.0328 *888 L 4.2692 7.5233 122.1769 53.6602 43.7600 177.7259 889 K 4.2086 7.9663 115.3513 57.3038 32.6545 176.6445 890 I 4.0056 7.6058 121.6073 60.8312 37.3260 174.9148 891 I 4.7450 8.0253 126.5840 59.4916 39.9001 177.9860 892 T 4.2450 7.5375 112.0265 61.6186 67.9961 174.8964 *900 N 4.7076 8.9161 115.5314 53.2972 40.1559 174.1762 901 L 4.7118 7.8288 115.7801 54.4957 43.1260 175.7755 902 L 4.8424 8.9364 121.4432 52.9097 44.4281 175.9131 903 L 3.7329 8.5504 125.6689 54.6034 41.9366 176.3724 904 D 4.5364 8.4697 125.6225 54.3381 41.4213 176.2342 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 609 V 7.81 4.66 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 0.49 0.00 0.00 0.92 0.00 0.00 610 H 7.81 4.74 0.00 3.29 3.33 0.00 5.93 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 0.00 611 E 9.05 3.67 0.00 1.65 1.51 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 1.47 1.83 0.00 612 F 7.74 4.93 0.00 3.05 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 613 A 8.08 4.89 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 0.00 614 K 8.51 4.30 0.00 1.86 1.69 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.43 7.81 615 E 8.74 4.71 0.00 1.95 1.80 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 2.28 2.41 0.00 616 L 8.96 4.53 0.00 1.53 1.58 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 617 D 8.56 4.49 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 A 8.75 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 619 T 8.22 4.02 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 620 N 8.34 4.67 0.00 2.93 3.01 0.00 0.00 6.66 7.21 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 0.00 621 I 7.53 5.00 1.99 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 1.29 0.59 0.91 0.00 0.00 622 S 8.86 4.87 0.00 3.86 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 0.00 623 I 8.27 4.32 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 1.23 0.64 0.91 0.00 0.00 624 D 9.31 4.71 0.00 2.55 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 625 K 7.81 4.67 0.00 1.87 1.83 0.00 1.39 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.38 7.81 626 V 8.35 4.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 627 V 8.70 4.56 2.33 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 0.92 0.00 0.00 1.21 0.00 0.00 628 G 9.17 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 629 A 8.55 3.65 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 0.00 630 G 8.20 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 0.00 0.00 0.00 631 E 7.38 3.77 0.00 1.79 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 632 F 7.30 4.16 0.00 2.96 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 0.00 633 G 7.78 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 0.00 0.00 0.00 634 E 8.69 4.39 0.00 2.13 2.07 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 2.40 2.34 0.00 635 V 8.04 5.05 2.29 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 1.09 0.00 0.00 1.09 0.00 0.00 636 C 9.34 5.51 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 637 S 8.71 4.80 0.00 3.02 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 0.00 638 G 7.44 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 639 R 8.25 5.27 0.00 1.69 1.76 0.00 3.04 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 640 L 8.81 5.20 0.00 1.70 1.45 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 641 K 8.83 4.73 0.00 1.79 1.85 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.53 7.81 642 L 8.99 4.40 0.00 1.77 1.57 0.92 0.90 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 0.00 643 P 0.00 4.24 0.00 2.03 2.11 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 644 S 7.88 4.25 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 645 K 8.27 4.09 0.00 1.93 2.09 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.50 7.81 646 K 7.69 4.05 0.00 1.78 1.67 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81 647 E 8.62 5.33 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 648 I 8.58 4.75 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.02 0.91 0.00 0.00 649 S 8.62 4.81 0.00 3.89 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 0.00 650 V 8.68 4.83 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.91 0.00 0.00 651 A 8.90 5.22 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 0.00 652 I 9.08 4.87 1.89 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 1.13 0.70 0.95 0.00 0.00 653 K 9.33 5.19 0.00 1.89 1.76 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.55 7.81 654 T 8.70 5.12 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 655 L 7.89 3.91 0.00 0.27 0.86 0.43 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 656 K 8.58 4.01 0.00 1.99 1.95 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.50 7.81 657 V 8.19 3.66 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 0.78 0.00 0.00 0.95 0.00 0.00 658 G 8.72 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 0.00 659 Y 6.96 4.39 0.00 3.07 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 0.00 660 T 8.97 4.38 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 1.22 0.00 0.00 661 E 8.62 4.08 0.00 2.04 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 2.45 2.36 0.00 662 K 8.13 3.92 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.57 7.81 663 Q 8.17 4.03 0.00 2.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 664 R 8.16 3.66 0.00 1.73 2.08 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 665 R 8.27 3.93 0.00 1.93 2.18 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 666 D 8.45 4.34 0.00 2.98 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 0.00 667 F 8.42 4.07 0.00 3.18 3.15 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 0.00 0.00 0.00 0.00 668 L 8.67 4.10 0.00 1.87 1.70 1.09 0.82 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 0.00 669 G 8.42 3.59 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 0.00 0.00 0.00 670 E 8.17 3.82 0.00 1.98 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 2.13 2.23 0.00 671 A 7.48 3.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 672 S 8.04 4.08 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 673 I 7.60 3.32 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.98 0.76 0.00 0.00 674 M 7.89 4.07 0.00 1.99 2.11 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 2.77 2.47 0.00 675 G 7.72 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 676 Q 6.95 3.88 0.00 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.71 0.00 0.00 0.00 0.00 0.00 1.16 1.21 0.00 677 F 7.30 5.00 0.00 3.00 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 0.00 678 D 8.79 4.81 0.00 2.62 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 0.00 679 H 8.09 4.64 0.00 2.90 3.04 0.00 5.93 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 P 0.00 4.31 0.00 1.96 2.00 0.00 2.81 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 681 N 8.35 5.01 0.00 2.90 2.84 0.00 0.00 6.93 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 682 I 7.48 4.91 1.93 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 0.98 0.55 0.95 0.00 0.00 683 I 8.31 3.76 1.82 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 1.09 0.59 0.91 0.00 0.00 684 R 9.18 4.26 0.00 1.95 1.84 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 685 L 8.47 4.34 0.00 1.63 1.54 0.96 1.02 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 0.00 686 E 9.34 4.15 0.00 2.01 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 2.34 2.42 0.00 687 G 6.87 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 0.00 0.00 0.00 688 V 8.36 5.12 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 0.66 0.00 0.00 1.01 0.00 0.00 689 V 8.80 4.88 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 1.03 0.00 0.00 1.01 0.00 0.00 690 T 9.77 4.50 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 1.26 0.00 0.00 691 K 8.44 4.25 0.00 1.79 1.91 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.67 7.81 692 S 7.66 4.81 0.00 3.92 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 693 K 8.17 4.80 0.00 1.76 1.78 0.00 1.85 0.00 0.00 1.95 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.47 7.81 694 P 0.00 4.36 0.00 2.04 1.98 0.00 3.69 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 2.04 2.09 0.00 695 V 8.07 4.05 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 1.08 0.00 0.00 0.77 0.00 0.00 696 M 9.23 5.67 0.00 2.02 1.93 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 2.76 2.56 0.00 697 I 8.90 4.66 1.68 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.16 0.79 0.00 0.00 698 V 8.83 4.97 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 1.10 0.00 0.00 0.95 0.00 0.00 699 T 8.80 5.32 4.33 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 1.19 0.00 0.00 700 E 8.59 4.36 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 701 Y 8.47 4.63 0.00 2.80 2.90 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 0.00 702 M 7.69 4.28 0.00 1.83 1.69 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 2.45 2.32 0.00 703 E 8.25 3.39 0.00 1.79 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 2.37 2.40 0.00 704 N 7.74 4.58 0.00 2.37 1.91 0.00 0.00 7.05 7.73 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 0.00 705 G 7.64 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 706 S 8.69 4.99 0.00 4.35 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 0.00 707 L 8.92 4.15 0.00 1.91 1.96 1.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 708 D 8.21 4.47 0.00 3.05 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 0.00 709 S 7.53 4.25 0.00 4.20 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 0.00 710 F 8.56 4.47 0.00 3.45 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 0.00 711 L 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0.00 0.00 0.00 0.00 0.00 821 G 8.77 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 0.00 822 E 7.47 4.12 0.00 2.08 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 823 R 8.66 4.29 0.00 2.03 1.90 0.00 3.38 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 824 P 0.00 3.33 0.00 1.43 1.23 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.99 0.00 825 Y 6.49 2.68 0.00 2.86 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 0.00 826 W 6.52 3.43 0.00 3.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 827 E 9.06 4.75 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 828 M 8.01 4.12 0.00 2.05 2.18 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 3.11 2.68 0.00 829 S 8.67 4.20 0.00 4.01 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 830 N 8.78 4.26 0.00 2.78 2.82 0.00 0.00 6.84 7.94 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 0.00 831 Q 7.96 3.95 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 832 D 7.86 4.30 0.00 2.81 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 0.00 833 V 7.77 3.24 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 0.03 0.00 0.00 0.70 0.00 0.00 834 I 7.68 3.50 1.92 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 1.28 0.34 0.82 0.00 0.00 835 K 8.08 3.89 0.00 1.92 1.74 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.43 7.81 836 A 8.19 3.98 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 0.00 837 V 7.60 4.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.89 0.00 0.00 838 D 7.89 4.36 0.00 2.72 2.87 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 0.00 839 E 8.05 4.31 0.00 2.38 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 0.00 2.40 2.55 0.00 840 G 8.22 4.08 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 0.00 0.00 0.00 841 Y 8.24 4.75 0.00 3.08 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 842 R 9.21 4.60 0.00 1.78 1.72 0.00 3.18 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 843 L 7.59 4.06 0.00 0.66 0.36 -0.89 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 844 P 0.00 4.78 0.00 2.34 2.35 0.00 3.96 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 2.47 2.49 0.00 845 P 0.00 3.94 0.00 1.88 0.99 0.00 3.65 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 846 P 0.00 4.28 0.00 2.05 1.69 0.00 3.63 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.20 0.00 847 M 8.42 4.10 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 848 D 8.77 4.44 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 849 C 7.84 4.29 0.00 3.08 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 0.00 850 P 0.00 4.65 0.00 2.21 2.14 0.00 3.69 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 851 A 8.90 4.08 1.36 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 0.00 0.00 852 A 7.99 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 853 L 7.75 4.02 0.00 1.85 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 854 Y 8.14 4.16 0.00 3.08 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 0.00 855 Q 8.51 3.72 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 856 L 7.71 3.77 0.00 1.84 1.74 0.84 1.09 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 0.00 857 M 7.59 3.03 0.00 0.51 1.47 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 2.54 2.36 0.00 858 L 6.86 3.76 0.00 1.48 1.57 0.75 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 859 D 7.99 4.38 0.00 2.67 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 0.00 860 C 7.92 4.12 0.00 2.49 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 0.00 861 W 6.90 4.17 0.00 3.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 862 Q 7.29 4.22 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 863 K 8.99 4.08 0.00 1.82 1.92 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 864 D 8.07 4.63 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 R 8.73 4.00 0.00 2.05 2.20 0.00 3.01 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 866 N 8.62 4.43 0.00 2.89 2.93 0.00 0.00 7.00 8.62 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 0.00 867 N 8.03 4.68 0.00 2.86 2.85 0.00 0.00 7.03 7.65 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 0.00 868 R 7.54 4.37 0.00 1.95 1.81 0.00 3.39 0.00 0.00 3.65 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 869 P 0.00 4.48 0.00 2.04 1.96 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 870 K 8.85 4.18 0.00 1.73 1.74 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.60 7.81 871 F 8.42 4.11 0.00 3.04 2.92 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 0.00 872 E 8.25 3.94 0.00 2.06 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 2.38 2.42 0.00 873 Q 7.95 4.01 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 874 I 7.76 3.60 1.88 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.60 0.00 0.00 875 V 7.95 3.56 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 876 S 8.11 4.07 0.00 3.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 I 7.97 3.68 2.01 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 1.49 1.07 0.89 0.00 0.00 878 L 8.09 4.05 0.00 1.82 1.73 1.02 1.01 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 0.00 879 D 8.49 4.40 0.00 2.89 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 0.00 880 K 7.89 4.07 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.65 7.81 881 L 7.86 4.16 0.00 1.87 1.72 0.92 0.86 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 0.00 882 I 8.14 3.99 2.04 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 1.38 0.56 0.91 0.00 0.00 883 R 7.64 4.08 0.00 1.95 1.84 0.00 3.42 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 884 N 8.47 4.41 0.00 2.83 2.74 0.00 0.00 6.98 7.62 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 0.00 885 P 0.00 4.25 0.00 2.17 2.14 0.00 3.91 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 *888 L 7.52 4.27 0.00 1.72 1.87 0.93 0.60 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 0.00 889 K 7.97 4.21 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.46 7.81 890 I 7.61 4.01 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.93 0.00 0.00 891 I 8.03 4.74 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 1.58 0.81 0.90 0.00 0.00 892 T 7.54 4.24 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 1.30 0.00 0.00 *900 N 8.92 4.71 0.00 2.65 2.96 0.00 0.00 6.87 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 901 L 7.83 4.71 0.00 1.74 1.94 1.03 1.04 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 0.00 902 L 8.94 4.84 0.00 1.73 1.66 1.03 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 0.00 903 L 8.55 3.73 0.00 0.77 1.37 0.49 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 904 D 8.47 4.54 0.00 2.88 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.