NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 674 R 4.3251 8.2544 119.0776 56.2458 32.0581 175.7922 675 S 4.2941 7.7088 113.2716 57.3366 63.0450 173.2339 676 D 4.1281 9.5566 125.5239 56.6059 41.6113 176.4963 677 F 4.7472 7.2893 114.2657 56.3175 41.1677 174.9181 678 S 4.6363 8.1172 113.7760 57.5404 64.8040 174.6673 679 N 4.7138 8.8589 123.8490 54.1383 37.5118 175.5769 680 E 4.4693 8.2303 119.1658 58.3320 30.0958 178.2993 681 D 4.6516 8.1563 119.8292 56.0335 38.9258 178.4543 682 I 3.7609 7.6872 113.4158 63.7073 37.6847 177.0051 683 Y 4.2109 8.0624 117.5498 59.8085 37.9321 176.4364 684 D 4.8199 8.0254 117.9214 54.9601 41.6881 176.5453 685 N 4.8591 7.7118 115.5956 52.8267 38.6866 175.1436 686 I 3.6859 7.6345 119.8723 61.3337 37.7038 175.2459 687 D 4.5047 8.7077 124.9748 53.1588 41.2817 174.9449 688 P 4.3696 0.0000 0.0000 65.7849 31.3374 177.8823 689 D 4.5335 8.6558 118.3209 56.3811 40.7197 176.8085 690 T 4.3599 8.0442 108.8170 61.3413 69.0755 174.3145 691 I 4.4843 7.5433 123.6186 59.4917 38.9757 175.7897 692 S 4.3095 8.6794 122.0432 58.4398 63.3644 173.4692 693 F 4.5267 8.4465 125.6028 55.4097 41.7470 172.8651 694 P 2.9700 0.0000 0.0000 60.6556 32.3996 174.3474 695 P 4.2677 0.0000 0.0000 62.3684 31.8287 177.8081 696 K 3.9682 8.5518 120.9788 59.5410 32.1494 178.4971 697 I 3.7559 8.3584 118.1101 63.0450 38.0028 175.9193 698 A 4.5690 7.6439 123.5719 51.5203 16.9143 176.6911 699 T 4.6802 8.1081 112.5069 60.4656 71.1377 176.3455 700 T 4.5769 8.2329 110.0633 63.2302 68.9152 175.0822 701 D 4.5813 7.7628 121.5201 55.7605 41.4094 176.6827 702 L 4.3152 7.7502 117.4822 54.1747 45.1357 176.1848 703 F 5.3120 8.5795 116.3261 55.5172 43.1825 174.9658 704 L 4.7635 9.4670 122.0101 53.0704 43.3777 176.0886 705 P 4.6135 0.0000 0.0000 66.0516 31.7262 178.6704 706 L 3.9735 8.3927 119.3795 58.1401 42.5970 178.3772 707 F 4.5634 8.6078 120.2332 61.6755 39.1841 176.6048 708 F 4.3977 7.9674 115.4262 59.0258 38.6117 175.5597 709 H 4.6340 8.1457 117.5746 55.9086 29.2757 175.7297 710 F 4.1331 7.7556 119.0539 57.3097 39.0612 175.8884 711 G 3.7441 8.6010 112.9913 47.3689 0.0000 173.2051 712 S 4.3730 6.8531 112.5948 57.5129 65.3095 176.2156 713 T 3.7764 8.4284 117.8528 66.6667 68.4681 176.1170 714 R 4.0598 8.0051 120.3724 59.4572 30.5402 177.5375 715 Q 4.0728 7.8704 116.8674 58.9479 28.9426 178.5176 716 F 2.9211 7.4764 116.7097 58.4391 38.8728 176.2764 *718 D 4.5342 8.1884 120.8733 53.7694 42.9006 177.8884 719 K 3.9179 7.6192 119.1521 59.0904 32.0052 178.6471 720 L 3.6059 7.4706 120.7834 58.3738 42.0157 178.5617 721 H 4.0443 7.9528 115.5617 58.9856 28.4308 177.0183 722 E 3.9339 7.7948 119.8597 59.2176 29.5674 178.9888 723 V 3.7966 7.5318 118.0231 65.8721 31.6297 177.7156 724 I 3.9695 7.6252 110.0291 62.1333 37.7367 176.9911 725 S 4.5486 7.8132 115.1101 60.2840 63.7075 174.6490 726 G 3.7221 7.8750 111.3175 45.1911 0.0000 172.0843 727 D 4.6029 8.0576 120.1451 52.8569 41.1227 176.0038 728 Y 4.6817 8.2119 121.8091 56.1090 40.7163 175.6307 729 E 4.4212 9.3592 125.3863 54.6770 30.6436 176.1797 730 P 4.2409 0.0000 0.0000 65.7530 31.3073 177.7984 731 S 4.5154 8.0256 109.6894 58.9646 63.5574 174.7179 732 Q 4.6827 8.2173 120.7243 55.9826 29.5856 177.3501 733 A 3.9673 8.0707 125.0697 55.2395 18.2926 179.8065 734 E 3.8420 8.1174 117.3617 59.2723 29.8155 178.7875 735 K 3.9533 8.0480 119.1955 59.3118 32.2629 178.2018 736 L 3.3109 7.8002 120.5363 58.1427 42.0351 179.1789 737 V 3.4865 7.8111 118.1687 65.8703 31.3155 177.7511 738 Q 3.9629 8.3553 119.6127 59.3521 28.9263 177.9933 739 D 4.3750 8.6037 120.2996 57.4345 40.9134 178.8304 740 L 4.2075 8.1587 121.0175 56.9037 41.3606 179.2575 741 C 4.4002 7.8331 120.1144 62.1409 31.4320 175.3817 742 D 4.4210 8.2298 119.2868 57.1015 40.4757 177.9495 743 E 4.4442 8.6262 118.3713 57.5311 30.3685 177.1196 744 T 4.9315 7.8776 106.0454 60.5822 70.2959 174.6521 745 G 4.1041 8.3216 110.7766 46.8801 0.0000 172.9563 746 I 4.5595 7.8243 120.7472 59.3127 38.5159 176.0614 747 R 4.1268 8.3930 124.5689 56.2960 30.8782 177.7500 748 K 3.9189 8.9895 121.8215 59.8847 32.1651 178.7503 749 N 4.5714 8.1206 115.1580 55.1675 38.9628 176.5195 750 F 4.4216 7.9753 121.8972 61.8732 39.6490 177.0406 751 S 4.0674 8.1841 114.7782 61.8936 62.5864 176.8858 752 T 3.8679 7.9484 118.3223 66.8706 68.2342 176.8946 753 S 4.1471 8.0458 116.9644 61.5069 62.9092 176.9224 754 I 3.0702 7.6822 122.6746 64.0097 36.6069 178.1602 755 L 4.0343 7.8926 119.9079 58.3739 41.6218 179.8154 756 T 3.9601 7.8307 115.5250 66.7671 68.5004 176.1361 757 C 4.3854 8.0450 114.9534 59.7344 29.8825 174.5259 758 L 4.7745 7.3415 122.1053 52.7826 41.3893 176.4830 759 S 2.7900 8.1213 113.5281 59.0804 60.7833 173.4262 760 G 3.8159 8.2060 106.2915 45.7679 0.0000 174.3814 761 D 4.5979 7.7784 119.7017 52.7911 40.4768 178.1455 762 L 4.3436 8.2096 134.1585 54.3488 40.7831 179.2052 *764 V 4.1325 7.6791 117.4317 62.3410 33.9943 176.5615 765 F 3.8537 8.6199 118.7790 60.9672 38.6689 175.4484 766 P 4.3900 0.0000 0.0000 65.7052 31.2281 178.8797 767 R 4.0204 8.0983 114.1561 58.9630 29.2237 178.1619 768 Y 3.6804 7.5585 119.5566 60.7043 38.8678 177.6887 769 F 3.7549 8.0549 116.8676 60.1581 39.2091 177.4524 770 L 4.3717 8.3423 118.9626 57.7922 41.3648 179.3376 771 N 4.8107 8.0990 115.6049 53.8432 38.7430 177.2867 *773 F 5.1155 8.0889 121.2631 57.7138 41.2907 177.5433 774 K 3.9070 8.6561 121.0075 59.3853 31.9079 177.2083 775 D 4.6700 7.7558 114.7118 53.3032 41.9430 175.8051 776 N 4.3190 7.5822 115.6948 54.3121 36.2712 174.2419 777 V 4.5257 7.2620 108.4917 59.7113 36.2451 175.5529 778 N 4.7218 8.4506 120.4598 51.4968 41.0240 172.5049 779 P 4.4831 0.0000 0.0000 60.5207 32.9452 173.7808 780 P 4.2369 0.0000 0.0000 61.9710 31.4727 175.0339 781 P 4.3405 0.0000 0.0000 64.8173 32.1722 176.0165 782 N 4.9361 7.7770 114.9089 52.4833 39.3379 174.5592 783 V 3.6451 7.0288 117.5966 59.6935 34.3866 172.6232 784 P 4.2878 0.0000 0.0000 63.5668 31.7875 176.5386 785 G 3.8524 9.2494 111.2482 44.7288 0.0000 172.2814 786 I 4.3987 7.1020 119.9357 59.3195 38.1496 175.7166 787 W 4.5554 8.9290 129.0822 56.2897 29.4559 177.0223 788 T 4.4115 8.7125 115.7808 60.7533 70.5016 175.5847 789 H 4.1503 9.0339 120.5196 59.7944 29.7583 176.7674 790 D 4.4686 8.2096 120.0275 57.3438 40.6527 178.3288 791 D 4.4536 8.0809 119.2620 57.6863 40.8140 178.6487 792 D 4.6082 8.5428 119.3037 57.3653 40.5503 178.7528 793 E 3.9930 8.0242 118.6262 59.4834 29.7596 179.1884 794 S 4.6589 8.2686 116.6312 60.9783 62.6472 176.4743 795 L 4.0779 7.9977 122.3373 57.5620 41.9132 178.2789 796 K 4.1653 7.4317 115.9729 55.9392 32.5381 176.8874 797 S 4.5020 7.4444 114.7234 57.8417 64.0811 173.1668 798 N 4.9060 8.4402 116.1687 53.0698 39.4418 173.1948 799 D 4.8568 7.7415 115.6333 51.9513 43.2424 176.0638 800 Q 3.9804 8.5747 126.2180 59.3894 28.8951 178.8159 801 E 4.0344 8.1309 118.9472 59.4010 29.3756 179.3193 802 Q 4.0074 8.2199 117.7943 59.0881 28.7923 178.8972 803 I 3.8298 7.7798 120.6456 64.2580 37.2211 178.7102 804 R 3.9585 8.3679 119.5497 59.1710 29.9980 179.2131 805 K 3.9820 8.4423 118.7034 59.3219 32.0280 179.4427 806 L 3.8862 7.8152 119.2352 57.9827 41.5419 180.0750 807 V 3.8989 7.9611 112.2213 64.1915 31.1829 178.8494 808 K 3.9673 7.7386 117.5542 58.8779 31.7694 179.1021 809 K 3.8976 7.7900 119.6854 59.3195 32.0114 178.0509 810 H 4.6270 8.5179 114.0643 54.2567 28.9820 176.0853 811 G 4.1093 7.7044 106.2013 45.1763 0.0000 174.5724 812 T 4.2522 8.3232 109.6161 64.3597 69.3016 176.2831 813 G 3.8626 8.3052 110.2058 48.6987 0.0000 176.4049 814 R 4.2538 7.2357 118.0000 56.1738 29.3305 177.0227 *816 E 4.1194 8.1597 114.9983 56.4294 31.3688 178.2054 *818 R 3.8331 8.0489 119.9566 56.2667 31.8897 177.3944 819 K 4.0687 8.0240 116.6490 59.7833 31.7709 179.3296 820 R 4.0671 7.8580 117.1194 59.1462 30.0004 178.5185 821 F 4.0505 8.0654 119.3205 61.3457 39.4760 176.7960 822 F 4.1801 8.2986 116.4760 59.1123 40.0767 176.7627 823 E 4.5265 8.9185 122.5812 53.5385 26.1964 176.8212 824 K 4.0397 7.9700 123.2662 54.3678 32.1712 177.0585 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 674 R 8.25 4.33 0.00 1.85 1.91 0.00 3.24 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 675 S 7.71 4.29 0.00 4.01 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 0.00 676 D 9.56 4.13 0.00 2.31 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 0.00 0.00 0.00 677 F 7.29 4.75 0.00 3.07 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 0.00 678 S 8.12 4.64 0.00 3.87 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 0.00 679 N 8.86 4.71 0.00 2.89 2.95 0.00 0.00 6.21 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 0.00 680 E 8.23 4.47 0.00 2.17 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 2.37 2.30 0.00 681 D 8.16 4.65 0.00 3.04 3.01 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 0.00 682 I 7.69 3.76 1.65 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 -0.31 0.84 0.00 0.00 683 Y 8.06 4.21 0.00 3.14 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 0.00 684 D 8.03 4.82 0.00 2.83 2.80 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 0.00 0.00 0.00 685 N 7.71 4.86 0.00 2.73 2.84 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 0.00 686 I 7.63 3.69 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.97 0.00 0.00 687 D 8.71 4.50 0.00 2.69 2.59 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 0.00 0.00 0.00 0.00 688 P 0.00 4.37 0.00 2.41 2.41 0.00 3.79 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 2.11 2.05 0.00 689 D 8.66 4.53 0.00 2.82 2.79 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 0.00 690 T 8.04 4.36 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 1.23 0.00 0.00 691 I 7.54 4.48 2.16 0.00 0.00 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 1.50 0.68 1.01 0.00 0.00 692 S 8.68 4.31 0.00 3.84 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 0.00 693 F 8.45 4.53 0.00 2.85 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 0.00 694 P 0.00 2.97 0.00 1.93 1.15 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 695 P 0.00 4.27 0.00 1.65 1.74 0.00 2.69 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.73 0.00 696 K 8.55 3.97 0.00 1.74 1.88 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.37 7.81 697 I 8.36 3.76 2.04 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 1.35 0.75 1.21 0.00 0.00 698 A 7.64 4.57 0.70 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 0.00 0.00 699 T 8.11 4.68 4.29 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 1.26 0.00 0.00 700 T 8.23 4.58 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 1.11 0.00 0.00 701 D 7.76 4.58 0.00 2.62 2.69 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 0.00 702 L 7.75 4.32 0.00 1.40 0.57 0.68 -0.04 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 0.00 703 F 8.58 5.31 0.00 2.90 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 0.00 704 L 9.47 4.76 0.00 1.86 1.76 1.04 0.65 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 0.00 705 P 0.00 4.61 0.00 2.31 2.28 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 706 L 8.39 3.97 0.00 1.79 1.85 0.78 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 0.00 707 F 8.61 4.56 0.00 3.55 3.09 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 0.00 0.00 0.00 708 F 7.97 4.40 0.00 3.31 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 0.00 709 H 8.15 4.63 0.00 3.20 3.27 0.00 5.85 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 0.00 710 F 7.76 4.13 0.00 2.74 2.39 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 0.00 711 G 8.60 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 0.00 0.00 0.00 712 S 6.85 4.37 0.00 3.89 3.86 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 0.00 713 T 8.43 3.78 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 714 R 8.01 4.06 0.00 1.77 1.94 0.00 3.24 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 715 Q 7.87 4.07 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 716 F 7.48 2.92 0.00 2.15 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 *718 D 8.19 4.53 0.00 2.86 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 0.00 719 K 7.62 3.92 0.00 1.90 1.70 0.00 1.58 0.00 0.00 1.59 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.81 1.51 7.81 720 L 7.47 3.61 0.00 0.91 1.11 0.61 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 721 H 7.95 4.04 0.00 3.33 3.30 0.00 5.69 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 0.00 722 E 7.79 3.93 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 2.32 2.32 0.00 723 V 7.53 3.80 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 0.91 0.00 0.00 0.94 0.00 0.00 724 I 7.63 3.97 1.72 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 1.58 1.15 0.57 0.00 0.00 725 S 7.81 4.55 0.00 4.08 4.11 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 0.00 726 G 7.88 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 0.00 0.00 0.00 727 D 8.06 4.60 0.00 2.47 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 0.00 728 Y 8.21 4.68 0.00 2.88 2.80 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 0.00 0.00 0.00 729 E 9.36 4.42 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 730 P 0.00 4.24 0.00 2.05 2.14 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 731 S 8.03 4.52 0.00 3.98 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 0.00 732 Q 8.22 4.68 0.00 2.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 733 A 8.07 3.97 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 0.00 734 E 8.12 3.84 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 2.39 2.38 0.00 735 K 8.05 3.95 0.00 1.94 2.14 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.94 1.59 7.81 736 L 7.80 3.31 0.00 0.96 1.51 -0.19 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 737 V 7.81 3.49 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 1.01 0.00 0.00 0.92 0.00 0.00 738 Q 8.36 3.96 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 739 D 8.60 4.38 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 740 L 8.16 4.21 0.00 1.75 1.71 0.52 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 741 C 7.83 4.40 0.00 3.08 3.22 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 0.00 742 D 8.23 4.42 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 743 E 8.63 4.44 0.00 2.00 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 2.44 2.48 0.00 744 T 7.88 4.93 4.53 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 745 G 8.32 4.10 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 0.00 746 I 7.82 4.56 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.40 1.03 0.00 0.00 747 R 8.39 4.13 0.00 2.02 1.89 0.00 3.22 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 748 K 8.99 3.92 0.00 1.82 1.90 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.55 7.81 749 N 8.12 4.57 0.00 2.86 2.83 0.00 0.00 6.81 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 0.00 750 F 7.98 4.42 0.00 2.92 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 0.00 751 S 8.18 4.07 0.00 4.10 3.95 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 0.00 0.00 0.00 752 T 7.95 3.87 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 753 S 8.05 4.15 0.00 4.11 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 0.00 754 I 7.68 3.07 1.32 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.03 -0.84 0.00 0.00 755 L 7.89 4.03 0.00 2.00 1.79 1.06 0.91 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 0.00 756 T 7.83 3.96 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 1.26 0.00 0.00 757 C 8.04 4.39 0.00 3.37 3.29 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 0.00 758 L 7.34 4.77 0.00 1.78 1.67 0.55 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 759 S 8.12 2.79 0.00 3.78 3.37 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 0.00 760 G 8.21 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 0.00 0.00 0.00 761 D 7.78 4.60 0.00 2.68 2.66 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 0.00 762 L 8.21 4.34 0.00 1.78 1.63 0.89 0.53 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 *764 V 7.68 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 1.01 0.00 0.00 1.01 0.00 0.00 765 F 8.62 3.85 0.00 3.40 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 0.00 766 P 0.00 4.39 0.00 2.25 1.99 0.00 3.68 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 767 R 8.10 4.02 0.00 2.24 2.55 0.00 3.05 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.69 0.00 768 Y 7.56 3.68 0.00 2.76 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 0.00 769 F 8.05 3.75 0.00 3.17 2.99 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 0.00 770 L 8.34 4.37 0.00 1.77 1.82 1.04 1.18 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 0.00 771 N 8.10 4.81 0.00 2.76 2.77 0.00 0.00 7.04 7.44 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 *773 F 8.09 5.12 0.00 3.28 3.11 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 0.00 774 K 8.66 3.91 0.00 1.95 1.90 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.47 7.81 775 D 7.76 4.67 0.00 2.67 2.69 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 0.00 776 N 7.58 4.32 0.00 2.94 2.89 0.00 0.00 6.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 777 V 7.26 4.53 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 0.78 0.00 0.00 0.90 0.00 0.00 778 N 8.45 4.72 0.00 2.67 2.69 0.00 0.00 7.04 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 0.00 779 P 0.00 4.48 0.00 2.17 2.21 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 780 P 0.00 4.24 0.00 2.00 1.88 0.00 2.65 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 781 P 0.00 4.34 0.00 2.17 2.19 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 782 N 7.78 4.94 0.00 2.66 2.73 0.00 0.00 6.62 7.68 0.00 0.00 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 7.03 3.65 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 0.66 0.00 0.00 0.82 0.00 0.00 784 P 0.00 4.29 0.00 1.84 2.02 0.00 2.37 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 785 G 9.25 3.85 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 0.00 0.00 0.00 786 I 7.10 4.40 1.87 0.00 0.00 0.77 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 0.64 0.99 0.00 0.00 787 W 8.93 4.56 0.00 3.25 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 0.00 788 T 8.71 4.41 4.29 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 1.20 0.00 0.00 789 H 9.03 4.15 0.00 3.27 3.39 0.00 5.67 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 0.00 790 D 8.21 4.47 0.00 2.77 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 0.00 791 D 8.08 4.45 0.00 3.21 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 0.00 792 D 8.54 4.61 0.00 2.96 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 0.00 793 E 8.02 3.99 0.00 2.15 2.02 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 2.43 2.51 0.00 794 S 8.27 4.66 0.00 4.11 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 0.00 795 L 8.00 4.08 0.00 1.93 1.85 1.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 796 K 7.43 4.17 0.00 1.77 1.71 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.20 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.00 1.46 7.81 797 S 7.44 4.50 0.00 3.99 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.44 4.91 0.00 2.62 2.77 0.00 0.00 6.77 8.47 0.00 0.00 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 D 7.74 4.86 0.00 2.83 2.51 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 0.00 800 Q 8.57 3.98 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 801 E 8.13 4.03 0.00 1.97 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 2.40 2.34 0.00 802 Q 8.22 4.01 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 803 I 7.78 3.83 2.02 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 1.55 0.95 0.94 0.00 0.00 804 R 8.37 3.96 0.00 2.01 1.98 0.00 3.13 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 805 K 8.44 3.98 0.00 1.96 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.65 7.81 806 L 7.82 3.89 0.00 1.97 1.79 1.17 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 807 V 7.96 3.90 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 0.89 0.00 0.00 1.02 0.00 0.00 808 K 7.74 3.97 0.00 1.87 1.83 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.58 7.81 809 K 7.79 3.90 0.00 1.64 1.58 0.00 1.33 0.00 0.00 1.18 0.00 0.00 2.62 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.60 1.10 7.81 810 H 8.52 4.63 0.00 2.98 3.16 0.00 5.68 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 G 7.70 4.11 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 0.00 0.00 0.00 812 T 8.32 4.25 4.28 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 1.24 0.00 0.00 813 G 8.31 3.86 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 0.00 0.00 0.00 814 R 7.24 4.25 0.00 2.24 2.35 0.00 3.34 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 *816 E 8.16 4.12 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 2.52 2.28 0.00 *818 R 8.05 3.83 0.00 1.20 1.44 0.00 2.36 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.29 0.00 819 K 8.02 4.07 0.00 2.01 1.87 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.54 7.81 820 R 7.86 4.07 0.00 1.86 2.04 0.00 3.30 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 821 F 8.07 4.05 0.00 2.83 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 0.00 822 F 8.30 4.18 0.00 3.25 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 0.00 823 E 8.92 4.53 0.00 2.01 1.92 0.00 0.00 0.00 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 2.33 0.00 824 K 7.97 4.04 0.00 1.85 1.85 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.16 0.79 7.81 * Residues marked with a * may have inaccurate shift predictions.