NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 696 G 3.9267 8.3549 109.7373 45.3542 0.0000 172.9838 697 E 4.3208 8.4121 121.4462 53.6626 31.0727 174.7224 698 A 4.1960 8.2081 126.5100 51.0461 20.1530 175.1442 699 P 4.2519 0.0000 0.0000 62.5520 31.9416 176.0445 700 N 4.5367 8.6838 121.5026 53.3169 37.9038 173.7355 701 Q 4.5182 8.3259 124.2467 55.3132 29.3075 176.2829 702 A 4.0630 7.8643 120.4188 52.5176 18.8646 177.6579 703 L 4.4606 8.1567 119.8825 52.9933 42.9595 176.2335 704 L 4.2298 8.4061 126.1813 53.9823 42.5986 175.3048 705 R 4.4580 8.3947 127.1674 55.2933 31.6068 174.7712 706 I 4.6382 8.3960 127.5407 60.4660 38.3080 175.0114 707 L 5.0157 8.9950 127.6786 52.5094 43.9408 176.8991 708 K 4.0607 9.1828 123.3757 56.3547 32.4332 177.9316 709 E 3.4127 8.8072 124.6377 58.3334 29.6168 177.3156 710 T 4.1038 7.4440 106.5073 62.7412 69.7592 175.2012 711 E 4.3718 8.0333 121.7496 57.3286 29.8816 175.8507 712 F 5.5690 7.2427 113.6803 55.2120 41.1128 173.6094 713 K 4.6413 8.7267 120.9421 54.9679 34.7267 176.3220 714 K 4.8354 8.7077 123.7242 57.1317 32.7577 176.0533 715 I 4.5406 7.5433 117.5905 61.7380 44.6769 175.5979 716 K 4.3033 7.7090 122.3048 55.6704 34.5513 174.0127 717 V 3.7358 8.4166 125.6475 63.0177 31.9013 173.6944 718 L 4.5280 8.2191 121.9282 55.3575 43.4083 177.1668 719 G 4.1398 7.2738 103.6548 44.9085 0.0000 170.4690 720 S 4.3813 8.5617 113.4085 58.5835 65.9305 177.6969 721 G 3.6884 7.8941 114.7067 46.7608 0.0000 177.4516 722 A 3.6836 8.3949 122.7394 53.9210 21.6256 178.0285 723 F 4.7101 8.5576 113.6257 58.9833 42.2368 176.0414 724 G 4.4067 9.2828 114.9546 45.2223 0.0000 176.5106 725 T 4.1902 8.2276 122.8510 63.0637 71.6880 172.9125 726 V 4.5357 8.0425 127.6284 62.1111 33.6505 174.3654 727 Y 5.1186 8.9406 122.9631 55.8143 41.7099 174.8818 728 K 4.4857 8.9520 125.2363 56.9583 33.8894 175.9067 729 G 4.1974 8.6222 112.1097 45.8994 0.0000 171.4457 730 L 5.4644 9.0038 119.0429 52.4921 45.7807 176.2535 731 W 5.2075 8.7846 130.8500 56.1771 33.2537 174.4662 732 I 4.4364 8.8150 130.2230 57.7744 36.1262 174.0710 733 P 4.0431 0.0000 0.0000 64.0532 33.0553 178.1200 734 E 3.3769 8.4051 118.7211 56.3128 32.0035 178.8628 735 G 4.0453 8.8854 114.1070 43.9968 0.0000 171.7984 736 E 4.5563 8.2868 122.4271 54.7244 34.4672 176.3833 737 K 3.9764 8.1970 118.0286 57.3062 30.0880 175.0213 738 V 4.7443 6.9815 108.9530 58.8614 35.7662 174.8445 739 K 4.7218 8.4945 120.7758 54.7315 36.3789 175.6738 740 I 4.8627 8.1529 123.6495 57.5127 40.6503 173.1210 741 P 4.7866 0.0000 0.0000 63.2684 32.3330 176.1886 742 V 4.7825 8.9395 116.3982 59.6040 36.7039 174.0087 743 A 5.1137 8.9405 124.6544 50.5135 21.3247 175.8882 744 I 4.3740 8.7467 124.3519 59.8508 39.0541 175.0496 745 K 4.7737 9.1884 130.9413 54.6729 31.8008 172.6447 746 E 4.4686 8.4294 124.2867 54.6125 30.7415 175.0406 747 L 4.4583 8.7520 130.0221 54.2788 43.5709 174.6386 748 R 4.2433 7.8664 121.4847 58.1604 30.9599 178.2540 749 E 3.2846 9.6020 122.7136 57.8633 31.4556 176.5571 750 A 3.7388 8.2515 113.9830 51.8083 19.7936 179.7713 751 T 4.5334 8.1265 122.4783 62.1644 68.1822 175.4527 752 S 4.1707 8.0768 116.8245 59.2415 63.9343 175.1516 753 P 4.0745 0.0000 0.0000 64.6547 31.1016 177.7260 754 K 3.8652 8.2814 118.2412 59.6701 32.0063 178.4718 755 A 4.0187 9.7117 120.8369 55.0616 18.3764 179.4078 756 N 4.2838 8.0796 114.5208 56.4387 38.3809 177.3833 757 K 4.0234 7.9209 119.9465 58.7497 32.0006 178.2774 758 E 3.9694 7.5579 118.4147 59.1378 29.9282 178.3346 759 I 3.7458 7.8429 118.3017 63.6187 37.9552 177.7580 760 L 4.1491 8.0453 119.9099 57.2323 41.3604 179.0800 761 D 4.3603 7.6654 119.0304 57.3398 40.7732 178.1093 762 E 3.9989 7.9116 119.0968 59.8593 29.4698 179.6297 763 A 4.0301 8.0672 120.3058 54.8548 18.1608 178.8624 764 Y 3.9430 7.9059 117.7303 60.9780 39.1763 178.3624 765 V 3.5517 8.2392 119.2103 66.4096 31.4502 178.0133 766 M 3.7005 8.2926 118.3925 57.9943 31.4761 178.5698 767 A 4.0556 7.9020 120.3887 54.3438 18.6163 178.7775 768 S 4.3101 7.4376 111.3596 57.8694 63.5510 174.2928 769 V 4.4509 6.5601 114.1973 59.6701 33.4124 175.6713 770 D 4.3461 9.0179 123.3875 53.3094 42.2747 173.7757 771 N 4.5312 7.8229 123.1198 51.2585 41.6562 173.5612 772 P 4.2993 0.0000 0.0000 65.0580 31.6854 176.6625 773 H 4.9866 8.8633 116.1062 55.0392 29.4617 172.9645 774 V 4.9096 7.4200 118.4244 61.0412 34.4714 174.7198 775 C 4.2327 9.1913 126.3362 59.8248 28.7621 173.5081 776 R 3.9023 8.6913 125.2658 56.3998 30.7964 174.7069 777 L 4.5537 8.3575 129.3551 54.3194 42.4417 175.9880 778 L 4.2109 8.6971 127.1923 56.0821 42.9100 176.8401 779 G 3.9181 6.6700 104.1048 46.2239 0.0000 171.4505 780 I 5.0660 8.0173 112.9354 58.9890 41.5465 174.1461 781 C 4.9657 8.9939 122.4793 57.9082 34.4881 173.1637 782 L 4.6868 8.7556 127.5270 53.9243 39.6013 175.7406 783 T 4.2696 7.9797 112.0274 62.2573 69.8245 175.9583 784 S 4.5665 6.6320 125.0040 58.3864 67.7134 176.5785 785 T 4.2756 6.9641 114.6850 61.0767 68.6586 174.1300 786 V 4.4852 8.0911 127.6441 61.6411 32.3892 175.3649 787 Q 4.1742 8.5531 128.5491 55.7015 29.8449 175.2137 788 L 4.4984 8.4241 127.4131 54.2680 43.7400 175.2072 789 I 4.7755 8.3716 127.4585 59.7197 39.6060 174.8624 790 T 4.9966 8.6015 116.9390 58.9548 72.6998 173.0194 791 Q 4.2389 8.3827 123.4423 56.3420 29.4844 175.8738 792 L 3.9304 8.2398 129.3770 55.9077 42.7602 177.0885 793 M 4.4448 8.6139 127.2370 52.8672 31.0103 174.5940 794 P 4.1109 0.0000 0.0000 64.9747 31.7649 177.5468 795 F 4.4654 8.1899 114.1808 56.6277 40.0002 177.6915 796 G 3.8456 8.2536 111.0523 45.3253 0.0000 172.0791 797 C 3.9619 8.5836 117.6041 60.4787 33.0087 175.5665 798 L 3.9754 8.6221 128.2676 57.4287 41.6158 178.9401 799 L 4.0402 7.8202 120.2865 58.0225 42.0289 178.5216 800 D 4.3412 8.0205 118.4825 57.4494 40.9228 177.5218 801 Y 4.0718 7.9820 120.1036 61.1556 38.8060 178.9566 802 V 3.8717 8.1223 112.9681 64.5746 31.4497 178.7392 803 R 4.0505 7.7567 116.7530 58.8419 30.0148 177.7472 804 E 4.4031 8.3032 116.3189 56.5619 29.8974 176.0122 805 H 4.7407 7.8049 111.3943 56.9757 31.6455 176.4909 806 K 4.5971 7.6027 116.9636 58.9049 32.2872 177.3964 807 D 4.2846 7.7736 121.5302 56.5069 41.0726 176.9082 808 N 4.7934 9.0249 116.9425 53.0286 39.5477 173.7566 809 I 4.2963 8.1203 119.3222 60.5323 38.3593 175.3441 810 G 4.3115 8.4266 113.5615 42.9677 0.0000 173.6129 811 S 4.0476 8.3285 113.6140 61.8926 62.4656 176.7473 812 Q 3.7878 8.0290 122.1872 58.9923 28.7018 177.9725 813 Y 3.1707 7.9402 117.7062 60.6605 38.0471 178.0004 814 L 3.5994 7.4290 119.2332 57.8751 41.7856 179.6190 815 L 4.0722 7.9951 118.8861 57.7182 41.5265 179.2286 816 N 4.2620 7.8814 116.4991 56.1979 38.3919 177.3879 817 W 4.5239 8.0120 120.6166 59.9929 29.2335 178.3919 818 C 3.9512 7.8824 116.2853 62.6123 27.4903 176.1610 819 V 3.6027 7.7501 119.6528 66.2409 31.1519 177.8854 820 Q 3.7446 8.1433 117.5951 59.2198 28.6084 179.2817 821 I 3.7683 8.1497 120.5198 64.2338 37.1068 178.4292 822 A 3.8935 7.9504 121.4205 54.9166 18.1791 179.8187 823 K 4.0706 8.6545 117.6384 59.3822 32.0509 179.7959 824 G 3.6102 8.1086 105.9508 48.2269 0.0000 175.6878 825 M 3.7899 8.2559 122.2478 57.7597 31.6600 178.3708 826 N 4.3519 8.4374 117.5021 56.7101 38.7749 176.3977 827 Y 3.9365 7.9715 121.0273 60.7211 38.9807 177.5267 828 L 3.9975 8.2881 119.9833 57.7403 41.5465 179.4367 829 E 3.7886 7.9636 118.8014 59.5125 29.4893 178.2811 830 D 4.0828 7.7206 117.6906 56.9455 40.8096 178.6487 831 R 4.4017 6.9964 115.7548 54.8283 31.2150 176.0086 832 R 3.9578 8.4895 116.9865 57.2471 28.4934 175.6258 833 L 5.0683 8.4592 116.2050 53.0025 43.8377 176.4770 834 V 4.4834 8.4786 122.9314 61.2840 32.8180 176.0401 835 H 4.0516 9.7595 128.3591 58.1884 29.8431 176.5411 836 R 4.1532 8.2425 113.2650 57.1124 28.6215 175.7189 837 D 4.7822 8.1536 116.9652 53.2053 41.6806 175.0765 838 L 3.8325 8.2230 119.7001 54.7670 42.8831 175.2966 839 A 4.7321 8.1727 125.6117 52.2184 21.7495 176.6743 840 A 4.1431 8.9783 122.7639 54.8336 18.5795 180.5576 841 R 3.9766 7.9731 111.5951 58.6283 29.9554 176.8992 842 N 4.7932 8.0869 115.8489 52.8480 39.0553 173.7973 843 V 4.7160 7.5239 118.7485 61.1228 34.4464 174.5792 844 L 5.1097 9.0340 127.2942 53.0387 45.4902 175.5259 845 V 4.2119 8.0520 120.3083 61.4447 32.7262 176.2185 846 K 4.1124 9.0133 130.7281 58.5966 32.6259 176.6059 847 T 4.5576 7.2948 106.4109 59.0245 71.8236 172.7025 848 P 3.7141 0.0000 0.0000 64.7576 31.3521 177.4906 849 Q 4.4616 7.7804 114.8560 56.8740 29.1283 175.3149 850 H 4.9858 9.1507 120.3217 55.4303 32.4189 172.3976 851 V 4.9456 9.1721 119.2218 59.8713 34.6545 175.7546 852 K 4.8477 8.7664 120.5019 55.1926 36.9614 175.9340 853 I 4.3142 8.8148 125.9148 61.9343 38.3882 175.2754 854 T 4.5711 8.0000 119.9762 61.7189 70.9026 171.0774 855 D 4.1250 8.8730 122.2417 54.7850 38.6473 173.1173 856 F 4.4041 8.1874 120.6699 56.5886 39.8081 177.7638 857 G 3.7855 7.6669 107.0537 47.0647 0.0000 174.5742 858 R 4.4731 7.5029 113.9383 55.1441 33.2590 175.0686 859 A 4.5475 7.8734 120.9174 52.3414 19.0228 177.2000 860 K 4.7366 8.9225 119.4818 54.5305 37.5536 175.5111 861 L 4.7711 8.3286 120.9953 53.8272 43.0948 176.8143 862 L 4.1408 8.2582 125.0501 56.4670 42.5991 176.8491 863 G 4.0318 8.9767 112.4241 45.4598 0.0000 173.7310 864 A 4.4530 7.2287 121.9615 51.6731 20.4345 175.7503 865 E 4.4328 8.2735 113.9577 55.2828 33.4014 174.9222 *876 V 3.8350 8.2978 123.0326 62.2767 32.7273 173.9683 877 P 4.7071 0.0000 0.0000 61.2270 30.4125 176.1377 878 I 3.7323 8.1167 128.1379 65.2827 37.4854 178.3574 879 K 4.2000 8.4490 115.9000 57.6193 31.7288 177.1400 880 W 4.7435 8.3960 117.0507 56.3670 30.6594 175.2502 881 M 4.2867 7.9607 118.5871 53.5364 32.5317 176.4390 882 A 2.0000 7.6748 123.8529 51.3606 20.3792 178.6766 883 L 3.5216 6.8230 121.0703 58.0770 42.1780 178.6884 884 E 3.7109 7.9174 117.8494 59.2028 29.2900 179.5532 885 S 3.9479 7.2666 116.0044 60.5974 62.9205 176.3969 886 I 3.5980 6.7690 120.6924 64.0931 36.8302 178.1477 887 L 4.2396 7.6105 118.7773 56.8975 42.0539 177.7606 888 H 4.8827 7.8212 114.0793 55.8860 30.1300 173.9880 889 R 3.7075 7.8482 115.0090 56.7968 28.2275 176.5204 890 I 3.8887 7.3884 120.8780 61.6786 37.4173 175.0056 891 Y 4.7684 8.6615 122.3822 56.4513 41.0254 174.5406 892 T 4.7909 9.0789 118.2434 59.4942 71.3621 174.0379 893 H 4.4034 8.7961 120.2021 59.2148 28.5299 178.0039 894 Q 4.1021 8.2641 119.5186 58.7877 28.3635 178.5605 895 S 4.4222 8.1886 114.7829 60.7230 63.0595 176.2091 896 D 4.6468 8.1337 122.9454 57.2069 40.7710 178.3059 897 V 3.4753 7.9332 118.8715 65.7201 31.5736 177.4876 898 W 5.3190 8.2664 129.3883 60.5134 30.5587 178.1952 899 S 4.8373 8.5050 114.2913 61.2637 62.2781 175.9418 900 Y 4.3308 8.8183 123.4288 60.8351 38.5453 178.0016 901 G 3.7703 8.5997 106.7497 48.3875 0.0000 175.6618 902 V 3.8994 8.3489 120.8418 65.6778 31.0226 178.2821 903 T 4.2519 8.6533 116.0573 66.5889 68.2669 176.7697 904 V 3.4496 8.1466 120.4853 65.7735 31.6173 177.7104 905 W 4.2087 8.5356 128.1733 60.7082 30.3791 177.6416 906 E 4.1642 8.8698 118.6698 59.5449 28.9551 179.3879 907 L 3.9643 7.9689 118.9402 58.1102 41.4933 179.4795 908 M 3.8828 7.9332 117.6855 57.3939 31.8650 177.7335 909 T 4.1733 6.9220 108.2900 60.4101 69.2075 174.4007 910 F 3.6620 8.2039 117.7078 58.9273 37.4497 175.8046 911 G 3.9894 8.2551 104.8737 46.2547 0.0000 174.0759 912 S 4.6300 7.4102 114.6151 57.3339 64.7512 173.9911 913 K 4.7681 8.3718 120.2327 54.0492 33.6216 174.8894 914 P 3.3333 0.0000 0.0000 63.6009 31.6871 176.0675 915 Y 3.5046 7.5786 121.4886 58.1268 35.4566 170.0975 916 D 4.4020 8.0057 116.8295 56.1419 42.0192 174.2766 917 G 3.8166 8.6591 118.1649 44.4607 0.0000 173.3101 918 I 3.5011 5.9796 120.0595 60.1137 37.9249 174.1636 919 P 4.5573 0.0000 0.0000 61.5251 32.7375 176.7755 920 A 3.9708 8.7635 123.0997 55.5737 18.3882 180.2706 921 S 4.2364 8.0208 109.2309 61.4149 63.4860 176.1292 922 E 4.0313 8.3982 120.9235 58.9734 28.9980 178.9818 923 I 3.3753 7.1949 118.9370 64.6365 36.8141 178.2723 924 S 4.0374 7.9223 113.4890 60.4552 62.7823 176.0899 925 S 4.1422 8.1887 117.6810 61.0583 62.3086 175.4224 926 I 3.6384 7.6824 121.8774 64.9304 36.6473 178.1547 927 L 4.1874 7.8707 118.3524 57.5599 41.4814 178.7762 928 E 4.2027 7.5183 117.9100 58.4526 29.7684 178.2649 929 K 4.1685 8.2021 118.2950 57.6964 32.1247 177.8366 930 G 4.1216 7.5138 105.8837 44.9173 0.0000 173.6053 931 E 4.1218 7.9120 120.2434 56.1755 30.2547 175.7486 932 R 4.5602 7.9961 122.2377 54.3978 34.3413 174.6349 933 L 3.8772 7.3900 118.0109 53.7813 42.0892 175.5520 934 P 4.5254 0.0000 0.0000 62.1370 32.0792 175.9194 935 Q 2.9236 8.1618 120.8426 55.4496 29.0800 174.7564 936 P 4.2492 0.0000 0.0000 62.2221 32.1563 175.8990 937 P 4.1202 0.0000 0.0000 65.7459 31.5855 177.5974 938 I 4.0634 7.7763 109.9209 62.3390 37.9895 174.8657 939 C 4.7550 8.3077 121.1033 58.6038 28.8776 173.8403 940 T 4.0902 8.1613 115.2543 61.3284 69.1668 175.2686 941 I 3.8546 8.3340 122.0254 64.0822 37.6647 178.0048 942 D 4.3008 8.0635 118.9129 57.2922 41.0204 178.1686 943 V 3.5921 7.4632 117.8225 66.3883 31.4870 177.5004 944 Y 4.1264 8.1938 119.0926 60.7882 38.5848 177.3077 945 M 3.7418 8.4289 119.7211 58.6258 31.9507 178.3989 946 I 3.5639 7.4927 119.4144 64.2227 37.6639 177.6235 947 M 3.4439 7.7174 119.0921 58.3558 31.5960 178.5526 948 V 3.1350 6.9383 117.9514 66.1285 31.6432 178.2809 949 K 3.8651 7.6407 117.7557 59.3145 31.8610 178.5913 950 C 4.3704 7.5309 115.1263 60.7977 27.5817 174.6456 951 W 3.5564 7.2763 119.7872 55.8924 29.4368 175.2344 952 M 4.2310 7.4621 118.3518 56.1177 32.2283 176.2738 953 I 4.1506 8.2931 122.0583 63.4652 38.0907 175.8819 954 D 4.3580 8.0462 121.3889 54.0805 40.7163 175.8118 955 A 4.0807 8.9591 130.9455 55.6704 18.2824 178.9465 956 D 4.6075 8.1479 112.0647 56.1367 41.0911 177.3714 957 S 4.4065 8.0951 115.0466 59.6534 63.3898 174.9228 958 R 4.2502 7.5301 119.3795 55.4536 30.2814 174.3536 959 P 4.6486 0.0000 0.0000 61.7716 32.7145 175.3368 960 K 4.2433 8.9775 118.6123 55.0493 33.2813 178.3160 961 F 4.0511 8.3363 121.8863 61.0330 38.6785 178.3703 962 R 4.0095 8.0784 114.4952 58.4604 29.2865 178.4369 963 E 4.0516 9.1790 120.6778 58.8907 29.9006 178.1738 964 L 4.0581 7.9394 118.5177 58.1793 41.6422 179.4436 965 I 3.7657 8.0736 119.4865 64.5662 37.0513 178.2737 966 I 3.7001 7.4912 120.2872 64.5772 37.0314 178.3801 967 E 3.8002 8.8998 119.6908 59.6200 29.3740 179.6307 968 F 4.0064 8.3133 117.6177 60.2943 38.6451 177.8195 969 S 4.1429 8.0255 112.4619 61.1128 62.5099 175.9331 970 K 4.0509 8.3055 121.5945 59.9435 31.8540 179.2400 971 M 3.4993 7.8358 118.4429 57.9965 31.5194 178.3826 972 A 4.1746 8.1771 119.7710 54.1275 18.5898 178.9885 973 R 4.2442 7.7633 115.5996 56.9923 31.9568 176.3463 974 D 4.8325 8.0362 117.8585 51.5541 41.4060 173.6815 975 P 4.4653 0.0000 0.0000 65.3903 32.0517 178.6949 976 Q 4.2260 7.8731 114.9479 57.1862 29.1549 176.8565 977 R 3.8222 7.9659 117.6033 58.0922 30.2610 176.2044 978 Y 4.7489 7.6872 113.2967 57.6695 41.3295 175.3213 979 L 5.0085 8.2222 118.5025 52.8866 45.0031 176.8727 980 V 4.1743 8.6397 124.7598 61.4303 31.7773 174.3260 981 I 4.4341 7.9029 128.0434 58.6018 39.5198 174.9370 982 Q 3.9864 8.7706 126.2281 57.6814 29.1643 175.9998 983 G 3.8359 8.8865 114.3744 46.6184 0.0000 174.7449 984 D 4.4032 7.9383 119.4328 56.8385 41.5317 177.1902 985 E 4.0332 8.1327 116.2924 59.0091 29.7219 178.2256 986 R 4.4606 7.2070 115.5520 54.0365 28.1287 174.8113 987 M 4.6733 7.8559 121.9071 55.5607 35.9748 175.1424 *988 H 5.1119 8.7836 120.0282 52.4803 31.6405 169.4427 989 L 4.8801 7.8875 121.2113 52.0073 44.9880 174.2465 990 P 4.1810 0.0000 0.0000 60.5730 32.8730 174.0996 991 S 4.4249 7.9434 111.5762 60.0995 64.5898 174.6707 *1002 M 4.4527 7.6476 118.1977 54.6507 33.4016 176.1329 1003 D 4.6013 8.4005 117.6008 55.4022 40.9974 177.8259 1004 E 4.1372 5.9000 119.2565 56.3296 30.5847 179.0647 1005 E 4.5436 8.6344 111.3881 59.5562 31.4156 174.0162 1006 D 4.8441 7.8747 118.0484 53.4976 38.7531 179.4510 1007 M 4.6191 7.7637 115.9170 56.4517 32.6947 178.0635 1008 D 4.5171 8.1723 121.1030 56.4522 41.7174 176.9683 1009 D 4.8666 7.7892 116.2739 53.6306 42.7186 176.4523 1010 V 4.1775 7.8558 119.8104 63.3764 32.0731 175.2211 1011 V 4.5572 8.4953 127.2768 60.9473 34.9512 174.3555 1012 D 4.6906 8.6565 125.1241 53.3962 42.2313 176.7665 1013 A 4.1640 8.8422 127.5711 55.7117 18.4317 179.7802 1014 D 4.3683 8.2949 114.3011 56.7483 40.8994 177.0571 1015 E 4.4118 8.2938 116.6651 55.9945 30.0675 174.9052 1016 Y 4.5616 8.0740 121.6292 55.9312 39.1150 174.5896 1017 L 4.7253 7.7519 126.4497 52.6968 45.0839 176.0364 1018 I 4.3841 7.7809 121.2576 58.3674 39.9812 174.0871 1019 P 4.3718 0.0000 0.0000 63.2451 30.8611 176.0216 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 696 G 8.35 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 0.00 697 E 8.41 4.32 0.00 2.05 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 2.25 2.33 0.00 698 A 8.21 4.20 1.23 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 0.00 0.00 699 P 0.00 4.25 0.00 2.20 2.08 0.00 3.76 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 1.99 1.95 0.00 700 N 8.68 4.54 0.00 2.72 2.85 0.00 0.00 7.06 7.08 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 0.00 701 Q 8.33 4.52 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 702 A 7.86 4.06 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 0.00 703 L 8.16 4.46 0.00 1.63 1.62 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 704 L 8.41 4.23 0.00 1.58 1.59 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 705 R 8.39 4.46 0.00 1.95 1.86 0.00 3.35 0.00 0.00 3.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 706 I 8.40 4.64 1.90 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 1.36 0.97 0.93 0.00 0.00 707 L 9.00 5.02 0.00 1.52 1.83 0.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 708 K 9.18 4.06 0.00 2.02 1.75 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.44 7.81 709 E 8.81 3.41 0.00 1.81 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 1.97 1.93 0.00 710 T 7.44 4.10 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 1.13 0.00 0.00 711 E 8.03 4.37 0.00 2.62 2.53 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 2.52 2.36 0.00 712 F 7.24 5.57 0.00 3.27 3.30 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 0.00 713 K 8.73 4.64 0.00 1.88 1.97 0.00 1.34 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.44 7.81 714 K 8.71 4.84 0.00 1.69 1.92 0.00 1.37 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.45 7.81 715 I 7.54 4.54 1.93 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 1.15 0.26 0.94 0.00 0.00 716 K 7.71 4.30 0.00 1.78 1.64 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 1.21 7.81 717 V 8.42 3.74 1.94 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 0.59 0.00 0.00 0.66 0.00 0.00 718 L 8.22 4.53 0.00 1.44 1.56 0.91 0.73 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 0.00 719 G 7.27 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 0.00 720 S 8.56 4.38 0.00 3.75 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 0.00 721 G 7.89 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 0.00 0.00 0.00 722 A 8.39 3.68 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 0.00 723 F 8.56 4.71 0.00 3.12 2.65 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 0.00 0.00 0.00 0.00 724 G 9.28 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 0.00 0.00 0.00 0.00 725 T 8.23 4.19 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 1.09 0.00 0.00 726 V 8.04 4.54 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 1.04 0.00 0.00 0.94 0.00 0.00 727 Y 8.94 5.12 0.00 2.93 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 0.00 728 K 8.95 4.49 0.00 1.87 1.70 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.42 7.81 729 G 8.62 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 0.00 730 L 9.00 5.46 0.00 1.63 1.59 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 731 W 8.78 5.21 0.00 3.30 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 0.00 732 I 8.81 4.44 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.09 0.86 0.00 0.00 733 P 0.00 4.04 0.00 2.06 1.14 0.00 3.16 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.50 0.00 734 E 8.41 3.38 0.00 2.07 1.49 0.00 0.00 0.00 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 2.32 0.00 735 G 8.89 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 0.00 0.00 0.00 736 E 8.29 4.56 0.00 2.05 1.85 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 2.32 2.29 0.00 737 K 8.20 3.98 0.00 1.83 1.87 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.48 7.81 738 V 6.98 4.74 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 0.82 0.00 0.00 0.48 0.00 0.00 739 K 8.49 4.72 0.00 1.65 1.61 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.33 7.81 740 I 8.15 4.86 2.05 0.00 0.00 -0.16 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 1.21 1.06 0.00 0.00 741 P 0.00 4.79 0.00 2.09 2.01 0.00 3.61 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 2.13 2.15 0.00 742 V 8.94 4.78 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 0.96 0.00 0.00 0.93 0.00 0.00 743 A 8.94 5.11 1.20 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 0.00 744 I 8.75 4.37 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.44 0.81 0.00 0.00 745 K 9.19 4.77 0.00 1.78 1.67 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.40 7.81 746 E 8.43 4.47 0.00 2.11 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 2.44 2.34 0.00 747 L 8.75 4.46 0.00 1.90 1.63 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 748 R 7.87 4.24 0.00 1.96 2.26 0.00 3.02 0.00 0.00 2.69 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.55 0.00 749 E 9.60 3.28 0.00 2.04 1.67 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 2.27 2.29 0.00 750 A 8.25 3.74 1.23 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 0.00 0.00 751 T 8.13 4.53 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 1.28 0.00 0.00 752 S 8.08 4.17 0.00 4.00 4.03 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 0.00 753 P 0.00 4.07 0.00 2.20 2.08 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 754 K 8.28 3.87 0.00 1.88 1.85 0.00 1.78 0.00 0.00 1.84 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.64 7.81 755 A 9.71 4.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.08 4.28 0.00 2.76 2.89 0.00 0.00 6.75 7.27 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 0.00 757 K 7.92 4.02 0.00 1.77 1.98 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.62 7.81 758 E 7.56 3.97 0.00 2.36 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 2.27 2.37 0.00 759 I 7.84 3.75 1.86 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 1.52 1.33 1.00 0.00 0.00 760 L 8.05 4.15 0.00 1.82 1.71 0.94 0.86 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 0.00 761 D 7.67 4.36 0.00 2.66 2.72 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 0.00 762 E 7.91 4.00 0.00 2.18 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 2.42 2.33 0.00 763 A 8.07 4.03 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 0.00 764 Y 7.91 3.94 0.00 3.03 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 0.00 765 V 8.24 3.55 2.22 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 0.82 0.00 0.00 1.12 0.00 0.00 766 M 8.29 3.70 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.31 0.00 767 A 7.90 4.06 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 0.00 768 S 7.44 4.31 0.00 3.63 3.78 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 0.00 769 V 6.56 4.45 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 0.54 0.00 0.00 0.67 0.00 0.00 770 D 9.02 4.35 0.00 2.50 2.54 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 0.00 0.00 0.00 0.00 771 N 7.82 4.53 0.00 1.44 1.86 0.00 0.00 7.10 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 0.00 772 P 0.00 4.30 0.00 1.81 1.99 0.00 3.53 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 773 H 8.86 4.99 0.00 3.20 3.32 0.00 5.56 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 774 V 7.42 4.91 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 0.82 0.00 0.00 1.00 0.00 0.00 775 C 9.19 4.23 0.00 3.14 2.93 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 0.00 776 R 8.69 3.90 0.00 1.91 1.81 0.00 3.18 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 777 L 8.36 4.55 0.00 1.59 1.61 0.92 1.01 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 0.00 778 L 8.70 4.21 0.00 1.28 1.23 0.89 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 779 G 6.67 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 0.00 780 I 8.02 5.07 1.84 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 1.08 0.92 0.86 0.00 0.00 781 C 8.99 4.97 0.00 3.05 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 0.00 782 L 8.76 4.69 0.00 1.58 1.62 0.93 0.91 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 0.00 783 T 7.98 4.27 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 1.27 0.00 0.00 784 S 6.63 4.57 0.00 3.87 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 0.00 785 T 6.96 4.28 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 1.38 0.00 0.00 786 V 8.09 4.49 2.10 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 0.91 0.00 0.00 0.94 0.00 0.00 787 Q 8.55 4.17 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 788 L 8.42 4.50 0.00 1.69 1.61 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 789 I 8.37 4.78 1.53 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.00 0.35 0.00 0.00 790 T 8.60 5.00 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 1.16 0.00 0.00 791 Q 8.38 4.24 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 792 L 8.24 3.93 0.00 1.69 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 793 M 8.61 4.44 0.00 2.23 2.00 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 2.61 2.63 0.00 794 P 0.00 4.11 0.00 1.55 1.89 0.00 3.98 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 795 F 8.19 4.47 0.00 3.03 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 0.00 796 G 8.25 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 0.00 797 C 8.58 3.96 0.00 3.01 2.88 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 0.00 798 L 8.62 3.98 0.00 1.58 1.72 -0.18 -0.09 0.00 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2.06 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 1.55 1.06 0.94 0.00 0.00 966 I 7.49 3.70 2.01 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 1.52 0.75 0.88 0.00 0.00 967 E 8.90 3.80 0.00 1.75 1.68 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 2.41 2.36 0.00 968 F 8.31 4.01 0.00 3.22 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 0.00 969 S 8.03 4.14 0.00 3.87 4.15 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 0.00 970 K 8.31 4.05 0.00 1.88 1.74 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.44 7.81 971 M 7.84 3.50 0.00 1.60 1.73 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.81 0.00 972 A 8.18 4.17 1.37 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 0.00 973 R 7.76 4.24 0.00 1.99 2.01 0.00 3.10 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 974 D 8.04 4.83 0.00 2.72 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 0.00 975 P 0.00 4.47 0.00 2.22 2.07 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 976 Q 7.87 4.23 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.11 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 977 R 7.97 3.82 0.00 1.64 1.43 0.00 3.02 0.00 0.00 2.99 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.18 0.00 978 Y 7.69 4.75 0.00 3.06 2.96 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 0.00 979 L 8.22 5.01 0.00 1.53 1.57 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 980 V 8.64 4.17 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 0.75 0.00 0.00 0.91 0.00 0.00 981 I 7.90 4.43 1.93 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 1.46 1.31 0.99 0.00 0.00 982 Q 8.77 3.99 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 983 G 8.89 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 0.00 984 D 7.94 4.40 0.00 2.93 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 0.00 985 E 8.13 4.03 0.00 2.11 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 0.00 2.30 2.29 0.00 986 R 7.21 4.46 0.00 2.02 2.00 0.00 3.03 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 987 M 7.86 4.67 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 *988 H 8.78 5.11 0.00 2.88 2.78 0.00 7.14 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 989 L 7.89 4.88 0.00 1.33 1.44 0.32 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 990 P 0.00 4.18 0.00 2.22 2.29 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 991 S 7.94 4.42 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 *1002 M 7.65 4.45 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 1003 D 8.40 4.60 0.00 2.72 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1004 E 5.90 4.14 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 1005 E 8.63 4.54 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.84 0.00 1006 D 7.87 4.84 0.00 2.69 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 1007 M 7.76 4.62 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 1008 D 8.17 4.52 0.00 2.64 2.72 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 1009 D 7.79 4.87 0.00 2.58 2.61 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 0.00 0.00 0.00 0.00 1010 V 7.86 4.18 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 0.74 0.00 0.00 0.93 0.00 0.00 1011 V 8.50 4.56 2.10 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 0.95 0.00 0.00 0.99 0.00 0.00 1012 D 8.66 4.69 0.00 2.83 2.76 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 1013 A 8.84 4.16 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 1014 D 8.29 4.37 0.00 2.87 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 1015 E 8.29 4.41 0.00 2.09 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 2.29 2.28 0.00 1016 Y 8.07 4.56 0.00 2.92 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 1017 L 7.75 4.73 0.00 1.47 1.39 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 1018 I 7.78 4.38 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.91 0.00 0.00 1019 P 0.00 4.37 0.00 2.15 2.02 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.