NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 715 G 3.8400 8.3544 109.7376 44.1518 0.0000 174.9553 716 S 4.4488 8.4538 115.0406 55.7815 65.9995 171.7211 717 H 4.9685 9.2148 122.1283 55.6872 29.6523 173.0084 718 M 4.8631 7.4619 118.5051 54.0637 35.7074 176.2694 719 S 4.6018 8.0662 114.4538 57.5844 63.4798 174.7049 720 K 4.4757 7.5579 113.2105 54.3089 33.7814 174.9704 721 E 4.8591 7.4548 119.4389 55.3093 32.7772 175.7250 722 P 4.5772 0.0000 0.0000 62.2806 30.6299 177.3017 723 R 4.1303 7.2891 119.9023 59.2266 31.5125 177.8704 724 D 4.4827 7.9031 117.5048 54.3331 42.6786 176.1865 725 P 4.2586 0.0000 0.0000 66.1458 31.1531 178.4538 726 D 4.3657 8.1402 118.4319 57.1324 40.7155 178.6582 727 Q 3.8048 7.9734 119.2375 59.2783 29.2746 177.7410 728 L 4.0402 8.1020 122.6739 58.0730 42.0126 177.0930 729 Y 4.2914 9.0065 120.2511 61.6939 38.5198 178.1058 730 S 3.6416 7.9849 113.5741 61.1693 62.6999 176.6969 731 T 3.7606 7.7294 118.8155 66.7678 68.2339 176.3779 732 L 3.3523 7.8495 120.7026 57.1895 41.5506 179.1097 733 K 3.7797 7.7005 119.6322 59.8569 31.9414 178.8959 734 S 4.1168 8.4682 115.3528 61.6530 62.7455 176.5419 735 I 3.8649 7.5027 122.0304 64.4374 36.8506 178.0483 736 L 4.0810 8.7049 121.2229 58.5604 42.0205 178.9810 737 Q 4.0457 8.6273 118.1035 59.2492 28.6453 179.2694 738 Q 4.0018 8.3451 118.8492 59.0503 28.7130 178.5975 739 V 3.7317 8.3746 118.2542 65.9796 31.4591 177.6346 740 K 4.1928 8.2167 118.8725 59.1758 32.2718 178.2364 741 S 4.3276 7.8179 111.0289 58.9028 62.8886 173.7684 742 H 3.9857 8.1246 121.6133 56.2799 30.2002 174.5944 743 Q 4.1684 8.5958 127.2079 59.0085 28.9039 177.2029 744 S 3.9431 7.6283 112.8509 56.0000 61.7001 173.7960 745 A 4.4713 6.5807 132.2050 52.0533 20.0707 178.4738 746 W 4.4572 6.8207 121.3550 60.7191 29.6049 177.5096 747 P 4.3532 0.0000 0.0000 64.4653 31.1070 177.0864 748 F 5.4532 6.8234 115.4616 58.2821 40.3490 177.9053 749 M 4.0359 7.8382 119.9813 57.9958 31.8615 176.1842 750 E 4.4821 7.9100 117.9939 53.5605 30.9694 173.5843 751 P 4.4093 0.0000 0.0000 62.6355 31.8223 175.9468 752 V 3.7117 8.2911 123.4136 61.6857 31.9302 176.1937 753 K 3.9709 9.6300 130.6170 56.6982 32.1202 176.6758 754 R 4.5362 8.2804 116.2737 56.2215 29.9258 176.2923 755 T 4.4941 7.6665 107.6704 63.9816 70.9465 175.5373 756 E 3.8232 8.3409 118.9948 57.8509 29.4098 176.8493 757 A 4.6186 7.2307 122.0175 49.7146 20.2643 175.9148 758 P 4.4066 0.0000 0.0000 63.6812 28.8328 171.0620 759 G 3.8721 8.4570 119.0557 46.3565 0.0000 169.0859 760 Y 4.3345 8.4678 123.6910 59.0352 40.7202 177.0419 761 Y 4.0536 8.4909 118.3743 60.1071 38.7163 176.5546 762 E 4.3795 7.9035 118.2990 58.7554 30.3961 178.0116 763 V 3.6349 7.6363 112.4341 63.6601 32.0087 176.5863 764 I 3.9914 7.4750 121.3147 59.8177 37.3047 175.4293 765 R 3.8091 8.1220 125.3715 56.5974 30.8201 176.2616 766 F 4.8171 7.1922 114.8527 54.0345 39.3379 171.7803 767 P 4.5098 0.0000 0.0000 62.5627 32.1397 175.8818 768 M 4.6780 8.2917 119.4025 54.8485 35.3884 173.3600 769 D 4.9386 8.2856 123.9657 51.5538 45.1012 176.2692 770 L 4.0330 8.4952 121.4258 57.8350 41.2539 179.8821 771 K 3.9393 8.1893 118.5079 59.2971 32.3294 177.7727 772 T 4.5169 7.9689 114.9988 65.3082 69.2271 176.2716 773 M 4.1927 7.9661 120.8661 58.4274 32.0107 178.3437 774 S 4.3422 8.1741 113.7597 61.9743 62.8197 176.5553 775 E 4.0009 8.1782 120.7024 59.1385 29.5003 178.9277 776 R 4.0032 7.8990 118.0048 58.5930 30.2917 178.3642 777 L 4.1185 8.4070 120.6304 58.4254 41.8540 179.0820 778 K 3.9973 8.0226 116.6953 59.3191 32.1474 176.9753 779 N 4.7104 8.1984 115.1188 52.7757 39.1477 174.8694 780 R 3.8384 8.2624 112.9694 57.0254 27.9362 176.3191 781 Y 3.7397 7.7744 117.6764 58.9734 39.6598 174.1591 782 Y 4.9286 7.6956 116.9798 56.7609 38.0416 176.0241 783 V 4.6263 7.9967 120.7460 59.5029 32.1639 174.5975 784 S 4.5093 7.0826 112.4077 57.1968 67.0070 173.2126 785 K 4.0846 6.3928 127.4368 56.2524 38.1598 176.5967 786 K 4.1151 7.3904 120.2414 58.9451 32.5749 178.6395 787 L 3.9956 8.0139 119.3585 58.3083 41.5593 178.8857 788 F 3.3963 8.0346 119.5723 61.3306 39.6994 177.0301 789 M 4.2406 8.1834 117.3614 58.4803 31.9771 178.1859 790 A 3.8385 8.3836 121.2574 55.1898 18.6152 178.9818 791 D 3.9622 7.4097 117.0170 57.3559 40.9548 178.5963 792 L 2.9374 6.7527 120.2657 58.1060 41.7569 178.8478 793 Q 3.8887 7.5278 118.8020 59.2361 29.0101 178.1468 794 R 4.2814 8.0738 121.2046 58.7633 29.9864 178.6319 795 V 3.4007 7.1658 117.5974 66.1035 31.5595 177.9144 796 F 4.2468 7.1354 117.1437 60.6861 38.9159 177.5381 797 T 3.9382 8.4088 115.5107 67.2341 68.5123 176.3930 798 N 4.4201 8.1377 117.7740 56.5980 38.4530 176.4339 799 C 4.5313 8.2099 119.9171 62.8198 31.3640 175.5134 800 K 3.8610 8.0407 119.9504 59.7361 31.9630 178.2065 801 E 4.1067 7.8666 118.0447 59.6974 29.5161 178.2564 802 Y 4.5270 7.7442 115.7677 58.3439 38.5771 175.1009 803 N 4.4286 6.3467 120.1976 50.9495 38.6739 172.7805 804 P 4.2783 0.0000 0.0000 62.3909 32.4532 175.0971 805 P 4.0929 0.0000 0.0000 62.4128 28.8501 175.5252 806 E 4.4080 7.5713 116.2343 57.7028 34.3285 176.5780 807 S 4.5123 7.3907 111.4061 57.6913 63.8501 173.5445 808 E 4.2805 8.4505 118.6892 58.6809 29.2410 178.3212 809 Y 4.2176 7.7506 116.9217 61.2051 37.8853 177.6410 810 Y 4.1184 8.3142 119.8424 60.9338 38.8578 178.4349 811 K 3.8330 8.1857 118.5986 59.3973 32.1160 178.4293 812 C 3.7235 7.9473 118.7237 62.4730 31.3433 175.5241 813 A 3.5453 7.8347 121.9055 55.1225 18.0265 178.9509 814 N 4.2348 7.5241 116.7171 56.3506 38.8874 176.8633 815 I 3.6351 8.1183 121.3610 64.3319 37.2727 178.1746 816 L 3.7449 8.0547 121.3260 58.0205 41.9088 178.8578 817 E 4.1969 8.1829 119.7840 58.7539 29.5000 178.7346 818 K 4.0145 8.0171 119.8602 59.4640 32.3975 178.4391 819 F 4.0873 8.2432 120.9936 61.3134 39.2722 176.4987 820 F 4.4958 8.7907 120.1400 61.7990 39.3054 176.8694 821 F 3.2241 8.3540 117.0302 60.6925 38.5103 178.0271 822 S 4.0633 7.9058 113.3026 61.2487 62.7797 176.2914 823 K 3.7989 8.1037 122.8666 59.5375 31.8100 178.7041 824 I 3.5810 7.6452 113.1666 64.1663 36.9362 178.1473 825 K 3.5867 7.5132 119.0468 59.1823 31.8617 178.7117 826 E 4.1020 8.1230 118.2895 58.9056 29.5793 178.5585 827 A 4.2206 7.7091 119.6874 54.2787 18.8440 178.0049 828 G 4.2120 8.5896 105.1927 45.5482 0.0000 174.2849 829 L 4.2193 7.9483 124.2419 53.8574 40.2857 177.5686 830 I 2.9883 8.8137 129.6263 61.6121 36.7491 171.3339 831 D 4.3672 8.0118 122.8667 55.9876 43.8337 176.0051 *832 K 4.1431 7.8378 124.3285 54.7569 32.4096 177.6963 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 715 G 8.35 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 716 S 8.45 4.45 0.00 3.91 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 0.00 717 H 9.21 4.97 0.00 3.08 3.23 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 718 M 7.46 4.86 0.00 1.96 1.89 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 2.47 2.40 0.00 719 S 8.07 4.60 0.00 3.71 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 0.00 720 K 7.56 4.48 0.00 1.65 1.61 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.30 7.81 721 E 7.45 4.86 0.00 1.91 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 0.00 2.13 2.19 0.00 722 P 0.00 4.58 0.00 2.16 2.07 0.00 3.73 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 1.96 2.10 0.00 723 R 7.29 4.13 0.00 1.82 1.96 0.00 3.39 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 724 D 7.90 4.48 0.00 2.76 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 0.00 725 P 0.00 4.26 0.00 2.23 2.29 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 726 D 8.14 4.37 0.00 2.73 2.81 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 0.00 0.00 0.00 0.00 727 Q 7.97 3.80 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 728 L 8.10 4.04 0.00 1.84 1.73 0.87 0.68 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 0.00 729 Y 9.01 4.29 0.00 3.09 3.06 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 0.00 730 S 7.98 3.64 0.00 3.52 3.72 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 0.00 731 T 7.73 3.76 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 1.11 0.00 0.00 732 L 7.85 3.35 0.00 1.57 0.66 1.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 733 K 7.70 3.78 0.00 1.62 1.70 0.00 1.33 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.34 7.81 734 S 8.47 4.12 0.00 4.07 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 0.00 735 I 7.50 3.86 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 1.36 0.00 0.00 736 L 8.70 4.08 0.00 2.10 1.80 0.96 1.16 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 0.00 737 Q 8.63 4.05 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 738 Q 8.35 4.00 0.00 2.57 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.81 0.00 739 V 8.37 3.73 2.32 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 1.00 0.00 0.00 1.11 0.00 0.00 740 K 8.22 4.19 0.00 2.03 1.87 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.51 7.81 741 S 7.82 4.33 0.00 4.07 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 0.00 742 H 8.12 3.99 0.00 3.17 3.11 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 743 Q 8.60 4.17 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.23 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 744 S 7.63 3.94 0.00 3.95 3.65 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 0.00 745 A 6.58 4.47 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 0.00 746 W 6.82 4.46 0.00 3.51 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 0.00 747 P 0.00 4.35 0.00 1.37 2.02 0.00 2.33 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.62 0.00 748 F 6.82 5.45 0.00 3.17 3.06 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 0.00 749 M 7.84 4.04 0.00 2.02 2.42 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.76 0.00 750 E 7.91 4.48 0.00 1.95 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 2.22 2.27 0.00 751 P 0.00 4.41 0.00 2.16 2.04 0.00 3.81 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 1.96 1.94 0.00 752 V 8.29 3.71 1.83 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 0.36 0.00 0.00 0.85 0.00 0.00 753 K 9.63 3.97 0.00 1.61 1.64 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.32 7.81 754 R 8.28 4.54 0.00 2.07 2.00 0.00 3.09 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 755 T 7.67 4.49 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 1.19 0.00 0.00 756 E 8.34 3.82 0.00 2.05 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 0.00 2.18 2.21 0.00 757 A 7.23 4.62 0.99 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 0.00 0.00 0.00 0.00 0.00 758 P 0.00 4.41 0.00 2.32 2.23 0.00 4.30 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.16 0.00 759 G 8.46 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 0.00 760 Y 8.47 4.33 0.00 2.89 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 0.00 761 Y 8.49 4.05 0.00 3.15 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 0.00 762 E 7.90 4.38 0.00 2.05 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 2.45 0.00 763 V 7.64 3.63 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 0.68 0.00 0.00 1.02 0.00 0.00 764 I 7.47 3.99 1.07 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.36 0.52 0.00 0.00 765 R 8.12 3.81 0.00 1.30 0.66 0.00 2.99 0.00 0.00 2.61 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.33 0.00 766 F 7.19 4.82 0.00 3.03 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 0.00 767 P 0.00 4.51 0.00 2.12 2.30 0.00 3.72 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 768 M 8.29 4.68 0.00 1.86 1.87 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 2.39 2.58 0.00 769 D 8.29 4.94 0.00 2.71 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 0.00 770 L 8.50 4.03 0.00 2.02 1.81 1.14 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 771 K 8.19 3.94 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.61 7.81 772 T 7.97 4.52 4.34 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 1.18 0.00 0.00 773 M 7.97 4.19 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 774 S 8.17 4.34 0.00 4.11 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 0.00 775 E 8.18 4.00 0.00 2.04 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 2.33 2.59 0.00 776 R 7.90 4.00 0.00 1.88 1.22 0.00 2.71 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.68 0.00 777 L 8.41 4.12 0.00 2.03 1.95 1.03 0.92 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 0.00 778 K 8.02 4.00 0.00 2.08 1.95 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.62 7.81 779 N 8.20 4.71 0.00 2.69 2.92 0.00 0.00 7.40 7.21 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 0.00 780 R 8.26 3.84 0.00 1.74 1.71 0.00 2.81 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.17 0.00 781 Y 7.77 3.74 0.00 2.83 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 0.00 0.00 0.00 782 Y 7.70 4.93 0.00 3.33 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 0.00 783 V 8.00 4.63 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 0.78 0.00 0.00 0.90 0.00 0.00 784 S 7.08 4.51 0.00 3.80 3.66 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 0.00 0.00 0.00 0.00 785 K 6.39 4.08 0.00 1.82 1.60 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.25 7.81 786 K 7.39 4.12 0.00 2.12 1.78 0.00 1.75 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.55 7.81 787 L 8.01 4.00 0.00 1.85 1.92 1.04 1.20 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 0.00 788 F 8.03 3.40 0.00 3.15 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 0.00 789 M 8.18 4.24 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 790 A 8.38 3.84 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 0.00 791 D 7.41 3.96 0.00 2.17 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 0.00 0.00 0.00 792 L 6.75 2.94 0.00 0.70 0.48 -0.42 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 793 Q 7.53 3.89 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 794 R 8.07 4.28 0.00 1.85 1.87 0.00 3.21 0.00 0.00 3.07 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 795 V 7.17 3.40 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 0.42 0.00 0.00 0.63 0.00 0.00 796 F 7.14 4.25 0.00 3.04 2.85 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 0.00 0.00 0.00 797 T 8.41 3.94 4.30 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 1.26 0.00 0.00 798 N 8.14 4.42 0.00 3.03 2.88 0.00 0.00 6.73 7.64 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 0.00 799 C 8.21 4.53 0.00 3.53 3.28 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 0.00 800 K 8.04 3.86 0.00 2.02 2.10 0.00 1.79 0.00 0.00 1.43 0.00 0.00 2.67 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.58 7.81 801 E 7.87 4.11 0.00 2.23 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 2.36 2.42 0.00 802 Y 7.74 4.53 0.00 3.18 3.08 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 0.00 0.00 0.00 0.00 803 N 6.35 4.43 0.00 1.44 2.47 0.00 0.00 7.29 7.57 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 0.00 804 P 0.00 4.28 0.00 2.19 1.94 0.00 3.67 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 805 P 0.00 4.09 0.00 1.59 0.75 0.00 3.48 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 806 E 7.57 4.41 0.00 1.87 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 2.11 2.18 0.00 807 S 7.39 4.51 0.00 3.85 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 0.00 808 E 8.45 4.28 0.00 1.81 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 2.25 0.00 809 Y 7.75 4.22 0.00 3.17 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 0.00 810 Y 8.31 4.12 0.00 3.08 3.07 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 0.00 811 K 8.19 3.83 0.00 2.01 1.85 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.69 1.61 7.81 812 C 7.95 3.72 0.00 2.41 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 0.00 813 A 7.83 3.55 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 0.00 814 N 7.52 4.23 0.00 2.51 2.70 0.00 0.00 6.65 7.98 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 0.00 815 I 8.12 3.64 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.46 0.94 0.00 0.00 816 L 8.05 3.74 0.00 1.72 1.16 0.68 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 817 E 8.18 4.20 0.00 1.66 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 2.44 2.80 0.00 818 K 8.02 4.01 0.00 2.03 1.87 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.56 7.81 819 F 8.24 4.09 0.00 3.24 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 0.00 820 F 8.79 4.50 0.00 3.52 3.69 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 0.00 0.00 0.00 0.00 821 F 8.35 3.22 0.00 3.36 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 0.00 822 S 7.91 4.06 0.00 4.00 3.74 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 0.00 823 K 8.10 3.80 0.00 1.69 1.79 0.00 1.59 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.83 1.59 7.81 824 I 7.65 3.58 1.76 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 1.17 0.42 0.75 0.00 0.00 825 K 7.51 3.59 0.00 1.91 1.86 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.43 7.81 826 E 8.12 4.10 0.00 2.01 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 2.38 2.37 0.00 827 A 7.71 4.22 1.27 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 0.00 0.00 0.00 828 G 8.59 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 0.00 0.00 0.00 0.00 829 L 7.95 4.22 0.00 1.58 0.99 0.92 0.81 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 0.00 830 I 8.81 2.99 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.18 0.83 0.00 0.00 831 D 8.01 4.37 0.00 2.50 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *832 K 7.84 4.14 0.00 1.56 1.61 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.