NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 671 P 4.4549 0.0000 0.0000 62.0865 32.3491 176.2310 672 I 3.5128 7.9751 127.5768 64.5047 37.4971 176.3372 673 F 4.1166 9.0729 122.1877 61.5769 39.8411 176.6703 674 L 3.9374 8.0790 117.9001 57.6613 41.4397 179.0014 675 N 4.2930 8.2851 116.5312 56.3811 38.5474 177.5052 676 V 3.4839 7.7076 119.1808 66.0771 31.4522 177.7741 677 L 3.9398 7.3139 117.1617 58.1661 41.2107 179.2387 678 E 4.1729 8.1863 117.6129 59.0760 29.2296 179.1158 679 A 4.0799 7.8353 120.4897 54.6942 18.5959 178.8562 680 I 4.2145 7.6589 108.5173 60.2451 38.3911 175.7626 681 E 4.1241 7.4229 122.3046 55.4966 29.8996 174.7341 682 P 4.4354 0.0000 0.0000 62.8558 32.2096 177.1994 683 G 3.9807 8.2056 109.8819 44.6390 0.0000 173.3391 684 V 3.7277 8.2188 119.0669 62.8328 32.1193 176.4266 685 V 4.3687 8.1332 124.9838 61.2571 33.9761 174.4969 686 C 4.7359 8.5833 123.9957 58.3931 29.9237 173.4552 687 A 4.1927 9.3855 125.3380 52.5024 19.0070 179.1424 688 G 3.9181 8.9233 103.3168 45.6563 0.0000 173.3105 689 H 4.1143 7.9966 118.5677 56.0548 30.5341 174.9144 690 D 4.5314 7.9839 125.2747 53.2097 39.8436 175.8873 691 N 4.6115 8.5134 120.8026 53.7906 38.4192 175.8051 692 N 4.7542 8.7088 116.1243 53.4289 39.7826 175.4242 693 Q 4.3594 7.6434 117.3232 54.0716 29.7968 174.1208 694 P 4.4140 0.0000 0.0000 62.6230 31.9979 176.3286 695 D 4.6144 8.5927 121.9422 54.4920 41.6253 176.5561 696 S 4.7574 8.2340 116.7833 55.5844 67.4832 174.7481 697 F 4.2852 8.9483 124.4850 61.7387 39.1143 177.1831 698 A 3.7775 8.1925 119.3514 55.1984 18.2535 179.3556 699 A 3.9103 7.9612 119.1124 55.1248 18.3990 179.9077 700 L 3.9043 8.0240 117.5575 58.0792 41.7760 179.8571 701 L 3.8257 7.7525 118.8494 57.5985 41.4879 179.5226 702 S 3.9705 8.1491 113.4322 61.2624 62.2634 176.4235 703 S 4.1379 8.1667 118.0823 61.2699 62.5452 176.5369 704 L 3.7098 7.9454 121.8966 57.8121 41.3504 179.2686 705 N 4.2311 7.9394 116.3274 56.1813 38.4053 177.1179 706 E 3.9131 8.0340 120.5990 59.1628 29.7664 178.5534 707 L 4.0713 8.0928 120.5955 58.0731 42.1195 179.0950 708 G 3.8315 8.4715 106.1302 47.9129 0.0000 175.2358 709 E 4.0372 8.4279 121.7911 59.0985 29.5389 179.1533 710 R 3.9971 8.1650 118.1081 59.4030 30.0996 179.1014 711 Q 4.0989 8.7335 118.3281 58.8197 28.7240 178.3750 712 L 4.0119 8.2785 121.4507 58.2473 41.8940 179.1871 713 V 3.5745 7.6092 118.0046 66.5274 31.4186 177.8147 714 H 4.2420 8.0492 115.9845 58.7273 28.5302 177.9748 715 V 3.7692 8.6872 120.6491 65.8915 31.2751 178.2995 716 V 3.5579 8.0168 118.0019 66.0887 31.2212 178.2552 717 K 3.9588 7.6341 116.8937 58.9512 32.1773 178.9799 718 W 4.2339 8.5125 128.5749 60.4207 30.7346 177.7312 719 A 2.7353 8.4331 120.9667 54.8538 17.5489 179.7782 720 K 3.8707 7.7200 114.8045 58.4005 32.1390 178.3059 721 A 4.4022 7.0651 119.0015 50.9778 19.9211 177.2181 722 L 3.9683 6.8603 118.8874 53.3601 42.3596 175.0161 723 P 4.4925 0.0000 0.0000 64.3848 31.6777 177.1809 724 G 4.0094 9.0849 110.8505 45.3939 0.0000 174.7758 725 F 4.1293 8.3721 122.5518 61.4383 39.4086 176.7707 726 R 4.1607 7.9501 116.1307 57.3368 29.9650 177.0954 727 N 4.2413 7.9610 116.3403 55.4187 38.8166 175.9250 728 L 4.2959 7.3128 117.8170 54.0683 42.5595 176.9277 729 H 4.1743 8.9103 121.1416 56.4073 31.7731 176.4448 730 V 3.6251 8.3029 126.9151 65.5449 30.9234 178.4404 731 D 4.4472 8.3746 118.7567 57.1385 40.6710 178.3143 732 D 4.3910 8.0994 119.0186 57.1826 40.7290 178.4175 733 Q 3.8965 8.1124 118.7193 59.4631 28.7766 178.9613 734 M 4.0918 7.7595 117.7865 58.1927 32.1954 178.0856 735 A 3.5087 7.8754 121.1085 55.2252 18.5948 180.1249 736 V 3.7429 8.0199 110.9590 64.4472 31.6923 179.0283 737 I 3.7875 7.6629 119.8176 64.5611 36.7666 178.4913 738 Q 4.0150 8.1269 118.0277 59.2169 28.5614 178.1801 739 Y 4.6329 7.7230 116.9556 60.6968 38.2305 177.5322 740 S 4.6373 8.3295 114.3107 58.4442 63.3462 175.7332 741 W 4.5322 8.2280 132.3737 60.9809 30.3719 177.2364 742 M 3.5501 8.3086 117.2264 58.5405 31.6377 178.1369 743 G 3.6583 8.0633 105.2194 47.9110 0.0000 175.3542 744 L 4.0356 8.3823 121.8629 57.7438 41.5274 179.6360 745 M 4.0413 8.1633 118.7221 58.2764 31.8095 178.9760 746 V 3.5699 7.8588 118.3954 65.8985 31.7250 177.8156 747 F 4.3332 8.6652 120.4977 61.5067 39.2239 177.0170 748 A 4.3078 8.3028 120.4800 55.3581 18.1444 179.2958 749 M 4.0539 8.4884 117.1980 58.6680 32.2738 178.7137 750 G 3.6704 8.5122 106.4116 47.3939 0.0000 175.5824 751 W 3.1845 7.8006 130.6158 60.0254 30.4918 178.2847 752 R 3.4576 8.0331 118.3376 59.2949 29.3660 179.2783 753 S 3.9244 8.0027 114.9032 61.2302 62.6144 176.4536 754 F 4.0828 7.8046 123.5683 61.5579 38.9484 177.4099 755 T 2.8700 6.8427 108.2295 64.0774 68.4535 175.6827 756 N 4.2506 7.4125 118.2321 54.4997 39.0257 176.5732 757 V 4.2658 6.7018 111.6046 60.6323 33.1681 174.8771 758 N 4.0190 8.3271 115.5670 54.8023 37.6582 174.7861 759 S 3.8289 8.1763 108.8151 58.9334 61.2923 173.0752 760 R 4.0535 7.9962 121.3993 58.6900 29.9444 176.1986 761 M 4.7817 7.4835 114.7680 53.5216 36.3419 174.1472 762 L 4.1739 8.2592 119.9930 53.7165 42.4632 176.6247 763 Y 4.1370 8.4287 129.2642 55.9837 37.2317 175.7364 764 F 4.2003 7.7852 121.7408 59.9482 39.8426 175.4568 765 A 4.5256 7.5795 120.3980 50.2367 22.2170 175.1131 766 P 3.8170 0.0000 0.0000 64.2886 31.4014 177.4919 767 D 4.8549 7.7972 114.7650 52.7439 39.8430 176.9784 768 L 4.6577 7.8414 123.2677 54.2218 43.3628 172.4518 769 V 4.7154 7.8984 120.7119 60.6666 33.7785 174.4359 770 F 4.8127 9.4578 128.2429 56.6785 40.2987 175.6590 771 N 5.0830 8.5645 122.3378 51.6044 39.7831 175.7991 772 E 4.0910 8.8941 117.1962 59.6377 29.3230 178.9529 773 Y 4.1357 8.1003 119.2672 60.8922 39.0229 178.1262 774 R 3.6165 8.6756 119.3491 59.1475 29.7313 178.8902 775 M 4.2648 7.9383 117.8770 58.7610 32.2653 178.0528 776 H 4.4497 8.4533 118.1860 59.3645 29.9397 177.5259 777 K 4.0363 8.0346 119.1788 58.6965 31.8896 178.8964 778 S 4.4420 8.0803 113.3217 58.7277 63.2398 174.5353 779 R 4.0722 7.8738 120.2659 57.9381 27.9110 176.2546 780 M 4.5560 7.8947 114.6419 55.1338 32.9533 177.3378 781 Y 4.0692 8.4693 121.4358 61.2949 38.5699 178.3216 782 S 4.2796 8.3154 114.2595 61.7228 63.0687 176.2882 783 Q 3.9768 7.9663 121.0948 58.8879 28.4794 178.1955 784 C 4.1085 8.2805 118.0607 62.4630 27.9908 176.1727 785 V 3.4586 7.7229 119.9977 66.2219 31.2308 178.3597 786 R 3.9272 7.7398 117.4599 59.5384 29.8650 179.0666 787 M 4.0643 8.0420 118.5757 58.2692 31.9494 178.7951 788 R 3.7916 8.3203 119.4106 59.4057 30.3338 177.9526 789 H 4.2202 8.3795 119.7176 58.5287 29.6309 176.8037 790 L 3.7957 7.5077 120.4881 58.2663 42.2101 178.4307 791 S 4.3558 7.9317 112.8637 61.7648 62.3185 176.2903 792 Q 3.4230 7.7092 120.3632 58.5367 28.0773 178.5925 793 E 4.1199 7.3909 119.2378 59.0654 29.3395 179.2131 794 F 4.1454 7.4193 117.7725 60.0616 38.7515 177.9688 795 G 3.2188 6.9369 104.8308 47.4438 0.0000 175.7592 796 W 4.5143 7.7364 120.8016 59.2330 29.1356 177.2755 797 L 4.3280 8.1981 115.4888 54.2825 41.9060 176.2194 798 Q 3.5347 7.7969 117.1271 56.9148 26.5124 174.5372 799 I 4.1946 7.9869 118.1959 61.5515 38.2880 177.7239 800 T 4.5435 9.2341 116.5127 60.6911 71.2247 174.2302 801 P 4.0433 0.0000 0.0000 65.9127 31.3832 179.0857 802 Q 4.0835 8.0894 116.5411 58.8734 28.6880 178.2139 803 E 4.0806 8.4980 119.8560 59.1343 29.3704 179.1479 804 F 4.1069 8.2190 120.8780 61.1845 39.3109 177.0678 805 L 3.5490 7.7379 118.5061 57.9177 41.4939 179.2195 806 C 4.3585 8.2028 118.4292 62.7745 31.5521 175.4289 807 M 4.0563 8.4301 120.7403 58.2948 31.3375 178.6845 808 K 3.6408 7.9676 118.6795 59.2430 32.4828 178.3049 809 A 4.3874 8.1179 121.1438 55.3133 18.2816 179.3798 810 L 4.1047 8.0858 118.7030 58.2229 41.9361 178.7941 811 L 3.8309 7.7968 119.5925 58.0722 41.9362 178.4536 812 L 4.0228 7.4380 119.6643 56.9932 42.2079 177.1461 813 F 5.2199 7.7353 117.4640 58.1519 39.4654 176.1128 814 S 4.8916 8.0708 112.8163 57.8350 65.2537 173.9884 815 I 4.8897 7.8168 120.2126 60.1149 40.4555 173.6392 816 I 4.7121 8.4651 122.1189 58.2104 41.7050 173.0150 817 P 4.5712 0.0000 0.0000 62.2224 31.7844 178.3031 818 V 3.5124 8.5290 122.8587 64.5207 31.3085 176.6468 819 D 4.5518 8.0305 117.8602 52.6685 39.3896 177.1093 820 G 3.8787 7.9644 105.6684 45.8648 0.0000 173.3935 821 L 4.4020 8.4160 122.2919 53.4192 43.1740 178.2338 822 K 4.0302 8.8992 120.8267 57.3737 31.7737 175.1450 823 N 4.8029 8.8032 119.3685 50.1957 39.1517 173.9869 824 Q 4.0306 8.2830 124.2222 58.6097 29.4012 177.4014 825 K 3.8978 7.9022 119.0161 59.5926 32.0711 179.1029 826 F 4.5873 7.8844 117.5111 60.4127 38.7900 177.3985 827 F 3.9807 8.0005 119.6793 61.4556 39.2433 176.9445 828 D 4.4207 8.6253 118.8789 57.3772 40.6019 178.5079 829 E 3.8906 8.2227 119.8708 59.1177 29.6877 178.6421 830 L 3.8155 7.7801 120.4721 57.9441 42.0919 178.9551 831 R 3.5981 7.6491 118.8948 59.4118 30.0081 178.0090 832 M 4.0330 8.0730 118.1056 58.9281 32.2007 177.9990 833 N 4.2304 8.1458 116.4692 56.4944 38.6567 177.0767 834 Y 3.7568 8.1576 118.0866 60.6183 37.9152 178.4551 835 I 3.9224 8.0160 121.1662 64.2978 37.2024 178.1938 836 K 3.8664 8.1355 120.4878 59.6202 31.9670 178.6573 837 E 3.6824 8.0724 118.8284 59.0346 29.0795 179.0203 838 L 4.0585 7.9493 120.4986 58.2595 42.1721 178.5860 839 D 4.3555 8.2358 118.0284 57.1320 41.1255 178.1258 840 R 3.8579 8.1564 119.7763 59.4852 29.9559 178.6513 841 I 4.0794 7.6535 111.0306 63.7516 38.0520 177.9820 842 I 3.8850 7.5942 121.9116 64.0799 36.5714 177.6989 843 A 3.9923 8.1868 121.3588 55.2686 18.7370 178.4298 844 C 4.1054 8.1924 118.4284 59.5980 28.6053 175.3010 845 K 4.9177 8.4926 128.6759 54.8939 35.5776 176.7756 846 R 4.8996 6.9831 115.8965 56.0226 32.4473 175.3310 *850 T 4.3695 8.3361 113.0077 64.5952 70.8224 176.1618 851 S 4.1631 8.0332 114.8819 61.3878 62.6618 175.6781 852 C 4.1717 8.0345 118.8806 62.9248 27.9114 176.1565 853 S 4.2543 8.1855 118.5322 62.5333 62.6246 177.5361 854 R 4.0819 8.0856 123.1328 61.2378 29.0184 180.9287 855 R 4.3121 8.2451 118.3401 59.7123 30.1914 178.3543 856 F 4.1402 8.7784 120.9718 61.3830 39.3513 176.3150 857 Y 4.0151 8.3505 119.1463 60.8402 38.6255 178.1746 858 Q 3.9140 8.2249 118.8211 59.0402 28.7763 178.9742 859 L 3.9812 7.9566 120.2104 57.8561 41.5868 179.6640 860 T 3.3220 7.3576 109.7715 64.4176 68.5041 176.8126 861 K 3.7808 7.6231 121.3477 58.9496 31.7677 179.0793 862 L 3.9150 7.5456 119.5809 58.0117 42.3233 178.6075 863 L 4.0438 8.1545 119.2939 58.0253 41.6342 179.0997 864 D 4.5708 8.4042 119.0869 57.6213 39.6545 179.1255 865 S 4.3139 8.2147 114.1090 60.9921 62.7255 176.6548 866 V 3.8763 7.8005 122.5642 65.8047 31.1188 177.8279 867 Q 3.9952 8.2159 118.0478 58.6556 28.5873 177.1658 868 P 4.3463 0.0000 0.0000 65.3761 31.4960 178.8643 869 I 3.6770 7.3489 115.8583 64.4080 37.0878 178.2214 870 A 3.9234 8.3430 122.0087 55.1442 18.1436 179.6081 871 R 3.9497 8.3712 117.4671 59.7375 30.1620 178.6159 872 E 4.0858 8.2691 118.3764 59.4762 29.3708 179.4138 873 L 4.1030 7.9552 118.8203 57.9336 41.6409 179.1266 874 H 4.3861 8.6929 116.7285 59.0586 28.6111 177.8602 875 Q 4.1266 8.3249 119.8051 58.9778 28.5999 178.6287 876 F 4.1354 8.5657 121.7386 61.6856 39.4106 177.1355 877 T 4.2278 8.7714 113.2359 64.8373 67.1382 176.1970 878 F 4.1389 8.6053 122.8628 61.5402 39.6256 176.7697 879 D 4.2024 8.6574 118.9277 57.3512 40.5589 178.7699 880 L 3.9186 7.8537 120.7971 57.7250 41.8474 178.7305 881 L 2.8193 7.6739 119.7816 57.8640 42.0238 178.6151 882 I 3.6336 6.9308 118.5218 63.6023 37.3287 177.5955 883 K 4.3103 7.5783 116.8597 56.7429 32.7852 178.1266 884 S 4.2527 7.8242 117.6937 62.3067 62.3527 176.1713 885 H 4.3425 8.3195 117.3187 57.6142 28.3457 176.0854 886 M 4.6434 7.6889 116.9894 54.9171 31.8904 176.5031 887 V 4.3115 7.2952 112.8916 60.9379 32.2133 176.3826 888 S 4.2272 8.1764 112.7795 59.2947 60.3417 171.7495 889 V 3.8978 7.2153 120.1122 61.9008 31.9250 175.0567 890 D 4.7393 8.4220 126.6878 53.2870 42.1206 175.2769 891 F 4.6934 8.5992 123.9056 54.8369 41.4222 173.4843 892 P 4.4399 0.0000 0.0000 62.7949 32.2059 177.7553 893 E 3.9884 9.0812 117.8842 59.6690 29.7094 180.3070 894 M 4.1892 7.6472 116.6693 58.1255 32.2942 178.0800 895 M 4.6179 7.9482 110.9115 54.2703 35.6980 176.6750 896 A 4.1665 8.1064 122.0543 54.7667 18.8427 178.8693 897 E 3.8415 8.0753 117.4450 59.6308 29.7375 179.0882 898 I 3.7363 7.2555 119.2481 64.6259 36.9569 178.6378 899 I 3.9710 8.3256 120.1433 63.7167 37.0194 177.7723 900 S 4.6641 8.1114 113.3919 58.9930 63.5686 175.4411 901 V 4.1762 7.7650 120.3191 64.6238 32.9569 176.8948 902 Q 4.4366 7.8696 116.6086 58.3535 29.2412 178.0571 903 V 3.6238 8.1123 119.4318 65.7260 31.4648 176.3583 904 P 4.0064 0.0000 0.0000 65.2013 31.1485 178.6351 905 K 3.8943 7.8593 117.2184 59.3423 31.8908 179.4591 906 I 4.0194 7.2816 120.8353 63.8951 37.0563 178.3774 907 L 4.0355 7.7838 118.3914 56.9076 41.3933 178.6278 908 S 4.5483 7.9497 112.6045 57.7567 63.3717 175.0774 909 G 3.9122 7.8866 110.1255 45.9157 0.0000 175.0951 910 K 4.0570 8.0273 120.3929 57.9908 32.4899 176.8750 911 V 4.6424 7.4235 118.4238 60.7910 34.5098 174.6227 912 K 4.8792 8.9397 126.4581 53.6879 36.5098 174.1743 913 P 4.6439 0.0000 0.0000 62.9320 32.4839 175.6464 914 I 4.2188 8.1564 122.9863 60.2870 37.8395 175.0778 915 Y 4.7678 8.3730 124.8850 56.4794 39.8574 176.2239 916 F 4.0988 9.8264 122.9877 60.3665 39.2861 175.9075 917 H 5.0064 8.4313 115.3327 53.7429 31.0645 174.0687 918 T 4.1939 8.2534 111.4046 60.9319 69.5237 174.8986 919 Q 3.8670 8.5203 123.8133 56.1366 28.5903 176.1986 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 671 P 0.00 4.45 0.00 2.29 2.33 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 672 I 7.98 3.51 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 1.55 0.53 0.94 0.00 0.00 673 F 9.07 4.12 0.00 3.05 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 0.00 674 L 8.08 3.94 0.00 1.78 1.74 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 675 N 8.29 4.29 0.00 2.95 2.88 0.00 0.00 6.62 7.29 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 0.00 676 V 7.71 3.48 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 0.96 0.00 0.00 0.94 0.00 0.00 677 L 7.31 3.94 0.00 1.66 1.70 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 678 E 8.19 4.17 0.00 2.07 2.02 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 2.35 2.46 0.00 679 A 7.84 4.08 1.41 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 0.00 0.00 680 I 7.66 4.21 1.94 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.93 0.92 0.00 0.00 681 E 7.42 4.12 0.00 2.24 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 0.00 2.40 2.37 0.00 682 P 0.00 4.44 0.00 2.04 2.04 0.00 3.59 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 1.88 2.19 0.00 683 G 8.21 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 0.00 0.00 0.00 684 V 8.22 3.73 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 0.83 0.00 0.00 0.96 0.00 0.00 685 V 8.13 4.37 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 0.91 0.00 0.00 0.75 0.00 0.00 686 C 8.58 4.74 0.00 3.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 687 A 9.39 4.19 1.24 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 0.00 0.00 688 G 8.92 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 0.00 689 H 8.00 4.11 0.00 3.07 3.43 0.00 5.92 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 690 D 7.98 4.53 0.00 2.67 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 691 N 8.51 4.61 0.00 2.76 2.85 0.00 0.00 7.08 8.00 0.00 0.00 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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0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.06 1.16 0.00 0.00 800 T 9.23 4.54 4.36 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 1.38 0.00 0.00 801 P 0.00 4.04 0.00 2.30 2.37 0.00 3.74 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.60 0.00 802 Q 8.09 4.08 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 803 E 8.50 4.08 0.00 2.27 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 0.00 2.42 2.40 0.00 804 F 8.22 4.11 0.00 1.83 2.24 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 0.00 805 L 7.74 3.55 0.00 1.86 1.67 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 806 C 8.20 4.36 0.00 3.28 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 807 M 8.43 4.06 0.00 1.99 2.48 0.00 0.00 0.00 0.00 0.00 2.53 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860 T 7.36 3.32 3.28 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 -0.94 0.00 0.00 861 K 7.62 3.78 0.00 1.71 1.71 0.00 1.44 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.51 0.92 7.81 862 L 7.55 3.92 0.00 1.58 1.85 0.75 0.74 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 0.00 863 L 8.15 4.04 0.00 1.86 1.75 0.91 0.69 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 0.00 864 D 8.40 4.57 0.00 2.98 3.01 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 0.00 0.00 0.00 865 S 8.21 4.31 0.00 4.11 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 0.00 866 V 7.80 3.88 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 1.14 0.00 0.00 1.13 0.00 0.00 867 Q 8.22 4.00 0.00 2.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.25 1.99 0.00 868 P 0.00 4.35 0.00 2.21 2.15 0.00 3.84 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 869 I 7.35 3.68 2.07 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 1.25 0.91 0.00 0.00 870 A 8.34 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 871 R 8.37 3.95 0.00 1.94 2.13 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 872 E 8.27 4.09 0.00 2.27 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 2.39 2.59 0.00 873 L 7.96 4.10 0.00 1.79 1.66 0.85 0.83 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 0.00 874 H 8.69 4.39 0.00 3.40 3.37 0.00 5.64 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 0.00 875 Q 8.32 4.13 0.00 2.41 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 876 F 8.57 4.14 0.00 3.26 3.23 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 0.00 877 T 8.77 4.23 4.48 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 1.56 0.00 0.00 878 F 8.61 4.14 0.00 3.30 3.34 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 0.00 879 D 8.66 4.20 0.00 2.60 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 0.00 880 L 7.85 3.92 0.00 1.63 1.97 1.00 0.50 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 0.00 881 L 7.67 2.82 0.00 0.85 1.37 0.09 1.17 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 0.00 882 I 6.93 3.63 1.68 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.10 0.77 0.00 0.00 883 K 7.58 4.31 0.00 1.91 1.95 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.41 7.81 884 S 7.82 4.25 0.00 4.54 4.47 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 0.00 885 H 8.32 4.34 0.00 3.33 3.47 0.00 5.48 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 886 M 7.69 4.64 0.00 2.03 2.13 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 2.40 2.39 0.00 887 V 7.30 4.31 2.47 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 0.87 0.00 0.00 1.10 0.00 0.00 888 S 8.18 4.23 0.00 4.07 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 0.00 889 V 7.22 3.90 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 0.49 0.00 0.00 0.71 0.00 0.00 890 D 8.42 4.74 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 891 F 8.60 4.69 0.00 2.95 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 0.00 892 P 0.00 4.44 0.00 2.39 1.99 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 893 E 9.08 3.99 0.00 1.88 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 2.33 1.95 0.00 894 M 7.65 4.19 0.00 1.93 2.54 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.45 0.00 895 M 7.95 4.62 0.00 2.15 2.47 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.76 0.00 896 A 8.11 4.17 1.37 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 0.00 0.00 0.00 897 E 8.08 3.84 0.00 2.07 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 2.28 2.38 0.00 898 I 7.26 3.74 1.78 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 1.40 0.44 1.04 0.00 0.00 899 I 8.33 3.97 2.09 0.00 0.00 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 1.96 0.89 1.07 0.00 0.00 900 S 8.11 4.66 0.00 4.07 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 0.00 901 V 7.76 4.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.03 0.00 0.00 902 Q 7.87 4.44 0.00 2.35 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 903 V 8.11 3.62 2.46 0.00 0.00 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 1.19 0.00 0.00 904 P 0.00 4.01 0.00 2.18 1.97 0.00 3.78 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 905 K 7.86 3.89 0.00 2.00 1.76 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.70 7.81 906 I 7.28 4.02 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.80 0.86 0.00 0.00 907 L 7.78 4.04 0.00 1.35 1.55 0.62 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 908 S 7.95 4.55 0.00 3.95 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 0.00 909 G 7.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 910 K 8.03 4.06 0.00 1.93 1.80 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.32 7.81 911 V 7.42 4.64 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.45 0.00 0.00 912 K 8.94 4.88 0.00 1.61 1.60 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.29 7.81 913 P 0.00 4.64 0.00 1.33 2.00 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 914 I 8.16 4.22 1.78 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 1.20 0.57 0.77 0.00 0.00 915 Y 8.37 4.77 0.00 2.98 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 0.00 916 F 9.83 4.10 0.00 3.29 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 917 H 8.43 5.01 0.00 3.26 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 918 T 8.25 4.19 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 1.23 0.00 0.00 919 Q 8.52 3.87 0.00 1.69 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.28 0.00 * Residues marked with a * may have inaccurate shift predictions.