NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 651 G 3.9240 8.3431 109.7378 45.7222 0.0000 173.5288 652 G 3.6356 8.3160 111.1499 44.5702 0.0000 172.1785 653 W 4.9798 7.5719 119.9772 56.2170 31.2363 174.0535 654 L 4.9970 9.1354 122.4338 53.8097 43.5967 175.4027 655 L 4.8471 8.7379 123.5264 55.2521 42.7060 176.2379 656 I 4.5042 8.7194 117.3524 60.6330 39.9990 174.6085 657 Q 4.4256 7.4065 121.7508 56.1969 32.5983 172.3192 658 Q 5.1651 8.1713 123.4114 55.4123 32.7640 172.7636 659 R 5.2450 8.7074 124.2341 55.0840 33.7460 175.8055 660 M 4.8028 10.2529 117.5879 56.2400 36.5251 175.6741 661 D 4.2133 8.0817 114.5001 53.2544 42.1870 175.8308 662 G 3.5138 7.6968 107.5293 45.9758 0.0000 174.9308 663 S 4.2119 8.7450 115.7895 59.7972 63.4648 174.2319 664 L 4.4603 8.1028 123.3423 53.3756 42.8135 175.3614 665 N 4.6053 8.6737 124.7464 53.6790 39.0958 174.4140 666 F 4.3865 8.8408 122.5463 57.6461 40.7487 175.3757 667 N 5.2692 7.9976 119.6891 52.0782 36.5271 173.0996 668 R 4.8672 7.9491 120.3560 53.3407 34.1923 175.9426 669 T 4.0649 8.0883 109.4622 60.7510 70.9082 175.0539 670 W 4.3790 8.8198 130.7401 61.1323 30.6376 177.9126 671 Q 4.0566 8.3057 118.6468 59.2768 28.5028 177.6668 672 D 4.4281 8.0937 119.5857 57.6917 40.7760 178.4215 673 Y 4.0317 8.3684 117.3674 60.6123 37.6341 178.3620 674 K 3.6753 8.1686 120.9884 59.3934 32.1135 178.9909 675 R 4.0621 7.8952 117.1027 56.4578 30.6492 177.5447 676 G 4.1366 8.4995 105.8777 45.1340 0.0000 172.6429 677 F 4.7960 8.0807 115.0101 56.0864 41.1709 175.3344 678 G 4.2103 9.9352 110.4417 45.7451 0.0000 172.4017 679 S 4.3986 7.6707 109.9846 57.6829 65.6913 174.0936 680 L 4.7527 7.8981 120.7907 52.9651 44.2608 175.6043 681 N 4.8894 8.1572 118.0020 50.8938 39.8421 175.1646 682 D 4.4053 8.8567 117.3065 57.9705 40.6913 178.8432 683 E 3.9552 8.0652 116.0080 57.8467 29.6082 178.0770 684 G 3.8566 9.0280 106.6440 45.5559 0.0000 172.8873 685 E 4.5311 10.0080 119.8208 54.7817 31.4660 174.7355 686 G 4.4632 8.1911 106.1315 43.7461 0.0000 172.9403 687 E 5.2402 8.4299 119.6719 54.8943 32.1815 175.2140 688 F 4.8112 8.6248 116.6558 56.3675 42.2770 172.2428 689 W 4.5652 7.9718 128.2405 55.2229 32.7042 175.3164 690 L 3.8829 7.9083 130.7397 58.4126 42.4531 176.7820 691 G 3.9901 7.2456 107.4963 44.4324 0.0000 174.3657 692 N 4.0138 9.1250 123.8080 56.0499 38.1172 177.4597 693 D 4.4999 7.6189 120.5374 57.7283 40.9526 178.2676 694 Y 4.1990 7.9691 119.4673 60.3570 38.5908 177.4453 695 L 3.7997 7.6827 120.9088 58.1115 42.3460 177.7945 696 H 4.4329 8.5025 118.6980 59.6350 29.7761 176.8748 697 L 3.8544 7.5642 120.3780 57.9024 41.3000 179.5439 698 L 3.9730 7.6698 116.8059 56.6608 41.7301 178.4027 699 T 4.4014 7.2830 114.5654 63.0798 68.8629 175.8864 700 Q 3.9418 7.5390 121.0426 58.7263 28.8128 178.0362 701 R 4.3169 7.7133 115.1621 55.6868 30.6495 177.2798 702 G 4.0346 9.7313 104.5038 45.8654 0.0000 172.6583 703 S 4.9557 7.6620 108.9948 57.7150 67.0437 174.2247 704 V 4.9215 8.3493 120.8585 61.2552 33.4383 173.9814 705 L 5.0551 9.3746 130.5825 53.6646 44.2416 174.8847 706 R 4.8447 9.3104 126.4918 54.5188 32.9372 173.9469 707 V 4.5979 8.7847 127.2501 61.3684 33.6373 174.1543 708 E 5.0206 8.8135 127.0304 54.4715 32.7239 175.0300 709 L 5.2192 8.5936 123.6785 52.9798 46.1316 175.2379 710 E 5.2361 8.8127 121.5641 55.0205 33.6689 174.6608 711 D 5.3486 9.0809 126.9296 51.6366 42.2856 177.0689 712 W 4.3493 9.3527 115.8546 57.7970 28.6237 176.9383 713 A 4.6560 8.3549 119.8954 51.5554 19.0488 177.2960 714 G 3.9529 8.2013 103.8387 46.3685 0.0000 174.0382 715 N 4.7965 8.6186 117.4894 52.9724 39.7963 174.1252 716 E 5.3597 8.6612 119.7536 55.0401 33.7556 174.5056 717 A 4.6099 8.0836 121.4874 51.2915 23.2442 174.6530 718 Y 5.0819 7.7538 115.4516 55.5743 42.0850 173.7569 719 A 4.7477 8.6770 121.0373 50.2793 23.0237 174.9622 720 E 5.3175 8.9121 121.0038 54.9816 33.5005 174.7992 721 Y 5.3051 9.0198 119.3136 56.8178 43.3993 173.9389 722 H 5.1889 9.2918 119.3518 55.9379 30.1907 174.5014 723 F 5.4700 9.5792 124.5512 56.8573 43.2360 173.3741 724 R 4.5246 8.6070 123.2869 54.2216 34.6937 174.1229 725 V 4.6117 7.9078 121.2767 60.8257 34.2085 175.6016 726 G 4.0687 9.0093 115.7506 45.7619 0.0000 172.6447 727 S 4.4927 8.8464 115.5910 57.1364 64.4616 175.1001 728 E 2.8279 8.6649 119.7518 58.9445 29.3790 178.5876 729 A 3.9372 7.9143 120.1732 55.0685 18.8548 177.5971 730 E 4.3134 7.9544 113.8714 56.1039 29.5865 177.2712 731 G 4.0763 8.5455 106.8683 46.3509 0.0000 173.8890 732 Y 4.6048 8.1441 113.2982 57.5409 36.1706 170.9142 733 A 4.6580 7.6040 119.1218 52.0690 20.2614 177.5938 734 L 4.0858 8.5840 123.8664 54.2848 43.6448 175.5853 735 Q 4.9740 8.6480 123.9432 54.5840 31.0523 174.7043 736 V 5.6405 9.0581 116.8584 58.7730 35.7922 174.9151 737 S 4.5544 8.7608 115.9592 57.5759 66.4788 173.4283 738 S 3.7545 8.6530 112.6677 59.1301 59.9061 172.6889 739 Y 3.9254 8.0037 119.1700 58.1141 39.5283 174.9602 740 E 3.9696 8.0841 122.9044 53.6280 33.0487 176.0842 741 G 2.6540 6.5756 106.6360 45.6550 0.0000 171.4225 742 T 4.3455 6.8424 114.5406 63.3430 70.5411 175.1530 743 A 3.8658 7.5808 122.7701 52.8598 18.7979 178.4706 744 G 4.1300 8.4916 101.3699 46.1276 0.0000 173.9085 745 D 4.3084 7.7258 120.9762 52.5517 39.8621 177.0681 746 A 4.1236 7.6219 124.8529 54.2021 19.5116 180.1199 747 L 4.0513 7.8319 115.8973 57.1235 42.2115 179.1057 748 I 3.9182 7.9139 117.6089 63.4466 37.6890 177.0277 749 E 4.1081 7.6785 115.9405 56.3085 30.2527 178.7568 750 G 3.7573 7.5296 106.8064 45.3676 0.0000 172.6252 751 S 4.7578 7.8952 114.4395 56.4746 65.0819 175.9245 752 V 3.6094 8.4101 116.7936 64.5592 31.7301 177.3148 753 E 4.1190 8.4340 116.7562 59.0223 29.0059 178.1522 754 E 4.5016 7.8819 115.0040 54.5907 28.6045 175.2185 755 G 3.8462 8.2580 112.2018 44.9904 0.0000 175.3954 756 A 4.0785 8.5567 121.6128 55.6025 18.7297 180.2256 757 E 3.7604 7.7711 114.0459 59.5703 29.6835 178.1408 758 Y 4.8126 7.8532 114.3912 58.3134 39.0814 176.8720 759 T 4.4598 7.1802 107.0167 60.6786 70.3230 174.4291 760 S 4.0713 8.0671 117.6577 59.4114 62.9095 173.4701 761 H 4.6814 9.2033 122.9944 56.1541 29.9012 174.8774 762 N 4.3512 7.9968 117.7320 55.0666 38.9830 174.2142 763 N 4.3437 9.0561 121.1041 54.0036 37.3984 174.3036 764 M 4.5513 7.7726 118.6480 54.9665 33.4945 176.1039 765 Q 4.8548 8.6735 120.0135 55.3775 30.9186 174.8975 766 F 4.3020 9.2649 124.0749 58.4325 40.0217 174.7343 767 S 5.4341 8.5336 121.0591 57.1233 67.3377 172.9375 768 T 5.0553 8.5732 110.6425 59.5651 71.9124 174.9878 769 F 4.3258 8.7967 116.2295 59.4240 37.9501 175.6976 770 D 4.7351 7.0399 118.3903 52.7387 39.6876 177.2294 771 R 4.2486 7.7643 121.4744 55.8026 30.6795 171.3030 772 D 4.8098 8.2637 121.4023 52.7656 41.5297 176.1959 773 A 4.5218 8.5734 132.2032 51.9106 19.7264 175.2735 774 D 4.9224 8.5012 121.1634 54.2173 41.7298 176.3603 775 Q 4.5845 8.6510 117.9231 55.6956 27.6907 175.4307 776 W 5.0272 8.9609 129.4130 55.4897 32.1846 177.1669 777 E 4.0232 8.7731 121.4824 58.4126 29.3486 176.2540 778 E 3.9275 5.9000 118.4978 54.3344 31.5888 174.9052 779 N 4.8737 7.5269 117.3031 51.7235 38.5497 176.0882 780 C 4.3226 9.5834 123.3917 60.2310 34.6088 176.0822 781 A 3.8732 7.7173 121.2132 54.8574 17.7443 179.1223 782 E 3.9447 8.0518 116.8851 59.5641 29.8391 178.9150 783 V 3.1601 7.0470 115.4030 65.5177 31.7285 176.9588 784 Y 4.2840 8.3819 114.5695 58.1326 37.8161 176.6843 785 G 4.0531 9.3065 108.4830 45.4199 0.0000 172.9268 786 G 4.4905 7.2521 105.9558 43.6934 0.0000 172.1257 787 G 3.1800 8.1255 106.0744 44.9142 0.0000 173.0022 788 W 3.6763 6.6984 131.3060 55.7988 34.9393 174.0179 789 W 5.1542 6.7252 123.1433 54.8569 26.1718 176.0447 790 Y 4.3603 7.7556 119.1433 59.5795 38.6986 173.9481 791 N 4.6210 9.6737 119.7107 53.5376 40.5431 175.5628 792 N 5.2049 5.8402 111.7609 53.2279 41.2936 171.8046 793 C 4.6741 7.5652 119.1609 57.9681 43.1933 174.4486 794 Q 4.8445 7.2968 113.1289 55.2254 30.6846 173.2060 795 A 4.7281 8.7578 118.8286 52.1353 21.9413 175.9146 796 A 4.7949 7.8185 114.7695 50.8557 22.9141 176.3082 797 N 3.1400 8.8962 118.3721 52.6104 40.7940 175.1081 798 L 4.1054 7.0272 125.6014 56.2777 42.2064 177.7361 799 N 4.5261 7.6535 116.4989 52.9091 38.7365 175.7377 800 G 4.1533 7.3143 106.6597 45.0676 0.0000 173.1049 801 I 4.0186 8.2981 121.0673 60.9667 38.4063 175.3580 802 Y 3.9352 8.4719 128.4284 57.2491 38.7660 174.0263 803 Y 4.4694 7.7660 125.4660 55.3526 38.9015 174.4589 804 P 4.0808 0.0000 0.0000 63.4625 32.2534 175.3737 805 G 3.2601 5.3800 107.5282 44.3424 0.0000 174.3535 806 G 3.3375 7.7264 105.2676 44.2147 0.0000 175.6978 807 S 4.7567 8.7079 112.6949 59.3105 64.0925 174.0201 808 Y 4.7260 8.3146 120.0627 55.5569 42.0137 173.3703 809 D 4.7981 8.4568 120.9506 51.8037 42.5693 174.8578 810 P 5.2326 0.0000 0.0000 65.3421 31.3083 178.5795 811 R 3.9555 8.4027 117.0237 58.2569 29.9506 176.8370 812 N 4.6945 8.2780 114.7250 53.1408 38.9715 174.5970 813 N 4.9544 8.1340 117.3675 52.0401 40.5462 173.9774 814 S 4.7385 7.9803 113.1230 56.5830 65.3717 172.2532 815 P 4.2859 0.0000 0.0000 63.0855 31.3254 175.6992 816 Y 4.8673 7.1841 115.8287 56.3293 41.0391 176.2002 817 E 4.6359 8.6678 125.2178 54.5113 28.2159 175.1282 818 I 4.6357 7.2329 113.5923 59.3814 41.0408 176.5814 819 E 4.7982 8.8331 121.6908 54.9960 27.6573 176.3781 820 N 5.1847 8.2632 119.3818 52.4493 38.2695 176.7640 821 G 4.4271 8.0481 109.1067 44.6285 0.0000 173.4018 822 V 4.1472 8.2028 119.5557 62.5580 31.5104 175.2599 823 V 4.8863 8.5165 127.1314 60.9755 35.6512 174.5374 824 W 5.0641 8.7647 135.0000 55.9043 32.2862 175.1917 825 V 3.6665 8.6745 121.3790 64.4551 31.2347 178.7084 826 S 4.5188 8.0980 109.9971 59.1702 63.2566 173.8810 827 F 4.9820 8.4535 122.4481 59.9317 40.1453 176.3997 828 R 4.0993 8.1129 114.8992 55.0675 31.5367 176.6108 829 G 4.0156 7.9796 102.7706 45.2917 0.0000 174.0340 830 A 4.2591 8.3242 121.7026 53.9759 19.0024 177.9741 831 D 4.2524 7.9221 115.4812 53.0158 40.8466 175.2427 832 Y 5.0650 8.1276 119.9063 56.9354 41.3500 174.0696 833 S 5.0146 9.0248 122.7422 57.1895 64.0506 173.5950 834 L 4.6947 8.4952 127.1762 54.5632 42.5559 177.1821 835 R 3.4043 8.1827 122.4981 58.5918 30.4559 176.5334 836 A 5.1249 7.6647 119.4889 50.2140 22.9419 174.8701 837 V 5.0263 8.6581 119.5818 60.5812 35.4174 173.8522 838 R 5.1980 8.9109 117.8134 55.4286 33.3819 173.3704 839 M 5.3074 8.9134 120.0629 53.4115 35.2234 174.9873 840 K 5.1467 9.1093 122.5025 55.0339 36.3516 175.2668 841 I 5.3132 9.1866 116.0254 59.3277 41.6199 174.5040 842 R 4.6293 9.2294 123.5697 53.7134 31.8113 172.1999 843 P 4.5671 0.0000 0.0000 61.7308 31.1695 177.7876 844 L 4.3096 8.0844 127.7774 53.5722 39.0239 178.3465 845 V 3.7513 7.7629 119.3708 65.0911 32.6675 175.2762 846 T 4.7216 6.6365 110.5745 59.9621 70.6247 174.3444 847 Q 4.2581 8.9270 119.7215 56.8898 28.3734 172.9608 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 651 G 8.34 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 0.00 652 G 8.32 3.64 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 0.00 0.00 0.00 653 W 7.57 4.98 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 0.00 654 L 9.14 5.00 0.00 1.78 1.79 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 655 L 8.74 4.85 0.00 1.78 1.90 0.95 1.06 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 0.00 656 I 8.72 4.50 1.56 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 1.17 0.69 0.91 0.00 0.00 657 Q 7.41 4.43 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.77 2.81 0.00 658 Q 8.17 5.17 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 659 R 8.71 5.24 0.00 1.82 1.79 0.00 2.95 0.00 0.00 2.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 660 M 10.25 4.80 0.00 2.00 2.10 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 2.49 2.48 0.00 661 D 8.08 4.21 0.00 2.67 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 0.00 662 G 7.70 3.51 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 0.00 0.00 0.00 663 S 8.74 4.21 0.00 3.94 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 0.00 664 L 8.10 4.46 0.00 2.03 1.90 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 665 N 8.67 4.61 0.00 2.70 2.63 0.00 0.00 7.01 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 0.00 666 F 8.84 4.39 0.00 3.27 3.33 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 0.00 667 N 8.00 5.27 0.00 2.88 2.93 0.00 0.00 6.94 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 0.00 668 R 7.95 4.87 0.00 1.30 1.67 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.05 0.00 669 T 8.09 4.06 4.39 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 1.26 0.00 0.00 670 W 8.82 4.38 0.00 3.50 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 0.00 671 Q 8.31 4.06 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 672 D 8.09 4.43 0.00 2.77 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.37 4.03 0.00 2.89 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 0.00 674 K 8.17 3.68 0.00 1.58 1.95 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.64 7.81 675 R 7.90 4.06 0.00 1.98 2.00 0.00 3.22 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 676 G 8.50 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 0.00 0.00 0.00 0.00 677 F 8.08 4.80 0.00 3.10 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 0.00 678 G 9.94 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 0.00 679 S 7.67 4.40 0.00 3.95 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 0.00 680 L 7.90 4.75 0.00 1.16 1.37 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 681 N 8.16 4.89 0.00 2.91 2.93 0.00 0.00 7.31 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 0.00 682 D 8.86 4.41 0.00 2.66 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 0.00 683 E 8.07 3.96 0.00 2.05 2.01 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 2.30 2.25 0.00 684 G 9.03 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 0.00 685 E 10.01 4.53 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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