NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 731 D 4.5475 8.2227 120.1879 54.1111 43.3271 177.0808 732 K 3.6940 7.7832 118.9323 58.4172 32.4308 173.5801 733 V 3.7504 8.0888 114.0332 63.9950 31.4906 177.7666 734 A 3.9743 7.8421 120.5540 54.8565 18.2446 179.7372 735 V 3.4391 7.2253 116.5230 65.8308 31.4951 177.8276 736 K 3.7256 8.2500 119.9411 59.9510 31.8336 178.1151 737 N 4.2653 8.4617 116.4368 56.2545 38.3942 177.3537 738 A 3.7916 7.4263 120.7088 55.0522 18.3577 179.2962 739 I 2.8946 7.6746 118.7954 64.5234 37.3141 178.4123 740 R 3.8789 7.5464 118.5083 59.3997 30.0941 178.0395 741 A 3.9404 8.0243 120.4942 55.5465 18.3671 179.6266 742 A 3.9274 8.4876 118.9835 55.1580 18.3865 179.5068 743 Y 4.6020 7.5920 115.6619 61.4246 37.8778 178.5585 744 R 4.3191 8.1203 118.7405 59.0190 29.9367 178.7238 745 Q 3.8289 7.7407 118.5517 59.2194 29.1842 178.2415 746 V 2.8645 7.3431 117.9744 65.5476 31.8339 177.4914 747 F 5.0331 8.1124 115.4628 57.1652 38.9657 176.8773 748 E 4.6109 8.3056 115.7663 56.3454 27.1452 173.4740 749 R 4.6967 7.6508 116.0972 54.9865 33.4499 173.7398 750 D 4.7749 8.4901 121.5167 53.2960 41.6000 176.7277 751 L 4.1140 8.1088 124.4041 53.9288 42.7352 176.8088 752 E 4.2052 8.3593 121.5867 55.5364 30.5040 176.0578 753 P 4.2890 0.0000 0.0000 66.3222 31.5143 178.5771 754 Y 4.0350 8.2149 115.6197 60.1033 37.8096 178.1194 755 I 3.1823 6.8960 121.6484 63.7205 37.0400 178.4006 756 I 3.8926 7.3712 120.3382 64.5524 36.9562 177.5561 757 N 4.7167 8.8486 118.8426 56.0588 38.6042 176.7301 758 S 4.1956 7.5338 114.3990 60.8879 63.4530 174.9290 759 E 4.2763 7.1407 118.5195 54.5186 31.1816 177.1327 760 F 4.9735 8.1899 117.3159 57.3584 39.4503 177.2036 761 T 3.9529 7.9000 117.2033 66.6493 68.2212 175.9806 762 A 4.0263 7.9593 121.9227 55.3230 18.5903 179.3628 763 L 4.0896 8.0607 116.8610 58.0988 41.6458 179.5381 764 E 4.2661 8.6173 118.4037 59.6505 28.7623 179.5344 765 S 4.1757 7.9640 115.0548 61.5840 62.9106 176.8852 766 K 4.5233 8.3738 122.6538 58.9007 31.9239 178.9718 767 L 4.1065 8.4733 120.8189 58.3953 41.7344 179.2011 768 S 4.1131 8.3321 113.9266 61.7239 62.9347 175.9458 769 N 4.5895 9.2534 115.1025 52.7099 38.3983 174.4052 770 N 4.1947 7.8240 117.6540 55.0072 37.8891 174.4806 771 E 4.5617 8.7806 116.8488 56.1708 31.1465 176.1319 772 I 4.8337 7.3927 110.4350 58.2910 40.9357 174.5812 773 N 4.8489 8.6959 119.9726 51.4254 40.6721 175.9888 774 V 3.5594 8.1344 118.3092 66.0307 31.5852 177.4354 775 K 4.0836 8.3452 121.1588 59.0308 31.9965 178.3756 776 E 3.9454 9.1274 118.8018 59.4832 29.5632 179.1717 777 F 4.0755 8.3316 120.5792 61.4658 39.5121 177.2397 778 I 3.8710 8.7381 119.5727 64.0015 36.9570 177.6874 779 E 4.0235 8.1229 120.0561 58.3006 29.2805 178.6444 780 G 3.6065 7.7158 105.3443 47.3564 0.0000 175.6327 781 L 4.4382 7.7321 121.1502 57.9114 41.5383 179.7934 782 G 2.9635 7.7076 106.6175 48.0863 0.0000 174.2105 783 T 4.3188 7.4737 107.5902 61.2973 69.2880 175.1596 784 S 4.4780 7.9906 117.5067 58.4535 63.7953 174.2393 785 E 4.1925 9.4734 121.6640 59.0417 29.8187 178.4181 786 L 4.0865 8.9927 121.3128 58.3629 42.4113 178.8268 787 Y 4.7877 8.7591 117.6316 58.2624 37.1467 177.6898 *789 K 4.2118 8.1205 117.5780 56.0689 34.1119 178.0784 790 E 3.7652 8.7593 117.2731 58.8967 29.3891 178.3742 791 F 4.9903 8.3750 114.8624 57.0977 40.4104 174.7152 792 Y 4.4679 8.0364 119.9596 59.2871 41.7703 175.7728 793 A 4.2529 7.6040 118.2673 54.9517 17.8334 176.4722 794 P 4.1102 0.0000 0.0000 64.0616 31.7150 177.8171 795 Y 4.4565 6.4706 119.5262 58.3038 38.5382 174.4865 796 P 4.7639 0.0000 0.0000 61.0446 34.8576 175.7545 797 N 4.2511 8.4887 116.0746 56.9484 36.7195 177.1703 798 T 3.9115 7.7770 117.2685 66.0361 68.4745 176.6283 799 K 4.2012 7.7664 121.5030 58.2917 32.4057 178.5474 800 V 3.9198 8.7859 118.6652 66.2879 31.7755 177.7988 801 I 3.9683 7.8055 119.2910 64.2429 36.3583 179.0929 802 E 4.0149 8.4323 117.2478 56.9134 29.1474 179.1793 *804 G 4.1308 8.0869 110.4584 45.9561 0.0000 175.9667 805 T 3.9119 8.1753 111.4585 64.5822 68.6359 176.7018 806 K 4.1121 7.8113 121.8444 59.4831 32.2467 178.9804 807 H 3.9193 7.7131 116.2690 58.4262 29.0191 176.8618 808 F 4.6057 8.0678 116.6635 57.7415 39.4580 176.4826 809 L 4.9244 8.1681 116.2980 53.2465 43.7670 176.2903 810 G 4.4561 8.2772 106.6650 44.6372 0.0000 172.8854 811 R 4.6017 7.4467 110.6074 54.8681 31.8062 174.2044 812 A 4.3490 8.3838 122.5612 50.8211 19.3458 175.6813 813 P 4.6998 0.0000 0.0000 62.5004 32.0731 177.1204 814 L 4.1555 9.9176 124.5642 57.3207 41.9135 177.7064 815 N 4.5302 7.8788 113.1353 50.8402 40.5402 174.6108 816 Q 3.9285 8.5182 121.7546 59.9933 28.6232 178.2915 817 K 3.8473 8.2500 119.1744 60.0042 31.9151 177.5330 818 E 4.4130 8.5171 119.7929 58.8228 28.9631 179.4462 819 I 3.9906 7.8056 119.4415 64.6456 37.2573 178.2634 820 Q 4.2957 8.8272 119.5993 59.2214 28.4760 179.1044 821 Q 3.9522 8.9772 119.9556 59.2394 28.7877 178.7391 822 Y 4.3165 8.5396 118.5244 60.9013 37.8960 177.3117 823 N 4.1552 9.4097 118.5605 57.0479 38.8443 176.5291 824 Q 3.9512 8.1229 120.5699 59.0954 28.9617 178.2588 825 I 3.7602 7.6494 120.6827 64.6952 37.1623 177.7904 826 L 4.3691 8.3304 120.0278 57.3957 41.2998 179.2227 827 A 3.8665 8.1954 121.0275 54.7394 18.3381 178.7249 828 S 4.6408 7.6605 110.9740 58.9514 64.7373 174.8704 829 Q 4.4067 8.5348 117.4807 54.5489 30.8310 175.8208 830 G 3.7934 8.7844 106.1487 44.3482 0.0000 172.7337 831 L 4.0809 8.1984 118.1426 57.9739 41.8321 179.5697 832 K 3.7973 8.0310 117.1465 60.3307 32.1906 177.8715 833 A 3.9087 8.3836 119.2421 55.1474 17.8069 178.9584 834 F 4.3220 8.1240 118.6418 61.5298 39.8314 177.6109 835 I 3.0719 7.5341 117.8454 64.2938 37.0821 178.4215 836 G 3.5992 8.3463 106.4470 47.3459 0.0000 175.7312 837 A 4.2585 7.5005 118.2220 53.1949 18.1453 178.2829 *839 V 2.7069 7.6887 121.1403 63.3748 33.0684 175.9111 840 N 4.8376 8.1425 115.1116 52.9013 39.5621 175.5199 841 G 4.1326 7.2888 114.7919 45.5131 0.0000 176.2452 *843 E 4.1207 8.7984 121.9602 56.2112 31.5881 177.1504 844 Y 3.6945 8.0016 118.6260 60.6382 39.0873 177.3174 845 L 4.1852 8.3009 121.4131 58.3457 41.8936 178.9694 846 Q 3.9945 7.8101 116.6469 58.9043 28.9361 178.1455 847 T 3.7274 7.6419 116.0533 65.9694 68.5169 175.5607 848 F 4.7867 7.8517 117.3517 56.6148 41.8666 177.0154 849 G 4.4222 7.9227 106.7013 45.1102 0.0000 175.5966 850 E 4.7523 8.8337 121.1360 55.5926 31.6144 176.3161 851 D 4.9585 8.2811 116.1436 53.9139 41.6105 175.3923 852 T 4.5799 7.6559 115.5252 61.5225 71.0074 173.8742 853 V 3.7767 8.0620 125.3658 61.1440 32.4379 174.1102 854 P 2.9700 0.0000 0.0000 62.5184 31.9752 174.7004 855 Y 4.6641 6.3268 116.7938 55.1860 40.9105 174.0222 856 R 4.4406 8.6458 121.0808 56.5971 30.4824 176.4717 857 R 4.4455 8.8739 124.1012 56.4587 30.2622 176.0741 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 731 D 8.22 4.55 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 0.00 732 K 7.78 3.69 0.00 1.93 1.76 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.58 7.81 733 V 8.09 3.75 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 0.76 0.00 0.00 0.91 0.00 0.00 734 A 7.84 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 735 V 7.23 3.44 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 0.85 0.00 0.00 0.95 0.00 0.00 736 K 8.25 3.73 0.00 1.99 1.92 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.65 7.81 737 N 8.46 4.27 0.00 2.85 2.80 0.00 0.00 6.98 6.79 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 0.00 738 A 7.43 3.79 1.16 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 0.00 0.00 739 I 7.67 2.89 1.82 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.46 0.78 0.00 0.00 740 R 7.55 3.88 0.00 1.86 2.03 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 741 A 8.02 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 742 A 8.49 3.93 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 0.00 743 Y 7.59 4.60 0.00 3.16 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 0.00 744 R 8.12 4.32 0.00 2.05 2.01 0.00 3.16 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 745 Q 7.74 3.83 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.97 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 746 V 7.34 2.86 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 -0.10 0.00 0.00 0.51 0.00 0.00 747 F 8.11 5.03 0.00 3.42 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 0.00 748 E 8.31 4.61 0.00 2.41 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 0.00 2.29 2.34 0.00 749 R 7.65 4.70 0.00 1.86 1.86 0.00 3.27 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 750 D 8.49 4.77 0.00 2.73 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 0.00 751 L 8.11 4.11 0.00 1.11 1.21 -0.17 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 752 E 8.36 4.21 0.00 2.06 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 0.00 2.56 2.46 0.00 753 P 0.00 4.29 0.00 2.24 2.20 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 754 Y 8.21 4.04 0.00 3.18 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 0.00 755 I 6.90 3.18 1.57 0.00 0.00 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 0.54 -0.36 0.61 0.00 0.00 756 I 7.37 3.89 2.13 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.87 1.18 0.00 0.00 757 N 8.85 4.72 0.00 2.83 3.09 0.00 0.00 7.18 7.94 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 0.00 758 S 7.53 4.20 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 759 E 7.14 4.28 0.00 1.16 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 1.93 1.79 0.00 760 F 8.19 4.97 0.00 3.13 3.20 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 0.00 761 T 7.90 3.95 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 762 A 7.96 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 763 L 8.06 4.09 0.00 1.78 1.78 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 764 E 8.62 4.27 0.00 2.22 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 2.82 3.05 0.00 765 S 7.96 4.18 0.00 4.03 3.96 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 0.00 0.00 0.00 766 K 8.37 4.52 0.00 2.01 1.92 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.65 7.81 767 L 8.47 4.11 0.00 1.92 1.87 0.81 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 768 S 8.33 4.11 0.00 4.03 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 0.00 769 N 9.25 4.59 0.00 2.91 2.86 0.00 0.00 7.05 7.88 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 0.00 770 N 7.82 4.19 0.00 2.87 2.87 0.00 0.00 7.00 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 0.00 771 E 8.78 4.56 0.00 2.04 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 2.26 2.33 0.00 772 I 7.39 4.83 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.96 0.00 0.00 773 N 8.70 4.85 0.00 3.38 3.04 0.00 0.00 6.94 7.01 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 0.00 774 V 8.13 3.56 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 1.04 0.00 0.00 0.91 0.00 0.00 775 K 8.35 4.08 0.00 2.03 2.09 0.00 1.98 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.37 7.81 776 E 9.13 3.95 0.00 2.29 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 2.54 0.00 777 F 8.33 4.08 0.00 3.10 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 0.00 778 I 8.74 3.87 2.22 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.16 1.13 0.00 0.00 779 E 8.12 4.02 0.00 2.15 1.95 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 2.12 2.07 0.00 780 G 7.72 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 781 L 7.73 4.44 0.00 1.86 1.52 0.51 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 782 G 7.71 2.96 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 0.00 0.00 0.00 0.00 0.00 0.00 783 T 7.47 4.32 4.21 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 1.18 0.00 0.00 784 S 7.99 4.48 0.00 4.44 4.64 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 0.00 785 E 9.47 4.19 0.00 2.11 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 2.44 2.34 0.00 786 L 8.99 4.09 0.00 1.80 1.90 0.78 0.39 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 0.00 787 Y 8.76 4.79 0.00 3.63 3.32 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 *789 K 8.12 4.21 0.00 2.09 1.81 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.63 7.81 790 E 8.76 3.77 0.00 1.93 1.54 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 2.48 2.53 0.00 791 F 8.37 4.99 0.00 2.20 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 0.00 792 Y 8.04 4.47 0.00 2.99 2.87 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 0.00 793 A 7.60 4.25 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 0.00 794 P 0.00 4.11 0.00 0.63 1.50 0.00 3.26 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 1.32 1.76 0.00 795 Y 6.47 4.46 0.00 2.98 2.86 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 0.00 0.00 0.00 796 P 0.00 4.76 0.00 2.23 2.16 0.00 3.85 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 797 N 8.49 4.25 0.00 2.88 3.11 0.00 0.00 5.94 7.22 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 0.00 798 T 7.78 3.91 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 1.25 0.00 0.00 799 K 7.77 4.20 0.00 1.70 1.88 0.00 1.52 0.00 0.00 1.10 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.05 1.05 7.81 800 V 8.79 3.92 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.68 0.00 0.00 801 I 7.81 3.97 1.99 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.52 0.89 0.00 0.00 802 E 8.43 4.01 0.00 2.16 1.95 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 2.35 2.58 0.00 *804 G 8.09 4.13 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 0.00 805 T 8.18 3.91 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 806 K 7.81 4.11 0.00 1.93 2.17 0.00 1.22 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.12 1.20 7.81 807 H 7.71 3.92 0.00 2.75 2.15 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 808 F 8.07 4.61 0.00 2.90 3.04 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 0.00 809 L 8.17 4.92 0.00 1.92 1.79 1.16 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 810 G 8.28 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 811 R 7.45 4.60 0.00 1.92 1.92 0.00 3.09 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 812 A 8.38 4.35 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 0.00 813 P 0.00 4.70 0.00 2.13 2.15 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 814 L 9.92 4.16 0.00 1.58 1.76 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 815 N 7.88 4.53 0.00 2.93 2.87 0.00 0.00 5.77 7.32 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 0.00 816 Q 8.52 3.93 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 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0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.05 1.08 0.00 0.00 826 L 8.33 4.37 0.00 1.91 1.78 0.72 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 827 A 8.20 3.87 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 0.00 828 S 7.66 4.64 0.00 3.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 829 Q 8.53 4.41 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.39 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 830 G 8.78 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 0.00 831 L 8.20 4.08 0.00 1.59 1.61 1.11 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 832 K 8.03 3.80 0.00 1.81 1.85 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.54 7.81 833 A 8.38 3.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 834 F 8.12 4.32 0.00 2.93 3.40 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 0.00 835 I 7.53 3.07 1.69 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.11 0.00 0.00 836 G 8.35 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 837 A 7.50 4.26 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *839 V 7.69 2.71 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 0.33 0.00 0.00 0.47 0.00 0.00 840 N 8.14 4.84 0.00 2.85 2.76 0.00 0.00 6.94 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 0.00 841 G 7.29 4.13 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 0.00 *843 E 8.80 4.12 0.00 2.04 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 2.18 2.23 0.00 844 Y 8.00 3.69 0.00 3.11 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 0.00 845 L 8.30 4.19 0.00 1.98 1.70 0.99 0.65 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 0.00 846 Q 7.81 3.99 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 847 T 7.64 3.73 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 848 F 7.85 4.79 0.00 2.19 2.62 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 0.00 849 G 7.92 4.42 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 0.00 850 E 8.83 4.75 0.00 2.03 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 0.00 2.35 2.37 0.00 851 D 8.28 4.96 0.00 2.63 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 0.00 852 T 7.66 4.58 4.41 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 1.29 0.00 0.00 853 V 8.06 3.78 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 0.64 0.00 0.00 0.82 0.00 0.00 854 P 0.00 2.97 0.00 1.87 1.32 0.00 3.47 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.73 0.00 855 Y 6.33 4.66 0.00 2.95 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 0.00 856 R 8.65 4.44 0.00 1.83 1.95 0.00 3.24 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 857 R 8.87 4.45 0.00 1.93 1.96 0.00 3.61 0.00 0.00 3.62 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.