NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 629 I 4.1464 8.0249 121.4545 60.1096 38.7030 175.6405 630 P 4.1779 0.0000 0.0000 62.7845 32.6853 175.5040 631 I 3.6829 9.1612 124.4892 64.9776 37.5656 178.1615 632 C 4.1814 8.4519 116.8366 63.4620 27.4991 176.5134 633 T 4.0867 7.8840 116.7582 66.3662 67.8979 176.7118 634 L 3.8924 7.4011 119.6276 57.7827 41.8170 179.5276 635 K 4.2740 8.4984 117.0661 59.2295 32.1926 177.8054 636 N 4.5589 7.9264 113.9838 53.4429 41.0218 175.2565 637 F 5.1273 6.9391 114.7052 55.3578 38.9800 173.1452 638 P 4.4698 0.0000 0.0000 62.6077 32.4247 176.9541 639 N 5.0006 8.7549 112.8824 52.3234 39.6700 174.0273 640 A 4.6560 7.6809 121.4921 49.3551 22.4555 176.6769 641 I 3.9189 8.4762 120.7329 64.1424 37.8479 178.1836 642 E 4.0241 8.0177 118.0040 59.4812 29.5155 178.7330 643 H 4.3177 8.4230 117.7306 58.8962 28.7059 177.7252 644 T 3.8514 7.8583 117.0079 66.7989 68.3853 176.4536 645 L 4.0966 8.1431 120.8001 57.7636 41.6188 179.3419 646 Q 3.9918 8.1411 119.3659 58.9738 29.0225 178.0916 647 W 4.1847 8.5382 129.1621 60.6133 30.6955 177.6036 648 A 4.1055 8.6315 120.8191 55.3434 17.9574 179.6092 649 R 3.6974 8.2703 117.1512 59.4878 30.0807 178.4164 650 D 4.3048 8.1162 118.7755 57.2385 40.7621 178.2183 651 E 3.6350 8.2370 120.0922 59.3125 29.5386 178.4051 652 F 3.8084 8.5082 120.5514 61.5569 39.3132 177.0179 653 E 4.1814 8.3064 117.6289 59.4841 29.1283 179.5229 654 G 3.5707 8.0765 103.9016 46.5695 0.0000 174.8713 655 L 4.1827 7.4068 120.0364 55.6129 42.8309 177.7953 656 F 4.8340 7.3780 114.5546 56.9374 39.6669 175.5523 657 K 4.2932 7.5747 117.4600 57.7469 34.3772 177.5430 658 Q 3.9985 8.3952 117.5589 58.7594 28.6228 177.3227 659 P 4.1891 0.0000 0.0000 65.7453 31.3223 178.2886 660 A 3.7726 7.8150 118.5381 55.0889 18.3194 178.8363 661 E 3.7913 8.1944 117.7286 59.6780 29.7072 178.8113 662 N 4.2755 8.3541 116.4767 56.4083 38.4332 177.5064 663 V 3.6028 7.7009 118.5133 65.9953 31.8780 177.6389 664 N 4.3869 8.2975 116.3821 56.3413 38.3748 177.2695 665 Q 3.8634 7.8355 119.3754 59.2667 28.5918 178.4671 666 Y 3.6997 7.2799 119.2367 60.2101 38.7786 177.3471 667 L 4.1503 7.4165 116.7545 55.2598 42.0234 176.9490 668 T 4.2300 7.7554 115.0367 64.8539 69.9518 174.7477 669 D 4.9001 7.6069 118.5506 53.0816 43.4148 175.7422 670 S 4.6247 8.2206 112.9823 59.3939 64.9990 176.3961 671 K 4.1262 8.0254 120.7311 58.5419 32.3807 178.3640 672 F 4.0039 8.0612 119.6345 61.6293 39.1663 176.9142 673 V 3.6692 8.0830 116.2127 66.6488 31.5368 177.0020 674 E 4.0169 8.2083 118.5822 58.2963 29.6391 178.0269 675 R 3.8176 8.4179 118.8326 60.1955 30.2618 178.6856 676 T 3.6420 7.7438 115.2335 66.5217 68.1515 176.2437 677 L 4.0946 7.6485 120.6224 57.1117 42.0642 177.9848 678 R 4.4006 7.3994 116.7191 55.2324 30.5764 175.5502 679 L 4.3611 7.0744 120.6462 53.1450 43.8211 175.6323 680 A 3.7324 8.6123 126.7271 52.2378 17.7936 180.7076 681 G 3.7927 8.4837 110.5066 47.2408 0.0000 173.4080 682 T 4.1533 8.0353 114.3947 63.5806 68.4047 175.7758 683 Q 4.2932 7.7718 121.4224 57.8996 28.7040 177.1566 684 P 4.1578 0.0000 0.0000 65.8713 31.2762 178.2909 685 L 3.9497 7.8869 116.5254 57.9851 41.5388 178.9191 686 E 3.9447 7.7613 118.1712 60.1860 29.4159 179.5114 687 V 3.6461 8.3054 118.1739 65.9515 31.6557 177.7201 688 L 3.9473 8.4240 118.9256 58.0962 41.5254 179.4748 689 E 4.1405 8.6587 118.0913 58.4475 29.5297 178.8730 690 A 3.9965 8.1222 121.4237 54.9837 18.3726 179.6284 691 V 3.4307 7.7668 116.3185 66.1953 31.3113 177.7037 692 Q 3.8462 7.7586 118.5909 59.3863 28.8327 178.4412 693 R 4.0413 8.3648 119.9109 59.4710 29.8514 178.5361 694 S 4.4472 8.4203 115.9148 60.3879 63.0222 176.0005 695 L 4.1864 8.1396 121.0983 56.7056 41.5024 176.3121 696 V 4.1945 8.0065 115.6585 63.3816 34.3698 177.0126 697 L 4.0050 7.9669 121.0843 58.1002 41.7482 178.6813 698 Q 4.4753 8.1675 113.7814 55.3925 29.1813 175.8956 699 R 3.4480 7.5322 119.7534 55.7017 30.1480 174.4139 700 P 4.5490 0.0000 0.0000 62.5337 32.3874 175.8343 701 Q 4.4806 9.1477 118.5228 56.3849 31.0158 175.4723 702 T 4.7998 7.6128 110.4124 58.8128 71.1149 174.0374 703 W 4.6271 8.9107 133.1978 60.5167 30.6409 178.1607 704 G 3.4523 8.1772 105.2258 47.5757 0.0000 175.2920 705 D 4.3846 7.8900 120.8225 57.3721 40.7973 178.5825 706 C 4.3294 7.8662 116.9358 62.8810 28.3812 176.1039 707 V 3.2903 7.3507 119.8421 65.9527 30.8891 178.3276 708 T 3.6528 7.7500 115.6120 66.1115 68.2642 176.3025 709 W 3.8861 8.2107 130.2195 60.3883 30.5928 177.6560 710 A 3.4628 8.1615 120.4530 55.3183 17.8790 179.0940 711 C 3.8361 7.7750 116.8441 62.9560 31.5470 175.5735 712 H 4.2127 8.1006 117.9050 59.0637 28.1877 177.3251 713 H 3.9218 8.0703 120.5807 58.5879 29.4609 177.0787 714 W 4.0340 8.6507 130.8179 60.8815 30.5363 177.7307 715 H 4.2497 8.4917 116.0998 59.0168 28.0279 177.8933 716 T 3.5505 7.7344 117.5298 66.7418 68.0657 176.6536 717 Q 3.6499 7.4431 118.3182 57.9526 28.9741 177.1318 718 Y 4.2522 6.9332 115.2884 58.3442 38.1798 175.7390 719 C 4.4921 7.2386 118.3656 59.5856 34.3432 175.1364 720 N 3.5515 8.5552 116.5919 56.6415 38.3321 177.2558 721 N 4.1620 8.1401 117.6529 56.1748 38.5183 177.8314 722 I 3.5791 7.3547 120.8320 64.5314 37.1676 178.3584 723 R 3.9346 7.8699 117.5719 59.3053 30.1014 178.7052 724 Q 4.2286 8.3567 119.7178 59.0285 29.0639 177.8591 725 L 4.1684 8.0506 121.4499 58.3219 42.1506 178.8955 726 L 4.5851 8.3228 119.7712 56.7918 41.2320 178.9562 727 H 4.2196 7.9540 118.2734 59.3098 30.0210 176.6986 728 N 4.3914 8.0833 116.3713 54.6706 39.1999 175.2900 729 F 4.6630 8.3006 118.7501 54.4072 40.4388 172.3237 730 P 5.0072 0.0000 0.0000 61.0368 32.1177 175.8077 731 P 4.3926 0.0000 0.0000 65.4760 31.2856 177.1194 732 D 4.9613 8.0076 115.3593 52.9425 39.9589 176.0108 733 Q 4.1403 8.4027 121.8006 56.7497 29.5535 175.2042 734 L 5.1626 8.2260 123.8383 53.2576 44.7342 176.1829 735 T 4.4636 8.6727 118.4179 62.3406 69.8656 176.3146 736 S 4.2019 8.4725 116.4612 61.3694 63.0905 175.2334 737 S 4.3136 8.0375 113.2992 58.2596 62.9363 174.9847 738 G 3.8700 8.0807 109.3341 45.6140 0.0000 174.0138 739 A 4.3061 7.4547 122.4303 50.7450 19.4055 175.0064 740 P 4.8143 0.0000 0.0000 62.1707 32.1817 176.9771 741 F 4.0266 9.3623 126.3013 61.0812 39.7859 176.3586 742 W 4.5138 7.8507 120.7287 55.0437 27.3687 175.0827 743 S 4.6665 7.0750 112.8367 57.7144 66.9527 175.7557 744 G 3.9232 8.3422 114.5927 46.0207 0.0000 173.9152 745 P 4.4641 0.0000 0.0000 63.1504 30.9007 175.6555 746 K 4.6999 7.6337 118.6129 54.8111 34.0186 175.6895 747 R 4.6799 8.7226 121.6797 54.2323 32.4484 175.0859 748 C 2.4500 8.5726 124.0150 57.8722 31.9003 171.4126 749 P 4.4355 0.0000 0.0000 61.7857 32.4384 174.3644 750 H 4.9457 7.8964 113.5607 52.8252 31.2094 171.7708 751 P 4.4059 0.0000 0.0000 63.0278 31.9421 175.7949 752 L 4.6002 8.5397 122.4173 54.1027 43.6104 176.2922 753 T 4.7353 8.3829 116.7168 61.4267 70.6773 174.2107 754 F 3.2223 9.0445 128.8176 58.5328 39.8507 174.3750 755 D 4.1837 7.1297 126.3996 52.9498 42.3582 175.5102 756 V 3.3408 8.2381 127.7952 65.9534 31.5141 176.4204 757 N 4.4466 8.1634 114.4413 53.5215 38.6589 174.8623 758 N 4.5186 7.9861 119.1889 52.3116 39.4967 174.9519 759 T 3.8554 8.4278 126.0278 66.8791 68.5933 175.7530 760 L 4.1137 7.9906 121.6776 58.5475 42.2674 178.5995 761 H 4.1694 8.3465 115.5295 58.9490 28.5482 177.3799 762 L 4.0386 7.8692 121.8999 58.2489 41.9646 178.3652 763 D 4.4880 8.8876 119.3461 57.7765 40.7934 178.5285 764 Y 4.0813 8.2620 119.6347 60.7218 38.9539 177.9969 765 V 3.6867 8.0483 118.7548 66.4210 31.5821 177.4320 766 M 4.0376 8.3467 118.3600 58.6899 31.8896 178.8489 767 A 3.8696 8.0803 119.9512 55.1508 18.6402 179.5321 768 A 4.0634 8.5101 119.5226 55.3562 18.5178 179.7372 769 A 4.1980 8.7491 119.6329 55.3732 18.5557 179.6514 770 N 4.3973 8.0757 114.7974 56.5835 38.5804 177.6792 771 L 3.6913 7.7002 120.3237 57.4945 40.9934 179.4037 772 F 4.0173 8.5173 120.8325 60.9980 39.1895 176.9440 773 A 3.9375 8.7049 120.7905 55.4150 18.2832 179.3414 774 Q 3.7943 8.0820 116.5110 59.7454 28.7659 179.5547 775 T 4.2941 7.5660 117.5383 65.1364 67.8777 174.9431 776 Y 4.4040 7.2212 115.9848 57.1973 38.5512 176.6309 777 G 3.2627 8.3412 108.0320 45.9253 0.0000 173.8134 778 L 4.5365 7.6904 118.7328 53.0564 43.2942 176.6502 779 T 4.1237 8.1789 117.9292 63.1590 69.7655 175.5285 780 G 3.4728 7.6913 114.5827 43.8740 0.0000 172.3537 781 S 4.2607 6.8678 113.5567 57.5605 65.0585 174.9037 782 Q 4.5369 8.4386 122.9111 55.7104 29.2681 176.3451 783 D 4.6144 8.2265 119.6561 53.4464 40.8247 176.7269 784 R 3.9999 8.5190 126.8520 59.0642 30.2786 178.5952 785 A 3.9957 8.1401 119.8833 55.0189 18.4119 179.3895 786 A 3.9800 8.2270 118.9715 55.4469 18.4737 180.0560 787 V 3.6082 7.9761 116.6076 66.0105 31.3385 178.0216 788 A 4.0215 8.0530 119.8864 55.1408 18.3829 179.2976 789 S 4.1884 8.1309 111.5331 61.6385 62.6208 176.3080 790 L 3.9959 8.3456 122.0819 57.8891 41.3050 179.5645 791 L 3.9650 8.3394 119.2683 57.8109 41.2908 179.2925 792 Q 4.1547 7.6663 117.3298 58.8000 28.7246 178.4753 793 S 4.5983 7.5986 112.6478 57.3349 63.4371 174.1475 794 V 3.8442 7.7230 123.5922 62.1466 31.8144 174.9748 795 Q 4.5537 8.5082 126.1359 54.0695 30.5816 174.9274 796 V 4.0318 7.9932 122.0931 60.2972 32.8207 173.7980 797 P 4.2970 0.0000 0.0000 62.4578 31.7389 176.2428 798 E 4.2283 8.5822 121.8791 56.5498 30.1115 176.0077 799 F 4.8912 8.3162 121.3802 56.9384 42.7015 174.3185 800 T 4.3037 6.4347 121.1649 61.0747 72.2502 172.2356 801 P 4.2672 0.0000 0.0000 62.8492 31.8314 176.3560 802 K 4.3013 8.4556 122.3162 55.1727 33.7217 177.1605 803 S 4.3013 8.3027 115.6234 61.5571 63.4615 176.9337 804 G 3.8090 7.6817 108.6877 45.1925 0.0000 174.1410 805 V 4.0975 7.3896 118.2345 60.7907 32.6770 174.9211 806 K 4.1320 8.5554 127.6346 55.9341 32.3409 176.7761 807 I 4.4933 8.0285 124.4948 59.3268 38.6579 174.9082 808 H 4.4764 8.7208 122.3808 55.8770 29.2120 175.9616 809 V 4.5263 8.5364 121.1039 62.8796 33.1624 175.6419 810 S 4.8396 7.7563 112.0426 56.2598 66.2286 174.4265 811 D 4.7324 8.4628 121.7397 54.4319 38.2007 177.1647 812 Q 4.4152 7.5166 117.0312 53.6236 30.3381 173.8586 813 E 4.5051 8.4463 121.8523 55.1101 33.0354 174.7029 814 L 4.3212 8.3656 123.0246 54.8054 39.0529 176.3315 *821 V 4.1014 8.7756 118.2116 63.4447 33.2395 174.3624 822 D 4.6802 8.1854 117.4483 56.5494 41.6073 176.8875 823 D 4.9233 7.9763 115.4163 53.8021 42.4774 177.3404 824 S 4.4226 7.8496 114.9285 60.1070 64.0148 176.1837 825 R 3.8573 7.8151 121.8259 58.9181 29.9664 178.1206 826 L 3.9375 7.8082 119.7444 58.2522 41.7511 178.6486 827 E 3.9979 7.8238 118.2430 59.3095 29.4815 178.9464 828 E 3.9899 8.4518 118.9637 59.5651 29.5106 179.4541 829 L 3.9753 7.6914 118.3476 57.9710 41.5338 179.6370 830 K 3.7512 7.7119 116.1237 59.1181 32.0475 178.1774 831 A 4.4892 7.5351 117.8383 52.9382 19.5193 178.9226 832 T 4.2937 7.4043 113.6394 64.9847 69.0769 174.8463 833 L 4.0096 7.9546 121.8980 53.5188 41.7639 175.7359 834 P 4.3485 0.0000 0.0000 62.7274 32.0689 176.0237 835 S 4.4550 8.5516 115.1370 57.2242 63.5128 173.0390 836 P 4.2315 0.0000 0.0000 66.1810 30.9250 178.2652 837 D 4.4988 7.9829 114.7215 56.1124 40.8728 177.3877 838 K 4.4021 8.5297 119.7925 56.0790 33.4263 176.6437 839 L 4.7680 7.7513 117.6984 52.3626 42.0844 173.4548 840 P 4.3415 0.0000 0.0000 64.3695 32.1297 176.6723 841 G 4.0988 8.6692 110.3989 46.1923 0.0000 172.4528 842 F 4.5965 7.6484 119.9414 56.5937 40.4549 174.7373 843 K 4.2994 7.0208 124.2968 56.1281 34.8933 174.4473 844 M 4.5249 8.2161 118.9708 53.7025 34.6366 175.8356 845 Y 4.4230 8.2339 119.3759 55.0394 38.8060 173.0531 846 P 4.3639 0.0000 0.0000 62.9745 32.4839 175.4100 847 I 4.5717 8.3603 123.9882 59.7010 39.0698 175.0668 848 D 4.7969 8.8343 127.5261 52.8828 41.7795 176.1877 849 F 3.9654 9.0255 126.7180 58.4014 39.4059 174.3737 850 E 4.2500 7.7794 126.7844 53.8436 30.6576 176.2980 851 K 3.4218 7.9103 123.4048 58.8226 33.1040 178.3699 852 D 4.3739 7.2199 119.0468 56.4799 41.2850 176.3598 853 D 4.4506 7.5928 119.0014 53.5889 39.3392 175.8882 854 D 4.4488 8.3799 125.4082 56.0929 41.0586 177.7917 855 S 4.1980 8.2214 112.8311 58.8831 63.4903 174.0917 856 N 4.3714 7.8185 119.5959 52.9813 39.5825 174.9382 857 F 5.2691 8.3661 116.0648 56.8652 40.1194 177.0099 858 H 4.6694 8.5911 116.9697 59.8974 28.4752 177.1398 859 M 4.4013 8.1312 119.3348 58.1852 31.6910 178.3370 860 D 4.5213 8.3001 118.9620 57.3857 40.9709 178.4958 861 F 4.3043 9.3706 121.6978 61.4483 39.4857 176.8831 862 I 4.0400 8.2967 119.5166 64.7842 36.9653 178.4587 863 V 3.6388 8.3184 118.7006 65.9707 31.3549 177.9885 864 A 4.0199 8.1550 120.1393 55.1782 18.4663 179.3382 865 A 4.4037 8.6406 121.6968 54.8315 18.3603 179.8510 866 S 4.1759 8.4545 111.6421 61.8923 62.6243 176.2648 867 N 4.4342 8.4627 119.1235 55.9341 37.9363 177.6179 868 L 3.7310 7.5195 120.1235 57.6174 42.0408 179.0068 869 R 3.9724 7.8353 118.1474 59.2253 29.9318 178.3537 870 A 4.0068 8.3414 121.1262 55.2040 18.1811 179.2695 871 E 4.1676 8.0126 116.5668 59.0110 29.8974 178.6320 872 N 4.2955 7.8515 116.5548 56.1236 38.3302 176.1592 873 Y 4.1049 7.8029 114.7640 57.4457 38.4612 175.3006 874 D 4.3893 7.9321 116.8776 55.7405 38.4789 173.7907 875 I 4.4989 7.8980 118.0374 59.1205 39.6146 176.7732 876 S 4.2049 8.5620 121.2032 57.9940 63.1779 172.7914 877 P 4.5373 0.0000 0.0000 62.3616 31.8523 175.4219 878 A 4.7095 8.5046 123.0935 49.7809 21.4338 176.9290 879 D 4.6513 8.4995 122.7265 52.5521 41.7791 177.2799 880 R 3.8714 8.5796 119.2433 60.2569 29.7524 177.9577 881 H 4.2655 8.1225 114.9169 59.0027 28.7481 177.8900 882 K 4.0670 8.5645 120.3187 59.3428 31.8228 179.6503 883 S 4.3693 8.7237 115.8709 61.6903 62.6351 176.8091 884 K 4.1143 8.0864 120.6554 59.2081 31.9421 178.5874 885 L 4.2027 7.8235 118.9910 57.5690 41.7601 178.7050 886 I 4.0757 8.6674 117.9989 62.0693 37.9963 176.1949 887 A 4.7082 8.0630 123.1360 52.1593 19.3687 178.8566 888 G 3.6966 8.2557 113.2969 48.6308 0.0000 175.2580 889 K 4.2195 7.4765 125.7512 54.6254 31.8205 181.8179 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 629 I 8.02 4.15 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.10 0.91 0.00 0.00 630 P 0.00 4.18 0.00 2.23 2.02 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 631 I 9.16 3.68 2.05 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 1.54 0.70 0.94 0.00 0.00 632 C 8.45 4.18 0.00 3.10 3.32 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 0.00 633 T 7.88 4.09 4.35 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 1.09 0.00 0.00 634 L 7.40 3.89 0.00 1.91 1.83 0.98 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 635 K 8.50 4.27 0.00 1.68 1.90 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.67 7.81 636 N 7.93 4.56 0.00 1.44 1.96 0.00 0.00 6.91 8.24 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 0.00 637 F 6.94 5.13 0.00 2.98 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 0.00 638 P 0.00 4.47 0.00 1.87 1.70 0.00 2.72 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.80 0.00 639 N 8.75 5.00 0.00 2.81 3.08 0.00 0.00 5.77 7.26 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 0.00 640 A 7.68 4.66 1.07 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 0.00 0.00 641 I 8.48 3.92 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 1.71 1.22 0.91 0.00 0.00 642 E 8.02 4.02 0.00 2.19 2.19 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 0.00 2.22 2.27 0.00 643 H 8.42 4.32 0.00 3.15 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 644 T 7.86 3.85 4.35 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 1.29 0.00 0.00 645 L 8.14 4.10 0.00 1.75 1.79 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 646 Q 8.14 3.99 0.00 2.49 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 647 W 8.54 4.18 0.00 3.52 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 0.00 648 A 8.63 4.11 1.60 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 0.00 0.00 649 R 8.27 3.70 0.00 1.79 2.05 0.00 2.21 0.00 0.00 2.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 650 D 8.12 4.30 0.00 2.85 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 0.00 651 E 8.24 3.64 0.00 1.50 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 652 F 8.51 3.81 0.00 3.45 3.14 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 0.00 653 E 8.31 4.18 0.00 2.26 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 2.39 2.49 0.00 654 G 8.08 3.57 0.00 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 0.00 663 V 7.70 3.60 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 0.94 0.00 0.00 0.95 0.00 0.00 664 N 8.30 4.39 0.00 2.79 2.72 0.00 0.00 6.99 8.14 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 0.00 665 Q 7.84 3.86 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 666 Y 7.28 3.70 0.00 2.17 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 0.00 667 L 7.42 4.15 0.00 1.82 1.66 1.18 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 668 T 7.76 4.23 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 1.18 0.00 0.00 669 D 7.61 4.90 0.00 2.80 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 0.00 670 S 8.22 4.62 0.00 3.85 3.86 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 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1.99 0.00 0.00 0.00 0.00 0.00 0.00 834 P 0.00 4.35 0.00 2.04 2.01 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 835 S 8.55 4.45 0.00 3.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 836 P 0.00 4.23 0.00 2.08 1.97 0.00 3.56 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 837 D 7.98 4.50 0.00 2.64 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 0.00 838 K 8.53 4.40 0.00 1.69 1.94 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 839 L 7.75 4.77 0.00 1.83 1.50 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 840 P 0.00 4.34 0.00 2.07 2.03 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 841 G 8.67 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 0.00 842 F 7.65 4.60 0.00 3.08 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 0.00 843 K 7.02 4.30 0.00 1.45 1.50 0.00 1.13 0.00 0.00 1.51 0.00 0.00 3.07 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 1.00 7.81 844 M 8.22 4.52 0.00 1.71 1.70 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.84 0.00 845 Y 8.23 4.42 0.00 2.98 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 0.00 846 P 0.00 4.36 0.00 1.93 1.99 0.00 3.54 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 847 I 8.36 4.57 1.97 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 1.14 0.00 0.00 848 D 8.83 4.80 0.00 2.74 2.69 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 0.00 0.00 0.00 849 F 9.03 3.97 0.00 2.66 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 0.00 850 E 7.78 4.25 0.00 1.68 1.59 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 2.18 2.17 0.00 851 K 7.91 3.42 0.00 1.84 1.94 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.41 7.81 852 D 7.22 4.37 0.00 2.49 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 0.00 853 D 7.59 4.45 0.00 2.54 2.49 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 0.00 0.00 0.00 0.00 854 D 8.38 4.45 0.00 2.66 2.69 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 0.00 0.00 0.00 855 S 8.22 4.20 0.00 3.82 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 0.00 856 N 7.82 4.37 0.00 2.62 2.88 0.00 0.00 6.77 7.02 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 0.00 857 F 8.37 5.27 0.00 3.13 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 0.00 858 H 8.59 4.67 0.00 3.06 3.04 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 859 M 8.13 4.40 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 860 D 8.30 4.52 0.00 3.15 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 0.00 861 F 9.37 4.30 0.00 3.44 3.69 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 0.00 0.00 0.00 862 I 8.30 4.04 2.24 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.15 1.06 0.00 0.00 863 V 8.32 3.64 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 1.14 0.00 0.00 1.03 0.00 0.00 864 A 8.15 4.02 1.56 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 0.00 0.00 865 A 8.64 4.40 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 0.00 866 S 8.45 4.18 0.00 4.04 4.27 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 0.00 0.00 0.00 0.00 867 N 8.46 4.43 0.00 2.85 2.85 0.00 0.00 7.13 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 0.00 868 L 7.52 3.73 0.00 0.94 0.21 0.48 0.84 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 R 7.84 3.97 0.00 1.42 1.89 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 870 A 8.34 4.01 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 0.00 871 E 8.01 4.17 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 872 N 7.85 4.30 0.00 3.00 2.30 0.00 0.00 6.82 6.78 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 0.00 873 Y 7.80 4.10 0.00 2.87 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 0.00 874 D 7.93 4.39 0.00 2.77 2.69 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 0.00 0.00 0.00 875 I 7.90 4.50 2.00 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 1.33 0.74 0.93 0.00 0.00 876 S 8.56 4.20 0.00 3.86 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 0.00 877 P 0.00 4.54 0.00 2.05 1.99 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 878 A 8.50 4.71 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 0.00 879 D 8.50 4.65 0.00 2.90 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 0.00 880 R 8.58 3.87 0.00 1.87 1.83 0.00 3.18 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 881 H 8.12 4.27 0.00 3.36 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 882 K 8.56 4.07 0.00 1.84 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.94 7.81 883 S 8.72 4.37 0.00 4.05 3.98 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 0.00 884 K 8.09 4.11 0.00 1.80 1.89 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.53 7.81 885 L 7.82 4.20 0.00 1.83 1.73 0.98 0.76 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 0.00 886 I 8.67 4.08 1.92 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 1.47 0.68 0.93 0.00 0.00 887 A 8.06 4.71 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 0.00 888 G 8.26 3.70 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 0.00 0.00 0.00 889 K 7.48 4.22 0.00 1.91 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.