NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 696 G 3.9985 8.3549 109.7387 44.9839 0.0000 173.9967 697 E 4.3554 8.0121 117.2803 55.0646 31.6501 174.2635 698 A 4.2648 7.7854 123.0910 50.2921 20.1897 175.0554 699 P 4.1899 0.0000 0.0000 62.7680 31.6208 176.1260 700 N 4.5136 8.6668 121.9489 53.4580 37.5802 173.5148 701 Q 4.4626 8.2633 124.7985 55.4852 29.3400 176.4898 702 A 4.1211 7.8393 120.7167 52.3200 18.9570 177.7379 703 L 4.5368 8.1383 119.4198 52.8362 43.4680 176.1553 704 L 4.4120 8.3381 125.0689 53.2943 43.0145 175.1352 705 R 4.4186 8.3190 127.2726 55.3656 31.7374 174.7032 706 I 4.7374 8.3470 127.2581 60.0709 38.3390 174.9723 707 L 4.8036 8.7627 127.8597 52.9063 43.6643 176.7610 708 K 4.2638 8.5031 121.7543 55.7642 32.8157 177.7410 709 E 3.3458 9.0595 124.7096 59.5540 29.4628 178.4161 710 T 4.0383 7.6418 104.6823 62.5706 68.8393 174.4209 711 E 4.5292 8.2582 122.4398 56.6572 30.3070 175.5862 712 F 5.3980 7.1657 113.5948 54.9405 41.0348 173.5939 713 K 4.5218 8.8723 125.6712 54.7367 33.9721 175.0928 714 K 4.5875 8.6687 127.1719 56.5846 32.4757 176.4439 715 I 4.3412 9.0360 126.9724 62.9197 38.0884 176.0409 716 K 4.6098 7.6282 118.5497 55.7314 35.5885 174.8215 717 V 3.8853 8.2561 121.0061 62.8836 31.9130 175.3567 718 L 4.7880 8.2494 123.4795 55.3238 44.3902 176.6180 719 S 4.5812 7.3780 110.5411 58.2197 65.8640 175.7591 720 S 4.8568 7.8634 115.5314 56.1466 65.8256 174.2186 *724 G 3.7171 8.4308 113.3152 46.1888 0.0000 172.0217 725 T 4.7703 7.6094 114.0312 63.4201 71.9752 172.6591 726 V 4.3942 8.0520 128.1136 62.4356 32.9801 174.6138 727 Y 4.9880 9.4800 125.1297 56.1226 41.8513 174.1852 728 K 4.9005 9.1314 122.5228 55.1687 34.8469 175.3169 729 G 4.1313 8.8679 113.9076 45.8665 0.0000 171.3449 730 L 5.4292 9.0323 119.6261 52.6715 46.1099 175.5709 731 W 5.3657 9.0688 132.3516 56.0024 32.8169 174.7435 732 I 4.6825 9.3835 129.5246 56.7376 36.4919 172.6387 733 P 4.0444 0.0000 0.0000 62.3008 31.9710 176.0692 734 E 3.8396 8.7503 123.6195 57.4597 29.7871 176.7086 735 G 3.9533 8.7444 114.8650 47.1890 0.0000 173.5910 736 E 4.4810 8.1280 117.0183 54.5652 31.4643 176.1440 737 K 3.8541 8.0482 116.8505 57.2890 29.9943 175.2446 738 V 4.7085 7.2134 108.9792 59.5902 36.7694 175.5097 739 K 4.4193 8.7309 122.8273 54.7862 35.2997 175.2445 740 I 4.8460 8.2859 127.0872 57.9620 38.5811 173.7721 741 P 4.8761 0.0000 0.0000 63.2464 32.3428 175.9365 742 V 4.7365 8.9935 121.8465 60.4120 35.5397 172.9886 743 A 5.1314 8.9993 124.0163 50.2900 21.7110 175.5718 744 I 4.5910 8.9214 123.7953 59.4949 40.1211 175.1129 745 K 4.6872 8.9018 130.8678 55.0750 31.3943 174.2368 746 E 4.7807 8.6287 129.5357 54.2087 31.2964 175.1457 747 L 4.3078 8.1234 126.9460 54.3115 42.4157 175.2149 748 R 3.6933 8.8693 115.6145 57.8350 29.7704 178.8840 *750 A 4.0497 8.8463 115.1064 51.8637 19.4003 176.6265 751 T 4.4340 8.4614 113.0795 59.7863 70.4100 173.6523 752 S 4.6017 8.4039 121.5040 56.0407 63.2474 172.7812 753 P 4.5101 0.0000 0.0000 65.4857 30.9777 178.2977 754 K 4.0037 7.9898 117.8648 58.9343 32.4226 178.4436 755 A 3.9866 8.3974 121.5624 55.2900 18.3359 179.4244 756 N 4.3260 8.0884 114.5706 56.0401 38.7508 177.3640 757 K 3.8831 7.7501 120.6023 59.6246 32.3212 178.6457 758 E 3.9511 8.0713 118.7075 59.5514 29.4082 179.3138 759 I 3.7598 7.7013 118.2168 63.9766 37.9404 177.9603 760 L 4.0686 8.0612 120.0475 57.7483 41.3851 179.1539 761 D 4.3857 8.0900 118.8573 57.1401 40.6556 178.4290 762 E 3.9511 8.1386 119.3582 59.2530 29.6109 178.7246 763 A 3.9956 8.0792 120.8978 55.0801 18.1551 178.8971 764 Y 3.8574 8.1071 117.6356 60.8107 39.1606 178.3999 765 V 3.5554 7.8129 118.9030 66.3872 31.5986 177.8333 766 M 3.5919 8.2200 118.5449 58.2460 31.5283 178.5511 767 A 3.9614 7.9419 119.7932 54.1449 18.6253 178.7361 768 S 4.3247 7.4693 111.7637 57.8077 63.5178 174.2550 769 V 4.5115 6.4196 115.1835 59.8392 33.9869 175.7339 770 D 4.2515 8.6577 121.9086 54.2249 42.4254 174.0080 771 N 4.4969 7.8240 123.2701 51.3782 41.6365 173.6590 772 P 4.2738 0.0000 0.0000 65.1534 31.7037 176.8859 773 H 4.9812 8.7479 115.5508 55.1840 29.1499 173.4241 774 V 4.8805 7.4436 118.3393 60.8709 34.3789 175.0896 775 C 4.2682 9.0939 125.6369 60.1690 28.9612 173.3523 776 R 4.1459 8.6274 124.4097 55.8179 31.0999 174.4605 777 L 4.6120 8.3722 128.7108 54.3104 42.6134 175.9035 778 L 4.1387 8.7500 127.0337 55.6913 42.7382 177.0183 779 G 3.8830 6.4931 102.6479 46.3507 0.0000 171.1198 780 I 5.0630 7.7065 112.1249 59.0489 41.7082 173.9358 781 C 5.0550 8.7529 123.2556 57.7146 34.0357 173.5965 782 L 4.7337 8.5500 128.1106 53.4469 39.5485 175.4396 783 T 4.5306 7.5441 112.3534 59.4225 71.8820 176.1117 784 S 4.1850 8.3416 117.4352 61.5210 62.8175 175.1380 785 T 4.4081 7.5734 108.6692 59.7808 70.4114 174.0422 786 V 4.0397 7.7772 125.4918 62.7391 32.6217 174.5165 787 Q 4.7588 8.6652 127.5855 54.5463 30.9233 174.4883 788 L 4.6546 8.6634 126.2379 53.6639 44.0039 174.8798 789 I 4.7435 8.5777 128.4490 59.8600 39.1619 175.0798 790 T 5.0965 8.6651 116.8032 59.1667 72.8265 172.7736 791 Q 4.3484 8.3196 123.2855 55.7552 29.5059 175.4984 792 L 4.0129 8.1933 128.8212 55.6374 43.0059 176.9623 793 M 4.5214 8.5739 126.3743 52.3472 31.7798 174.2256 794 P 4.0286 0.0000 0.0000 65.5910 31.6689 177.4989 795 F 4.4245 8.1591 112.9526 56.9114 39.2686 177.6247 796 G 3.9168 8.1418 111.8729 45.2238 0.0000 173.1076 797 C 4.6525 8.2500 113.6537 57.9261 31.8713 174.2011 798 L 3.8001 8.7362 124.6379 57.8496 41.3717 179.3941 799 L 3.9772 7.7964 120.1503 58.4046 42.2082 178.5976 800 D 4.4138 8.0862 118.2800 57.2241 40.8184 177.9809 801 Y 4.0326 7.9309 119.8786 60.8512 38.6815 178.5517 802 V 3.9299 8.1747 113.3666 64.2087 31.3793 178.9477 803 R 4.0826 7.5892 117.2578 59.4737 30.1485 178.7490 804 E 4.1291 8.5707 116.3450 58.2727 29.6844 177.3453 805 H 4.7364 7.3273 114.1567 55.6605 29.9556 176.2969 806 K 4.2038 7.6290 119.2692 59.6164 31.9133 177.8861 807 D 4.3707 7.8457 118.8466 56.5287 40.9604 177.0545 808 N 4.9105 8.5619 114.8496 52.5555 39.9874 173.8515 809 I 4.1787 8.0743 120.6664 60.0566 38.0360 176.4349 810 G 4.1526 8.3667 112.5205 42.9901 0.0000 173.6262 811 S 4.1610 8.8559 115.9310 61.6626 62.6053 176.7363 812 Q 3.8234 8.0056 122.2569 59.1711 28.8001 177.8739 813 Y 3.2577 7.6399 117.0274 60.5980 37.9989 178.0952 814 L 3.7031 7.2830 119.4485 57.9055 41.7792 179.7493 815 L 4.0552 7.9434 118.7762 57.8651 41.4606 179.3958 816 N 4.3318 8.0302 116.4852 55.9319 38.3020 177.5262 817 W 4.4327 7.9858 120.4894 60.0514 29.1652 178.1237 818 C 3.8830 7.9852 116.4695 62.8370 27.3393 176.5247 819 V 3.6366 7.7818 119.5600 66.1292 31.1797 178.1005 820 Q 3.7156 8.2906 117.9058 59.0220 28.4768 178.9567 821 I 3.7754 8.2194 120.9034 64.3657 37.0765 178.4005 822 A 3.9467 8.2597 121.6976 55.0183 18.1787 179.9022 823 K 4.0528 8.3945 117.5880 59.4184 32.0549 179.8861 824 G 3.6618 8.2413 106.0669 48.1438 0.0000 175.7368 825 M 3.7568 8.1549 121.8075 57.8296 31.7449 178.3493 826 N 4.2892 8.1220 117.4425 56.7329 39.0781 176.3130 827 Y 4.0119 8.0028 120.9311 60.7195 38.9009 177.9397 828 L 3.8452 8.1853 120.0429 57.7675 41.6804 179.1955 829 E 3.7172 8.1386 119.2724 59.0912 29.2912 178.5035 830 D 4.3246 7.7069 118.3269 57.1909 40.9182 178.0826 831 R 4.1141 7.1996 115.3594 55.0511 30.6883 176.4874 832 R 3.9098 7.9325 117.5047 57.4530 28.3016 175.6582 833 L 4.9777 8.3003 118.7318 53.1737 44.1398 175.1931 834 V 4.4176 8.3815 126.3839 61.5565 32.1825 175.8397 835 H 3.9560 9.6285 128.0890 59.0761 29.8106 177.4703 836 R 4.1959 8.8491 114.1166 56.8403 28.7473 176.2503 837 D 4.7130 7.8194 117.5462 52.5983 41.2552 174.8810 838 L 3.8751 8.1414 120.2625 54.7162 42.9946 175.1841 839 A 4.8306 8.2087 125.4477 52.0468 21.5008 176.6223 840 A 4.0100 8.9733 123.2121 55.1610 18.5712 180.7105 841 R 3.9610 7.9119 111.2873 58.7042 29.9259 176.6743 842 N 4.9062 8.1364 116.3027 53.0202 39.9358 174.4795 843 V 4.7068 7.5392 118.3250 61.1272 34.6746 174.4578 844 L 4.9847 9.0518 127.4234 53.1122 45.3082 175.7512 845 V 4.2407 8.2802 121.2686 61.3088 32.5334 176.4212 846 K 4.0515 8.9296 130.7926 59.0765 32.5302 176.9703 847 T 4.5617 7.3702 106.4499 59.1513 71.6236 172.5785 848 P 4.0659 0.0000 0.0000 64.9815 31.3466 177.3034 849 Q 4.6214 7.8339 113.8923 55.9762 29.0385 174.9637 850 H 5.0715 9.0221 120.5194 55.8264 32.7695 172.5197 851 V 4.9689 9.4167 119.4454 59.6021 35.0530 175.5131 852 K 4.8470 8.6926 120.6647 54.7303 36.7970 175.9880 853 I 4.1637 8.7869 125.1318 61.8705 38.3857 175.2844 854 T 4.5590 8.2185 120.3757 61.6768 70.7768 172.0873 855 D 4.2383 8.6784 117.7316 55.3591 38.7326 172.8964 856 F 4.4633 8.0428 120.7562 56.8041 39.5579 178.0682 857 G 3.8487 7.7566 110.2854 47.5644 0.0000 174.8577 858 L 4.5894 7.4735 115.9920 53.5838 44.0983 176.2871 859 A 4.4749 7.5726 121.1992 51.4855 19.1393 177.3789 860 K 4.3807 8.8020 121.0526 54.3653 35.7066 175.4753 861 L 4.8787 8.4255 124.7334 53.4203 42.1632 176.5911 862 L 4.4104 8.5140 125.2579 54.5381 42.2884 177.7178 863 G 3.8517 8.5886 111.4451 44.6173 0.0000 174.9299 864 A 4.1243 8.2390 125.5274 51.5101 16.8428 178.2858 *866 E 4.1138 7.8264 121.3737 55.9488 30.8922 175.2339 867 K 4.2368 8.8880 126.2541 59.1496 33.3390 176.6600 868 E 4.8523 7.7714 114.5336 54.3655 33.1197 173.8370 869 Y 4.7256 8.7550 122.0631 56.5740 40.8679 173.8800 870 H 4.9708 8.1047 123.5153 54.0147 30.1543 174.7174 871 A 3.8996 8.3425 125.9712 52.9923 19.5006 176.2595 872 E 3.9296 9.1090 121.8655 56.6520 28.7063 177.3636 873 G 4.0112 8.7437 107.5417 44.7058 0.0000 173.1439 874 G 3.9645 9.1793 105.3845 45.0834 0.0000 173.4714 875 K 3.9287 8.2442 119.1989 56.6917 32.4123 176.6046 876 V 4.5418 8.0668 116.1023 58.9317 35.7859 174.5498 877 P 4.6954 0.0000 0.0000 62.0753 29.6541 176.6018 878 I 3.7720 8.2446 128.4710 65.0478 37.4149 178.2680 879 K 4.1731 8.3555 117.2157 57.6935 32.0198 177.1864 880 W 4.6822 8.5616 117.7425 56.4850 30.2808 175.1777 881 M 4.4294 7.7493 118.5407 53.8375 32.5934 176.5124 882 A 2.5800 7.7357 123.4194 50.8807 20.6468 178.9749 883 L 3.4599 6.8907 121.5570 58.2835 42.2906 178.7604 884 E 3.7936 7.8362 117.1127 58.3801 29.3071 178.7722 885 S 4.2924 7.2088 116.1746 59.7861 63.3696 176.2711 886 I 3.6927 6.9550 121.4326 63.8455 36.7945 177.9657 887 L 4.2534 7.4433 119.1709 56.7218 41.8763 177.4651 888 H 4.7708 7.5680 112.4708 54.8263 29.3458 174.7950 889 R 4.1442 7.6462 116.0296 55.9388 27.8194 175.5852 890 I 4.5568 6.9984 117.0145 61.0476 39.1928 174.8108 891 Y 5.0317 8.5401 122.2069 57.0709 42.7360 174.5563 892 T 4.7973 9.5865 113.8527 59.9310 72.7033 174.2722 893 H 4.4856 8.9059 117.1500 59.4193 28.5240 177.9052 894 Q 4.0863 8.2081 119.7039 58.7920 28.5942 178.6461 895 S 4.3838 8.0558 114.9638 61.2156 63.0769 176.3247 896 D 4.6663 8.2121 122.5981 57.2913 40.5482 178.6113 897 V 3.5144 7.9738 118.9262 65.5951 31.5363 177.8024 898 W 4.9274 8.1935 129.1672 60.4455 30.6507 178.1981 899 S 4.8944 8.5321 115.8682 61.2939 62.2052 176.1399 900 Y 4.3437 8.9079 123.1262 60.5573 38.6051 178.1476 901 G 3.5797 8.5845 106.8701 48.0189 0.0000 175.8475 902 V 3.9651 8.2633 120.6352 65.9183 31.4352 178.2293 903 T 4.3458 8.2151 115.7042 66.6759 68.3168 176.7419 904 V 3.4452 7.8194 120.1842 65.6273 31.5286 177.7221 905 W 4.1670 8.4319 128.0792 60.7644 30.5343 177.6709 906 E 4.0581 9.0029 118.7490 59.4881 28.9059 179.5092 907 L 3.9681 7.9073 118.9940 58.0499 41.5755 179.3759 908 M 3.9116 8.3519 117.5380 57.2058 31.8515 177.7601 909 T 4.1709 6.9188 108.1383 60.3224 69.2248 174.3202 910 F 3.6082 8.2126 118.4362 59.2730 36.8818 175.6709 911 G 4.1977 8.4519 107.4533 45.8383 0.0000 175.0457 912 S 4.4836 7.3406 114.6384 57.5028 63.5744 174.2703 913 K 4.4609 8.5762 123.0960 55.0816 32.6163 175.3195 914 P 3.3296 0.0000 0.0000 63.5030 31.9437 175.8232 915 Y 3.4502 7.5200 120.6563 58.4279 34.8759 170.9911 916 D 4.4371 8.3306 119.5189 56.5926 41.1179 176.0077 917 G 3.9377 7.1725 105.3678 46.1659 0.0000 173.0436 918 I 3.4535 7.0267 120.5103 58.7306 38.4934 173.8284 919 P 4.5662 0.0000 0.0000 61.4731 32.6364 176.8368 920 A 4.0106 8.8243 123.7917 55.8044 17.8622 180.4016 921 S 4.1683 8.0433 110.8050 61.2583 63.1912 175.7978 922 E 4.1985 8.6573 122.2287 58.3882 29.6203 178.6471 923 I 3.2506 7.0298 118.8554 64.3514 36.8029 177.6912 924 S 3.9523 7.9593 113.3186 61.4388 62.1457 176.1352 925 S 4.1910 8.3225 115.9990 61.4275 61.6965 175.8519 926 I 3.6604 7.6948 122.0360 64.7181 36.6293 178.2480 927 L 4.0855 7.6760 118.0436 57.7178 41.5244 179.1439 928 E 4.1720 7.8216 118.5290 58.9743 29.2556 178.7192 929 K 4.2937 7.9025 116.0284 57.1155 32.0466 177.9433 930 G 3.9359 7.6570 108.1000 45.2990 0.0000 173.4680 931 E 4.3456 7.4827 119.1091 55.6245 30.4344 175.4938 932 R 4.5313 7.9206 120.9869 54.5677 34.4147 174.6557 933 L 3.7201 7.2752 118.5746 53.9312 41.8998 175.7986 934 P 4.5311 0.0000 0.0000 62.2830 32.0524 175.9164 935 Q 3.1306 8.0802 121.4018 55.1115 29.2519 174.3684 936 P 4.3465 0.0000 0.0000 61.4973 32.2443 175.2385 937 P 4.1964 0.0000 0.0000 66.0859 31.0358 177.6135 938 I 4.1255 7.6474 110.0712 61.2626 37.8574 174.7565 939 C 4.7104 7.9526 121.0719 58.8838 28.3560 173.8630 940 T 4.2784 8.2221 114.9873 60.7837 69.5579 175.4459 941 I 3.8697 8.2649 120.7724 63.9773 37.5795 177.3875 942 D 4.3519 8.1250 119.0028 57.3688 41.0488 178.4978 943 V 3.6426 7.7579 118.0505 66.1269 31.6596 177.1992 944 Y 4.1966 8.0099 119.2585 61.0470 38.6369 177.7173 945 M 3.7771 8.3139 119.0400 58.4211 31.9392 178.4171 946 I 3.5108 7.1679 119.4233 64.3888 37.4790 177.7634 947 M 3.4761 7.6091 118.9087 58.2085 31.7184 178.4907 948 V 3.1348 6.9697 118.2479 66.1917 31.3961 178.3043 949 K 3.8519 7.6119 117.6521 59.4041 31.9624 178.6922 950 C 4.2541 7.7788 116.2594 60.8204 27.7037 174.7926 951 W 3.6306 6.9296 119.5212 56.0359 28.9506 176.0544 952 M 4.3420 7.8165 117.9023 55.6429 31.9458 176.6697 953 I 4.0261 8.3235 122.0031 63.8332 37.9610 175.8340 954 D 4.5107 8.0557 119.9516 52.9642 40.2270 175.7675 955 A 4.1777 8.7778 131.1237 55.5551 18.3570 178.7388 956 D 4.6090 8.0063 112.5549 55.9011 41.2328 177.2502 957 S 4.4283 8.2933 114.9232 59.5285 63.4249 174.9770 958 R 4.5220 7.5103 119.0417 54.2500 30.4560 174.6394 959 P 4.5237 0.0000 0.0000 62.5539 32.4022 175.8916 960 K 4.2677 8.8909 119.3574 55.1789 33.4993 177.9845 961 F 4.1087 8.6072 121.9700 61.0603 38.5347 178.3387 962 R 3.9594 8.1472 114.7687 59.3290 28.9888 178.6279 963 E 3.9928 8.6320 119.7381 59.1301 29.5583 179.0052 964 L 4.0323 7.7862 118.5545 57.7198 41.6424 179.4697 965 I 3.7991 8.1087 120.0694 64.4513 37.1066 178.5093 966 I 3.6759 7.4531 120.2055 64.3727 36.9768 178.2949 967 E 3.7787 8.2740 119.4351 59.6444 29.2949 179.6592 968 F 4.0279 8.1310 117.5462 60.3816 38.6692 177.7958 969 S 4.1720 7.9729 112.4158 61.1829 62.3381 176.0202 970 K 4.1080 8.1200 121.3462 59.6847 31.7353 179.2930 971 M 3.7563 7.7232 118.3493 58.0846 31.5953 178.5597 972 A 4.1000 8.1586 120.0980 54.6440 18.5577 179.4153 973 R 4.1374 7.5569 115.7465 58.0392 31.7438 176.7997 974 D 4.8002 8.2727 118.0148 50.8048 42.0940 173.1777 975 P 4.3594 0.0000 0.0000 66.0814 31.7350 178.1855 976 Q 4.2511 8.0233 113.8033 58.0853 28.7141 177.8160 977 R 3.9274 7.7107 118.7546 57.7507 30.4079 175.8610 978 Y 4.8498 7.8497 114.2153 56.8958 41.0169 175.4094 979 L 5.1283 7.9586 118.2185 52.8191 45.0040 176.1632 980 V 4.2376 8.9982 124.8133 61.4118 33.1004 174.5783 981 I 4.7778 8.0253 128.7403 58.9853 40.0365 175.3644 982 Q 4.1703 8.7236 124.8571 57.4916 29.1529 176.9164 983 G 3.9071 8.7481 110.3740 45.6265 0.0000 174.3801 984 D 4.4110 8.0475 120.3037 57.4671 41.4533 178.3038 985 E 4.1436 8.2085 116.7995 59.6249 29.8253 178.7781 986 R 4.3686 7.5777 116.9201 56.7420 29.6390 176.5864 987 M 4.8606 7.8090 115.9482 53.7393 35.5621 175.2051 988 H 5.0075 8.6708 121.0955 54.3660 33.0807 172.3268 989 L 4.7581 8.0733 125.2059 51.9132 45.2235 176.9607 990 P 4.3755 0.0000 0.0000 62.1930 31.0556 176.1250 *1005 E 3.9316 8.5362 121.4598 57.2125 29.5703 174.7306 1006 D 4.6691 8.5479 124.3381 53.5969 41.3303 176.2647 1007 M 4.7879 8.2363 128.6611 55.0185 33.0701 178.2401 1008 D 4.3341 8.3994 121.0708 57.4803 41.3255 177.5990 1009 D 4.6815 7.9140 116.2654 54.0278 41.2224 175.9772 1010 V 4.3183 7.2282 120.4737 63.1274 32.0335 175.6204 1011 V 4.5299 8.6769 126.7059 61.0001 35.1847 174.0779 1012 D 4.5480 8.8005 126.5046 53.9193 42.1809 176.7574 1013 A 4.1683 8.9137 126.6855 55.5154 18.5703 179.5949 1014 D 4.5257 8.7719 114.9214 56.5475 40.8818 176.9074 1015 E 4.4611 8.2191 116.9239 56.0947 30.1571 175.6492 1016 Y 4.4768 7.7502 121.3392 55.7818 38.1132 174.1211 1017 L 4.4533 7.7750 125.3717 53.4012 43.9851 177.7930 1018 I 2.7732 8.4119 113.0086 62.9891 38.6068 172.2658 1019 P 4.4011 0.0000 0.0000 62.1063 30.4773 175.4408 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.36 0.00 2.01 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 0.00 2.20 2.32 0.00 698 A 7.79 4.26 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 0.00 699 P 0.00 4.19 0.00 2.19 2.10 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 700 N 8.67 4.51 0.00 2.73 2.86 0.00 0.00 7.16 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 8.26 4.46 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 702 A 7.84 4.12 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 0.00 703 L 8.14 4.54 0.00 1.61 1.58 0.92 0.95 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 0.00 704 L 8.34 4.41 0.00 1.56 1.56 0.92 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 0.00 705 R 8.32 4.42 0.00 1.93 1.86 0.00 3.33 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 706 I 8.35 4.74 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 0.92 0.00 0.00 707 L 8.76 4.80 0.00 1.35 1.65 0.80 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 708 K 8.50 4.26 0.00 2.05 1.75 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.44 7.81 709 E 9.06 3.35 0.00 1.86 1.76 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 2.35 2.19 0.00 710 T 7.64 4.04 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 8.26 4.53 0.00 2.58 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 712 F 7.17 5.40 0.00 3.28 3.18 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 0.00 713 K 8.87 4.52 0.00 1.88 1.75 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.40 7.81 714 K 8.67 4.59 0.00 1.70 1.84 0.00 1.52 0.00 0.00 0.81 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.48 7.81 715 I 9.04 4.34 2.04 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 1.34 0.82 0.93 0.00 0.00 716 K 7.63 4.61 0.00 1.79 1.87 0.00 1.49 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 717 V 8.26 3.89 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 0.57 0.00 0.00 0.63 0.00 0.00 718 L 8.25 4.79 0.00 1.58 1.61 0.92 0.68 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 0.00 719 S 7.38 4.58 0.00 3.79 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 0.00 720 S 7.86 4.86 0.00 3.77 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 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 0.00 725 T 7.61 4.77 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 726 V 8.05 4.39 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 1.00 0.00 0.00 0.93 0.00 0.00 727 Y 9.48 4.99 0.00 2.88 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 0.00 728 K 9.13 4.90 0.00 1.77 1.85 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.36 7.81 729 G 8.87 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 730 L 9.03 5.43 0.00 1.59 1.56 0.94 0.77 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 0.00 731 W 9.07 5.37 0.00 3.32 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 0.00 732 I 9.38 4.68 1.85 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 1.20 1.25 0.86 0.00 0.00 733 P 0.00 4.04 0.00 1.79 1.83 0.00 3.02 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.44 0.00 734 E 8.75 3.84 0.00 1.98 1.88 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 2.32 2.26 0.00 735 G 8.74 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 0.00 736 E 8.13 4.48 0.00 1.95 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 2.20 2.26 0.00 737 K 8.05 3.85 0.00 1.85 1.84 0.00 1.69 0.00 0.00 1.96 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.36 7.81 738 V 7.21 4.71 1.86 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 1.01 0.00 0.00 0.46 0.00 0.00 739 K 8.73 4.42 0.00 1.63 1.65 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.32 7.81 740 I 8.29 4.85 1.96 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.07 1.01 0.00 0.00 741 P 0.00 4.88 0.00 2.08 1.99 0.00 3.64 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 742 V 8.99 4.74 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 0.77 0.00 0.00 0.99 0.00 0.00 743 A 9.00 5.13 1.22 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 0.00 0.00 0.00 744 I 8.92 4.59 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.71 0.83 0.00 0.00 745 K 8.90 4.69 0.00 1.85 1.71 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.40 7.81 746 E 8.63 4.78 0.00 2.15 1.90 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 2.27 2.28 0.00 747 L 8.12 4.31 0.00 1.70 1.61 0.92 0.88 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 0.00 748 R 8.87 3.69 0.00 1.78 1.10 0.00 3.28 0.00 0.00 3.24 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 *750 A 8.85 4.05 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 0.00 751 T 8.46 4.43 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 0.00 752 S 8.40 4.60 0.00 3.87 3.77 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 0.00 753 P 0.00 4.51 0.00 2.19 2.11 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 754 K 7.99 4.00 0.00 1.86 1.79 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.56 7.81 755 A 8.40 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.33 0.00 2.74 2.88 0.00 0.00 6.74 7.21 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 0.00 757 K 7.75 3.88 0.00 1.94 2.00 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.62 7.81 758 E 8.07 3.95 0.00 2.21 1.98 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 2.28 2.63 0.00 759 I 7.70 3.76 1.87 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 1.51 1.21 0.97 0.00 0.00 760 L 8.06 4.07 0.00 1.89 1.71 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 761 D 8.09 4.39 0.00 2.98 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 0.00 762 E 8.14 3.95 0.00 2.21 2.05 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 2.40 2.39 0.00 763 A 8.08 4.00 1.39 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 0.00 0.00 0.00 764 Y 8.11 3.86 0.00 2.94 3.19 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 0.00 765 V 7.81 3.56 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 0.72 0.00 0.00 1.09 0.00 0.00 766 M 8.22 3.59 0.00 1.94 2.05 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 2.76 2.44 0.00 767 A 7.94 3.96 1.22 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 0.00 0.00 0.00 768 S 7.47 4.32 0.00 3.68 3.67 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 0.00 769 V 6.42 4.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.71 0.00 0.00 770 D 8.66 4.25 0.00 2.54 2.52 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 0.00 771 N 7.82 4.50 0.00 1.44 1.95 0.00 0.00 7.11 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 4.27 0.00 1.82 1.99 0.00 3.54 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 773 H 8.75 4.98 0.00 3.27 3.37 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 774 V 7.44 4.88 2.04 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 0.95 0.00 0.00 1.08 0.00 0.00 775 C 9.09 4.27 0.00 3.07 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 8.63 4.15 0.00 1.88 1.93 0.00 3.17 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 777 L 8.37 4.61 0.00 1.59 1.46 0.92 0.96 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 0.00 778 L 8.75 4.14 0.00 1.35 1.05 1.11 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 779 G 6.49 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 0.00 0.00 0.00 780 I 7.71 5.06 1.82 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 1.06 0.95 0.84 0.00 0.00 781 C 8.75 5.06 0.00 3.07 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 0.00 782 L 8.55 4.73 0.00 1.57 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 783 T 7.54 4.53 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 1.22 0.00 0.00 784 S 8.34 4.19 0.00 3.88 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 0.00 785 T 7.57 4.41 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 1.24 0.00 0.00 786 V 7.78 4.04 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 0.91 0.00 0.00 0.99 0.00 0.00 787 Q 8.67 4.76 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 788 L 8.66 4.65 0.00 1.72 1.49 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 789 I 8.58 4.74 1.50 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 -0.18 0.46 0.00 0.00 790 T 8.67 5.10 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 1.17 0.00 0.00 791 Q 8.32 4.35 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 792 L 8.19 4.01 0.00 1.81 1.57 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 793 M 8.57 4.52 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 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0.00 835 H 9.63 3.96 0.00 3.26 3.33 0.00 5.74 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 836 R 8.85 4.20 0.00 1.87 1.79 0.00 2.80 0.00 0.00 3.04 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.59 0.00 837 D 7.82 4.71 0.00 2.52 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 0.00 838 L 8.14 3.88 0.00 1.59 1.72 0.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 839 A 8.21 4.83 0.61 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 0.00 0.00 840 A 8.97 4.01 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 0.00 841 R 7.91 3.96 0.00 1.85 2.00 0.00 2.82 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.48 0.00 842 N 8.14 4.91 0.00 2.51 2.89 0.00 0.00 6.23 8.48 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 0.00 843 V 7.54 4.71 1.97 0.00 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0.00 0.00 0.00 0.00 1.85 1.86 0.00 960 K 8.89 4.27 0.00 1.81 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.53 7.81 961 F 8.61 4.11 0.00 3.06 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 0.00 962 R 8.15 3.96 0.00 2.06 2.41 0.00 2.98 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 963 E 8.63 3.99 0.00 2.12 1.98 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 2.30 2.32 0.00 964 L 7.79 4.03 0.00 1.83 1.83 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 965 I 8.11 3.80 2.09 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 1.57 0.93 0.94 0.00 0.00 966 I 7.45 3.68 1.99 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 1.04 0.88 0.00 0.00 967 E 8.27 3.78 0.00 1.74 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 968 F 8.13 4.03 0.00 3.29 3.10 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 0.00 969 S 7.97 4.17 0.00 4.05 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 0.00 970 K 8.12 4.11 0.00 1.86 1.76 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.62 7.81 971 M 7.72 3.76 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 0.00 972 A 8.16 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 4.14 0.00 2.01 2.03 0.00 3.15 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 974 D 8.27 4.80 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 975 P 0.00 4.36 0.00 2.21 2.13 0.00 3.67 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 2.26 2.38 0.00 976 Q 8.02 4.25 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.07 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 977 R 7.71 3.93 0.00 1.57 1.66 0.00 3.00 0.00 0.00 2.93 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 978 Y 7.85 4.85 0.00 3.06 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 0.00 979 L 7.96 5.13 0.00 1.53 1.58 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 980 V 9.00 4.24 2.09 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 0.96 0.00 0.00 0.92 0.00 0.00 981 I 8.03 4.78 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.83 0.96 0.00 0.00 982 Q 8.72 4.17 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 983 G 8.75 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 984 D 8.05 4.41 0.00 2.97 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 0.00 985 E 8.21 4.14 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 986 R 7.58 4.37 0.00 1.85 1.94 0.00 3.10 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 987 M 7.81 4.86 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.48 0.00 988 H 8.67 5.01 0.00 3.02 3.15 0.00 5.86 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 989 L 8.07 4.76 0.00 1.19 1.27 0.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 990 P 0.00 4.38 0.00 2.13 2.16 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 *1005 E 8.54 3.93 0.00 1.98 1.98 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 2.22 2.31 0.00 1006 D 8.55 4.67 0.00 2.63 2.58 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 1007 M 8.24 4.79 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 1008 D 8.40 4.33 0.00 2.91 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 7.91 4.68 0.00 2.67 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 1010 V 7.23 4.32 2.21 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 0.69 0.00 0.00 0.92 0.00 0.00 1011 V 8.68 4.53 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 0.94 0.00 0.00 0.96 0.00 0.00 1012 D 8.80 4.55 0.00 2.88 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 1013 A 8.91 4.17 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 1014 D 8.77 4.53 0.00 2.76 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 8.22 4.46 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 1016 Y 7.75 4.48 0.00 2.91 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 1017 L 7.77 4.45 0.00 1.53 1.47 0.98 0.97 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 1018 I 8.41 2.77 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.32 0.87 0.00 0.00 1019 P 0.00 4.40 0.00 2.06 2.05 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.