NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 601 K 4.2883 8.1727 120.1444 56.8373 34.8232 173.9226 602 V 4.6208 8.1543 121.8809 60.9688 32.4023 174.6989 603 F 4.4379 9.6023 128.2061 57.2845 40.2942 175.4993 604 G 3.8057 9.0869 109.1435 45.7187 0.0000 174.5137 605 R 3.0883 8.7435 120.6775 59.7019 29.9323 179.6444 606 C 4.3196 8.0402 115.4127 59.7315 40.8450 175.5931 607 E 3.9048 8.0976 120.5663 59.3607 29.2359 178.5728 608 L 3.6873 8.0651 120.0590 57.7595 41.9578 178.6457 609 A 3.9141 7.8972 120.6072 55.0832 18.2781 179.3982 610 A 3.8983 8.2772 119.2265 55.2506 18.4420 179.6607 611 A 3.9503 8.0295 119.1432 55.7849 18.5307 179.8339 612 M 3.8289 8.6069 117.6040 58.1355 31.8994 179.0122 613 K 3.9237 8.2684 120.1049 59.6738 32.2265 179.2165 614 R 4.0265 8.0331 117.0829 59.0057 29.8920 177.5047 615 H 4.6378 8.0659 114.8304 54.9281 29.1691 175.2269 616 G 3.9310 7.6648 107.7119 46.8018 0.0000 175.4570 617 L 3.8178 7.6671 120.3273 55.1163 42.1721 176.2888 618 D 4.6699 7.7700 117.4047 55.5523 40.0061 174.4397 619 N 4.5459 9.1183 125.8832 54.3202 37.9913 173.4404 620 Y 4.1938 8.1882 118.0928 57.8590 39.1801 175.5547 621 R 3.3606 9.2459 126.9284 57.2161 27.8650 177.1987 622 G 3.7567 8.5040 103.3371 45.5016 0.0000 173.1920 623 Y 4.6786 7.9461 118.7948 55.7639 39.4235 175.8773 624 S 4.7408 8.6502 119.6209 57.7287 64.3683 174.6420 625 L 4.1519 9.2298 124.1418 58.7512 42.0272 179.4050 626 G 4.0139 8.5454 104.5322 48.2625 0.0000 174.8790 627 N 4.4210 8.3043 118.4470 56.1869 38.5581 177.5231 628 W 3.9195 7.9888 120.1395 59.3723 29.1427 178.9611 629 V 3.6002 7.7701 117.9162 65.9826 31.1517 178.4119 630 C 2.4926 8.1702 118.3560 59.0615 44.3757 175.3531 631 A 3.8875 7.8709 122.0611 55.0994 17.9111 179.4616 632 A 4.0830 7.8610 120.5405 54.4457 18.3692 179.6343 633 K 2.4931 7.6690 118.0068 59.4886 31.9495 179.1059 634 F 4.1627 7.3583 115.8989 60.0161 38.8677 177.3777 635 E 4.3410 8.0993 118.2323 58.7469 29.8064 178.2832 636 S 4.4857 8.0701 108.5449 57.9673 65.5122 173.6981 637 N 3.6877 8.6224 117.2354 54.6933 36.2807 174.2589 638 F 3.9601 7.6403 111.5162 58.5768 36.8874 174.3366 639 N 5.2294 7.8308 120.4462 52.1027 39.0724 175.8378 640 T 4.0479 8.9575 117.7733 64.2634 69.0362 175.7153 641 Q 4.4375 8.1082 119.0767 55.4275 29.3595 175.4273 642 A 4.3432 7.8770 121.9287 52.4270 19.3278 177.2428 643 T 4.9526 8.3338 111.0497 59.9431 72.5522 172.9264 644 N 4.8467 8.6215 121.4769 52.0160 42.2578 173.0201 645 R 4.5006 8.6884 126.9875 55.9163 31.3947 175.1382 646 N 5.0511 9.0975 123.4232 51.6282 41.2166 176.2778 647 T 3.8966 8.6449 117.4056 66.5715 68.6946 175.0279 648 D 4.6294 8.1256 119.1376 53.1255 39.4167 177.4400 649 G 3.9243 8.0829 107.7873 45.7486 0.0000 174.1684 650 S 4.7611 8.2859 115.0387 57.8231 65.5202 173.3056 651 T 5.0674 9.0073 116.4302 62.0006 72.8917 172.7207 652 D 5.4315 8.9723 124.7401 53.3075 43.0364 175.2562 653 Y 5.0908 9.1019 120.2691 57.3279 42.3960 176.8681 654 G 4.3715 8.7809 110.0744 45.1824 0.0000 174.2008 655 I 4.3075 8.1563 116.5551 62.6890 37.9276 176.9720 656 L 4.6266 7.8452 117.7023 53.7113 42.6622 176.7127 657 Q 3.3677 7.9804 115.9962 56.9793 26.6060 174.3382 658 I 4.2719 8.2520 120.1571 60.6416 39.2027 177.0886 659 N 5.3836 9.1817 126.2246 53.8831 39.8789 175.3526 660 S 4.9587 9.4213 119.0288 59.1711 63.6246 175.0501 661 A 3.9544 10.3235 124.1230 53.9605 18.9900 179.4247 662 W 4.0303 8.3572 113.8502 57.2359 31.2060 177.7968 663 W 4.7603 8.1924 117.6829 57.7198 29.6646 173.6143 664 C 5.6002 7.9596 110.6437 53.5067 44.1601 171.7382 665 N 5.0135 8.7837 118.9083 51.9814 39.9307 174.5161 666 D 4.6960 8.6988 123.4560 52.5999 39.9471 177.0880 667 G 3.9877 9.1054 107.4388 46.3310 0.0000 174.9702 668 R 4.6095 8.7137 115.0579 56.0680 30.1146 174.6317 669 T 4.4925 7.8629 115.2378 61.5765 70.2336 172.6062 670 P 4.0881 0.0000 0.0000 63.8853 31.8154 176.4971 671 G 3.7161 8.5453 112.1746 46.4293 0.0000 173.7175 672 S 4.2662 7.9021 113.0903 57.9138 63.1576 173.6147 673 R 4.0799 8.2864 125.8452 55.7227 31.3593 175.8109 674 N 4.1294 7.5591 116.5399 54.0337 37.7930 175.1688 675 L 3.9998 8.2005 119.3166 58.2122 42.2336 178.5079 676 C 4.5970 8.6485 113.5737 56.7160 40.8734 172.8930 677 N 4.1953 8.1710 117.1759 53.5481 36.3803 173.6364 678 I 4.6587 8.1469 109.5178 58.7551 41.5296 172.9115 679 P 4.8395 0.0000 0.0000 62.3052 32.0941 178.5512 680 C 4.1512 8.7850 120.4487 59.8471 41.0613 176.7402 681 S 3.8458 7.9183 115.3333 61.2562 62.5472 176.2286 682 A 4.0361 7.9815 124.1976 54.5293 17.6204 178.5914 683 L 4.4318 8.0060 116.0656 55.5205 41.7304 177.8166 684 L 5.3242 7.5362 117.5360 53.6355 42.5136 176.8022 685 S 4.3699 7.4125 112.8103 57.9793 62.7955 174.3490 686 S 4.2961 8.5231 118.9218 60.1470 63.2813 173.6170 687 D 4.6683 8.2709 122.4254 53.3334 41.1018 176.2815 688 I 4.0643 8.3370 119.9185 61.5854 37.7914 177.2335 689 T 3.8759 8.4161 119.1531 67.4941 68.3873 175.8559 690 A 3.9859 7.9130 121.5270 55.3130 18.4144 179.6759 691 S 4.0830 7.9580 113.2301 61.5839 62.8816 176.9977 692 V 3.2577 7.8485 121.0146 65.9032 31.1583 177.6502 693 N 4.1325 8.0754 116.2864 56.6230 38.3265 176.5985 694 C 4.2473 8.2902 119.3841 59.5482 44.2195 175.2799 695 A 4.1140 8.1888 122.6854 55.2754 17.9919 179.7914 696 K 3.6261 7.9494 117.0362 59.3210 31.7790 179.5510 697 K 4.0722 7.5164 118.9327 59.3524 32.3280 178.7310 698 I 3.2074 7.7361 120.5936 64.1501 36.7461 178.8681 699 V 3.9098 7.9433 118.1687 64.4166 31.3122 177.6034 700 S 4.4992 7.7155 113.5893 58.6200 63.4503 173.7685 701 D 4.6787 7.7977 122.8328 53.2024 41.7237 177.1214 702 G 3.9433 8.7219 112.3324 47.7787 0.0000 173.7677 703 N 4.8703 8.2723 116.5956 51.4313 37.9822 175.9525 704 G 3.9837 8.0846 107.7235 47.8243 0.0000 175.0811 705 M 4.2219 7.5632 120.6858 56.0892 31.5094 177.6240 706 N 4.8522 7.8765 116.6142 54.9972 38.8596 176.2271 707 A 3.7836 7.3798 120.1544 53.8668 18.7000 177.9184 708 W 4.5448 8.0264 116.7927 55.1156 29.9010 177.0081 709 V 3.6427 8.5079 124.3758 66.1968 30.9697 177.4493 710 A 4.0098 8.3237 119.7334 55.0427 18.1244 179.2819 711 W 3.8968 8.2544 126.2946 60.4639 30.6598 178.0723 712 R 3.5066 8.0821 117.7136 59.2995 29.6837 177.7363 713 N 4.4989 8.4382 114.3041 54.4215 38.9088 175.9496 714 R 4.2519 7.7336 115.8632 55.1112 32.6110 175.1766 715 C 4.6403 7.2528 113.9912 57.3823 42.6822 174.2978 716 K 3.0328 7.0342 120.2799 57.5913 31.7702 176.3889 717 G 3.8416 8.7212 112.8417 46.2173 0.0000 172.6922 718 T 4.5529 7.3383 108.7048 59.1975 71.9286 175.0505 719 D 4.7160 8.2252 120.6975 53.4921 37.4049 176.8888 720 V 4.0634 7.7822 116.0806 64.5279 32.2524 177.8838 721 Q 4.0673 8.3457 118.5250 58.7930 28.3582 177.8265 722 A 4.0445 8.3828 122.2405 54.7403 18.0809 179.3863 723 W 3.8472 8.4207 117.0433 58.6396 29.4331 176.9321 724 I 4.4231 7.7853 110.8511 60.6010 38.8483 175.8279 725 R 4.1675 7.2361 121.7108 57.8300 30.3239 175.3665 726 G 4.1018 8.9997 111.9768 45.7266 0.0000 174.6514 727 C 4.5278 7.7506 115.7843 56.4660 40.9664 174.2440 728 R 4.1750 8.2927 124.7551 55.3140 28.8619 177.3569 *729 L 4.1540 8.1366 121.4704 54.2543 41.6121 175.5786 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 601 K 8.17 4.29 0.00 1.71 1.95 0.00 1.20 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.33 7.81 602 V 8.15 4.62 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 0.93 0.00 0.00 0.98 0.00 0.00 603 F 9.60 4.44 0.00 2.90 2.84 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 0.00 604 G 9.09 3.81 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 0.00 0.00 0.00 605 R 8.74 3.09 0.00 1.93 1.94 0.00 3.61 0.00 0.00 3.71 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 606 C 8.04 4.32 0.00 3.00 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 0.00 607 E 8.10 3.90 0.00 2.05 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 0.00 2.76 2.45 0.00 608 L 8.07 3.69 0.00 1.48 1.43 0.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 609 A 7.90 3.91 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 0.00 610 A 8.28 3.90 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 0.00 611 A 8.03 3.95 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 0.00 612 M 8.61 3.83 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.30 0.00 613 K 8.27 3.92 0.00 1.91 2.00 0.00 1.65 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 1.44 1.49 7.81 614 R 8.03 4.03 0.00 2.02 1.96 0.00 3.20 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 615 H 8.07 4.64 0.00 3.00 3.16 0.00 6.00 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 0.00 616 G 7.66 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 617 L 7.67 3.82 0.00 1.55 0.98 0.20 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 618 D 7.77 4.67 0.00 2.67 2.68 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 0.00 0.00 0.00 0.00 619 N 9.12 4.55 0.00 2.97 3.05 0.00 0.00 7.14 6.91 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 0.00 620 Y 8.19 4.19 0.00 3.19 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 0.00 621 R 9.25 3.36 0.00 2.01 1.94 0.00 3.21 0.00 0.00 2.97 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 622 G 8.50 3.76 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 0.00 0.00 0.00 623 Y 7.95 4.68 0.00 3.47 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 0.00 624 S 8.65 4.74 0.00 4.12 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 0.00 625 L 9.23 4.15 0.00 1.98 1.85 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 626 G 8.55 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 0.00 0.00 0.00 627 N 8.30 4.42 0.00 2.59 2.36 0.00 0.00 7.02 7.84 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 0.00 628 W 7.99 3.92 0.00 3.44 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 0.00 629 V 7.77 3.60 2.31 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 1.21 0.00 0.00 1.02 0.00 0.00 630 C 8.17 2.49 0.00 2.25 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 0.00 631 A 7.87 3.89 1.03 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 0.00 0.00 632 A 7.86 4.08 1.48 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 0.00 633 K 7.67 2.49 0.00 1.20 0.98 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.71 1.47 7.81 634 F 7.36 4.16 0.00 3.02 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 0.00 635 E 8.10 4.34 0.00 1.98 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 2.54 2.47 0.00 636 S 8.07 4.49 0.00 4.06 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 0.00 637 N 8.62 3.69 0.00 2.76 2.80 0.00 0.00 6.93 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 0.00 638 F 7.64 3.96 0.00 3.43 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 0.00 639 N 7.83 5.23 0.00 2.90 2.85 0.00 0.00 7.00 6.75 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 0.00 640 T 8.96 4.05 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 1.56 0.00 0.00 641 Q 8.11 4.44 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 642 A 7.88 4.34 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 0.00 643 T 8.33 4.95 3.93 0.00 0.00 0.00 0.00 0.00 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 0.00 644 N 8.62 4.85 0.00 2.87 2.79 0.00 0.00 6.88 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 0.00 645 R 8.69 4.50 0.00 1.83 1.78 0.00 3.26 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 646 N 9.10 5.05 0.00 2.90 2.71 0.00 0.00 6.74 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 0.00 647 T 8.64 3.90 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 1.22 0.00 0.00 648 D 8.13 4.63 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 649 G 8.08 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 650 S 8.29 4.76 0.00 4.08 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 0.00 651 T 9.01 5.07 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 0.53 0.00 0.00 652 D 8.97 5.43 0.00 2.66 2.67 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 0.00 0.00 0.00 0.00 653 Y 9.10 5.09 0.00 2.93 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 0.00 654 G 8.78 4.37 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 0.00 655 I 8.16 4.31 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.37 0.84 0.00 0.00 656 L 7.85 4.63 0.00 1.72 1.79 0.79 0.63 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 0.00 657 Q 7.98 3.37 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 658 I 8.25 4.27 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.03 1.07 0.00 0.00 659 N 9.18 5.38 0.00 3.09 3.07 0.00 0.00 6.96 7.63 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 0.00 660 S 9.42 4.96 0.00 4.03 4.37 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 0.00 661 A 10.32 3.95 1.07 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 0.00 662 W 8.36 4.03 0.00 2.35 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 0.00 0.00 0.00 0.00 663 W 8.19 4.76 0.00 3.67 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 0.00 664 C 7.96 5.60 0.00 3.22 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 0.00 665 N 8.78 5.01 0.00 2.78 2.66 0.00 0.00 7.18 8.02 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 0.00 666 D 8.70 4.70 0.00 2.77 2.56 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 0.00 0.00 0.00 0.00 667 G 9.11 3.99 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 0.00 668 R 8.71 4.61 0.00 1.86 1.95 0.00 3.06 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 1.85 1.64 0.00 669 T 7.86 4.49 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 0.00 670 P 0.00 4.09 0.00 1.97 1.96 0.00 3.79 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 2.00 2.06 0.00 671 G 8.55 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 0.00 672 S 7.90 4.27 0.00 3.88 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 0.00 673 R 8.29 4.08 0.00 1.75 1.84 0.00 3.05 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.00 674 N 7.56 4.13 0.00 2.95 2.72 0.00 0.00 7.01 6.54 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 0.00 675 L 8.20 4.00 0.00 1.72 1.98 0.88 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 676 C 8.65 4.60 0.00 3.40 3.23 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 0.00 677 N 8.17 4.20 0.00 2.86 2.87 0.00 0.00 6.70 7.02 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 0.00 678 I 8.15 4.66 1.88 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 0.80 0.96 0.00 0.00 679 P 0.00 4.84 0.00 2.15 1.96 0.00 3.59 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 2.09 2.08 0.00 680 C 8.79 4.15 0.00 2.20 1.71 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 0.00 681 S 7.92 3.85 0.00 4.02 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 0.00 682 A 7.98 4.04 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 0.00 683 L 8.01 4.43 0.00 1.91 1.80 1.02 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 684 L 7.54 5.32 0.00 1.80 1.76 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 685 S 7.41 4.37 0.00 3.91 3.99 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 0.00 686 S 8.52 4.30 0.00 4.01 3.99 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 0.00 687 D 8.27 4.67 0.00 2.66 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 0.00 688 I 8.34 4.06 1.65 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 -0.02 0.68 0.00 0.00 689 T 8.42 3.88 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 1.21 0.00 0.00 690 A 7.91 3.99 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 0.00 691 S 7.96 4.08 0.00 3.94 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 0.00 692 V 7.85 3.26 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 0.80 0.00 0.00 0.66 0.00 0.00 693 N 8.08 4.13 0.00 2.91 2.82 0.00 0.00 6.72 7.23 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 0.00 694 C 8.29 4.25 0.00 3.10 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 0.00 695 A 8.19 4.11 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 0.00 696 K 7.95 3.63 0.00 1.69 1.42 0.00 1.24 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.83 7.81 697 K 7.52 4.07 0.00 1.75 2.00 0.00 1.91 0.00 0.00 1.96 0.00 0.00 3.18 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.60 7.81 698 I 7.74 3.21 1.56 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.18 0.00 0.00 699 V 7.94 3.91 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 1.29 0.00 0.00 1.06 0.00 0.00 700 S 7.72 4.50 0.00 4.19 4.05 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 0.00 701 D 7.80 4.68 0.00 2.92 2.67 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 0.00 0.00 0.00 0.00 702 G 8.72 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 0.00 0.00 0.00 703 N 8.27 4.87 0.00 2.97 3.01 0.00 0.00 6.87 6.41 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 0.00 704 G 8.08 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 0.00 0.00 0.00 705 M 7.56 4.22 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.99 0.00 706 N 7.88 4.85 0.00 3.03 2.97 0.00 0.00 6.87 7.36 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 0.00 707 A 7.38 3.78 0.59 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 0.00 0.00 708 W 8.03 4.54 0.00 3.62 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 0.00 709 V 8.51 3.64 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 0.91 0.00 0.00 0.96 0.00 0.00 710 A 8.32 4.01 1.52 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 0.00 0.00 0.00 711 W 8.25 3.90 0.00 3.28 3.44 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 0.00 712 R 8.08 3.51 0.00 2.15 2.21 0.00 3.31 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 713 N 8.44 4.50 0.00 2.61 2.73 0.00 0.00 6.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 714 R 7.73 4.25 0.00 0.74 0.66 0.00 2.88 0.00 0.00 2.88 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.84 0.00 715 C 7.25 4.64 0.00 2.18 2.89 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 0.00 716 K 7.03 3.03 0.00 0.79 1.24 0.00 1.78 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.19 1.00 7.81 717 G 8.72 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 0.00 718 T 7.34 4.55 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 1.19 0.00 0.00 719 D 8.23 4.72 0.00 2.83 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 0.00 720 V 7.78 4.06 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 0.99 0.00 0.00 1.14 0.00 0.00 721 Q 8.35 4.07 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 722 A 8.38 4.04 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 0.00 723 W 8.42 3.85 0.00 3.53 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 0.00 724 I 7.79 4.42 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.00 1.06 0.00 0.00 725 R 7.24 4.17 0.00 1.82 1.86 0.00 3.23 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 726 G 9.00 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 0.00 727 C 7.75 4.53 0.00 3.13 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 0.00 728 R 8.29 4.18 0.00 2.05 1.90 0.00 3.35 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.17 0.00 *729 L 8.14 4.15 0.00 1.43 1.50 0.93 0.86 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 * Residues marked with a * may have inaccurate shift predictions.