NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 703 M 4.4143 8.3049 118.1948 55.1982 32.5708 173.4025 704 I 4.0818 8.0974 119.5927 57.6257 38.1198 173.6443 705 P 4.5399 0.0000 0.0000 62.6245 32.9541 175.9574 706 S 5.0517 8.4782 116.1302 58.6131 64.0278 173.3153 707 I 4.7452 8.7504 114.6713 59.4289 41.3458 174.5192 708 T 4.5208 8.3882 119.8808 62.9236 68.2664 174.7054 709 A 3.9356 8.6035 130.0484 54.3222 19.4934 176.9562 710 Y 4.5469 7.6124 114.6032 56.8582 42.5614 174.2950 711 S 4.7644 7.6215 121.1369 58.0444 64.0142 172.8086 712 K 4.2266 9.3788 126.3161 56.5088 35.2844 175.0110 713 N 4.3273 9.9001 121.2534 54.4291 36.1703 175.6134 714 G 3.9497 8.3830 105.7830 44.7416 0.0000 173.0205 715 L 4.9395 7.9459 123.1595 53.3959 43.9222 174.9874 716 K 5.1095 9.1198 127.4013 54.6597 35.6546 174.6093 717 I 4.9443 9.2634 130.2282 60.3515 40.2636 174.8707 718 E 4.9711 9.1118 125.8865 55.1246 32.1964 171.3972 719 F 5.4593 9.2774 122.4791 55.4446 41.6617 174.6874 720 T 4.8853 8.5496 114.0434 59.8636 71.5693 173.3291 721 F 5.5272 8.7036 120.6732 56.1747 43.0028 174.1643 722 E 4.8505 9.0820 120.0407 54.9844 34.2758 174.4747 723 R 4.5288 8.5870 123.7620 55.7441 31.1063 176.0448 724 S 4.3954 8.7410 120.8774 58.6053 62.6902 173.9298 725 N 4.6232 8.8423 121.5724 55.0995 39.1712 176.6897 726 T 4.1578 7.9252 114.5114 64.8982 69.3663 174.6397 727 N 4.8482 7.7763 120.5882 50.9366 40.7711 172.5586 728 P 4.4950 0.0000 0.0000 64.4218 31.8037 176.9531 729 S 4.5219 8.7338 115.6060 58.7661 63.4607 173.1489 730 V 4.9957 7.8824 122.0908 61.4116 33.7036 174.3898 731 T 4.9917 8.7546 123.8846 61.7837 71.8211 173.1189 732 V 4.4669 9.1776 126.7586 61.5479 33.3146 174.2832 733 I 4.6723 8.9115 129.9934 60.0471 39.2984 174.9029 734 T 4.8386 8.5922 124.5613 61.7356 70.4618 173.8671 735 I 4.6261 8.7529 121.2807 60.1355 40.0435 174.9718 736 Q 4.8776 9.2556 122.6251 54.2787 32.4602 173.8445 737 A 5.1996 8.9470 126.9918 50.1566 21.3939 175.6013 738 S 4.8926 8.9912 116.3116 56.4563 67.5078 172.8543 739 N 5.2955 8.4460 118.6268 52.1729 41.4569 174.1574 740 S 4.8216 9.2037 121.5032 58.8115 64.8201 174.2907 741 T 4.5082 8.3439 112.6695 60.8516 70.6495 175.4096 742 E 4.5049 9.0034 119.6781 57.8052 29.8126 177.0604 743 L 4.8986 7.6669 118.2700 52.4308 45.0460 176.4572 744 D 4.6644 8.9149 122.5814 55.1089 41.9544 175.7778 745 M 4.9152 8.9293 122.0889 54.4111 33.6932 175.8054 746 T 4.8215 9.0195 114.6183 59.2652 72.3862 173.7609 747 D 4.5283 8.5634 118.4271 55.1899 38.5251 174.1964 748 F 4.7394 8.5334 120.6655 58.1433 40.6527 175.1302 749 V 4.3999 8.2476 125.4621 61.1230 34.7745 173.4222 750 F 5.0283 8.9440 130.1181 56.8328 40.6774 174.5694 751 Q 4.7259 8.3290 123.8831 54.2505 32.8984 174.0728 752 A 5.0017 8.1017 120.2536 50.9386 22.5562 175.5116 753 A 4.7272 8.8011 120.4631 50.4763 22.9816 175.7785 754 V 4.5937 8.1401 112.6645 58.3825 35.9661 173.7817 755 P 4.4614 0.0000 0.0000 62.3342 31.8676 177.7074 756 K 3.8891 8.8666 119.8047 60.1685 31.9380 178.5942 757 T 4.0358 7.9579 106.3750 63.2165 69.2352 174.3404 758 F 4.9385 8.2746 120.9340 56.6115 40.9193 175.0978 759 Q 4.8511 8.8529 118.5103 54.2026 32.6176 174.5115 760 L 5.3055 8.4633 122.4107 53.4599 45.7936 175.2543 761 Q 4.5285 9.2133 125.8293 54.2779 32.2854 173.1939 762 L 5.0658 8.6253 128.4325 53.5061 43.6135 175.9224 763 L 4.5491 8.5445 126.6312 53.4383 43.3007 176.9329 764 S 4.2165 8.4917 116.8945 58.1083 63.2457 173.1089 765 P 4.7137 0.0000 0.0000 62.1692 32.1043 176.5266 766 S 4.2669 8.4883 114.0401 60.8323 63.2767 173.7608 767 S 4.5187 7.4467 112.9338 58.2055 65.0147 174.2009 768 S 4.8702 8.5610 113.5446 58.2718 64.3318 173.7914 769 V 4.7664 7.8424 120.5654 61.0206 33.7920 174.9970 770 V 4.0713 8.5956 129.1452 60.8025 32.2574 173.3285 771 P 4.9595 0.0000 0.0000 62.1918 31.9824 176.1912 772 A 4.1762 9.0451 123.7906 52.9260 19.6684 177.8640 773 F 3.7901 9.3404 116.0643 58.1265 36.9967 175.3472 774 N 4.2407 8.1277 116.4951 54.8854 36.0567 175.4911 775 T 4.3815 7.7444 105.5845 60.7705 69.1559 174.2482 776 G 3.8863 6.4352 110.2028 46.3907 0.0000 171.2403 777 T 4.7746 7.9033 108.5693 60.3101 72.5333 172.8733 778 I 4.4246 8.2870 121.9661 59.9530 39.4911 175.2878 779 T 5.4884 8.6077 122.8227 61.1146 71.6238 172.9818 780 Q 4.8141 8.3014 124.8996 54.7476 33.0820 172.8742 781 V 4.7412 8.3370 123.9831 61.1406 34.6578 174.0929 782 I 4.9347 8.6423 127.7864 59.4661 40.3833 174.4115 783 K 4.9900 9.1406 126.6567 54.6796 34.8020 175.4378 784 V 4.7808 8.7026 124.1280 61.0460 34.5454 173.6960 785 L 4.9428 9.2321 130.8436 53.7531 43.6285 174.9448 786 N 5.3073 8.8513 125.4919 51.1778 38.1690 172.7365 787 P 4.2864 0.0000 0.0000 64.3004 32.3512 178.1319 788 Q 4.3594 7.7782 116.2087 54.5093 29.0988 175.4131 789 K 3.8664 7.3548 116.3134 57.4762 30.1980 174.7526 790 Q 4.3089 7.8116 116.1187 54.4995 30.2002 176.1797 791 Q 2.0000 7.8535 120.7792 55.1446 29.4375 175.3427 792 L 3.8197 6.7430 127.1882 54.5037 42.9494 175.4622 793 R 5.0176 7.3056 119.8717 55.8815 32.5758 173.2513 794 M 4.9481 8.9430 118.0401 54.5081 36.6836 173.1642 795 R 5.1335 8.8909 123.4559 54.5580 32.9244 174.2439 796 I 4.7085 8.8709 120.5623 59.1248 40.7733 174.5710 797 K 4.7890 8.4709 124.6656 54.7407 35.3636 174.5998 798 L 4.9103 8.8672 127.8705 53.1815 44.4744 175.7188 799 T 5.1345 8.0278 119.9495 62.0289 72.6769 172.6471 800 Y 5.1963 8.0870 122.1683 56.8807 42.1648 172.1877 801 N 5.5048 9.1056 117.3745 51.9709 41.3484 174.0473 802 H 5.0111 9.2712 122.5548 55.4900 33.9517 173.4336 803 K 3.8774 9.8688 124.4789 57.3950 29.6112 176.3709 804 G 3.9905 8.5901 106.7484 45.3734 0.0000 174.3637 805 S 4.6694 7.7995 115.7669 56.4806 64.8308 173.0399 806 A 4.3712 8.3753 125.3625 52.1727 18.8795 176.7466 807 M 4.5603 8.8349 122.8949 53.6719 35.1756 175.1527 808 Q 4.9607 8.1179 122.2869 55.0918 32.4020 172.9218 809 D 4.9322 9.1261 125.2138 52.5233 45.1953 173.7160 810 L 5.3387 8.5540 123.6032 53.1693 44.4677 175.4636 811 A 4.7594 9.0627 123.2772 51.0433 23.1669 174.8124 812 E 5.0090 8.7333 118.4818 54.9314 32.1964 176.3588 813 V 4.1860 9.2036 123.0147 61.2603 33.5300 175.0159 814 N 5.1094 8.7714 124.0816 52.8873 39.5182 174.7545 815 N 5.0670 7.8796 114.6889 52.3859 37.9196 174.7116 816 F 4.3232 8.3363 117.8236 57.5321 39.9401 173.8127 817 P 4.5074 0.0000 0.0000 61.8444 32.1514 175.4209 818 P 2.9700 0.0000 0.0000 65.6880 30.8934 178.8719 819 Q 3.7844 7.7065 115.2605 58.2831 28.6704 178.1177 820 S 4.3481 7.9750 114.1778 59.3802 63.3375 175.0787 821 W 5.2050 7.5425 116.1009 56.9862 30.7601 174.7532 822 Q 4.1928 7.5379 123.5565 56.2521 28.3774 175.2535 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 703 M 8.30 4.41 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 704 I 8.10 4.08 2.01 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 1.46 0.75 0.72 0.00 0.00 705 P 0.00 4.54 0.00 2.23 2.08 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 1.99 1.98 0.00 706 S 8.48 5.05 0.00 3.85 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 0.00 707 I 8.75 4.75 1.86 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 1.47 0.84 1.10 0.00 0.00 708 T 8.39 4.52 4.18 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 1.15 0.00 0.00 709 A 8.60 3.94 0.26 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 0.00 0.00 0.00 710 Y 7.61 4.55 0.00 3.07 2.78 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 0.00 711 S 7.62 4.76 0.00 3.79 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.38 4.23 0.00 1.20 1.19 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.29 7.81 713 N 9.90 4.33 0.00 3.07 3.00 0.00 0.00 7.10 7.65 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 0.00 714 G 8.38 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 0.00 0.00 0.00 715 L 7.95 4.94 0.00 1.71 1.93 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 716 K 9.12 5.11 0.00 1.81 1.58 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.36 7.81 717 I 9.26 4.94 1.98 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.11 1.07 0.00 0.00 718 E 9.11 4.97 0.00 1.65 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 2.17 2.15 0.00 719 F 9.28 5.46 0.00 2.57 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 0.00 720 T 8.55 4.89 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 0.00 721 F 8.70 5.53 0.00 2.94 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 0.00 722 E 9.08 4.85 0.00 1.93 1.82 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 2.27 2.30 0.00 723 R 8.59 4.53 0.00 1.84 1.84 0.00 3.50 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 724 S 8.74 4.40 0.00 3.94 4.06 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 0.00 725 N 8.84 4.62 0.00 2.76 2.86 0.00 0.00 6.95 7.54 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 0.00 726 T 7.93 4.16 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 1.22 0.00 0.00 727 N 7.78 4.85 0.00 2.66 2.64 0.00 0.00 6.92 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 0.00 728 P 0.00 4.50 0.00 2.22 2.16 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 729 S 8.73 4.52 0.00 4.05 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 0.00 730 V 7.88 5.00 2.25 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 1.07 0.00 0.00 0.96 0.00 0.00 731 T 8.75 4.99 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 1.49 0.00 0.00 732 V 9.18 4.47 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 0.95 0.00 0.00 0.95 0.00 0.00 733 I 8.91 4.67 1.69 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.67 0.17 0.00 0.00 734 T 8.59 4.84 4.14 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 0.00 0.00 1.13 0.00 0.00 735 I 8.75 4.63 1.73 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.46 0.23 0.00 0.00 736 Q 9.26 4.88 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 737 A 8.95 5.20 0.92 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 0.00 738 S 8.99 4.89 0.00 3.80 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 0.00 739 N 8.45 5.30 0.00 2.69 2.85 0.00 0.00 6.63 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 0.00 740 S 9.20 4.82 0.00 3.90 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 0.00 741 T 8.34 4.51 4.38 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 1.31 0.00 0.00 742 E 9.00 4.50 0.00 2.07 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 0.00 2.71 2.50 0.00 743 L 7.67 4.90 0.00 1.48 1.49 0.87 0.78 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 0.00 744 D 8.91 4.66 0.00 2.59 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 0.00 745 M 8.93 4.92 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 746 T 9.02 4.82 4.31 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 1.26 0.00 0.00 747 D 8.56 4.53 0.00 2.85 2.78 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 0.00 748 F 8.53 4.74 0.00 3.05 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 0.00 749 V 8.25 4.40 1.96 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 0.84 0.00 0.00 0.92 0.00 0.00 750 F 8.94 5.03 0.00 3.22 3.15 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 0.00 0.00 0.00 751 Q 8.33 4.73 0.00 1.77 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.44 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 752 A 8.10 5.00 1.19 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 0.00 0.00 753 A 8.80 4.73 1.17 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 0.00 754 V 8.14 4.59 1.59 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 0.62 0.00 0.00 0.93 0.00 0.00 755 P 0.00 4.46 0.00 2.42 2.03 0.00 2.85 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 756 K 8.87 3.89 0.00 2.03 1.93 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.03 7.81 757 T 7.96 4.04 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 1.22 0.00 0.00 758 F 8.27 4.94 0.00 2.91 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 0.00 759 Q 8.85 4.85 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 760 L 8.46 5.31 0.00 1.60 1.50 0.99 0.68 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 0.00 761 Q 9.21 4.53 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 762 L 8.63 5.07 0.00 1.71 1.58 1.12 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 763 L 8.54 4.55 0.00 1.65 1.58 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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