NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 687 G 3.8871 8.3544 109.7364 45.7317 0.0000 173.6926 688 S 4.2449 8.3751 112.2569 55.7972 60.7576 171.8053 689 S 4.7891 8.0964 118.1919 56.0028 66.1103 172.4064 690 G 4.1015 8.0190 112.7902 44.4246 0.0000 172.0649 691 S 4.3214 8.4488 114.3338 57.3576 62.9680 173.3023 692 S 4.1963 8.9239 123.3523 60.9942 62.1754 174.4480 693 G 4.1697 7.8375 106.9034 44.3074 0.0000 173.3985 694 M 4.6174 8.3897 122.7265 55.0584 32.6880 176.2544 695 S 4.7313 8.0128 112.7419 56.7863 65.4166 173.0101 696 R 4.3829 8.8464 123.4814 57.1455 31.2850 176.5842 697 G 4.2362 7.5465 104.1418 43.5746 0.0000 172.6600 698 R 4.1141 8.6300 121.3554 58.4905 31.5698 178.0894 699 G 4.1021 7.3772 107.1465 45.3100 0.0000 176.6154 700 R 4.4086 8.4348 127.1810 53.6289 29.5848 175.9310 701 R 4.0290 8.3583 122.9600 56.3512 30.5717 177.8603 702 D 4.5325 8.6332 120.1557 55.4485 39.6699 176.4196 703 N 4.8324 7.8621 116.7196 53.3361 39.2844 175.8645 704 E 4.0250 8.1468 121.2932 59.3746 29.9480 178.8264 705 L 4.0616 7.8286 119.2592 56.8162 42.3587 175.9556 706 I 3.9391 6.9440 118.1527 65.3627 36.4530 174.9567 707 G 3.8643 8.4972 115.4417 45.5976 0.0000 173.5616 708 Q 4.2908 8.1429 119.6670 55.8737 30.6314 175.7014 709 T 4.6356 8.4276 118.4313 63.2814 69.6429 174.1341 710 V 4.6633 8.7971 120.6590 59.3384 35.2384 175.1597 711 R 4.8148 8.4665 124.1956 54.3019 32.4688 174.9716 712 I 4.0512 8.6276 128.2374 62.1882 37.6511 176.8000 713 S 4.7937 8.6823 119.5731 58.4848 64.6742 173.4236 714 Q 4.5259 8.0574 116.7489 54.4121 31.2873 175.1552 715 G 3.9875 8.4840 107.7362 44.2847 0.0000 172.3566 716 P 4.3822 0.0000 0.0000 64.3243 31.3421 176.3541 717 Y 4.0357 7.6494 117.1871 57.2912 38.4743 175.0236 718 K 4.1471 7.5877 121.8903 58.0961 32.4619 176.7943 719 G 3.9716 9.5308 115.0053 45.7335 0.0000 171.9922 720 Y 4.6502 7.9377 116.9298 56.0423 40.6698 175.2104 721 I 4.7970 8.0635 123.1017 60.4244 39.9130 174.7337 722 G 4.2007 8.2689 109.2695 45.9329 0.0000 172.2835 723 V 4.7580 7.9668 121.4949 60.6905 33.5835 174.9630 724 V 3.8003 8.2949 127.8798 63.7799 31.6598 176.2832 725 K 4.1921 9.2819 128.9888 58.2910 33.1882 177.0859 726 D 4.8538 7.9217 117.1685 52.3813 45.2710 173.8850 727 A 5.0106 8.6185 125.3883 50.6565 20.8069 176.2788 728 T 4.5016 8.7032 120.1061 61.5259 70.9346 175.1615 729 E 4.1217 8.7563 120.6242 59.3327 29.6209 178.0777 730 S 4.9134 7.7766 112.2181 57.4918 64.9187 173.4250 731 T 4.7016 7.6163 109.4334 61.3489 72.2961 172.1050 732 A 4.8270 8.8062 123.4303 50.7941 22.7672 176.0145 733 R 4.5008 9.0075 123.1195 56.3734 30.6788 175.7509 734 V 4.6483 8.9123 125.1637 60.9356 34.5383 174.3102 735 E 4.9940 8.9692 128.9686 54.3802 30.7080 175.1799 736 L 4.8129 8.6221 127.9244 55.1301 42.7048 178.4949 737 H 4.4220 8.9011 117.3017 58.5462 28.6609 177.2010 738 S 4.3334 7.6778 115.8472 61.4544 63.1920 175.9436 739 T 4.0355 8.0194 112.0171 62.7052 69.1750 173.7952 740 C 4.9016 7.2411 115.6003 58.6784 29.2985 172.7826 741 Q 4.6880 7.6334 116.4192 55.4213 32.9916 176.2987 742 T 4.8561 8.5337 119.3554 62.6035 69.0704 174.0138 743 I 4.4492 8.7047 121.0926 58.8490 40.7132 174.4716 744 S 5.0791 8.4022 118.9268 57.3379 63.5239 173.3027 745 V 4.4999 8.4949 125.7188 60.7101 35.5803 173.4809 746 D 4.6360 8.8757 124.9300 55.1658 41.2534 177.4423 747 R 3.9570 9.0230 124.7989 59.7636 30.5665 178.0654 748 Q 4.1363 8.4112 116.1255 58.9639 29.1031 178.3412 749 R 3.9818 7.9059 116.2462 58.3288 30.3466 175.8884 750 L 4.6322 7.4152 118.6372 53.9701 43.0303 176.9924 751 T 4.4659 8.5441 121.7312 61.5658 69.1571 173.1889 752 T 4.0326 8.4685 115.6587 62.2583 68.7916 174.1847 753 V 3.8938 8.9746 127.0479 62.0996 33.0601 175.9801 754 G 4.0904 8.6411 107.6248 44.8661 0.0000 172.9695 755 S 3.9378 8.5646 120.1343 57.8817 63.2787 174.2249 756 R 4.7198 8.2892 119.5894 54.4515 32.6238 175.2201 757 R 4.2018 8.4315 113.1871 56.4370 29.5818 175.5172 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 687 G 8.35 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 0.00 0.00 0.00 688 S 8.38 4.24 0.00 3.92 3.80 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 0.00 689 S 8.10 4.79 0.00 3.82 3.68 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 0.00 690 G 8.02 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 0.00 691 S 8.45 4.32 0.00 3.84 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 0.00 692 S 8.92 4.20 0.00 3.86 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 0.00 693 G 7.84 4.17 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 0.00 0.00 0.00 694 M 8.39 4.62 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 695 S 8.01 4.73 0.00 3.93 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 0.00 696 R 8.85 4.38 0.00 1.79 2.00 0.00 3.19 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 697 G 7.55 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 698 R 8.63 4.11 0.00 1.81 1.98 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 699 G 7.38 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 0.00 700 R 8.43 4.41 0.00 1.91 1.97 0.00 3.06 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 701 R 8.36 4.03 0.00 1.89 1.90 0.00 3.12 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 702 D 8.63 4.53 0.00 2.78 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 0.00 703 N 7.86 4.83 0.00 2.71 2.86 0.00 0.00 6.91 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 0.00 704 E 8.15 4.02 0.00 2.18 1.93 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 2.30 2.29 0.00 705 L 7.83 4.06 0.00 1.76 1.64 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 706 I 6.94 3.94 2.03 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 1.23 0.66 1.02 0.00 0.00 707 G 8.50 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 0.00 708 Q 8.14 4.29 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 709 T 8.43 4.64 4.24 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 0.00 0.00 0.00 1.19 0.00 0.00 710 V 8.80 4.66 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 0.76 0.00 0.00 0.96 0.00 0.00 711 R 8.47 4.81 0.00 1.87 1.78 0.00 3.11 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 712 I 8.63 4.05 2.20 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 1.12 0.39 1.04 0.00 0.00 713 S 8.68 4.79 0.00 3.85 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 0.00 714 Q 8.06 4.53 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 5.59 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 715 G 8.48 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 0.00 716 P 0.00 4.38 0.00 1.78 2.06 0.00 3.89 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 2.10 2.01 0.00 717 Y 7.65 4.04 0.00 2.94 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 0.00 718 K 7.59 4.15 0.00 1.93 1.80 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.56 7.81 719 G 9.53 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 0.00 0.00 0.00 720 Y 7.94 4.65 0.00 3.20 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 0.00 721 I 8.06 4.80 1.76 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 1.23 1.53 0.78 0.00 0.00 722 G 8.27 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 0.00 0.00 0.00 723 V 7.97 4.76 2.13 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 0.98 0.00 0.00 1.02 0.00 0.00 724 V 8.29 3.80 2.29 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 0.95 0.00 0.00 0.98 0.00 0.00 725 K 9.28 4.19 0.00 1.72 1.83 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.52 7.81 726 D 7.92 4.85 0.00 2.72 2.41 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 0.00 727 A 8.62 5.01 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 728 T 8.70 4.50 4.36 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 0.00 0.00 0.00 1.20 0.00 0.00 729 E 8.76 4.12 0.00 2.07 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 0.00 2.27 2.33 0.00 730 S 7.78 4.91 0.00 3.72 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 0.00 731 T 7.62 4.70 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 1.19 0.00 0.00 732 A 8.81 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 733 R 9.01 4.50 0.00 1.83 1.89 0.00 3.22 0.00 0.00 3.06 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 734 V 8.91 4.65 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 0.93 0.00 0.00 0.95 0.00 0.00 735 E 8.97 4.99 0.00 2.06 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 2.25 2.27 0.00 736 L 8.62 4.81 0.00 1.70 1.74 1.00 1.48 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 0.00 737 H 8.90 4.42 0.00 3.14 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 738 S 7.68 4.33 0.00 4.04 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 0.00 739 T 8.02 4.04 4.33 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 1.37 0.00 0.00 740 C 7.24 4.90 0.00 3.22 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 0.00 741 Q 7.63 4.69 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 742 T 8.53 4.86 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 1.23 0.00 0.00 743 I 8.70 4.45 1.51 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 0.78 0.89 0.62 0.00 0.00 744 S 8.40 5.08 0.00 3.85 3.75 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 0.00 745 V 8.49 4.50 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 0.89 0.00 0.00 0.80 0.00 0.00 746 D 8.88 4.64 0.00 2.84 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 0.00 747 R 9.02 3.96 0.00 1.83 2.00 0.00 3.25 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 748 Q 8.41 4.14 0.00 2.49 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 749 R 7.91 3.98 0.00 2.02 2.00 0.00 3.11 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 750 L 7.42 4.63 0.00 1.64 1.60 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 751 T 8.54 4.47 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 1.22 0.00 0.00 752 T 8.47 4.03 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 753 V 8.97 3.89 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 0.82 0.00 0.00 0.97 0.00 0.00 754 G 8.64 4.09 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 0.00 0.00 0.00 755 S 8.56 3.94 0.00 3.99 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 0.00 756 R 8.29 4.72 0.00 1.86 1.93 0.00 3.03 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 1.48 1.64 0.00 757 R 8.43 4.20 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00