NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 682 Q 4.3274 8.4445 119.1198 54.9248 29.7079 174.8670 683 L 4.0501 8.4289 113.1355 56.8800 41.2863 170.9858 684 I 4.1269 8.3467 118.7922 60.0535 39.5949 173.8511 685 P 4.4298 0.0000 0.0000 61.8982 33.1502 175.7059 686 P 4.3033 0.0000 0.0000 65.9267 31.1598 178.6824 687 L 3.9577 7.8398 119.7578 57.9938 41.9651 178.8543 688 I 3.8225 7.6775 119.4836 64.3769 37.1831 177.9776 689 N 4.3627 8.2384 117.4576 55.8477 38.3094 177.2483 690 L 3.9735 8.1426 122.0689 58.2490 42.0191 179.0288 691 L 4.1266 8.0886 117.8161 58.1371 41.6040 179.1072 692 M 4.2659 8.4124 119.0911 58.4803 31.7135 179.0182 693 S 4.2291 8.1473 113.3658 60.6535 63.2482 175.5255 694 I 4.2345 7.6423 114.3981 59.8847 38.3130 175.5896 695 E 4.0193 7.4269 122.1726 55.9634 29.9748 174.8986 696 P 4.4040 0.0000 0.0000 62.6166 31.9745 175.7361 697 D 4.6849 8.3236 120.5399 53.0379 42.4278 175.8162 698 V 3.7151 8.2483 120.3932 62.9556 31.8637 174.8843 699 I 4.5988 8.1152 127.0065 59.6952 39.4060 174.9050 700 Y 4.1893 8.6533 122.5306 57.0464 38.9256 175.6921 701 A 4.0876 9.2079 126.4802 53.2969 18.8032 179.0556 702 G 3.9158 8.7895 103.1078 46.3338 0.0000 173.1580 703 H 4.1327 8.2950 118.6415 55.6628 30.3237 174.8231 704 D 4.3725 8.1208 126.1384 53.3789 40.0203 175.6957 705 N 4.5351 8.3226 125.4380 51.2226 37.8283 173.1100 *708 P 4.1724 0.0000 0.0000 61.8704 32.5331 176.5801 709 D 4.4321 8.5396 120.6915 55.0691 41.4402 176.7735 710 T 4.5556 8.1356 119.3239 60.8628 73.2613 174.3813 711 S 3.7286 8.7052 122.6279 62.1637 62.9500 177.0058 712 S 4.1781 8.0569 114.9137 61.5238 62.1439 176.2934 713 S 4.1772 7.9832 116.4667 61.1604 62.8775 176.1014 714 L 3.9384 8.3103 123.0665 57.8001 41.3328 179.5837 715 L 4.0117 8.3535 119.1239 58.1325 41.5004 179.7729 716 T 3.7659 7.9801 115.7624 66.6346 68.2608 177.0371 717 S 4.1371 8.3055 117.2696 61.4683 62.7557 176.7168 718 L 3.8357 8.1471 122.1211 57.8125 41.3192 179.2673 719 N 4.4509 8.2737 116.5855 55.7591 38.5365 177.3754 720 Q 3.9204 8.2036 121.4211 59.0585 29.1093 177.9515 721 L 4.0801 8.2044 121.6746 58.2827 42.0482 179.0095 722 G 3.8011 8.4613 105.9957 47.9361 0.0000 175.2108 723 E 3.9278 8.1960 121.3945 59.2715 29.7221 179.2063 724 R 4.0215 7.9594 117.7638 59.3543 30.0146 179.1090 725 Q 4.1175 8.5612 118.2723 58.4718 28.6700 178.4809 726 L 3.9671 8.2431 122.0723 58.0000 42.1170 178.3557 727 L 3.9560 7.7193 119.9361 58.6256 41.8527 179.0605 728 S 4.1392 7.9064 112.2521 61.3727 62.2371 176.2740 729 V 3.7099 8.1719 121.2918 66.0049 31.1968 178.2698 730 V 3.7107 8.0664 118.1064 65.7810 31.1556 178.1767 731 K 4.0022 8.1942 117.5861 59.2208 32.2739 178.5114 732 W 4.4670 8.6894 129.2878 60.7738 30.3241 177.9515 733 S 3.3450 8.5645 114.1449 61.3651 61.9415 176.6495 734 K 4.0974 7.7495 120.4162 58.3573 31.8568 177.8184 735 S 4.5000 7.5723 113.1695 58.1344 64.1262 174.0405 736 L 3.7545 7.0466 124.1284 53.7344 41.8232 174.2913 737 P 4.4510 0.0000 0.0000 64.6607 31.8975 175.0005 738 G 4.2220 9.1248 110.5458 45.8297 0.0000 175.3344 739 F 4.1452 8.4312 121.9748 60.8784 39.4907 177.3345 740 R 4.1357 8.0239 115.3832 58.3938 29.2977 176.8853 741 N 4.5446 7.6644 114.5550 54.1465 39.0871 175.5695 742 L 4.1403 7.2781 118.0769 54.0799 42.4279 176.9032 743 H 4.0549 8.6882 120.2811 56.6668 31.5362 176.5405 744 I 3.6002 8.1309 127.2003 64.6360 36.9438 178.5033 745 D 4.3265 8.3168 119.3850 57.2905 40.6002 178.3531 746 D 4.1942 7.9272 119.0394 57.2241 40.9234 178.4140 747 Q 3.5789 8.0054 118.6944 59.1525 28.6406 179.3146 748 I 3.8117 7.9417 120.7231 64.4972 36.9958 178.6684 749 T 3.5809 7.9108 116.6627 66.6051 68.2385 176.7566 750 L 4.0092 8.1268 121.0674 57.6890 41.6713 179.6572 751 I 3.8778 7.9739 119.8509 64.6922 36.9018 178.5970 752 Q 4.3399 8.3122 117.7698 58.9742 28.5259 178.1196 753 Y 4.6101 8.4197 118.1219 60.4016 38.4540 177.1913 754 S 4.6578 8.3141 113.1706 57.8312 63.8300 175.8294 755 W 4.4791 8.2502 121.8605 60.5446 27.6452 177.9557 756 M 3.5491 6.3173 119.0025 57.5200 31.5446 178.1560 757 S 3.9898 7.6257 114.9446 61.5278 62.9997 176.4357 758 L 3.9872 8.1682 121.9637 58.1180 41.3062 179.5655 759 M 4.1640 8.1474 118.9053 58.1983 31.9864 179.1959 760 V 3.6616 8.2293 119.7877 64.5111 31.5298 178.3280 761 F 4.3962 8.5096 121.8375 61.1090 39.1779 177.5188 762 G 3.8116 8.7131 105.7652 47.4846 0.0000 175.5019 763 L 3.9800 8.2874 122.9644 57.9890 41.9649 179.3869 764 G 3.2855 8.0828 105.7349 47.2011 0.0000 175.4330 765 W 4.1442 8.4351 130.9605 60.4009 30.5856 178.2382 766 R 3.6621 8.2039 118.0840 59.3096 29.3965 179.3550 767 S 4.0206 8.1527 115.0649 61.4973 62.3304 175.8761 768 Y 4.2381 8.0796 122.4308 60.9084 38.3253 178.5912 769 K 3.1193 7.3622 118.0274 59.1918 32.0969 178.5532 770 H 4.3497 7.5982 114.7748 56.8056 29.1664 176.4814 771 V 4.4340 6.9014 111.9970 60.6581 32.9192 175.5693 772 S 3.9045 8.7307 112.2303 58.3347 60.2790 173.6804 773 G 4.0416 8.4540 106.7561 46.0898 0.0000 174.9098 774 Q 4.7413 8.3011 117.4696 56.0574 29.1038 174.6109 775 M 5.1341 7.7466 116.4996 54.0291 37.0180 174.0579 776 L 3.9555 8.3009 119.9878 53.3901 43.4138 175.9571 777 Y 4.2356 8.2141 128.2267 56.2566 36.4214 175.1014 778 F 4.0283 8.2133 121.7046 59.6638 40.0149 175.3816 779 A 4.4910 7.5912 120.7184 50.3597 22.1771 175.2064 780 P 3.7621 0.0000 0.0000 65.0625 31.3829 177.4242 781 D 4.8065 7.7481 115.1933 52.8847 39.8001 177.0466 782 L 4.4908 7.5954 122.9619 54.3446 43.9680 171.8943 783 I 4.7332 7.8596 121.9835 58.8788 39.7842 174.3574 784 L 4.7714 9.0125 128.2713 53.2789 43.9163 175.9910 785 N 5.5697 8.4104 121.5904 51.1709 40.5238 175.0418 786 E 4.3082 9.0689 116.6595 59.8449 29.7714 179.5278 787 Q 4.0186 7.8097 115.9025 58.4827 28.7959 177.2828 788 R 4.3973 8.1036 114.8161 56.3425 30.4272 177.3518 789 M 4.5628 7.6362 120.2427 53.9916 30.6883 175.6421 790 K 4.1348 7.6427 119.8662 57.3554 33.7571 177.5225 791 E 4.6433 7.7768 119.1696 54.2345 32.2986 176.4258 792 S 4.2773 8.6553 121.3977 61.8607 63.1480 177.0215 793 S 4.1252 8.2149 117.7327 60.8510 62.8770 175.8580 794 F 3.8021 8.7921 124.3799 61.3233 39.0378 176.5600 795 Y 4.3912 8.4225 119.1652 60.6558 38.6883 177.5014 796 S 3.8886 8.4025 114.3844 61.3050 62.4792 176.2257 797 L 3.8598 7.8965 121.6786 57.8577 41.2205 179.1965 798 C 4.0902 8.0483 116.7262 62.8138 27.8124 176.1844 799 L 4.2054 7.8569 119.8977 57.9625 41.2688 179.3964 800 T 4.1157 7.7764 115.5852 67.0331 68.4646 176.6379 801 M 4.0016 8.0827 120.5156 58.0003 31.9198 178.5560 802 W 4.1836 8.6312 128.6677 60.0109 30.7386 177.7562 803 Q 4.1286 7.8917 118.5463 59.1630 27.9817 179.0428 804 I 3.3879 7.5769 120.7229 63.7870 37.1396 176.8384 805 P 3.9474 0.0000 0.0000 65.6390 31.0425 178.3580 806 Q 3.9443 8.0658 118.1971 58.8855 28.5530 178.3118 807 E 3.9051 8.1360 120.3313 59.1772 29.6381 178.7240 808 F 4.1591 8.2777 118.3327 60.4429 38.6623 177.8992 809 V 3.5549 7.8404 117.9403 65.7951 31.1870 177.9456 810 K 3.9143 8.0149 118.3256 59.4020 32.1850 178.0469 811 L 4.2434 8.2075 116.5080 54.0777 42.8482 176.3330 812 Q 3.5411 7.5947 117.4759 56.6729 26.6165 174.4917 813 V 3.8438 7.5160 116.6545 63.0934 32.6341 175.8807 814 S 4.9168 8.9177 121.6864 57.0419 66.0408 175.1012 815 Q 3.4864 8.8502 123.1826 59.5509 28.5610 178.7071 816 E 3.9558 8.1491 118.8854 59.3041 29.5000 178.8120 817 E 4.0071 8.1671 118.6585 59.5221 29.5221 179.2234 818 F 4.0871 8.2982 120.6525 61.2887 39.1873 177.0723 819 L 3.6161 7.9979 118.6568 57.9952 41.4032 179.4129 820 C 4.2502 7.8409 116.6652 62.9141 28.0452 175.8158 821 M 3.9421 8.2460 120.6431 58.4594 31.6129 178.7843 822 K 3.5555 8.0361 119.7582 59.1053 32.3847 179.0242 823 V 3.5221 7.4100 118.7073 66.0708 31.1680 178.1261 824 L 4.0508 7.5853 117.2589 57.4619 41.4396 178.9583 825 L 3.9688 7.6177 120.0936 57.7655 42.0173 178.0989 826 L 4.2269 7.5330 120.8497 56.8869 41.9273 178.0222 827 L 5.0405 7.4504 116.2064 54.7848 42.8796 176.2660 828 N 5.0009 8.0766 115.6996 53.7812 40.2416 173.7778 829 T 5.3166 7.9478 113.0755 62.5603 72.8413 172.8583 830 I 4.8528 8.7364 118.2007 58.1346 41.7133 173.2163 831 P 4.7877 0.0000 0.0000 62.2700 31.8626 177.7141 832 L 3.9212 8.5876 120.8584 57.9963 41.5720 178.2670 833 E 4.1354 8.1473 113.3637 55.9188 29.8006 177.0211 834 G 3.8161 8.0150 107.7049 45.3084 0.0000 173.0263 835 L 4.3955 8.2254 118.8375 53.1852 42.9583 177.8938 836 R 3.9738 9.0260 120.3459 59.0414 30.4626 179.1674 837 S 4.7787 8.8831 115.3878 57.7493 62.1305 175.8328 838 Q 3.9888 7.8956 124.7052 59.6337 29.2133 176.9247 839 T 3.8907 7.9414 116.1538 66.9384 68.5166 176.1608 840 Q 4.0057 8.0826 120.7651 58.9086 29.0535 177.6158 841 F 4.2139 8.6051 122.1280 61.5780 39.3831 176.8870 842 E 3.8337 8.6926 118.2818 59.4851 29.2695 179.2277 843 E 3.9250 8.2536 118.5051 59.5493 29.5202 179.1877 844 M 4.0351 8.1513 118.2782 58.7087 32.3619 178.1698 845 R 3.8525 7.9223 119.1981 59.6056 30.0684 178.5895 846 S 4.1578 8.2518 115.0210 61.7427 62.8077 176.8356 847 S 3.9964 8.1578 117.8294 61.6519 62.4518 176.0460 848 Y 4.1598 8.0290 118.6526 59.8804 37.8156 178.0538 849 I 3.8787 8.0809 121.5377 64.5296 37.2616 178.4849 850 R 3.9612 8.2761 119.1214 59.1626 29.7482 178.8031 851 E 3.9081 8.1782 119.2206 59.0605 29.5678 178.4063 852 L 3.9857 8.2625 120.6485 58.3958 42.0146 178.9522 853 I 3.7881 7.9663 119.5484 64.5205 36.8211 178.5720 854 K 3.9630 7.8926 117.9023 59.2803 32.1085 178.9142 855 A 4.1706 8.3141 121.4531 55.3012 18.2448 179.7570 856 I 3.9696 8.1853 118.6534 64.5231 36.7544 178.8722 857 G 3.7195 8.3691 106.3115 47.2679 0.0000 175.5284 858 L 3.8452 7.5470 120.1318 57.0336 41.5742 177.8822 859 R 4.3525 7.3761 114.2664 57.6604 32.7860 175.9306 860 Q 4.2762 8.3698 121.9477 55.4978 27.4679 176.4258 861 K 4.1696 8.5294 125.2107 56.8453 32.6041 176.8068 862 G 3.8708 7.8437 107.6203 45.1446 0.0000 174.4590 863 V 3.5539 8.4569 120.4476 65.8277 31.5059 178.8126 864 V 3.5602 7.6450 117.3904 66.1449 31.5750 177.8337 865 S 4.1129 8.0151 112.7281 61.3022 62.2405 175.9472 866 S 4.2535 8.2725 117.0166 60.9221 62.9665 176.2327 867 S 4.1248 8.1064 116.9151 61.7083 62.0984 176.3796 868 Q 4.1544 8.3918 120.6166 58.8964 28.2868 178.8453 869 R 4.2437 8.1624 121.3673 58.6719 30.0844 178.2592 870 F 4.0756 8.6255 120.9003 61.3540 39.2798 176.3587 871 Y 3.9838 8.2705 119.1530 60.9116 38.0805 178.2254 872 Q 3.8939 8.2727 118.8835 59.0036 28.8901 178.9081 873 L 3.9914 8.0666 120.4958 57.8271 41.6144 179.6326 874 T 3.2912 7.4762 109.8985 64.2383 68.5119 176.7457 875 K 3.8672 7.8949 122.7337 58.7057 31.8398 178.5864 876 L 3.9206 7.6071 120.2556 58.1286 42.4064 178.6636 877 L 4.0597 7.7596 118.6856 57.8812 41.6549 179.1391 878 D 4.4622 8.3547 118.9031 57.6376 40.8634 178.7182 879 N 4.4675 8.6193 116.8629 55.8284 38.4258 177.3505 880 L 4.0534 7.6708 120.0643 57.5982 41.4375 179.0103 881 H 4.1469 7.9900 116.4826 58.9604 28.3720 177.4651 882 D 4.3532 7.9696 119.3206 56.9339 40.6347 177.9644 883 L 4.0376 7.8021 120.9122 58.2932 42.0518 179.2893 884 V 3.5910 7.9449 117.8155 65.1678 31.3853 177.7828 885 K 3.8802 7.6911 120.0122 59.6929 31.9747 178.6982 886 Q 4.0607 7.7732 117.0314 58.8586 28.5014 178.6697 887 L 4.1350 7.6599 119.5815 57.7620 41.8565 178.9001 888 H 4.2582 8.5187 116.7800 58.6616 28.5154 177.6400 889 L 3.9756 8.0845 122.1424 58.3836 41.9868 178.3398 890 Y 3.9751 8.1337 119.5552 60.7207 38.6029 177.4351 891 C 4.3000 8.7005 120.0952 62.6758 31.7032 175.4888 892 L 3.9664 8.1103 121.7326 58.0490 41.4751 178.3898 893 N 4.2943 8.1915 115.8190 56.7292 38.7681 177.2332 894 T 3.9520 7.8991 116.9437 66.6174 68.3762 176.5320 895 F 3.5521 8.2750 121.9357 60.8211 39.3559 176.2655 896 I 4.0529 7.5983 109.9155 60.9838 38.0611 175.5964 897 Q 4.6077 7.9851 119.8448 55.2643 29.2475 177.8342 898 S 4.2695 8.1969 115.9331 62.7468 63.2878 175.0241 899 R 3.8775 7.9883 121.0442 59.1827 29.6994 178.8114 900 A 4.0749 7.9703 117.9582 54.4603 18.4970 178.5167 901 L 4.3736 7.5780 118.0331 54.7368 42.2732 177.4986 902 S 3.7720 7.7281 113.8168 59.0439 60.1208 177.0443 903 V 4.3262 7.8908 121.7081 61.7362 32.4449 174.7685 904 E 4.3782 8.5336 127.8883 55.6073 30.1899 176.0548 905 F 4.7099 8.7480 122.0763 54.8928 41.0037 174.3991 906 P 4.5908 0.0000 0.0000 62.0175 33.3824 177.3476 907 E 4.0076 8.5895 117.9865 60.1212 29.4895 179.6851 908 M 4.0528 8.8721 119.1617 58.4651 32.0588 178.5417 909 M 3.6574 8.6459 118.8103 58.5409 32.3128 178.4117 910 S 4.1271 8.4952 115.8101 61.4778 62.9927 176.3309 911 E 3.8830 8.0564 121.7749 59.4293 28.9357 179.3799 912 V 3.5666 7.4060 111.9706 64.1049 31.4824 178.6241 913 I 3.6266 7.4630 119.3868 64.4480 36.7163 178.4393 914 A 3.9767 7.6953 119.9047 54.9358 18.2208 179.2098 915 A 4.1572 7.9529 118.8893 54.7093 18.7631 178.4694 916 Q 4.4899 7.9723 112.7849 55.5653 32.0411 177.2842 917 L 3.8964 8.2267 119.6384 57.9056 41.9683 177.3804 918 P 4.3198 0.0000 0.0000 65.3416 31.3105 178.5607 919 K 3.9559 7.9702 118.1294 59.3163 32.2150 178.7765 920 I 3.5287 8.1028 120.5288 64.4816 36.8573 178.2631 921 L 3.9845 8.1412 118.3283 57.8217 41.5665 179.0218 922 A 4.2302 7.9429 118.3792 52.8940 18.3485 178.2323 923 G 3.8256 7.9027 105.5227 45.6642 0.0000 174.0901 924 M 4.6451 7.6672 118.2634 54.3150 31.0057 176.0802 925 V 4.3832 7.3927 109.3630 60.0697 36.8539 176.0741 926 K 4.4139 9.1042 125.1774 54.0117 32.5845 173.1939 927 P 4.5211 0.0000 0.0000 62.5711 31.9537 175.9055 928 L 4.5665 8.8248 123.9003 53.6869 42.9767 176.2733 929 L 4.9071 8.0363 120.9651 53.0877 45.3793 176.8718 930 F 4.3048 9.7030 120.7775 59.0927 39.4093 176.0285 931 H 4.9445 7.7132 119.6012 55.2264 31.4613 174.3784 932 K 5.2706 7.9836 124.1104 53.6756 31.4888 172.5258 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 682 Q 8.44 4.33 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.05 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 683 L 8.43 4.05 0.00 1.74 1.61 0.92 0.47 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 0.00 684 I 8.35 4.13 1.88 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 1.43 1.53 0.92 0.00 0.00 685 P 0.00 4.43 0.00 2.35 1.95 0.00 3.66 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 2.12 2.14 0.00 686 P 0.00 4.30 0.00 2.25 2.31 0.00 3.69 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 2.06 2.01 0.00 687 L 7.84 3.96 0.00 1.72 1.90 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 688 I 7.68 3.82 2.04 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 1.68 0.67 0.94 0.00 0.00 689 N 8.24 4.36 0.00 3.00 2.88 0.00 0.00 6.63 6.59 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 0.00 690 L 8.14 3.97 0.00 1.80 1.86 0.94 0.51 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 0.00 691 L 8.09 4.13 0.00 1.86 1.83 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 692 M 8.41 4.27 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.57 0.00 693 S 8.15 4.23 0.00 4.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 694 I 7.64 4.23 1.98 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.92 1.00 0.00 0.00 695 E 7.43 4.02 0.00 2.06 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 0.00 2.36 2.36 0.00 696 P 0.00 4.40 0.00 2.10 2.01 0.00 3.63 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 697 D 8.32 4.68 0.00 2.70 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 0.00 698 V 8.25 3.72 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 0.60 0.00 0.00 0.97 0.00 0.00 699 I 8.12 4.60 1.90 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 1.48 1.04 0.98 0.00 0.00 700 Y 8.65 4.19 0.00 3.01 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 0.00 701 A 9.21 4.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 869 R 8.16 4.24 0.00 2.01 2.10 0.00 3.18 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 870 F 8.63 4.08 0.00 3.12 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 0.00 871 Y 8.27 3.98 0.00 3.27 3.19 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 0.00 0.00 0.00 872 Q 8.27 3.89 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.77 0.00 873 L 8.07 3.99 0.00 1.44 1.59 0.91 0.96 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 0.00 874 T 7.48 3.29 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 -0.58 0.00 0.00 875 K 7.89 3.87 0.00 1.03 1.55 0.00 1.49 0.00 0.00 1.44 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.31 1.39 7.81 876 L 7.61 3.92 0.00 1.83 1.91 1.12 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 877 L 7.76 4.06 0.00 1.96 1.71 0.84 0.78 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 0.00 878 D 8.35 4.46 0.00 2.94 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 0.00 879 N 8.62 4.47 0.00 2.82 2.86 0.00 0.00 7.04 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 L 7.67 4.05 0.00 1.76 1.61 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 881 H 7.99 4.15 0.00 3.35 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 882 D 7.97 4.35 0.00 2.76 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 0.00 883 L 7.80 4.04 0.00 1.70 1.74 0.95 0.80 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 0.00 884 V 7.94 3.59 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 0.52 0.00 0.00 0.82 0.00 0.00 885 K 7.69 3.88 0.00 1.79 1.89 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 886 Q 7.77 4.06 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 887 L 7.66 4.13 0.00 1.70 1.66 0.84 1.08 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 0.00 888 H 8.52 4.26 0.00 3.30 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 889 L 8.08 3.98 0.00 1.81 1.86 0.94 0.69 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 0.00 890 Y 8.13 3.98 0.00 3.16 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 0.00 891 C 8.70 4.30 0.00 3.29 3.30 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 0.00 892 L 8.11 3.97 0.00 1.81 1.65 0.90 0.46 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 0.00 893 N 8.19 4.29 0.00 2.86 2.73 0.00 0.00 7.10 8.21 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 0.00 894 T 7.90 3.95 4.58 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 1.47 0.00 0.00 895 F 8.28 3.55 0.00 2.40 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 0.00 896 I 7.60 4.05 1.84 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 1.86 0.69 1.06 0.00 0.00 897 Q 7.99 4.61 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 898 S 8.20 4.27 0.00 4.60 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 899 R 7.99 3.88 0.00 1.84 2.01 0.00 3.11 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 900 A 7.97 4.07 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 0.00 901 L 7.58 4.37 0.00 1.91 1.78 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 902 S 7.73 3.77 0.00 3.84 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 0.00 903 V 7.89 4.33 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 0.73 0.00 0.00 1.04 0.00 0.00 904 E 8.53 4.38 0.00 2.00 1.88 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 2.35 2.29 0.00 905 F 8.75 4.71 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 906 P 0.00 4.59 0.00 2.47 2.02 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 907 E 8.59 4.01 0.00 1.99 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 2.43 2.36 0.00 908 M 8.87 4.05 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 909 M 8.65 3.66 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.44 0.00 910 S 8.50 4.13 0.00 4.18 4.17 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 0.00 911 E 8.06 3.88 0.00 2.09 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 0.00 2.28 2.35 0.00 912 V 7.41 3.57 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 0.64 0.00 0.00 -0.32 0.00 0.00 913 I 7.46 3.63 1.16 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 -0.07 0.00 0.00 914 A 7.70 3.98 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 0.00 915 A 7.95 4.16 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 0.00 916 Q 7.97 4.49 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 917 L 8.23 3.90 0.00 1.90 1.62 0.68 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 918 P 0.00 4.32 0.00 2.20 2.08 0.00 3.59 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 2.12 2.14 0.00 919 K 7.97 3.96 0.00 1.84 1.98 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.49 1.53 7.81 920 I 8.10 3.53 1.88 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 1.11 0.72 0.78 0.00 0.00 921 L 8.14 3.98 0.00 1.62 1.74 0.98 0.87 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 0.00 922 A 7.94 4.23 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 0.00 923 G 7.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 924 M 7.67 4.65 0.00 1.90 2.14 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 2.55 2.75 0.00 925 V 7.39 4.38 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.68 0.00 0.00 926 K 9.10 4.41 0.00 1.74 1.76 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.32 7.81 927 P 0.00 4.52 0.00 1.74 1.65 0.00 3.45 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 928 L 8.82 4.57 0.00 1.54 1.49 1.14 0.94 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 0.00 929 L 8.04 4.91 0.00 1.53 1.67 0.92 0.95 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 0.00 930 F 9.70 4.30 0.00 2.78 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 931 H 7.71 4.94 0.00 3.32 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 932 K 7.98 5.27 0.00 1.81 1.60 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.06 7.81 * Residues marked with a * may have inaccurate shift predictions.