NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 696 G 3.9017 8.3549 109.7374 45.2226 0.0000 173.1522 697 E 4.0797 8.5153 121.1067 54.1836 30.2476 175.2693 698 A 4.1515 8.3526 127.4574 51.1436 20.0808 174.8943 699 P 4.2068 0.0000 0.0000 62.8551 31.7929 175.9612 700 N 4.5717 8.6407 120.7660 53.0550 38.1029 173.7890 701 Q 4.4890 8.3607 123.7178 55.2977 29.2386 176.0795 702 A 3.9997 7.8344 120.5969 52.6271 18.7636 177.8460 703 L 4.2801 8.2476 121.0861 53.6491 42.7468 176.1670 704 L 4.3992 8.3243 125.3757 53.2888 42.9398 175.2160 705 R 4.3803 8.3715 127.4068 55.6033 31.4421 174.7728 706 I 4.7074 8.3931 127.4578 60.2245 38.4934 174.9820 707 L 4.9522 9.0967 128.0108 52.5012 44.1005 176.8356 708 K 4.1107 9.1811 123.4349 56.1652 32.5704 177.7415 709 E 3.1485 8.9975 124.7518 59.2407 29.5384 178.9467 710 T 3.9498 7.5578 107.2969 63.9255 69.3737 175.2308 711 E 4.2959 8.2631 121.3368 57.5756 29.7446 176.0348 712 F 6.0485 7.4280 112.9915 54.7598 41.3359 173.9399 713 K 4.5287 8.7812 122.0771 55.0382 34.3003 176.3080 714 K 4.5548 8.6936 124.3223 57.3471 32.3799 176.2850 715 I 4.6947 7.9575 117.8097 62.0192 43.7269 175.3583 716 K 4.3572 7.8935 119.9006 55.7160 35.1999 173.8564 717 V 4.1458 8.6463 125.5405 62.3455 32.0782 175.3232 718 L 4.5440 8.5244 126.3619 55.7545 44.2779 177.3630 719 G 4.0323 7.3172 101.7428 44.5108 0.0000 172.5782 720 S 4.7275 8.8763 119.0476 57.2691 64.4679 179.5653 721 G 3.3086 10.3681 105.7777 46.2625 0.0000 175.9891 722 A 3.0314 8.0905 117.3102 51.5032 20.7352 178.7426 723 F 4.5416 9.5953 119.9317 57.9454 42.2754 173.5634 724 G 4.2294 7.7554 107.5599 44.5494 0.0000 170.4986 725 T 4.6211 7.9616 114.8420 61.7484 72.2400 173.2842 726 V 4.4120 8.2983 126.7461 61.4029 33.7435 174.0647 727 Y 5.1419 8.6949 125.3424 56.0459 40.8872 175.0902 728 K 4.6315 8.7330 123.8556 56.8341 34.0108 176.0806 729 G 4.5476 8.7365 111.9861 45.8979 0.0000 171.3270 730 L 5.4275 8.7417 119.0277 52.5508 45.2355 175.8506 731 W 5.3421 9.4014 134.0304 55.9319 32.7445 174.5438 732 I 4.5461 8.7976 129.1338 57.9863 37.5239 174.2630 733 P 4.1609 0.0000 0.0000 62.5332 33.4269 178.9790 734 E 2.9738 7.7378 114.3170 55.5567 31.7066 179.3291 735 G 4.0484 9.0966 109.0198 43.6503 0.0000 172.1032 736 E 4.4683 7.9120 122.5611 54.5278 33.2319 175.5975 737 K 3.8085 8.1700 117.5620 57.4823 29.9040 175.2756 738 V 4.7431 7.2812 108.1741 59.2925 36.7035 175.1519 739 K 4.8186 8.6467 121.7305 54.6905 35.7898 175.1743 740 I 5.0768 8.5117 125.9587 57.8284 39.7801 173.4718 741 P 4.8955 0.0000 0.0000 62.9634 32.4149 175.9167 742 V 4.9005 8.8953 116.0811 59.8251 36.7104 173.8641 743 A 5.1224 8.8125 124.9660 50.6505 21.5610 176.3150 744 I 4.6440 8.5513 121.4782 59.6847 40.6535 174.7775 745 K 4.8484 9.5646 131.9217 54.8404 32.0598 172.8479 746 E 4.5743 8.7176 123.5463 54.4187 30.2524 175.1647 747 L 4.5075 8.8274 129.4618 54.7872 43.3662 176.2785 748 R 3.6180 7.6548 115.1838 55.3982 29.5552 175.7232 749 E 3.9224 9.1186 123.2453 59.5165 29.6569 177.3877 750 A 3.7933 7.6035 118.2177 53.1561 19.1602 178.5049 751 T 4.4300 8.1532 122.2669 62.2704 67.8961 175.7830 752 S 4.2564 7.6787 117.0450 57.6216 63.3591 174.0537 753 P 4.1739 0.0000 0.0000 65.1724 29.3850 178.1659 754 K 3.8958 8.1705 118.0252 59.4116 32.2725 177.8636 755 A 4.1463 8.3718 119.3346 53.0221 18.9768 178.9528 756 N 4.3240 8.0610 115.4509 56.1312 38.8010 177.0992 757 K 3.9990 7.8735 120.0406 58.9590 31.6320 178.1482 758 E 4.2787 7.5160 117.6887 58.3045 29.9375 178.1227 759 I 3.8775 7.6578 118.1469 63.5564 38.0236 177.8550 760 L 4.1152 7.7925 120.0957 57.5570 41.4473 178.8685 761 D 4.4504 7.7890 117.6102 57.3512 40.6390 178.6609 762 E 4.0183 7.9821 117.8837 59.3077 29.4749 179.2275 763 A 3.9389 7.9707 120.6640 55.2733 18.2539 178.6180 764 Y 3.9062 8.2944 117.0233 61.1396 39.0588 178.5646 765 V 3.6725 8.1142 118.7064 66.3679 31.3625 177.9882 766 M 3.7381 8.6292 118.7925 58.0777 31.5336 178.5945 767 A 3.9580 8.3727 120.3546 54.4169 18.5349 178.7601 768 S 4.3821 7.3157 111.5021 57.6606 63.5381 174.2795 769 V 4.5512 6.6513 114.8057 59.7460 34.0968 175.7297 770 D 4.3295 8.9922 123.4868 53.6724 42.3605 173.6976 771 N 4.5037 7.8425 122.8549 51.2453 41.6998 173.6430 772 P 4.2836 0.0000 0.0000 65.1453 31.7047 176.7815 773 H 5.1322 8.7416 115.4495 55.1558 29.2047 173.2370 774 V 4.9487 7.4301 118.2185 60.9304 34.2951 175.1757 775 C 4.3112 9.1693 125.3065 60.1661 29.0926 173.0791 776 R 4.3789 8.4900 123.0141 54.9050 31.3697 174.4724 777 L 4.5534 8.3903 129.0214 54.4489 42.4216 176.0584 778 L 4.1957 9.2038 126.9973 54.9034 42.9740 177.0422 779 G 3.9406 6.5978 103.6005 46.2189 0.0000 171.0392 780 I 5.0961 7.9288 112.9299 59.0452 41.1828 174.1303 781 C 5.1680 8.9281 123.6825 57.6519 33.9561 173.7181 782 L 4.3940 8.4116 128.4602 54.0347 38.8966 176.2262 783 T 4.1500 8.0079 112.0413 63.5381 70.0138 175.7653 784 S 4.6662 7.1846 121.8078 58.1326 68.6729 176.9579 785 T 4.6003 7.1552 113.4183 59.7301 70.1041 172.3249 786 V 4.1079 8.3617 127.9029 62.8380 32.3570 175.0242 787 Q 4.5780 9.2749 128.3268 54.9515 30.3690 174.4960 788 L 4.5532 8.5235 127.0116 53.9159 43.9305 175.1327 789 I 4.7363 8.3471 128.1801 59.9461 39.0232 174.9145 790 T 4.9315 8.6553 117.5484 58.9749 72.4467 173.2536 791 Q 4.2225 8.4947 123.8676 56.0339 29.4831 175.8381 792 L 3.9462 8.2622 129.1859 55.9091 42.8442 176.9023 793 M 4.5696 8.5694 126.2522 52.6896 31.8780 174.3878 794 P 4.1212 0.0000 0.0000 65.1793 31.7906 177.7566 795 F 4.3558 7.9835 114.6949 57.4007 39.5324 177.1379 796 G 3.8190 8.3128 110.6281 45.1519 0.0000 172.4725 797 C 4.6491 8.2964 117.8805 58.9201 33.5910 175.1763 798 L 3.7946 8.7210 128.5522 57.9070 41.6164 179.3465 799 L 3.9888 7.7164 120.3095 58.4145 42.1215 178.8370 800 D 4.4437 8.0888 118.2438 57.2669 40.8896 178.0408 801 Y 4.0704 7.9784 120.3794 60.6453 38.7757 178.1598 802 V 3.8624 8.3114 113.7347 64.5887 31.5082 178.5075 803 R 4.0877 7.9104 116.6501 59.5718 30.0208 178.2701 804 E 4.1261 8.1498 117.4523 57.9317 29.8542 176.7556 805 H 4.7711 7.2206 113.8300 55.7887 29.9861 176.3860 806 K 3.9719 7.9717 121.5248 59.7050 31.5908 178.1759 807 D 4.3956 7.7995 115.4261 55.7441 40.9068 176.3468 808 N 4.8000 8.3999 116.7483 52.9236 39.4912 173.4848 809 I 4.2136 7.6036 117.9373 59.9311 37.9933 176.4765 810 G 4.0657 8.3402 112.6855 43.5082 0.0000 173.6302 811 S 4.1448 8.6296 116.4024 61.5701 62.7467 176.6490 812 Q 3.8603 8.0446 122.4131 59.1481 28.6809 177.9675 813 Y 3.2885 7.6891 117.0471 60.6956 38.1062 177.8390 814 L 3.7002 7.3799 119.8189 57.8669 41.7188 179.6605 815 L 4.1311 7.8585 118.5373 57.4764 41.6273 179.0698 816 N 4.2849 8.0023 116.5260 55.9935 38.3705 177.3135 817 W 4.4878 7.9653 120.4473 60.1913 29.2908 178.1037 818 C 3.8409 7.9055 116.1346 62.8796 27.3438 176.5688 819 V 3.6597 7.7301 119.5212 66.1772 31.1604 178.1932 820 Q 3.7326 8.3293 117.9650 58.9216 28.4488 178.7262 821 I 3.7661 8.3028 121.1288 64.3423 37.0420 178.4031 822 A 3.8934 8.1919 121.5055 54.8853 18.1827 179.8033 823 K 4.0231 8.4438 117.5595 59.4650 32.1156 179.7711 824 G 3.6371 8.1070 105.9381 48.2684 0.0000 175.7736 825 M 3.8884 8.0752 121.8923 57.6953 31.6378 178.3860 826 N 4.3136 8.2452 117.6180 56.7081 39.2139 176.3500 827 Y 3.9950 8.0959 121.0026 60.6491 38.8851 177.8084 828 L 3.9430 8.1036 119.9545 57.7899 41.6633 179.0515 829 E 3.6723 8.2833 119.2619 59.5438 29.3527 178.5900 830 D 4.3187 7.9951 117.5348 56.9369 40.8302 178.1152 831 R 4.2614 7.1196 115.4682 54.8917 30.4403 176.3512 832 R 4.0252 7.9405 117.2702 57.1345 28.3521 175.3457 833 L 4.9597 8.0123 117.2516 53.3421 43.1283 176.3408 834 V 4.5112 8.8691 123.4508 61.4769 33.2298 176.0103 835 H 4.0608 10.0361 128.1269 58.7284 29.8582 177.1798 836 R 4.2719 8.7640 114.1315 56.8241 28.3729 176.0696 837 D 4.7364 7.9108 116.1798 53.1455 41.6888 174.9041 838 L 3.8468 8.2336 119.6735 54.6195 42.8436 175.3359 839 A 4.8012 8.1535 125.7292 52.0562 21.8703 176.6726 840 A 4.1110 8.8829 122.5542 55.0362 18.5384 180.5481 841 R 4.0082 7.9096 111.3437 58.5845 29.9747 176.8005 842 N 4.8795 7.9716 115.9337 52.8460 39.9635 174.2572 843 V 4.7366 7.6757 118.6060 61.0849 34.6388 174.3046 844 L 5.0618 9.3156 127.4729 52.9508 45.4745 175.7324 845 V 4.2353 8.2859 121.0835 61.2073 32.4802 176.2417 846 K 4.0940 8.9075 131.1741 59.1742 32.5821 176.8223 847 T 4.2513 7.2918 105.9943 59.7485 70.9174 172.4117 848 P 4.0439 0.0000 0.0000 64.8634 31.3790 177.3179 849 Q 4.6467 7.7664 114.5854 55.8821 28.9519 175.0858 850 H 4.9268 8.7421 120.5629 56.0391 32.4178 172.6337 851 V 4.9485 9.1495 119.4024 59.7529 34.6012 175.6524 852 K 4.8350 8.8660 120.5978 54.8980 36.8821 176.0942 853 I 4.2635 8.7567 125.1950 61.9158 38.3755 175.2233 854 T 4.6485 8.1550 120.3339 61.3566 70.8869 171.7594 855 D 4.2041 8.7052 120.4231 55.0938 38.4924 172.7869 856 F 4.3674 8.1115 118.2521 56.7186 39.3942 177.7615 857 G 3.7797 7.7781 107.6199 47.1281 0.0000 175.1216 858 R 4.4513 7.4804 113.9067 55.8420 33.4889 174.9779 859 A 4.5906 7.7728 120.6811 52.4786 19.1464 177.4584 860 K 4.6961 9.0033 118.6297 54.5999 37.5092 175.8452 861 L 4.6212 8.4625 121.8923 54.3566 43.0058 176.3956 862 L 3.9946 8.3795 125.4026 57.0930 41.7939 175.6746 863 G 4.1268 9.3057 113.8232 45.9896 0.0000 173.9874 864 A 4.2268 7.5626 120.9142 52.3074 18.8106 176.8252 865 E 4.6418 8.2851 116.5474 54.7200 33.2681 178.2022 866 E 3.3283 8.0239 118.1734 57.0405 29.5891 177.2706 *876 V 3.7442 8.6908 116.3715 61.8595 31.7249 172.6978 877 P 4.7020 0.0000 0.0000 61.9564 30.4857 176.6836 878 I 3.8446 8.3459 127.5480 64.6240 37.4552 178.5165 879 K 4.1725 8.3840 117.1176 57.8168 31.8766 177.2288 880 W 4.7489 8.2206 117.3961 56.4528 30.0864 174.9930 881 M 4.4491 7.8458 118.8265 53.0659 33.0647 176.0831 882 A 2.0000 7.8736 125.5918 51.3494 19.4540 178.1555 883 L 3.4808 6.8684 122.1998 58.1699 42.2705 179.4907 884 E 3.7968 7.8343 117.5876 58.9320 29.0961 179.0884 885 S 4.0502 7.5248 116.7016 60.0779 62.8814 176.5626 886 I 3.6390 7.2520 121.2702 63.8477 36.9690 177.6276 887 L 4.3444 7.5292 118.7034 56.4285 42.3421 177.1732 888 H 4.8206 7.8789 111.6075 54.3653 30.8493 173.6081 889 R 3.6940 7.8567 116.1483 55.6569 27.8666 176.2692 890 I 3.9993 6.9231 116.5447 61.3565 37.8369 175.5045 891 Y 4.6856 8.3137 121.5944 57.0064 41.3160 174.0802 892 T 4.7662 9.2554 118.9546 59.4963 71.5030 173.9613 893 H 4.4236 8.8220 119.1844 59.3325 28.0715 177.8850 894 Q 4.1468 8.2377 118.8028 58.1663 28.0372 178.2104 895 S 4.5238 8.0262 114.8698 60.5906 63.3841 176.1348 896 D 4.6892 8.2574 122.5530 57.3086 40.5632 178.5932 897 V 3.5039 7.8305 118.6511 65.5469 31.6191 177.5578 898 W 5.1718 8.0118 128.8415 60.4606 30.5334 178.1662 899 S 4.8349 8.3961 113.9338 61.4524 62.2729 175.8905 900 Y 4.3397 8.9366 123.1443 60.7930 38.5713 178.1366 901 G 3.7893 8.6186 106.7413 48.2765 0.0000 175.5781 902 V 3.9122 8.3431 120.8481 65.8799 31.3570 178.2921 903 T 4.3666 8.2899 115.5528 66.6606 68.2746 176.7309 904 V 3.4587 8.2864 120.5504 65.8248 31.5767 177.8414 905 W 4.1413 8.6167 128.0042 60.5905 30.4991 177.6400 906 E 4.0977 9.2134 118.9886 59.5943 28.9518 179.4574 907 L 3.9983 7.9903 118.8985 58.0744 41.5090 179.3945 908 M 3.8798 7.9943 117.5880 57.1399 31.8771 177.7773 909 T 4.1357 6.8626 107.9997 60.0774 69.3742 174.2623 910 F 3.7712 8.4598 118.1245 59.1117 37.0820 175.8852 911 G 4.0844 8.3132 105.3351 45.8602 0.0000 174.9868 912 S 4.4439 7.4831 114.9238 57.8588 63.5066 173.8487 913 K 4.6991 8.4391 121.5976 54.3333 33.1340 175.2696 914 P 3.4486 0.0000 0.0000 63.7917 32.8501 175.8214 915 Y 3.4453 7.3766 117.5430 58.9112 35.2814 171.1158 916 D 4.4632 7.7973 117.4303 56.6398 41.5514 174.0962 917 G 4.1428 9.2910 120.3400 44.2180 0.0000 172.8942 918 I 3.4421 6.6364 120.1236 59.1660 37.0920 174.2088 919 P 4.4889 0.0000 0.0000 61.8185 32.4693 176.8555 920 A 3.9129 8.7679 121.6506 55.9971 17.8097 180.3476 921 S 4.0770 7.9717 111.8493 61.8296 63.1413 176.3320 922 E 4.0749 8.4351 121.2359 58.7287 29.2891 178.9637 923 I 3.3739 7.2278 120.3731 64.6165 36.7615 178.3224 924 S 4.1066 7.8615 113.4825 60.6532 62.8975 176.1715 925 S 4.0550 8.3013 117.6199 61.5830 62.1636 176.0008 926 I 3.5541 7.4241 122.0682 64.5775 36.7603 177.9773 927 L 4.2376 7.4696 117.7607 57.4825 41.4915 178.8199 928 E 4.1084 7.5705 118.2391 58.9582 29.6806 178.5444 929 K 4.0765 8.3672 118.2508 57.9617 32.1531 177.8395 930 G 4.0925 7.6138 105.3086 44.8660 0.0000 173.7148 931 E 4.0815 7.8575 120.1895 56.4177 30.1664 175.5223 932 R 4.5957 8.0114 121.9651 54.0733 34.5297 174.7171 933 L 3.5988 7.1938 118.5094 54.1552 41.8044 175.7966 934 P 4.6389 0.0000 0.0000 61.7746 32.3747 175.7564 935 Q 2.8260 8.0848 120.3986 55.2491 29.1322 174.5978 936 P 4.2335 0.0000 0.0000 61.8513 32.1371 175.3704 937 P 4.1977 0.0000 0.0000 65.8958 31.4105 177.6951 938 I 4.1649 7.5855 108.6992 61.6739 38.0604 174.8074 939 C 4.7019 7.7956 120.5107 58.4574 29.1460 173.8597 940 T 4.1467 8.2001 114.5147 61.1219 69.2716 175.2013 941 I 3.8161 8.4137 121.9321 64.2826 37.3331 177.5860 942 D 4.3847 8.2518 119.4563 57.5929 40.8639 179.0122 943 V 3.5160 7.5463 117.4191 66.1921 31.5911 177.4869 944 Y 4.2932 8.1497 119.3703 60.8173 38.6201 177.4852 945 M 3.8132 8.3475 119.5551 58.2822 32.0350 178.3062 946 I 3.5212 7.0568 118.7956 64.4755 37.6461 177.6857 947 M 3.5058 7.5494 119.1073 58.3058 31.5888 179.1200 948 V 3.1675 6.8983 117.9399 65.6054 31.6993 178.1489 949 K 3.7580 7.7437 118.2000 59.6062 31.8535 178.6528 950 C 4.2960 7.4046 115.4036 60.8716 27.6522 174.8063 951 W 3.4171 7.1416 119.9210 55.8947 29.2030 175.2514 952 M 4.2857 7.8845 118.4905 55.2180 32.4250 175.8026 953 I 3.8744 8.8698 127.5285 64.6859 37.5085 176.1069 954 D 4.3982 8.1086 123.1774 53.9340 40.3971 175.7768 955 A 4.0672 8.8661 130.4849 55.5431 18.3269 179.1284 956 D 4.6081 8.0000 112.2041 56.2052 41.0747 177.4159 957 S 4.3826 8.3517 115.0132 59.7992 63.3443 175.0470 958 R 4.6271 7.3674 118.2070 54.5502 30.3629 174.7620 959 P 4.5030 0.0000 0.0000 62.5616 32.2029 176.3435 960 K 4.2340 8.5540 119.5646 55.2846 33.4204 178.1533 961 F 4.2161 8.4756 121.0178 61.2062 38.8016 178.4713 962 R 3.9866 8.0568 114.6704 59.0220 29.2950 178.6242 963 E 4.0109 8.5300 120.1270 59.0947 29.5386 178.8471 964 L 4.1310 7.8678 118.5767 57.8188 41.6557 179.4815 965 I 3.7426 8.0740 119.7887 64.4730 37.1224 178.1758 966 I 3.6704 7.5258 119.9867 64.6854 37.1215 178.3095 967 E 3.8005 8.5163 119.2631 59.5971 29.2925 179.6544 968 F 4.0008 8.1709 117.6186 60.1734 38.6553 177.8324 969 S 4.1137 7.9698 112.5118 61.2025 62.3882 175.8301 970 K 4.0278 8.0625 121.2079 59.9592 31.8123 179.2136 971 M 3.5325 7.7064 118.2274 58.0704 31.5513 178.6368 972 A 4.1346 8.2441 120.1783 54.6930 18.5622 179.4371 973 R 4.1421 7.6710 115.7841 57.8217 31.8316 176.5020 974 D 4.8581 8.0299 117.9175 50.9708 41.2845 173.7653 975 P 4.5465 0.0000 0.0000 66.0139 31.5749 178.5486 976 Q 4.1381 7.9745 116.1157 58.1059 28.8310 177.7125 977 R 3.8089 7.7170 118.5785 58.2226 30.3067 176.1043 978 Y 4.7405 8.1436 115.0037 58.0378 41.3441 175.5883 979 L 5.1370 8.0211 117.5624 52.7471 44.9026 176.5464 980 V 4.2529 9.1738 124.0683 61.3451 33.3582 174.4413 981 I 4.7652 8.0231 128.7375 58.9587 39.7527 174.8437 982 Q 3.8594 8.8365 124.7752 58.1278 28.5962 176.8024 983 G 3.8740 8.9537 111.2538 45.5309 0.0000 174.0037 984 D 4.4113 8.2154 121.0356 57.0430 41.3926 178.5721 985 E 3.9653 8.3672 116.6536 58.7748 29.2710 178.2227 986 R 4.5961 7.5789 113.1932 55.7786 29.8702 175.5411 987 M 4.3799 7.8479 121.5090 55.7141 32.8710 176.1232 *988 H 4.9693 8.4867 118.7286 52.7337 32.0907 169.8106 989 L 4.6535 8.1496 121.6083 52.5309 44.8645 174.4620 *1002 M 4.2832 8.0218 116.8825 56.5429 32.7438 173.3584 1003 D 4.2445 8.0363 116.6497 51.6929 42.0187 175.2498 1004 E 3.8187 8.5855 125.4945 56.4870 28.8963 175.0549 1005 E 4.3222 8.6581 117.3432 58.2916 30.7444 178.5767 1006 D 4.8099 7.7784 117.1825 52.8574 38.1033 179.2976 1007 M 4.9059 7.8030 119.9488 54.6463 34.1654 177.4525 1008 D 4.4285 8.3852 121.1142 57.2924 41.2309 177.0245 1009 D 4.6863 7.8624 116.1029 53.9157 41.4197 176.0499 1010 V 4.2039 7.1761 119.4653 63.1666 32.1532 175.5380 1011 V 4.5022 8.6969 126.8388 60.9048 34.9459 174.2311 1012 D 4.5713 8.8439 126.8639 54.0444 42.1553 176.5515 1013 A 4.1641 8.9806 126.9302 55.6782 18.4646 179.6575 1014 D 4.4767 8.7032 114.5505 56.6443 40.8981 177.0956 1015 E 4.4918 8.3098 116.7579 55.9960 30.0454 175.5103 1016 Y 4.5448 8.1462 121.8613 55.8400 38.3656 174.2107 1017 L 4.5305 7.7922 125.6784 52.7078 43.6838 176.2987 1018 I 4.3265 7.7722 122.7028 58.3456 39.5789 173.9890 1019 P 4.3754 0.0000 0.0000 63.1657 30.9235 176.0432 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 696 G 8.35 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 0.00 0.00 0.00 697 E 8.52 4.08 0.00 2.06 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 2.30 2.33 0.00 698 A 8.35 4.15 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 0.00 699 P 0.00 4.21 0.00 2.19 2.08 0.00 3.76 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 1.99 1.96 0.00 700 N 8.64 4.57 0.00 2.73 2.84 0.00 0.00 7.01 7.08 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 0.00 701 Q 8.36 4.49 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 702 A 7.83 4.00 1.15 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 0.00 0.00 703 L 8.25 4.28 0.00 1.63 1.61 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 704 L 8.32 4.40 0.00 1.54 1.57 0.89 0.95 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 0.00 705 R 8.37 4.38 0.00 1.96 1.91 0.00 3.39 0.00 0.00 3.56 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 706 I 8.39 4.71 1.91 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 1.36 0.99 0.94 0.00 0.00 707 L 9.10 4.95 0.00 1.49 1.73 -0.21 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 708 K 9.18 4.11 0.00 2.06 1.75 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.44 7.81 709 E 9.00 3.15 0.00 1.87 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 2.21 2.00 0.00 710 T 7.56 3.95 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 1.14 0.00 0.00 711 E 8.26 4.30 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 712 F 7.43 6.05 0.00 3.19 3.24 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 0.00 713 K 8.78 4.53 0.00 1.86 1.98 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 714 K 8.69 4.55 0.00 1.50 1.58 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.24 1.43 7.81 715 I 7.96 4.69 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.58 0.94 0.00 0.00 716 K 7.89 4.36 0.00 1.82 1.63 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.33 7.81 717 V 8.65 4.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 1.00 0.00 0.00 718 L 8.52 4.54 0.00 1.57 1.63 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 719 G 7.32 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 0.00 720 S 8.88 4.73 0.00 3.89 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 0.00 721 G 10.37 3.31 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 0.00 722 A 8.09 3.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 723 F 9.60 4.54 0.00 3.08 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 0.00 724 G 7.76 4.23 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 0.00 725 T 7.96 4.62 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 0.67 0.00 0.00 726 V 8.30 4.41 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 0.76 0.00 0.00 0.89 0.00 0.00 727 Y 8.69 5.14 0.00 3.04 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 728 K 8.73 4.63 0.00 1.90 1.71 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.42 7.81 729 G 8.74 4.55 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 0.00 0.00 0.00 730 L 8.74 5.43 0.00 1.65 1.59 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 731 W 9.40 5.34 0.00 3.22 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 0.00 732 I 8.80 4.55 1.79 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 1.16 1.09 0.84 0.00 0.00 733 P 0.00 4.16 0.00 1.79 1.32 0.00 3.19 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.00 734 E 7.74 2.97 0.00 1.97 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 735 G 9.10 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 736 E 7.91 4.47 0.00 1.93 1.85 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 2.21 2.27 0.00 737 K 8.17 3.81 0.00 1.83 1.88 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.48 7.81 738 V 7.28 4.74 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.54 0.00 0.00 739 K 8.65 4.82 0.00 1.65 1.63 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.33 7.81 740 I 8.51 5.08 1.98 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.46 1.03 0.00 0.00 741 P 0.00 4.90 0.00 2.09 1.99 0.00 3.64 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 2.13 2.13 0.00 742 V 8.90 4.90 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 0.77 0.00 0.00 0.89 0.00 0.00 743 A 8.81 5.12 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 744 I 8.55 4.64 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.61 0.97 0.00 0.00 745 K 9.56 4.85 0.00 1.72 1.68 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.37 7.81 746 E 8.72 4.57 0.00 2.41 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 2.39 2.33 0.00 747 L 8.83 4.51 0.00 1.76 1.62 1.08 1.36 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 0.00 748 R 7.65 3.62 0.00 1.85 1.82 0.00 2.80 0.00 0.00 2.59 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 749 E 9.12 3.92 0.00 1.97 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 2.36 2.32 0.00 750 A 7.60 3.79 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 751 T 8.15 4.43 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 752 S 7.68 4.26 0.00 4.01 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 0.00 753 P 0.00 4.17 0.00 2.18 2.20 0.00 3.62 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 2.13 2.19 0.00 754 K 8.17 3.90 0.00 1.89 1.86 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.64 7.81 755 A 8.37 4.15 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 0.00 756 N 8.06 4.32 0.00 2.77 2.90 0.00 0.00 6.76 6.99 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 0.00 757 K 7.87 4.00 0.00 1.80 2.10 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.61 7.81 758 E 7.52 4.28 0.00 2.20 1.90 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 2.21 2.26 0.00 759 I 7.66 3.88 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 1.04 0.00 0.00 760 L 7.79 4.12 0.00 1.77 1.72 0.98 1.42 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 0.00 761 D 7.79 4.45 0.00 2.95 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 0.00 762 E 7.98 4.02 0.00 2.24 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 2.36 2.35 0.00 763 A 7.97 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 764 Y 8.29 3.91 0.00 2.99 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 765 V 8.11 3.67 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.13 0.00 0.00 766 M 8.63 3.74 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.37 0.00 767 A 8.37 3.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 768 S 7.32 4.38 0.00 3.76 3.71 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 0.00 769 V 6.65 4.55 2.13 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 0.58 0.00 0.00 0.69 0.00 0.00 770 D 8.99 4.33 0.00 2.51 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 0.00 771 N 7.84 4.50 0.00 1.44 1.86 0.00 0.00 7.10 7.71 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 0.00 772 P 0.00 4.28 0.00 1.82 1.98 0.00 3.53 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 773 H 8.74 5.13 0.00 3.26 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 774 V 7.43 4.95 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 0.88 0.00 0.00 1.07 0.00 0.00 775 C 9.17 4.31 0.00 3.14 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 0.00 776 R 8.49 4.38 0.00 1.91 1.79 0.00 3.19 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 777 L 8.39 4.55 0.00 1.60 1.47 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 778 L 9.20 4.20 0.00 1.22 1.06 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 779 G 6.60 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 780 I 7.93 5.10 1.85 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 1.09 0.92 0.87 0.00 0.00 781 C 8.93 5.17 0.00 3.15 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 0.00 782 L 8.41 4.39 0.00 1.58 1.63 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 783 T 8.01 4.15 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 1.35 0.00 0.00 784 S 7.18 4.67 0.00 3.80 3.88 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 0.00 785 T 7.16 4.60 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 0.00 786 V 8.36 4.11 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 0.90 0.00 0.00 1.01 0.00 0.00 787 Q 9.27 4.58 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 788 L 8.52 4.55 0.00 1.77 1.51 0.91 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 0.00 789 I 8.35 4.74 1.50 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 -0.09 0.34 0.00 0.00 790 T 8.66 4.93 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 1.17 0.00 0.00 791 Q 8.49 4.22 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 792 L 8.26 3.95 0.00 1.56 1.58 0.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 793 M 8.57 4.57 0.00 2.16 1.96 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 2.57 2.67 0.00 794 P 0.00 4.12 0.00 1.60 1.92 0.00 3.95 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 795 F 7.98 4.36 0.00 3.02 3.09 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 0.00 0.00 0.00 796 G 8.31 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 0.00 0.00 0.00 797 C 8.30 4.65 0.00 2.98 2.79 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 0.00 798 L 8.72 3.79 0.00 1.47 1.64 -0.21 -0.01 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 0.00 799 L 7.72 3.99 0.00 1.71 1.68 1.11 1.76 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 0.00 800 D 8.09 4.44 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 801 Y 7.98 4.07 0.00 3.13 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 0.00 802 V 8.31 3.86 2.37 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 1.26 0.00 0.00 1.08 0.00 0.00 803 R 7.91 4.09 0.00 2.07 2.04 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 804 E 8.15 4.13 0.00 1.88 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 2.09 1.85 0.00 805 H 7.22 4.77 0.00 2.96 3.02 0.00 5.70 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 0.00 806 K 7.97 3.97 0.00 1.47 1.04 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 807 D 7.80 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0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.66 7.81 824 G 8.11 3.64 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 0.00 0.00 0.00 825 M 8.08 3.89 0.00 0.51 0.85 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.67 0.00 826 N 8.25 4.31 0.00 2.98 3.00 0.00 0.00 6.82 8.36 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 0.00 827 Y 8.10 4.00 0.00 3.17 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 0.00 828 L 8.10 3.94 0.00 1.95 1.83 1.21 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 829 E 8.28 3.67 0.00 2.02 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 0.00 2.25 2.07 0.00 830 D 8.00 4.32 0.00 2.62 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 0.00 831 R 7.12 4.26 0.00 1.68 1.79 0.00 3.30 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.08 0.00 832 R 7.94 4.03 0.00 2.02 2.03 0.00 3.12 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 833 L 8.01 4.96 0.00 1.82 1.71 0.93 0.86 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 0.00 834 V 8.87 4.51 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 1.23 0.00 0.00 0.89 0.00 0.00 835 H 10.04 4.06 0.00 3.23 3.42 0.00 5.75 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 0.00 836 R 8.76 4.27 0.00 2.01 1.84 0.00 2.88 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.50 0.00 837 D 7.91 4.74 0.00 2.55 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 838 L 8.23 3.85 0.00 1.56 1.70 0.88 1.33 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 0.00 839 A 8.15 4.80 0.62 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 0.00 840 A 8.88 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0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 965 I 8.07 3.74 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.80 0.94 0.00 0.00 966 I 7.53 3.67 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 1.52 0.78 0.88 0.00 0.00 967 E 8.52 3.80 0.00 1.72 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 0.00 2.43 2.35 0.00 968 F 8.17 4.00 0.00 3.26 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 0.00 969 S 7.97 4.11 0.00 4.00 4.11 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 0.00 970 K 8.06 4.03 0.00 1.88 1.74 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.57 7.81 971 M 7.71 3.53 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.81 0.00 972 A 8.24 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 973 R 7.67 4.14 0.00 1.98 2.02 0.00 3.11 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 974 D 8.03 4.86 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 975 P 0.00 4.55 0.00 2.40 2.32 0.00 3.50 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.35 0.00 976 Q 7.97 4.14 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.11 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 977 R 7.72 3.81 0.00 1.69 1.53 0.00 3.10 0.00 0.00 2.89 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.30 0.00 978 Y 8.14 4.74 0.00 3.06 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 0.00 979 L 8.02 5.14 0.00 1.52 1.56 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 980 V 9.17 4.25 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 0.97 0.00 0.00 0.91 0.00 0.00 981 I 8.02 4.77 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.82 0.99 0.00 0.00 982 Q 8.84 3.86 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.30 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 983 G 8.95 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 0.00 984 D 8.22 4.41 0.00 3.02 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 0.00 985 E 8.37 3.97 0.00 2.15 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 2.37 2.27 0.00 986 R 7.58 4.60 0.00 1.88 2.05 0.00 3.05 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 987 M 7.85 4.38 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.46 0.00 *988 H 8.49 4.97 0.00 2.86 2.75 0.00 7.15 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 0.00 989 L 8.15 4.65 0.00 1.25 1.50 0.40 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *1002 M 8.02 4.28 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 1003 D 8.04 4.24 0.00 2.82 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 1004 E 8.59 3.82 0.00 2.13 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 2.21 2.35 0.00 1005 E 8.66 4.32 0.00 1.98 1.85 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 2.17 1.86 0.00 1006 D 7.78 4.81 0.00 2.69 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 1007 M 7.80 4.91 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 1008 D 8.39 4.43 0.00 2.64 2.73 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 1009 D 7.86 4.69 0.00 2.70 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 1010 V 7.18 4.20 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 0.70 0.00 0.00 0.93 0.00 0.00 1011 V 8.70 4.50 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 0.97 0.00 0.00 1.01 0.00 0.00 1012 D 8.84 4.57 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1013 A 8.98 4.16 1.39 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 1014 D 8.70 4.48 0.00 2.79 2.78 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 0.00 0.00 0.00 0.00 1015 E 8.31 4.49 0.00 2.10 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 2.27 2.27 0.00 1016 Y 8.15 4.54 0.00 2.88 3.12 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 1017 L 7.79 4.53 0.00 1.54 1.47 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 1018 I 7.77 4.33 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.91 0.00 0.00 1019 P 0.00 4.38 0.00 2.15 2.01 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.