NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 773 D 4.5674 8.3644 120.5307 53.6789 42.3264 174.1917 774 V 3.5002 8.1055 120.2095 62.3793 31.9555 174.3093 775 R 4.0421 8.7029 126.7080 56.1098 31.6194 176.9393 776 Q 3.9570 8.8458 123.4192 59.2501 29.1766 177.7489 777 E 4.1657 8.1574 116.2973 57.8302 30.1153 176.5173 778 E 4.7054 8.1367 117.1057 56.3633 30.4952 177.7188 779 L 4.0514 7.9492 122.9424 57.6911 41.4921 179.6611 780 G 3.1034 8.0279 105.0517 47.6235 0.0000 175.5027 781 A 3.9656 7.7973 122.9808 54.7473 18.4053 179.7743 782 V 3.4997 7.8227 117.1171 65.9126 31.3420 178.7071 783 V 3.4413 7.6568 118.6444 64.4726 31.3603 177.8542 784 D 4.3989 7.5973 118.7104 57.1813 40.9670 178.4105 785 K 4.0863 8.0067 119.8775 59.3536 32.0083 178.8970 786 E 4.1616 8.0613 115.6085 57.0511 29.0561 178.4901 *788 A 4.1645 8.0262 124.4730 52.1815 20.8133 179.8275 789 A 4.0121 8.0912 117.8311 55.4641 18.3075 180.0772 790 T 3.8513 8.1451 114.6640 66.8182 68.5468 177.2640 791 S 4.1214 8.0147 116.4541 61.5284 62.8093 176.4745 792 A 4.0136 8.2458 123.3655 54.9776 18.0570 179.5875 793 A 3.9533 8.1623 119.4512 55.2514 18.4120 180.0123 794 I 3.6933 7.9371 118.4700 64.5798 37.2181 178.5226 795 E 3.9946 8.3332 119.4760 59.3404 29.1616 179.0130 796 D 4.3678 8.4155 119.0304 57.3423 40.8251 178.7438 797 A 3.9677 8.0741 121.1648 55.1575 18.4240 179.7290 798 V 3.5252 7.8919 116.7134 66.2725 31.5639 178.4689 799 R 3.9148 8.0400 117.6276 59.3262 29.7196 179.0957 800 R 3.9057 7.9965 117.3793 59.4463 30.1450 178.3290 801 I 3.8864 7.8404 118.9917 64.4315 37.1831 177.9851 802 E 4.3246 8.1155 118.4990 58.3979 30.1489 177.4815 803 D 4.3689 8.1058 119.1283 54.5325 39.6283 175.5117 *806 N 4.5935 8.3097 124.1142 53.2890 41.1532 176.6213 807 Q 4.0453 8.1998 116.8479 58.7048 28.6230 178.3799 808 A 3.9974 7.9716 121.4909 55.3431 18.1739 179.6578 809 R 3.8746 7.4181 114.2792 59.1061 30.1566 177.9303 810 H 4.8500 7.7256 113.1083 55.5981 29.1082 175.2160 811 A 4.6557 7.4437 122.3314 50.8199 19.7741 175.4538 812 S 4.5738 7.6690 110.6666 59.3505 65.0487 174.9189 813 S 4.4650 8.0376 113.0036 58.9169 65.7210 174.8201 814 G 3.7930 8.6465 109.0787 46.6382 0.0000 175.6323 815 V 3.5463 8.5039 117.4924 65.9617 31.4315 178.0556 816 K 3.8967 8.0357 118.6815 59.5266 32.0748 178.2580 817 L 3.9374 7.7627 120.4556 58.1406 41.8914 178.4919 818 E 3.9303 8.3295 119.2878 59.4495 29.6009 179.2742 819 V 3.6600 8.2254 112.8684 64.4545 31.5893 178.3973 820 N 4.5227 8.4570 116.1927 56.0889 38.3215 177.3912 821 E 3.9837 8.2604 120.4999 59.1926 29.5543 179.1900 822 R 3.9200 7.8388 119.0143 59.2802 30.0670 178.7244 823 I 3.7233 7.8959 119.6525 64.4635 37.1014 178.3555 824 L 4.0437 8.1560 119.9568 58.0003 41.4264 179.4638 825 N 4.3519 8.3711 116.4621 56.1806 38.4497 177.5002 826 S 4.1276 8.1181 114.7551 61.5220 62.2588 176.0074 827 C 4.1974 8.3081 119.0540 63.0259 27.9030 175.9162 828 T 4.0331 7.9566 116.7226 66.7498 68.3752 176.1136 829 D 4.5628 8.1677 120.8221 57.0877 40.7920 179.0801 830 L 3.9101 7.7859 118.3312 55.6658 41.9724 178.6267 *832 K 4.2266 8.1122 118.7068 55.8619 34.2970 178.1509 833 A 4.0616 7.8772 120.5615 55.0750 18.0932 179.7890 834 I 3.7389 7.9358 118.5613 64.1605 37.1560 178.4556 835 R 3.8598 7.9646 119.2658 59.4810 29.8629 178.1883 836 L 3.9587 7.7471 119.5243 57.9198 41.9984 178.5534 837 L 3.9212 7.9512 120.3524 58.2748 41.9739 179.2225 838 V 3.5897 8.1269 118.4702 66.1713 31.4379 178.1154 839 T 3.8505 7.9966 115.5038 67.0573 68.2873 176.7870 840 T 3.9103 8.1864 117.8633 66.5584 68.3386 176.7325 841 S 4.1077 8.4852 115.5218 61.7112 62.4591 176.2932 842 T 3.8736 8.1671 118.6279 66.7969 68.1390 176.7828 843 S 4.1613 8.0731 117.0738 61.4053 62.7743 176.5259 844 L 3.9928 8.1853 123.1100 58.1832 41.8157 178.8782 845 Q 4.3366 8.3850 118.1488 59.2112 28.6922 179.1456 846 K 3.9815 8.2235 119.2668 59.4556 32.1142 178.9626 847 E 3.8934 8.3688 119.5307 59.3056 29.5827 178.8501 848 I 3.5844 7.9549 119.9130 64.3867 37.2160 178.5982 849 V 2.0256 7.7339 118.9603 65.5934 31.0727 177.9247 850 E 3.8443 8.0816 117.7290 59.0606 29.3907 178.8713 851 S 4.4293 7.9649 112.2385 59.4196 63.6420 175.4503 852 G 4.0062 7.1259 107.3597 45.0572 0.0000 175.2978 853 R 4.3667 7.9097 118.4609 55.3417 29.6932 179.1505 854 G 3.8792 8.5195 106.1839 46.8632 0.0000 175.2304 855 A 4.1928 9.0069 127.1845 52.4839 19.0140 178.3181 856 A 4.5247 7.9406 119.4322 51.3298 19.7703 177.8712 857 T 4.3804 8.4133 111.0701 60.8515 71.2815 176.2193 858 Q 3.9699 8.5215 119.8100 59.1583 28.6609 178.5816 859 Q 4.1913 8.3590 120.0534 59.6165 28.9669 178.5079 860 E 4.0081 8.4995 119.3488 59.3619 29.2954 179.1150 861 F 3.9752 8.2171 119.4890 61.5728 39.7563 176.4604 862 Y 4.5615 8.6268 116.5347 61.1879 37.4572 178.4313 863 A 4.1237 8.3739 121.0667 54.7446 18.6068 178.9604 864 K 4.2944 7.9763 114.1192 56.7233 33.0065 176.6497 865 N 5.0719 7.8281 117.6796 51.6348 39.9563 176.6580 866 S 4.1942 8.5124 115.4356 62.0814 63.0115 175.4705 867 R 3.9377 8.0844 121.0945 58.6462 29.9593 178.7114 868 W 4.2358 8.2404 127.4487 60.8603 30.8645 177.9874 869 T 3.5867 8.4128 115.8515 66.7225 67.8618 176.5746 870 E 4.0489 8.8969 120.9005 59.1975 29.3898 179.6718 871 G 3.5341 7.9777 105.6451 47.5440 0.0000 175.9034 872 L 3.8283 7.4310 121.0526 57.5124 41.5284 179.6017 873 I 3.5245 7.4853 119.7857 64.1953 37.1300 178.4201 874 S 3.8935 8.0968 113.7970 61.4543 62.4227 176.1737 875 A 3.9751 8.0141 123.4523 54.9555 18.0338 179.6082 876 S 3.9344 8.1502 112.0329 61.3277 62.4915 176.2268 877 K 3.4975 7.9839 122.2266 59.2951 31.7187 178.6492 878 A 4.0314 7.6373 120.6023 54.9965 18.2246 179.7984 879 V 3.6468 7.7397 116.7024 65.9279 31.7091 178.5409 880 G 3.5672 7.9876 105.5121 47.7583 0.0000 175.7864 881 W 4.6394 8.2921 122.0194 59.2883 29.0169 178.8707 882 G 3.6670 8.6487 106.0443 47.6912 0.0000 175.5606 883 A 4.0447 8.2618 123.3084 55.3328 18.4414 179.8694 884 T 3.8753 7.8911 113.8202 66.7560 68.4410 176.8998 885 Q 3.9345 8.4150 120.2113 59.0170 28.7375 178.6866 886 L 3.9415 8.0267 121.2432 58.0791 42.0352 179.0996 887 V 3.5640 7.9151 118.2402 65.9345 31.3759 177.6506 888 E 3.8721 8.2143 118.8105 59.1917 29.5476 178.5888 889 A 3.9285 8.2087 120.6974 55.1375 18.3804 179.4956 890 A 3.9102 8.2732 119.5333 55.1401 18.4005 179.2264 891 D 4.2620 8.2484 116.6353 57.6460 41.2717 178.6993 892 K 3.9721 8.3197 119.4248 59.3834 31.7888 179.6968 893 V 3.5748 7.4119 118.3485 64.4866 31.6308 178.4251 894 V 3.7220 7.9609 118.4086 64.9370 31.5771 176.5921 895 L 4.6130 7.9056 115.3791 54.9731 43.5813 176.2580 896 H 4.8288 7.6091 118.3814 55.6907 29.3011 174.1453 897 T 4.5192 8.5897 115.8101 62.1921 68.8513 174.6110 898 G 3.7942 8.0663 111.6332 45.8912 0.0000 173.7516 899 K 4.3964 8.0588 118.2163 55.1853 33.5239 178.1861 900 Y 4.0869 8.3998 120.1745 60.9928 37.7995 178.6222 901 E 4.0702 8.2839 119.4682 59.3193 29.5100 178.7331 902 E 3.9856 8.0773 119.3791 59.0313 29.7016 178.6201 903 L 3.9788 7.8666 120.1109 58.0837 42.3441 178.8649 904 I 3.7482 7.8913 119.9999 64.2698 36.9569 178.6160 905 V 3.6999 7.9666 119.1831 66.2431 31.4135 177.9465 906 C 4.1990 8.3608 116.5914 62.8635 27.7641 176.3192 907 S 4.1896 8.2385 116.9664 61.6898 62.4101 176.4202 908 H 4.2655 8.1266 118.8128 58.9827 28.5031 177.7605 909 E 4.0554 8.6333 120.8323 59.3285 29.1667 179.2690 910 I 3.7650 8.0356 118.6573 63.8943 38.0575 177.8439 911 A 4.0686 8.1745 123.0773 54.3307 18.1386 179.5342 912 A 3.9756 7.9385 119.1123 55.3957 18.5633 179.9940 913 S 4.1018 8.1671 113.9896 62.0120 62.5554 177.1260 914 T 3.9300 8.2871 112.4758 64.6782 68.4894 176.6121 915 A 4.0884 8.2121 123.6295 54.8760 18.2767 179.3724 916 Q 3.9060 8.1468 118.3483 59.0185 29.1033 178.0403 917 L 3.9435 7.8138 121.5111 57.8093 42.0063 179.1215 918 V 3.5742 7.9477 118.0809 65.8364 31.3884 177.7697 919 A 3.9827 8.2313 120.4122 55.2950 18.0595 179.2537 920 A 4.0235 8.0967 118.1045 55.6818 18.4504 179.7933 921 S 4.4185 8.0574 112.4884 61.6958 63.2488 176.4987 922 K 4.1041 8.6791 122.6086 59.3971 31.5907 178.8262 923 V 3.4865 7.2822 118.4485 65.9800 31.5591 176.6789 924 K 4.1537 7.8756 115.4539 55.9701 32.0076 176.7489 925 A 4.3683 8.0135 123.1230 52.1312 19.3327 177.3658 926 N 4.9920 7.9132 114.4954 53.5315 39.3624 174.6657 927 K 3.8294 8.1636 109.2859 57.8022 30.6986 174.2956 928 H 5.0042 7.6508 113.2204 54.5875 33.0118 172.8224 929 S 4.5699 8.5681 116.0005 57.5947 63.3105 174.0106 930 P 4.4336 0.0000 0.0000 63.7061 28.9557 173.2162 931 H 3.8010 8.4330 119.3207 56.8144 26.1831 175.1721 932 L 4.0868 7.9509 124.7289 57.5458 41.9510 178.7306 933 S 4.1674 8.0304 114.3155 61.2882 63.0637 176.2911 934 R 4.2651 7.8458 123.2224 58.5564 29.9570 178.0096 935 L 3.9798 7.7276 120.2368 58.4319 42.2255 179.0411 936 Q 4.0657 8.2038 117.9083 58.9990 28.4714 178.6214 937 E 4.0686 8.3003 119.6755 59.3707 29.3717 179.1401 938 C 4.1826 8.1427 117.1331 62.6898 28.0775 175.9882 939 S 4.1096 8.2011 114.8718 61.4059 61.9934 176.4468 940 R 3.9298 7.9505 120.5044 59.4970 29.7380 179.2179 941 T 3.8828 7.9978 115.5974 66.4946 68.3847 176.8913 942 V 3.5829 8.1246 120.5196 66.2093 31.6547 177.7970 943 N 4.3367 8.4358 116.3917 56.3274 38.3568 177.3197 944 E 3.9656 8.3161 119.9178 59.6067 29.6386 179.6764 945 R 3.9565 8.4651 118.2542 59.0889 30.0627 179.0456 946 A 4.0049 8.3368 120.7638 54.9860 18.2799 179.5739 947 A 3.9709 8.0085 119.3082 55.2043 18.4381 179.3986 948 N 4.2285 8.2382 115.7496 56.6631 39.0135 177.3536 949 V 4.1266 7.7748 121.1190 65.4369 31.6431 178.1568 950 V 3.5469 7.8313 117.7428 66.0301 31.4309 177.8371 951 A 3.9980 8.2080 120.6387 55.3962 18.1641 179.8332 952 S 4.1402 8.2736 113.5510 61.6838 62.7650 177.1007 953 T 3.8425 8.0105 118.7822 66.2555 68.3032 177.0066 954 K 3.8657 8.0771 120.3476 59.5625 32.0706 179.3543 955 S 4.1506 7.9227 115.2746 61.6930 62.8099 177.0663 956 G 3.4766 8.0354 108.2015 47.8429 0.0000 175.2542 957 Q 3.4504 7.7918 122.5334 58.6904 29.0699 178.4092 958 E 4.2873 7.8990 119.6867 58.7916 29.5740 178.9435 959 Q 3.9683 8.0032 118.3607 58.9525 28.8657 178.7307 960 I 3.8669 7.6227 119.5917 64.3133 37.2099 178.0871 961 E 4.1388 7.9740 118.9439 58.6769 29.0433 176.8123 962 D 4.6374 7.7053 122.9862 54.4739 41.1630 175.9327 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 773 D 8.36 4.57 0.00 2.68 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 0.00 774 V 8.11 3.50 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 0.72 0.00 0.00 0.89 0.00 0.00 775 R 8.70 4.04 0.00 2.01 1.84 0.00 3.35 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 776 Q 8.85 3.96 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 777 E 8.16 4.17 0.00 1.96 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 2.31 2.41 0.00 778 E 8.14 4.71 0.00 2.07 1.86 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 2.20 2.27 0.00 779 L 7.95 4.05 0.00 1.66 1.68 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 780 G 8.03 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 0.00 0.00 0.00 781 A 7.80 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 782 V 7.82 3.50 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 1.02 0.00 0.00 0.87 0.00 0.00 783 V 7.66 3.44 1.74 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 0.10 0.00 0.00 0.68 0.00 0.00 784 D 7.60 4.40 0.00 2.76 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 0.00 785 K 8.01 4.09 0.00 1.86 1.95 0.00 1.49 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.47 7.81 786 E 8.06 4.16 0.00 2.10 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 *788 A 8.03 4.16 1.30 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 0.00 0.00 789 A 8.09 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 790 T 8.15 3.85 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 1.21 0.00 0.00 791 S 8.01 4.12 0.00 3.99 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 0.00 792 A 8.25 4.01 1.38 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 0.00 0.00 793 A 8.16 3.95 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 0.00 794 I 7.94 3.69 2.03 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 1.53 0.81 0.94 0.00 0.00 795 E 8.33 3.99 0.00 1.99 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 2.49 0.00 796 D 8.42 4.37 0.00 2.95 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 0.00 797 A 8.07 3.97 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 0.00 798 V 7.89 3.53 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 1.03 0.00 0.00 0.99 0.00 0.00 799 R 8.04 3.91 0.00 2.06 1.96 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 800 R 8.00 3.91 0.00 1.84 1.96 0.00 3.32 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 801 I 7.84 3.89 1.93 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 1.53 0.80 0.94 0.00 0.00 802 E 8.12 4.32 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 803 D 8.11 4.37 0.00 2.92 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 *806 N 8.31 4.59 0.00 2.78 2.99 0.00 0.00 7.10 7.05 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 0.00 807 Q 8.20 4.05 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 808 A 7.97 4.00 1.30 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 0.00 0.00 809 R 7.42 3.87 0.00 1.75 1.97 0.00 3.30 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 810 H 7.73 4.85 0.00 3.13 3.31 0.00 5.61 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 811 A 7.44 4.66 1.25 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 0.00 0.00 0.00 812 S 7.67 4.57 0.00 3.94 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 0.00 813 S 8.04 4.47 0.00 3.98 4.01 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 0.00 814 G 8.65 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 815 V 8.50 3.55 2.08 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 0.00 891 D 8.25 4.26 0.00 2.88 2.88 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 0.00 892 K 8.32 3.97 0.00 1.74 1.80 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.55 7.81 893 V 7.41 3.57 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 -0.23 0.00 0.00 894 V 7.96 3.72 2.16 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 0.85 0.00 0.00 0.99 0.00 0.00 895 L 7.91 4.61 0.00 1.68 1.50 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 896 H 7.61 4.83 0.00 3.21 2.77 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 897 T 8.59 4.52 4.22 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 1.21 0.00 0.00 898 G 8.07 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 899 K 8.06 4.40 0.00 1.81 1.98 0.00 1.68 0.00 0.00 1.98 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.43 7.81 900 Y 8.40 4.09 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 901 E 8.28 4.07 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 2.43 2.48 0.00 902 E 8.08 3.99 0.00 2.03 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 0.00 2.28 2.34 0.00 903 L 7.87 3.98 0.00 1.81 1.88 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 904 I 7.89 3.75 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 1.43 1.11 0.96 0.00 0.00 905 V 7.97 3.70 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 1.15 0.00 0.00 1.00 0.00 0.00 906 C 8.36 4.20 0.00 3.20 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 0.00 907 S 8.24 4.19 0.00 3.93 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 0.00 908 H 8.13 4.27 0.00 3.40 3.34 0.00 5.62 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 0.00 909 E 8.63 4.06 0.00 2.02 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 2.36 2.58 0.00 910 I 8.04 3.77 1.99 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 1.61 1.01 0.00 0.00 911 A 8.17 4.07 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 0.00 912 A 7.94 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 0.00 913 S 8.17 4.10 0.00 4.09 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 0.00 914 T 8.29 3.93 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 1.22 0.00 0.00 915 A 8.21 4.09 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 0.00 916 Q 8.15 3.91 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 917 L 7.81 3.94 0.00 1.80 1.80 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 918 V 7.95 3.57 2.28 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 1.07 0.00 0.00 0.98 0.00 0.00 919 A 8.23 3.98 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 0.00 920 A 8.10 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 921 S 8.06 4.42 0.00 4.09 4.06 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 0.00 922 K 8.68 4.10 0.00 2.04 2.01 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 923 V 7.28 3.49 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 0.87 0.00 0.00 1.17 0.00 0.00 924 K 7.88 4.15 0.00 1.17 1.35 0.00 1.48 0.00 0.00 1.30 0.00 0.00 2.37 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.37 0.21 7.81 925 A 8.01 4.37 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 926 N 7.91 4.99 0.00 2.64 2.70 0.00 0.00 7.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 927 K 8.16 3.83 0.00 1.89 1.84 0.00 1.47 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.03 1.15 7.81 928 H 7.65 5.00 0.00 3.13 3.11 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 929 S 8.57 4.57 0.00 4.00 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 0.00 930 P 0.00 4.43 0.00 2.24 2.16 0.00 3.95 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 2.03 2.17 0.00 931 H 8.43 3.80 0.00 3.38 3.48 0.00 5.81 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 932 L 7.95 4.09 0.00 1.76 1.67 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 933 S 8.03 4.17 0.00 4.12 4.12 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 0.00 934 R 7.85 4.27 0.00 1.92 2.15 0.00 3.21 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 935 L 7.73 3.98 0.00 1.77 1.86 0.94 0.84 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 0.00 936 Q 8.20 4.07 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 937 E 8.30 4.07 0.00 2.20 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 2.34 2.57 0.00 938 C 8.14 4.18 0.00 3.21 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 0.00 939 S 8.20 4.11 0.00 3.92 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 0.00 940 R 7.95 3.93 0.00 2.11 1.97 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 941 T 8.00 3.88 4.40 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 1.22 0.00 0.00 942 V 8.12 3.58 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 1.11 0.00 0.00 0.99 0.00 0.00 943 N 8.44 4.34 0.00 2.91 2.87 0.00 0.00 7.09 8.48 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 0.00 944 E 8.32 3.97 0.00 2.29 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 2.36 0.00 945 R 8.47 3.96 0.00 1.92 1.98 0.00 3.29 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 946 A 8.34 4.00 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 0.00 947 A 8.01 3.97 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 0.00 948 N 8.24 4.23 0.00 2.78 3.00 0.00 0.00 6.81 7.11 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 0.00 949 V 7.77 4.13 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 0.84 0.00 0.00 0.98 0.00 0.00 950 V 7.83 3.55 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 0.97 0.00 0.00 0.79 0.00 0.00 951 A 8.21 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 952 S 8.27 4.14 0.00 3.88 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 0.00 953 T 8.01 3.84 4.40 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 1.39 0.00 0.00 954 K 8.08 3.87 0.00 1.92 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 955 S 7.92 4.15 0.00 3.84 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 0.00 956 G 8.04 3.48 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 0.00 0.00 0.00 0.00 957 Q 7.79 3.45 0.00 1.67 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 958 E 7.90 4.29 0.00 2.24 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 0.00 2.48 2.20 0.00 959 Q 8.00 3.97 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 960 I 7.62 3.87 2.00 0.00 0.00 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 1.54 0.58 0.97 0.00 0.00 961 E 7.97 4.14 0.00 2.12 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 2.35 2.52 0.00 962 D 7.71 4.64 0.00 2.84 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.