NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 632 S 4.4978 8.3349 115.4189 58.3286 65.2654 174.6580 633 D 4.6133 7.9910 120.1172 54.3661 41.6362 174.6195 634 S 5.3447 8.2032 111.5695 56.9368 67.2548 172.8571 635 H 4.9812 9.3710 121.0501 53.5605 32.0416 170.9752 636 P 4.5171 0.0000 0.0000 63.1499 31.6231 175.7381 637 L 4.4158 9.0397 121.6694 55.9758 44.9118 175.7612 638 F 5.0114 7.9081 121.7089 55.8836 40.9518 171.8082 639 V 4.2347 7.5939 122.4477 61.1243 31.9806 174.6582 640 R 4.1095 9.0418 128.3839 56.3836 29.0528 176.8239 641 S 4.5524 6.5367 109.2026 56.2533 65.7501 173.3024 642 L 4.3029 8.6312 121.5878 54.8256 42.1488 177.4630 643 A 4.2121 8.6343 126.4012 51.5219 19.1842 178.4433 644 K 3.8030 8.7345 118.9322 60.1280 32.2379 178.6392 645 N 4.6805 8.2262 113.2075 54.2373 38.5032 173.3504 646 M 5.2886 7.6406 115.3428 53.5445 35.0800 175.0930 647 T 4.6504 8.4682 110.7220 59.8399 73.2142 172.9166 648 W 5.0157 8.6895 122.4152 56.5203 30.9782 175.5352 649 Q 5.0524 9.4921 122.1408 54.2248 31.8740 174.3493 650 L 4.7387 9.3498 124.9209 53.1159 43.9917 175.6629 651 A 4.8797 8.9840 127.9484 50.3146 20.6224 174.8976 652 D 4.5559 8.2326 122.8589 53.3558 42.0649 176.9126 653 T 4.2324 8.3615 109.7693 62.4444 69.1428 174.5583 654 S 4.4831 8.1580 118.2362 58.1429 64.2557 173.8691 655 T 4.3606 8.2768 108.2737 61.6111 68.4310 174.1360 656 Q 4.5611 8.1548 122.3129 54.1575 31.1982 173.9774 657 K 4.6760 8.6014 124.0520 54.6166 34.5457 175.1139 658 V 4.3679 8.6002 126.9403 61.1657 33.8269 174.1047 659 L 5.1552 8.6562 127.9094 53.4625 42.9034 175.5719 660 A 4.9364 9.3461 127.0742 49.9096 21.5080 176.5383 661 S 4.7487 9.0400 114.9674 57.6530 64.6085 174.4431 662 G 4.3248 7.9142 110.1457 45.3967 0.0000 173.5492 663 A 4.2988 9.0024 121.7570 53.7669 19.1163 177.6008 664 S 4.8530 7.5157 107.4647 57.4548 66.3265 173.2520 665 A 4.6725 8.4392 121.0612 51.5555 22.8903 175.2376 666 T 5.0650 8.2228 108.7300 59.5775 72.3863 173.8362 667 S 4.3344 8.7647 118.4672 57.6597 64.3914 175.2128 668 G 3.7342 9.0444 108.0427 47.8729 0.0000 174.0880 669 D 4.4906 9.0244 117.8987 52.7892 39.8423 177.8152 670 K 4.0519 8.2510 118.2189 57.2040 30.4291 176.3039 671 Q 4.4663 7.9061 114.9292 56.6457 32.8710 176.5757 672 S 4.3400 9.2806 114.6229 60.9148 64.1236 174.6936 673 L 4.8293 8.0033 121.3729 53.3033 45.2217 175.1671 674 L 5.0881 8.5555 125.7502 52.9962 45.7164 175.0506 675 M 4.7990 8.8807 122.5922 53.6168 35.1457 174.4150 676 Q 4.7879 8.4636 122.8077 54.4456 33.0480 174.1125 677 S 4.9328 8.3386 114.7880 58.0703 64.9277 173.8539 678 V 4.6357 8.5486 114.8089 59.8634 36.5209 174.0199 679 N 5.0799 8.7868 118.7410 51.2100 39.7756 173.1468 680 L 4.1925 10.0023 126.2022 55.0043 44.2944 176.9488 681 S 4.2478 9.0124 117.3709 59.0392 64.1822 173.6911 682 Y 4.7751 7.6001 116.3827 55.5116 40.8785 174.0079 683 Q 4.2508 8.6721 119.0382 57.7500 28.8732 176.4724 684 E 4.1542 9.9783 122.1101 57.5274 27.5298 174.8737 685 D 4.6837 7.7700 117.5804 54.2856 40.3550 175.7254 686 G 4.6187 8.5170 106.7611 44.6429 0.0000 172.1244 687 R 4.8990 9.1117 118.3203 54.0274 33.7350 175.0800 688 G 4.1762 8.7087 111.3102 44.7365 0.0000 172.5067 689 F 5.2427 9.3797 122.1512 55.2761 42.9322 173.4557 690 N 5.4957 8.9114 121.8214 51.6872 41.8881 172.7973 691 W 5.1417 9.8550 127.0325 55.7309 30.5375 176.9820 692 R 4.7671 9.2595 122.5682 56.1710 31.6163 175.0967 693 A 4.6877 7.9828 118.7303 50.0290 22.8321 175.2176 694 Q 4.1452 8.5245 119.1973 57.4101 29.3252 176.2204 695 A 4.7864 8.9322 125.2461 51.2922 23.5962 174.3729 696 A 5.3732 8.9674 121.9877 50.1136 22.0329 175.0966 697 L 4.9156 9.3999 125.2299 53.6393 44.1791 175.4816 698 S 5.3240 9.1293 121.6474 56.6633 67.3836 172.6917 699 L 4.8049 8.5817 125.0198 53.7363 43.3795 175.3851 700 S 5.2175 8.8055 122.4892 56.7880 67.0048 173.0862 701 Y 4.6430 8.9235 121.2326 57.5609 37.9691 176.1445 702 L 4.3499 9.3183 124.4643 57.0219 42.3118 177.5442 703 E 4.7432 8.0100 113.4644 53.1363 32.5173 173.3820 704 P 4.4299 0.0000 0.0000 63.9008 32.2751 175.7117 705 T 4.4223 8.5739 119.6839 60.9215 72.0225 171.8174 706 P 4.5122 0.0000 0.0000 61.8690 32.2934 176.3952 707 L 3.9224 8.4410 125.5658 54.9292 42.6043 176.2940 708 D 4.4241 8.8971 125.9607 54.3386 41.9004 177.1499 709 S 4.2109 8.7029 120.7652 60.5349 63.2989 175.9583 710 K 3.5359 8.2274 122.6065 58.8894 31.8956 177.0331 711 F 5.0108 8.1368 115.7135 56.9965 39.3057 177.4075 712 S 4.2919 7.8461 117.8807 60.8997 62.5924 175.2857 713 T 4.5720 7.8548 109.7433 61.0690 69.5115 174.3394 714 G 4.4120 8.1846 114.7368 45.8925 0.0000 172.6557 715 Y 5.1575 8.6652 116.7093 56.2369 43.0536 174.2597 716 L 4.7546 8.7783 124.9490 54.0948 43.8143 174.7739 717 E 5.3621 9.4383 127.9641 54.5917 32.3554 174.4274 718 L 5.4161 8.7332 124.5890 54.9914 44.6464 174.1735 719 K 5.2468 9.3810 120.0861 55.5197 34.3254 175.4470 720 M 5.4975 9.4990 123.0848 53.9850 36.4513 173.6228 721 R 4.5825 8.2238 124.0073 54.4892 33.4611 173.9575 722 I 4.6891 8.2809 127.4130 59.9420 37.8865 175.5654 723 D 4.4327 8.6416 127.5723 54.5983 40.8354 176.4617 724 K 4.4904 8.4174 120.4689 54.1805 35.0169 175.7988 725 A 4.2889 8.6826 130.9306 51.2320 19.3565 174.8260 726 P 5.0484 0.0000 0.0000 61.7430 32.0477 177.2208 727 E 3.9719 8.8511 124.4483 58.5399 29.7839 177.2147 728 Q 4.3937 8.1861 114.7510 55.3153 29.2638 175.8151 729 G 3.8504 8.9870 102.5987 45.3380 0.0000 172.7524 730 A 4.4370 7.6709 117.6401 50.5534 22.6567 174.6015 731 N 5.3846 8.7854 118.6517 51.6776 42.0388 173.0159 732 L 5.2027 9.4951 128.8397 53.8681 43.9827 174.7245 733 Q 5.1950 9.4379 126.3300 54.2106 31.8117 175.0756 734 V 4.5598 8.3589 122.3442 62.0922 34.9366 174.4229 735 M 3.4698 8.8121 127.1517 56.3754 29.4793 174.4250 736 C 5.3103 9.0218 118.0101 55.3736 41.1755 174.6463 737 S 4.4958 9.4166 122.4246 56.9231 65.2651 174.4313 *738 E 4.2092 9.1295 117.3411 60.1004 29.2506 174.5862 *739 S 4.8266 8.5166 115.9183 56.0792 63.7772 176.2197 *740 N 5.0580 7.1902 131.6184 53.2562 37.7837 175.8615 741 C 5.3596 7.4619 120.1449 54.4614 43.8841 174.6006 742 L 4.0952 8.5818 123.7691 57.3883 41.8748 177.9552 743 R 4.6804 8.2411 116.1865 54.3138 34.6961 174.5247 744 D 4.9237 8.7578 121.1456 52.7756 43.8369 174.3455 745 I 4.6205 8.8027 127.7797 59.2860 40.3130 175.5236 746 D 5.0227 8.8126 127.1487 53.9635 41.8220 177.5078 747 F 3.7192 9.5145 122.6765 60.5611 38.5470 178.2151 748 S 4.1405 8.1855 113.0488 61.4465 62.6453 176.3862 749 S 4.4263 8.0674 117.1492 60.2831 62.4314 174.8301 750 F 5.0072 7.9059 115.9916 55.6323 38.6772 176.8214 751 S 3.6499 7.9640 119.3894 61.9909 62.6848 176.1344 752 Q 3.9708 7.9441 121.4192 58.6020 28.3977 178.4658 753 L 4.0719 7.3265 118.9699 58.4059 40.7628 178.2592 754 M 4.3113 7.6289 118.2048 55.9057 32.1024 177.5477 755 A 4.1459 7.7374 121.1156 54.0228 18.6699 178.4701 756 D 4.4618 8.0512 115.9182 53.5386 39.6821 176.3141 757 K 4.1035 7.7228 117.8233 56.7330 30.2888 175.0704 758 S 4.8088 8.1575 113.8004 56.3285 65.2450 174.2539 759 W 4.5199 8.6155 121.2046 57.4882 29.5976 175.7308 760 H 5.0889 9.4916 119.8930 54.4828 33.3074 172.5707 761 T 4.7932 8.6639 118.6306 62.8697 69.9935 173.4552 762 L 5.1608 9.2758 127.3403 52.8845 44.3246 175.2921 763 A 4.9070 8.9659 126.2598 50.2979 21.4787 175.3860 764 I 4.6565 8.9545 125.1593 58.6110 39.0781 173.5170 765 P 4.0672 0.0000 0.0000 62.9111 30.9837 176.8185 766 L 4.1435 8.5962 123.9230 56.7548 42.3950 177.0678 767 H 4.8444 7.8203 115.0903 54.0850 31.6473 174.0934 768 C 4.3195 8.8071 121.5980 59.2582 40.9187 174.6360 *776 Q 4.3226 8.0336 118.8185 55.3545 29.8598 173.7713 777 P 4.3068 0.0000 0.0000 62.5232 32.1790 175.0999 778 I 4.4289 8.5313 123.9142 61.3908 38.2757 176.1310 779 T 4.2952 9.2987 123.5498 65.0614 70.7640 174.1859 780 D 5.2736 7.9624 123.4721 52.4568 42.4028 176.8257 781 A 4.3189 8.8430 127.5445 54.4970 19.5671 177.0543 782 L 5.2778 7.7134 113.3416 54.3657 44.7153 175.5269 783 R 5.1863 9.2269 120.4872 55.0171 33.8987 173.5283 784 I 5.1285 9.5449 127.3967 59.8879 40.2978 174.5584 785 T 5.1865 8.2897 123.4455 62.0243 71.8303 173.2621 786 S 4.5165 8.4117 118.7641 58.3621 66.0703 175.0898 787 Q 4.6184 8.4458 119.0678 56.3209 30.6477 175.8848 788 N 5.2808 7.0700 115.9692 53.8168 42.0768 172.9955 789 L 4.7537 8.1819 125.1022 54.7218 45.6520 172.8735 790 S 5.4909 8.6820 120.9173 57.0056 67.3090 173.1311 791 L 5.2005 9.0192 123.3327 55.0076 44.5087 173.8111 792 A 5.2967 8.9610 119.8092 50.4346 22.9526 175.2099 793 I 5.6663 9.2042 119.5270 59.9935 41.7209 174.5473 794 A 5.1919 9.5414 125.6662 50.8193 23.2364 175.2437 795 D 4.3061 8.6014 116.0316 55.3979 38.1708 174.1847 796 V 4.7547 8.4605 119.5970 61.8599 33.5454 175.4560 797 A 5.0069 9.1746 128.7417 50.5068 23.2708 174.9704 798 L 4.4152 8.5831 120.9767 54.7461 42.9213 176.2207 799 T 5.4280 8.9423 117.2875 60.7980 70.8440 174.1232 800 I 4.5020 8.8197 119.8214 61.8222 38.9404 176.0588 801 K 4.4996 7.9934 121.8966 53.8744 34.8462 174.3528 802 P 4.0387 0.0000 0.0000 62.3381 31.8097 176.3229 803 S 4.2805 8.6880 116.0650 58.3205 63.5495 175.0819 804 D 4.3114 8.7234 121.2657 57.7558 40.5719 177.5026 805 D 4.7790 7.9277 115.6428 54.1829 40.9332 176.5342 806 S 4.6491 7.6480 114.1936 58.3835 64.3281 173.5580 807 I 4.4290 8.7070 122.8668 59.7123 39.2063 175.0320 808 S 4.7962 8.6418 124.0553 58.1550 63.3366 175.4271 809 L 4.4194 8.5532 127.9885 53.5794 39.2810 176.9953 810 T 4.1360 7.8117 112.1394 60.9726 70.0182 175.9545 811 C 4.4204 8.4138 119.4689 56.5757 40.8564 173.8990 812 A 4.2357 8.3035 126.1570 52.0229 18.7827 177.6285 813 K 4.1369 8.5111 121.4028 56.6264 32.3050 176.5531 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 632 S 8.33 4.50 0.00 4.01 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 633 D 7.99 4.61 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 634 S 8.20 5.34 0.00 3.98 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 0.00 635 H 9.37 4.98 0.00 3.50 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 636 P 0.00 4.52 0.00 2.02 1.97 0.00 3.66 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 1.84 1.93 0.00 637 L 9.04 4.42 0.00 1.61 1.52 0.82 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 0.00 638 F 7.91 5.01 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 639 V 7.59 4.23 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 0.80 0.00 0.00 0.92 0.00 0.00 640 R 9.04 4.11 0.00 1.78 1.90 0.00 2.63 0.00 0.00 2.88 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 641 S 6.54 4.55 0.00 3.93 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 0.00 642 L 8.63 4.30 0.00 1.72 1.62 0.95 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 643 A 8.63 4.21 1.21 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 0.00 644 K 8.73 3.80 0.00 1.77 1.92 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.45 7.81 645 N 8.23 4.68 0.00 2.87 2.88 0.00 0.00 6.85 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 0.00 646 M 7.64 5.29 0.00 1.61 1.79 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 647 T 8.47 4.65 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 1.32 0.00 0.00 648 W 8.69 5.02 0.00 3.49 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 0.00 649 Q 9.49 5.05 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 650 L 9.35 4.74 0.00 1.54 1.52 0.99 0.48 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 0.00 651 A 8.98 4.88 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 0.00 652 D 8.23 4.56 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.23 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 1.23 0.00 0.00 654 S 8.16 4.48 0.00 4.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 655 T 8.28 4.36 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 656 Q 8.15 4.56 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 657 K 8.60 4.68 0.00 1.75 1.68 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.42 7.81 658 V 8.60 4.37 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 0.85 0.00 0.00 1.00 0.00 0.00 659 L 8.66 5.16 0.00 1.57 1.64 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 660 A 9.35 4.94 1.31 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 0.00 0.00 0.00 661 S 9.04 4.75 0.00 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 662 G 7.91 4.32 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 0.00 663 A 9.00 4.30 1.30 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 0.00 0.00 664 S 7.52 4.85 0.00 3.83 3.71 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 0.00 665 A 8.44 4.67 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 0.00 666 T 8.22 5.06 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 1.17 0.00 0.00 667 S 8.76 4.33 0.00 3.93 4.04 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 0.00 668 G 9.04 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 0.00 0.00 0.00 669 D 9.02 4.49 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 670 K 8.25 4.05 0.00 1.94 1.99 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.53 7.81 671 Q 7.91 4.47 0.00 1.83 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 672 S 9.28 4.34 0.00 3.70 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 673 L 8.00 4.83 0.00 1.37 1.22 -0.55 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 674 L 8.56 5.09 0.00 1.50 1.38 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 675 M 8.88 4.80 0.00 1.81 1.68 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.90 0.00 676 Q 8.46 4.79 0.00 1.98 2.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 751 S 7.96 3.65 0.00 3.95 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 0.00 752 Q 7.94 3.97 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 753 L 7.33 4.07 0.00 1.58 1.81 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 754 M 7.63 4.31 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.98 0.00 755 A 7.74 4.15 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 756 D 8.05 4.46 0.00 2.85 2.84 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 0.00 757 K 7.72 4.10 0.00 1.90 1.87 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.50 7.81 758 S 8.16 4.81 0.00 3.76 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 0.00 759 W 8.62 4.52 0.00 3.16 3.14 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 0.00 760 H 9.49 5.09 0.00 3.12 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 761 T 8.66 4.79 4.28 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 1.24 0.00 0.00 762 L 9.28 5.16 0.00 1.51 1.45 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 763 A 8.97 4.91 1.06 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 0.00 0.00 764 I 8.95 4.66 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.86 0.00 0.00 765 P 0.00 4.07 0.00 1.91 1.76 0.00 3.97 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 766 L 8.60 4.14 0.00 1.48 1.61 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 767 H 7.82 4.84 0.00 3.01 3.15 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 768 C 8.81 4.32 0.00 2.95 3.13 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 *776 Q 8.03 4.32 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 777 P 0.00 4.31 0.00 2.18 1.89 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 778 I 8.53 4.43 1.65 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 1.26 0.90 1.15 0.00 0.00 779 T 9.30 4.30 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 780 D 7.96 5.27 0.00 2.62 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 0.00 781 A 8.84 4.32 1.13 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 0.00 782 L 7.71 5.28 0.00 1.77 1.75 1.04 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 783 R 9.23 5.19 0.00 1.89 1.80 0.00 3.32 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 784 I 9.54 5.13 2.14 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 0.57 0.00 0.00 785 T 8.29 5.19 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 786 S 8.41 4.52 0.00 2.99 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 0.00 787 Q 8.45 4.62 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.45 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 788 N 7.07 5.28 0.00 2.72 2.58 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 789 L 8.18 4.75 0.00 1.27 0.99 0.67 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 790 S 8.68 5.49 0.00 3.84 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 0.00 791 L 9.02 5.20 0.00 1.98 1.83 1.31 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 792 A 8.96 5.30 1.11 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 0.00 0.00 793 I 9.20 5.67 2.24 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.02 1.29 0.00 0.00 794 A 9.54 5.19 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 795 D 8.60 4.31 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.46 4.75 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 1.11 0.00 0.00 1.20 0.00 0.00 797 A 9.17 5.01 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 0.00 798 L 8.58 4.42 0.00 0.66 0.13 0.76 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 799 T 8.94 5.43 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 800 I 8.82 4.50 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.84 0.98 0.00 0.00 801 K 7.99 4.50 0.00 1.77 1.82 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.37 7.81 802 P 0.00 4.04 0.00 1.92 1.51 0.00 3.49 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.11 0.00 803 S 8.69 4.28 0.00 4.02 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 0.00 804 D 8.72 4.31 0.00 2.68 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 0.00 805 D 7.93 4.78 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 806 S 7.65 4.65 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 807 I 8.71 4.43 1.88 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 1.24 0.67 0.91 0.00 0.00 808 S 8.64 4.80 0.00 3.78 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 809 L 8.55 4.42 0.00 1.35 1.42 -0.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 810 T 7.81 4.14 4.26 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 1.28 0.00 0.00 811 C 8.41 4.42 0.00 2.98 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 0.00 812 A 8.30 4.24 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 813 K 8.51 4.14 0.00 1.73 1.70 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.