NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *739 E 4.3630 8.4293 116.7551 54.7067 31.5244 174.9016 740 P 4.3479 0.0000 0.0000 63.6401 31.8619 175.7884 *741 K 4.0916 8.6345 121.8860 56.7201 32.7525 179.8925 742 V 4.4758 7.4291 118.5038 58.5846 33.0983 173.7350 743 P 4.3875 0.0000 0.0000 62.0026 31.8598 176.4227 744 K 4.0394 8.4913 121.2915 56.1241 32.5902 177.0665 745 A 3.8636 8.3922 126.3857 51.0905 18.9969 175.6351 746 P 4.3766 0.0000 0.0000 62.8219 32.0285 176.0015 747 R 4.6178 7.9638 118.1409 53.3076 33.9518 173.7087 748 P 2.9700 0.0000 0.0000 61.5439 31.5619 176.0483 749 P 4.1753 0.0000 0.0000 65.0224 31.3891 176.8018 750 K 4.3906 7.6332 115.7634 56.7274 32.9552 176.1095 751 Q 4.2013 7.4112 119.8222 54.9861 29.8108 173.7227 752 P 4.1619 0.0000 0.0000 63.4228 31.8601 176.6187 753 N 4.6148 8.2592 121.3539 52.2553 37.4409 173.4475 754 V 4.1725 7.4986 114.3074 59.9143 33.3411 175.7595 755 Q 4.5514 9.0323 123.3734 53.5615 30.6557 176.5871 756 D 4.1827 8.2938 120.5217 56.3940 39.3967 178.1264 757 F 3.5406 7.0064 111.7032 57.5486 38.1068 175.4954 758 Q 4.2508 7.4890 120.5498 55.5941 29.4283 175.2140 759 F 4.0709 7.1013 116.4663 58.5522 37.0135 175.5444 760 F 4.3870 8.0378 117.0023 56.3256 40.2796 174.4544 761 P 4.5448 0.0000 0.0000 62.0602 31.9252 176.1277 762 P 4.6137 0.0000 0.0000 65.7971 31.9007 178.6074 763 R 3.9551 8.2335 117.6566 59.2930 29.6905 177.9906 764 L 3.8149 7.9821 120.1764 58.2843 42.0226 179.1238 765 F 4.0073 7.9682 116.9833 60.0820 38.3314 177.3413 766 E 4.0472 8.1189 119.0216 59.0827 29.5263 178.6100 767 L 4.0342 7.7972 119.0395 57.6572 41.6568 179.3583 768 L 3.9842 8.1599 119.2587 57.6018 41.3704 179.1876 769 E 3.9622 8.2821 119.5521 59.1032 29.5631 178.9768 770 K 4.0156 7.8278 118.1206 59.5385 32.0206 179.2059 771 E 4.1145 8.0374 118.4445 59.3016 29.2806 179.4049 772 I 3.7580 7.9948 120.1025 64.4504 37.2099 178.3963 773 L 4.0493 8.2907 120.0834 58.0882 41.4805 179.0570 774 Y 4.1294 8.3147 119.4465 60.6447 38.7375 177.2406 775 Y 3.9727 8.4816 120.8931 60.9115 38.9411 178.3778 776 R 3.7739 8.3121 119.0866 58.9761 30.1447 178.9834 777 K 3.8364 8.0876 119.3333 59.9410 32.0282 178.8913 778 T 3.6389 7.6238 115.0939 65.8569 68.3464 175.4783 779 I 4.1359 7.2099 111.9221 59.9076 38.0174 176.0223 780 G 3.7781 7.6488 108.2213 46.5783 0.0000 173.3655 781 Y 4.1864 7.8601 120.7235 57.0122 39.2416 175.2234 782 K 4.3489 7.5604 125.8441 53.9726 34.3671 176.0487 783 V 3.4238 8.5584 125.2891 61.8226 31.7287 174.1112 784 P 4.3456 0.0000 0.0000 62.3015 32.0662 175.7580 785 R 4.0725 8.2619 120.6787 55.6547 30.1307 176.2189 786 N 4.5650 8.6505 127.6369 52.2298 37.4611 173.4192 787 P 4.2848 0.0000 0.0000 64.2592 31.6601 175.7351 *788 D 5.1763 8.2812 115.4552 52.6167 39.6073 181.5936 789 L 4.5253 7.3555 119.5703 53.2178 45.6948 172.0240 *790 P 3.9918 0.0000 0.0000 62.7669 28.5175 179.3379 *791 N 4.3970 8.6024 122.8631 52.9371 34.5523 173.4687 792 S 4.3362 8.0435 116.2993 61.5207 63.1889 175.0188 793 A 3.9483 7.8793 123.8521 55.1028 18.3924 178.8554 794 Q 4.0256 7.9696 117.5910 59.3099 29.2675 178.3512 795 V 3.5600 7.4390 118.1345 65.8984 31.4550 177.6960 796 Q 3.7906 8.1721 119.3125 59.1204 28.9500 178.1544 *798 K 4.2399 7.8527 117.8923 56.5455 34.4523 177.9687 799 E 3.9312 8.5395 118.4807 59.5229 29.2354 179.2298 800 E 3.9814 8.2593 118.5117 59.5937 29.5819 179.3352 801 Q 3.9812 8.3749 119.7253 58.9027 28.9467 178.0286 802 L 4.0190 7.9752 121.7009 57.9830 41.9052 178.9509 803 K 3.9543 7.7016 117.2233 59.4856 32.2284 179.1803 804 I 3.9498 7.5510 119.8294 64.6294 36.9634 178.1591 805 D 4.4336 8.4124 118.5678 56.9331 40.6630 177.7971 806 E 4.4431 8.1720 116.4234 55.1127 30.1319 176.3044 807 A 4.2431 7.6565 125.5729 52.9502 19.0870 177.9773 808 E 4.6577 8.3246 116.0573 53.1530 33.8329 172.8719 809 P 4.0859 0.0000 0.0000 61.8302 32.0714 176.2726 810 L 4.2485 7.9428 119.9181 54.5733 42.2126 177.9865 811 N 4.6923 8.9932 121.3456 52.0412 40.1389 175.9187 812 D 4.3027 8.4565 118.9978 57.5886 40.7148 178.6974 813 E 3.9326 8.1351 118.4475 59.6979 29.5201 179.2711 814 E 3.9476 9.5580 119.5269 59.2890 29.3321 179.4572 815 L 4.0667 8.2518 121.8284 58.1369 41.6584 179.9575 *816 E 4.0492 8.1319 118.5943 60.7514 29.6558 181.9664 817 E 4.1001 8.4171 120.5570 58.9735 29.7468 178.7802 818 K 3.8748 8.4685 122.4965 60.3048 32.0470 179.1442 819 E 3.9817 7.6820 116.9744 60.9022 29.7441 180.6165 820 K 4.2932 7.9231 119.5300 59.5708 32.3979 179.0391 821 L 4.0265 8.1878 119.4566 57.6870 41.2979 178.9918 822 L 4.1906 7.9338 117.2123 56.2198 41.6145 178.0268 823 T 4.6173 7.9282 108.6330 61.5508 69.6421 174.3395 824 Q 4.3810 8.0200 120.6468 55.7817 28.8356 174.9163 825 G 3.0479 7.3039 106.2197 43.1701 0.0000 174.3951 826 F 4.3535 8.5679 119.0275 55.9290 37.1632 176.9465 827 T 4.0710 7.7712 112.9735 64.5918 69.0640 175.7659 828 N 4.7755 8.3380 116.6225 52.8049 38.7607 174.1785 829 W 4.6146 8.3127 120.0400 55.2266 30.4752 176.2200 830 N 5.1930 8.9909 121.9010 51.0367 40.4906 175.8309 831 K 3.6436 8.6730 118.8770 59.6414 31.8803 179.4902 832 R 3.8667 7.9890 118.4969 59.2156 29.9877 178.0393 833 D 4.1408 8.8015 119.2051 57.2674 40.7564 178.4940 834 F 4.1192 8.0803 120.8749 61.4597 39.3294 176.8505 835 N 4.1012 8.2662 116.0797 56.4515 38.2832 177.4867 836 Q 3.9790 8.3193 119.6845 58.6323 28.7447 178.5101 837 F 4.1302 8.4673 122.0484 61.3703 39.4937 177.1066 838 I 3.2351 7.4531 119.3222 64.3851 36.8167 178.6883 839 K 3.9436 7.9730 118.8346 59.2954 31.7967 179.3694 840 A 4.1589 8.1662 121.3111 55.0665 18.2846 179.4653 841 N 4.3140 8.0249 115.2761 56.3930 38.5540 177.2740 842 E 3.9550 7.9886 120.3828 59.0798 29.5063 178.7924 843 K 3.8308 8.1125 119.1066 58.1514 32.3792 177.2498 844 W 4.7461 8.8890 115.5997 55.6331 31.2339 176.4456 845 G 4.1303 8.5205 105.6972 45.4814 0.0000 175.0268 846 R 4.6865 8.4917 116.1754 57.6792 29.7491 177.4821 847 D 4.5558 7.9057 116.9744 55.6784 42.0838 177.1640 848 D 4.6567 7.5317 120.0406 52.7951 37.6979 176.1330 849 I 3.7778 7.6536 124.5544 64.3299 37.6153 177.6021 850 E 3.8737 8.0513 118.7545 59.6774 29.4354 179.0567 851 N 3.8314 7.7496 116.3186 55.7051 38.2393 177.7420 852 I 3.6676 7.6746 121.1825 64.2561 36.9771 178.3109 853 A 4.0239 7.9539 120.6992 55.1180 18.2814 179.2816 854 R 3.9113 7.4551 115.8884 59.5678 30.2453 178.1829 855 E 4.3583 7.9618 116.2634 57.0738 30.7029 178.0910 856 V 4.1823 7.2271 119.7282 60.5297 30.1512 175.4477 857 E 3.7920 8.3937 123.8587 58.9348 29.6899 178.9967 858 G 3.9544 7.7395 104.0549 44.8685 0.0000 173.1111 859 K 4.6351 7.7784 118.2840 53.6334 35.8916 177.1723 860 T 4.3441 9.8187 115.0206 60.3564 71.3950 174.3243 861 P 4.3299 0.0000 0.0000 65.6373 31.3211 178.8761 862 E 4.0481 8.1649 117.0458 59.5997 29.5158 179.1152 863 E 4.2481 8.1211 118.7614 59.3952 29.5168 179.6203 864 V 4.0231 8.0303 118.5505 66.0475 31.5259 178.2305 865 I 3.9181 8.1897 122.1594 65.0518 37.1342 178.8496 866 E 4.0953 8.2163 118.7020 61.3093 29.5636 180.4271 867 Y 3.2525 8.1490 120.7153 60.1888 38.7621 177.6568 868 S 4.1438 8.6057 114.2252 61.5796 62.2546 176.0358 869 A 4.1232 8.1464 122.5884 54.9981 18.2830 179.4245 870 V 3.4981 7.0428 115.4240 65.4421 31.6614 177.7681 871 F 3.2874 7.5924 121.2069 60.9008 39.0702 176.9271 872 W 4.3318 8.0324 119.8643 58.9595 29.2719 178.0050 873 E 4.2854 8.0164 115.0912 57.8256 29.7499 183.3002 874 R 4.6619 6.8801 116.1987 55.3612 29.9876 176.1225 875 C 4.2837 7.6876 113.9442 60.7386 29.6051 174.7767 876 N 4.4919 7.7879 117.6000 55.0970 37.1706 175.7369 877 E 4.1961 7.9081 117.8298 57.8486 29.7347 177.0514 878 L 4.3198 7.7876 121.9295 54.2257 41.8453 177.7508 *879 Q 3.8723 8.6016 123.1923 58.7862 28.5464 177.7910 880 D 5.1373 7.7112 115.7913 52.6562 41.0463 181.2755 881 I 3.8479 7.6401 116.4421 64.9056 37.5154 176.5535 882 E 4.3303 8.3125 120.3092 59.0321 29.3127 179.1648 883 K 3.9127 8.0596 118.5214 59.9463 32.4705 178.5232 884 T 3.9181 8.0688 115.8760 67.2275 68.4360 176.5374 885 M 4.2571 9.2732 121.2528 58.1640 32.0560 178.7007 886 A 4.1104 8.5372 123.8353 55.8872 18.5907 180.3260 887 Q 4.0106 8.1533 119.1946 60.4386 28.1176 180.7449 888 I 4.0348 7.9111 124.1255 64.9294 37.3731 179.1231 889 E 4.0550 8.8095 119.2576 60.6013 29.3919 180.8361 890 R 4.3990 7.9137 117.3792 59.5078 30.2880 178.6964 891 G 4.0732 8.0292 106.9830 47.4400 0.0000 175.5074 892 E 4.1267 8.5418 120.3369 58.1454 29.1712 179.1960 893 A 4.1300 7.3589 122.0089 55.6384 18.8811 180.1644 *894 R 4.0483 7.9542 118.0050 61.4586 29.4590 180.6436 895 I 3.9806 7.7326 121.2732 63.9008 37.2007 176.8253 *896 Q 3.7134 7.5333 121.3725 55.4453 28.4581 175.1485 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 *739 E 8.43 4.36 0.00 2.01 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 2.13 1.88 0.00 740 P 0.00 4.35 0.00 2.47 2.09 0.00 3.75 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 2.00 2.03 0.00 *741 K 8.63 4.09 0.00 1.80 1.77 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 742 V 7.43 4.48 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 0.95 0.00 0.00 0.98 0.00 0.00 743 P 0.00 4.39 0.00 2.13 2.06 0.00 3.74 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 2.07 2.14 0.00 744 K 8.49 4.04 0.00 1.71 1.74 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.51 7.81 745 A 8.39 3.86 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 746 P 0.00 4.38 0.00 2.29 1.98 0.00 2.21 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 747 R 7.96 4.62 0.00 1.66 1.69 0.00 3.18 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 748 P 0.00 2.97 0.00 1.88 1.56 0.00 3.37 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.76 0.00 749 P 0.00 4.18 0.00 1.97 2.07 0.00 3.45 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 750 K 7.63 4.39 0.00 1.81 1.84 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.35 7.81 751 Q 7.41 4.20 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.93 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 752 P 0.00 4.16 0.00 1.85 1.82 0.00 3.58 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 753 N 8.26 4.61 0.00 2.62 2.71 0.00 0.00 7.06 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 0.00 754 V 7.50 4.17 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 755 Q 9.03 4.55 0.00 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 756 D 8.29 4.18 0.00 2.65 2.76 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 0.00 0.00 0.00 0.00 757 F 7.01 3.54 0.00 2.19 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 0.00 0.00 0.00 758 Q 7.49 4.25 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.26 0.00 0.00 0.00 0.00 0.00 2.59 1.69 0.00 759 F 7.10 4.07 0.00 3.32 3.03 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 0.00 760 F 8.04 4.39 0.00 3.17 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 0.00 761 P 0.00 4.54 0.00 2.25 2.03 0.00 3.82 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 762 P 0.00 4.61 0.00 2.25 2.19 0.00 3.69 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 2.18 2.19 0.00 763 R 8.23 3.96 0.00 1.95 1.97 0.00 3.32 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 764 L 7.98 3.81 0.00 1.67 1.55 0.66 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 765 F 7.97 4.01 0.00 3.32 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 0.00 766 E 8.12 4.05 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 767 L 7.80 4.03 0.00 1.87 1.64 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 768 L 8.16 3.98 0.00 1.62 1.66 0.52 0.94 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 0.00 769 E 8.28 3.96 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 770 K 7.83 4.02 0.00 2.07 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.65 7.81 771 E 8.04 4.11 0.00 2.19 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 2.34 2.53 0.00 772 I 7.99 3.76 2.06 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 1.49 0.84 0.95 0.00 0.00 773 L 8.29 4.05 0.00 2.06 1.81 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 774 Y 8.31 4.13 0.00 3.20 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 0.00 775 Y 8.48 3.97 0.00 3.12 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 0.00 776 R 8.31 3.77 0.00 2.12 2.15 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.82 0.00 777 K 8.09 3.84 0.00 1.94 1.77 0.00 1.94 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.31 1.44 7.81 778 T 7.62 3.64 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 0.99 0.00 0.00 779 I 7.21 4.14 1.67 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.33 0.00 0.00 780 G 7.65 3.78 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 0.00 0.00 0.00 781 Y 7.86 4.19 0.00 2.84 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 0.00 782 K 7.56 4.35 0.00 1.51 1.49 0.00 1.72 0.00 0.00 1.50 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.22 7.81 783 V 8.56 3.42 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 0.77 0.00 0.00 0.94 0.00 0.00 784 P 0.00 4.35 0.00 2.22 2.01 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 785 R 8.26 4.07 0.00 1.94 1.87 0.00 3.22 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 786 N 8.65 4.56 0.00 2.73 2.75 0.00 0.00 7.10 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 787 P 0.00 4.28 0.00 2.13 1.97 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 *788 D 8.28 5.18 0.00 2.64 2.48 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 0.00 789 L 7.36 4.53 0.00 1.56 1.66 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *790 P 0.00 3.99 0.00 2.27 2.01 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 *791 N 8.60 4.40 0.00 2.82 2.93 0.00 0.00 6.59 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0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 867 Y 8.15 3.25 0.00 2.21 2.48 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 0.00 868 S 8.61 4.14 0.00 4.34 4.20 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 0.00 869 A 8.15 4.12 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 0.00 870 V 7.04 3.50 1.72 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 0.48 0.00 0.00 1.01 0.00 0.00 871 F 7.59 3.29 0.00 2.26 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 0.00 872 W 8.03 4.33 0.00 3.39 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 0.00 873 E 8.02 4.29 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 2.24 2.11 0.00 874 R 6.88 4.66 0.00 1.80 1.94 0.00 3.25 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.92 0.00 875 C 7.69 4.28 0.00 2.39 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 876 N 7.79 4.49 0.00 2.81 2.96 0.00 0.00 6.12 7.66 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 0.00 877 E 7.91 4.20 0.00 2.10 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 2.34 2.57 0.00 878 L 7.79 4.32 0.00 1.84 1.66 1.29 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 *879 Q 8.60 3.87 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.56 0.00 0.00 0.00 0.00 0.00 2.30 1.97 0.00 880 D 7.71 5.14 0.00 2.58 2.64 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 0.00 881 I 7.64 3.85 1.90 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 1.73 0.66 1.06 0.00 0.00 882 E 8.31 4.33 0.00 2.03 2.09 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 2.43 2.36 0.00 883 K 8.06 3.91 0.00 1.85 2.04 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.57 7.81 884 T 8.07 3.92 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 885 M 9.27 4.26 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.69 0.00 886 A 8.54 4.11 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 0.00 887 Q 8.15 4.01 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 888 I 7.91 4.03 2.18 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 1.12 0.00 0.00 889 E 8.81 4.06 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 890 R 7.91 4.40 0.00 2.06 2.12 0.00 3.06 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 891 G 8.03 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 892 E 8.54 4.13 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 2.67 0.00 893 A 7.36 4.13 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 *894 R 7.95 4.05 0.00 1.92 1.87 0.00 3.28 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 895 I 7.73 3.98 2.01 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 1.31 1.15 0.91 0.00 0.00 *896 Q 7.53 3.71 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.