NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 637 N 4.7074 8.2714 118.0755 53.5282 40.6739 172.9610 638 G 3.9890 7.9473 108.1537 45.2214 0.0000 166.7918 639 V 4.5608 8.6101 119.1604 60.8751 35.1645 172.3079 640 E 4.9978 8.7518 128.1014 54.8802 30.9247 174.8737 641 L 4.8626 8.8277 126.4456 52.6819 45.7905 176.0868 642 S 4.7213 8.7402 118.9120 58.8075 63.3292 173.4692 643 A 4.4980 8.2799 123.6906 51.2382 22.6671 175.6682 644 V 4.3524 7.9045 119.3869 61.1795 35.0550 175.3894 645 G 4.3428 7.8585 113.5663 45.9069 0.0000 171.9633 646 V 4.5555 8.2732 120.8243 60.9826 34.1723 177.0640 647 L 4.6527 8.7786 127.8317 54.7563 42.6426 176.3165 648 L 5.1246 9.2380 122.0755 52.4852 43.9821 173.8550 649 P 4.9021 0.0000 0.0000 62.8638 32.5207 175.6847 650 V 4.7256 8.8083 114.4733 59.9164 36.3927 174.6405 651 L 5.2795 8.2056 121.9337 52.0121 45.6873 174.6615 *653 D 4.5593 8.4959 118.2195 54.8571 42.0343 176.5437 654 S 4.6101 8.3715 124.1396 59.5318 62.1569 173.9858 655 G 3.7656 7.5816 105.1622 47.8743 0.0000 172.8792 656 R 4.4213 10.6400 118.7094 56.8092 32.0700 175.8580 657 R 4.6743 7.5228 115.7184 54.5088 33.4024 173.0086 658 I 4.7872 8.2576 123.7976 60.0673 38.5200 175.0913 659 S 4.8716 8.7604 120.4082 56.4239 66.8074 172.6163 660 G 4.2699 8.6399 106.2573 44.9943 0.0000 173.2814 661 G 4.3453 8.9576 107.6523 45.5498 0.0000 171.2988 662 A 5.0188 8.4033 120.0052 50.2084 22.6164 175.7063 663 F 5.0140 9.3428 119.2591 56.0713 43.5309 176.3344 *665 A 4.4379 8.5619 127.8401 53.0916 19.8373 175.7187 666 V 4.5274 9.0321 122.7355 62.0455 33.8422 175.3570 667 K 4.4705 8.6163 127.1137 57.5140 32.5705 177.2822 668 G 3.7450 9.2320 110.9757 44.8707 0.0000 172.7453 669 D 4.2431 8.1547 118.2591 53.0946 40.3926 175.5242 670 L 4.8191 8.4928 129.2555 54.2548 42.6621 179.3402 671 S 4.2191 7.9883 116.2469 60.5821 62.9484 175.7145 672 E 4.0279 7.8896 117.9641 58.3967 29.5473 176.9014 673 H 4.6063 8.0415 116.0896 55.6413 29.2415 175.0901 674 I 4.0224 7.3792 121.8389 61.4164 36.9128 175.8525 675 K 4.4387 9.5497 124.3694 55.7992 32.8823 175.2291 676 N 4.8345 7.8763 119.2246 50.9974 39.6917 173.4703 677 P 4.4849 0.0000 0.0000 64.4145 31.8004 177.4178 678 K 4.1603 8.9143 119.8086 58.6991 32.5395 176.9411 679 N 4.8450 7.8623 117.2625 54.0600 38.4112 175.1858 680 T 4.6803 7.7238 103.3411 61.5308 69.7363 174.2264 681 R 4.6630 8.3148 122.4435 55.6704 32.4944 174.6028 682 I 4.6958 8.2971 125.1012 59.3540 40.4299 174.5528 683 A 4.6630 8.5979 127.7244 50.3534 21.0818 175.4683 684 Q 4.8652 8.6733 122.3148 55.1667 30.3195 175.7549 685 T 4.7233 8.4241 113.8141 59.9706 71.1746 176.2702 686 V 3.5867 8.8354 116.0918 64.3209 31.6349 177.3230 687 A 4.3277 8.0049 120.5680 52.0559 18.3622 177.9238 688 G 3.8908 8.3331 105.8965 45.7229 0.0000 174.2801 689 G 4.3236 7.9879 107.6613 44.6438 0.0000 173.0765 690 T 5.1338 8.7356 115.4004 61.7934 72.8012 173.4524 691 I 4.8943 8.8417 127.3281 59.7725 40.0437 174.6014 692 Y 4.7069 9.2864 124.8498 56.8471 40.7670 176.8534 693 G 4.0684 9.1164 108.8759 45.2691 0.0000 173.8859 694 L 4.1017 7.3306 118.8361 53.8425 42.5293 175.7724 695 S 5.3165 7.7973 113.6855 55.1004 66.0622 174.5607 696 E 4.0704 8.4638 120.5424 55.9000 28.2568 177.7391 *698 V 3.9042 7.4688 116.5250 62.5718 32.9286 174.9525 699 N 4.5960 9.5072 124.7267 53.3636 38.7511 175.8872 700 I 3.8825 8.2749 130.3093 64.2338 37.1449 177.8393 701 D 4.3803 8.1740 118.6971 57.5132 40.8798 178.1103 702 E 4.0389 8.4495 119.1489 59.0807 29.7702 178.5036 703 A 4.1047 8.1202 120.9333 55.4044 18.5474 179.2746 704 E 4.2663 8.7375 116.4519 58.2876 29.3340 178.4378 705 K 4.3370 7.3908 116.8312 55.4064 32.9410 176.8353 706 L 4.1540 7.1980 120.2724 54.1274 42.5246 175.6589 707 P 4.6054 0.0000 0.0000 62.4406 31.2570 176.4571 708 I 4.5579 7.4524 119.2457 60.6522 39.0525 177.1681 709 K 4.4402 9.4423 124.8421 56.9446 33.7122 176.1392 710 G 4.5469 8.2614 106.5233 44.8903 0.0000 171.9612 711 A 5.3920 8.5366 121.2010 51.0083 21.0591 177.0248 712 I 5.1265 9.0414 122.2169 59.8177 41.4804 174.5408 713 T 5.0950 9.0635 123.0683 61.7771 71.5595 173.1330 714 V 4.5028 8.4859 126.7939 61.5805 32.3183 175.0348 715 L 4.9964 8.3956 127.2515 51.8430 45.5247 174.6455 716 P 3.1222 0.0000 0.0000 62.5124 31.9061 175.5238 717 V 4.7067 7.7550 112.6843 60.1170 35.1761 175.8477 718 V 4.5196 9.1688 116.5085 61.8328 33.6560 175.5663 719 Q 5.2599 7.9754 118.4952 54.5028 33.2737 173.4725 720 A 5.3148 9.1488 123.6478 50.8199 22.6848 175.2746 721 T 3.7880 8.7883 109.8471 58.8457 72.1043 174.5197 722 A 3.3411 6.6078 122.8238 55.1745 18.2216 178.7340 723 T 4.9181 7.3484 102.3079 61.2334 71.3184 173.7076 724 S 5.2092 8.1309 116.0677 57.4199 66.9839 172.7921 725 I 5.1247 8.9170 113.8524 59.2111 41.7923 173.5378 726 L 5.0347 8.7942 124.8455 53.3763 44.4275 174.9786 727 V 4.8533 8.9416 127.4195 59.7013 33.1364 173.6532 728 P 4.7480 0.0000 0.0000 62.3950 32.2448 176.1874 729 D 4.3347 8.7559 120.3676 56.7722 40.9679 176.5998 730 N 4.6511 7.9707 116.3619 52.3616 38.2351 174.0143 731 Q 4.7610 8.3557 122.4990 53.2035 31.4083 174.1660 732 P 4.6511 0.0000 0.0000 62.0139 33.0873 175.6991 733 Q 4.2704 8.5693 122.5004 56.3137 30.2148 174.4140 734 L 4.5775 9.1162 129.0915 53.9940 43.2170 175.5089 735 A 4.4358 8.0826 126.8999 51.2831 22.6780 177.3404 736 F 4.3449 8.9823 118.1277 57.1959 37.3957 175.1054 737 N 4.7036 8.5327 118.3135 53.4629 39.7832 175.8306 738 S 4.2844 7.9698 112.9590 59.1701 63.4224 175.3730 739 W 4.4787 7.4531 118.3311 57.9895 28.9343 178.2070 740 E 3.3752 7.2541 119.5762 59.0943 28.6204 178.7335 741 A 3.9018 8.0452 120.7644 55.0804 18.4085 179.5186 742 A 3.9516 8.0198 118.4942 55.3303 18.5748 179.5615 743 A 4.0968 8.2877 119.2897 55.5437 17.9983 179.7072 744 C 4.1322 8.4651 115.2404 62.9726 28.0053 176.2381 745 A 4.0682 8.0834 121.1216 55.0729 18.1027 179.2579 746 A 4.1334 8.8134 119.7805 55.2883 18.2249 179.3327 747 D 4.4074 8.2704 116.1184 56.7467 41.2804 177.6381 748 T 4.6398 7.1403 106.4308 60.1060 69.2823 173.8548 749 L 4.0957 7.2633 124.4729 55.7929 42.1392 176.4426 750 E 4.6312 8.7439 124.5035 56.1729 30.4497 176.9214 751 S 4.2119 7.9499 113.9296 59.0949 63.6364 175.0796 752 Q 3.9430 8.5455 119.4795 55.8836 27.4514 172.4338 753 Q 4.7805 7.5010 113.3792 54.6435 32.3432 175.1020 754 T 4.4946 8.7881 119.8891 62.9554 68.9770 172.9224 755 P 4.5498 0.0000 0.0000 62.8121 32.4184 176.6915 756 F 3.7592 8.5633 125.9332 55.5309 37.0369 174.5560 757 L 3.9364 6.9012 120.6327 54.2948 45.6991 172.8711 *759 V 4.0289 7.8584 115.8550 63.2364 32.6840 175.0481 760 T 4.8133 9.5021 120.0742 59.6700 70.5249 172.3293 761 G 4.3247 7.6857 115.5231 43.9077 0.0000 172.2643 762 A 4.5901 7.7441 124.0814 50.7897 20.1623 176.6509 763 V 4.7624 8.7554 119.7036 60.8028 34.1967 175.2697 764 E 4.4084 9.0525 124.5128 55.9983 32.4300 175.6393 765 S 3.5334 9.8064 121.6229 59.5681 60.5622 172.8348 766 G 3.9361 7.9433 104.5293 45.9294 0.0000 171.7670 767 N 5.4826 7.8253 116.3282 50.8405 42.6955 173.7399 768 L 4.5999 8.5641 122.1407 54.4683 42.2872 177.5171 769 S 4.4238 8.5610 120.1752 57.6507 63.6639 172.7074 770 P 4.3105 0.0000 0.0000 62.9589 31.6159 175.5275 771 N 4.7125 8.3921 118.3992 52.9485 40.1789 174.3665 772 L 4.5005 8.4762 122.7728 55.9121 43.5058 177.7472 773 L 4.7078 7.5856 115.7095 54.1884 42.7718 178.0936 774 A 3.9907 8.7643 124.6862 55.2362 18.1286 180.7632 775 V 3.5039 7.7150 116.1392 66.4124 31.7236 178.1259 776 Q 4.0287 8.0710 117.1853 58.9774 28.5186 178.9155 777 K 4.0686 8.2098 119.5812 59.1391 32.0068 179.4433 778 Q 3.9875 8.5703 118.8927 59.1216 28.4873 178.9615 779 L 4.0029 7.9274 118.4285 57.1483 41.7796 178.6933 780 L 4.5800 7.9813 116.2582 54.8114 42.8986 176.3926 781 V 4.3086 7.5469 115.5751 64.4244 33.9101 177.2414 782 A 4.0631 8.5335 122.2117 55.2096 19.0082 179.9260 783 K 3.9706 8.4448 115.8370 59.0692 32.1999 177.9562 784 P 4.2499 0.0000 0.0000 65.3222 31.3070 176.9585 785 A 4.0378 7.8957 120.0049 52.1579 18.7170 177.0743 786 G 3.8736 7.8248 103.4936 46.5322 0.0000 173.5263 787 I 4.1270 7.7486 117.9635 58.1412 41.2060 175.2064 788 G 3.7790 8.2096 114.4550 46.2282 0.0000 172.3150 789 L 4.9051 8.2928 121.6341 52.8867 45.6916 174.7558 790 A 5.2150 8.3035 126.7877 50.6391 21.7220 175.3088 791 A 4.6450 8.2966 121.2422 51.7965 23.4617 175.8265 792 N 5.2485 8.3765 119.2669 50.7747 36.9510 173.8986 793 S 4.5533 7.5033 114.1475 57.1444 65.7251 174.4354 794 D 4.7076 8.7214 125.2547 54.0779 39.5921 176.6496 795 R 4.4219 8.1383 118.1167 56.1147 30.1683 175.0969 796 A 4.7955 7.4339 119.8132 49.8449 22.8263 175.7557 797 L 4.0945 8.8874 120.2744 54.7242 42.7511 176.6095 798 K 4.7007 8.5705 129.0894 56.4048 32.8232 176.4170 799 V 4.4710 8.7193 120.1900 59.8905 35.4252 176.1354 800 V 4.1764 9.9346 124.4338 63.6810 34.1741 175.6539 801 T 4.9938 7.8266 108.9119 59.4234 71.3011 175.0440 802 L 3.9798 8.4985 123.1918 57.9208 41.4093 179.4900 803 E 3.9226 8.1786 118.7699 59.5625 29.6409 178.8383 804 Q 4.0022 8.1933 117.9358 58.7849 28.7270 178.5257 805 L 3.9476 8.0240 121.3901 58.1996 41.9256 179.0529 806 R 3.9514 8.0923 117.2866 59.5568 29.9635 178.7479 807 Q 4.1412 7.9253 117.5012 59.0245 28.5061 179.0083 808 V 3.6447 7.5714 118.0591 65.7081 31.6728 177.8829 809 V 4.0338 7.7504 110.4152 62.7395 31.6834 178.1916 810 G 3.8776 7.6918 105.2780 46.3435 0.0000 173.4251 811 D 4.8691 7.7023 118.6917 52.1365 41.3352 174.6850 812 K 4.6231 7.6774 121.5070 52.8856 33.0858 174.2066 813 P 4.7495 0.0000 0.0000 61.9943 32.2893 177.2332 814 W 3.1820 8.6753 120.0969 56.2893 28.9399 176.9228 815 R 4.0184 6.4317 122.7903 57.1474 30.0399 176.0648 816 K 4.6575 6.7282 115.5041 54.3246 35.6338 174.3511 817 P 4.2939 0.0000 0.0000 64.8470 31.7297 176.6967 *819 V 4.0807 7.4875 112.8103 61.4997 33.0978 174.4411 820 T 4.9564 8.0168 112.7010 59.9834 71.7647 172.8337 821 F 5.0623 8.9056 120.3049 55.8058 43.2490 175.1572 822 S 4.4246 8.9603 116.9295 58.5221 63.4585 173.9397 823 S 4.8514 8.3993 116.8696 56.7714 65.2485 173.0562 824 G 4.2163 8.1495 108.6320 44.4621 0.0000 172.3857 825 K 4.3974 8.4715 118.2241 56.0189 32.9263 175.6583 826 N 4.7958 7.7986 114.7167 52.7090 40.0107 174.8779 827 V 3.5871 8.3311 119.7778 63.6910 32.1849 174.9705 828 A 4.5850 9.4881 130.6336 50.9198 20.6297 175.8816 829 Q 4.1569 9.1158 123.2487 54.6368 30.2355 176.1346 830 A 4.6574 8.2103 125.5757 51.0927 18.8962 176.3420 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 637 N 8.27 4.71 0.00 2.69 3.07 0.00 0.00 6.73 6.70 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 0.00 638 G 7.95 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 0.00 0.00 0.00 639 V 8.61 4.56 2.02 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 0.93 0.00 0.00 0.93 0.00 0.00 640 E 8.75 5.00 0.00 1.99 1.79 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 2.34 2.29 0.00 641 L 8.83 4.86 0.00 1.49 1.41 0.68 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 642 S 8.74 4.72 0.00 3.73 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 0.00 643 A 8.28 4.50 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 644 V 7.90 4.35 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 1.00 0.00 0.00 0.98 0.00 0.00 645 G 7.86 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.27 4.56 2.33 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 0.86 0.00 0.00 0.99 0.00 0.00 647 L 8.78 4.65 0.00 1.62 1.58 1.20 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 648 L 9.24 5.12 0.00 1.76 1.80 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 649 P 0.00 4.90 0.00 2.10 2.07 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 650 V 8.81 4.73 2.03 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 0.62 0.00 0.00 1.11 0.00 0.00 651 L 8.21 5.28 0.00 1.62 1.61 0.95 0.87 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 *653 D 8.50 4.56 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 654 S 8.37 4.61 0.00 4.07 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 0.00 655 G 7.58 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 0.00 0.00 0.00 656 R 10.64 4.42 0.00 1.77 2.02 0.00 3.23 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 657 R 7.52 4.67 0.00 1.68 1.69 0.00 3.15 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 658 I 8.26 4.79 1.89 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 1.42 1.00 0.94 0.00 0.00 659 S 8.76 4.87 0.00 3.88 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 0.00 660 G 8.64 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 661 G 8.96 4.35 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 0.00 662 A 8.40 5.02 -0.03 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 0.00 0.00 663 F 9.34 5.01 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.44 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 0.00 666 V 9.03 4.53 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.99 0.00 0.00 667 K 8.62 4.47 0.00 1.72 1.77 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.45 7.81 668 G 9.23 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 0.00 0.00 0.00 669 D 8.15 4.24 0.00 2.48 2.48 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 0.00 0.00 0.00 0.00 670 L 8.49 4.82 0.00 1.66 1.62 0.92 0.70 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 0.00 671 S 7.99 4.22 0.00 3.95 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 0.00 672 E 7.89 4.03 0.00 1.96 1.99 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 1.78 2.06 0.00 673 H 8.04 4.61 0.00 3.21 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 674 I 7.38 4.02 1.96 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 1.31 0.46 1.00 0.00 0.00 675 K 9.55 4.44 0.00 1.73 1.76 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.47 7.81 676 N 7.88 4.83 0.00 2.85 2.69 0.00 0.00 6.87 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 0.00 677 P 0.00 4.48 0.00 2.22 2.16 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770 P 0.00 4.31 0.00 2.15 2.03 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 771 N 8.39 4.71 0.00 2.70 2.83 0.00 0.00 6.92 7.78 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 0.00 772 L 8.48 4.50 0.00 1.63 1.65 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 773 L 7.59 4.71 0.00 1.67 1.62 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 774 A 8.76 3.99 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 0.00 775 V 7.72 3.50 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 1.06 0.00 0.00 0.93 0.00 0.00 776 Q 8.07 4.03 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 777 K 8.21 4.07 0.00 1.82 1.86 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 778 Q 8.57 3.99 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.65 0.00 779 L 7.93 4.00 0.00 1.78 1.74 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 780 L 7.98 4.58 0.00 1.73 1.74 0.94 0.75 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 0.00 781 V 7.55 4.31 2.27 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 1.16 0.00 0.00 1.00 0.00 0.00 782 A 8.53 4.06 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 0.00 783 K 8.44 3.97 0.00 1.87 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.53 7.81 784 P 0.00 4.25 0.00 2.19 2.20 0.00 3.86 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 2.14 2.10 0.00 785 A 7.90 4.04 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 0.00 786 G 7.82 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 787 I 7.75 4.13 1.34 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.36 0.90 0.00 0.00 788 G 8.21 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 0.00 0.00 0.00 789 L 8.29 4.91 0.00 1.69 1.43 0.90 0.84 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 0.00 790 A 8.30 5.22 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 0.00 791 A 8.30 4.64 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 792 N 8.38 5.25 0.00 2.78 2.83 0.00 0.00 7.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 793 S 7.50 4.55 0.00 3.83 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 794 D 8.72 4.71 0.00 2.79 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 0.00 795 R 8.14 4.42 0.00 1.80 1.96 0.00 3.10 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 796 A 7.43 4.80 1.18 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 0.00 0.00 797 L 8.89 4.09 0.00 1.66 1.66 0.90 0.46 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 0.00 798 K 8.57 4.70 0.00 1.91 1.70 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 799 V 8.72 4.47 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.91 0.00 0.00 800 V 9.93 4.18 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 1.06 0.00 0.00 0.92 0.00 0.00 801 T 7.83 4.99 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 802 L 8.50 3.98 0.00 1.71 1.76 0.91 0.73 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 0.00 803 E 8.18 3.92 0.00 2.07 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 0.00 2.38 2.47 0.00 804 Q 8.19 4.00 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 805 L 8.02 3.95 0.00 1.76 1.83 0.92 0.82 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 0.00 806 R 8.09 3.95 0.00 1.95 2.01 0.00 3.23 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 807 Q 7.93 4.14 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 808 V 7.57 3.64 2.29 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 0.83 0.00 0.00 0.93 0.00 0.00 809 V 7.75 4.03 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 0.83 0.00 0.00 1.03 0.00 0.00 810 G 7.69 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 0.00 811 D 7.70 4.87 0.00 2.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.68 4.62 0.00 1.81 1.85 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.36 7.81 813 P 0.00 4.75 0.00 2.21 2.12 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 814 W 8.68 3.18 0.00 3.24 3.35 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 0.00 815 R 6.43 4.02 0.00 1.60 1.89 0.00 3.33 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 816 K 6.73 4.66 0.00 1.82 1.72 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.39 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.31 1.53 7.81 817 P 0.00 4.29 0.00 2.19 2.20 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 *819 V 7.49 4.08 1.70 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 0.93 0.00 0.00 1.31 0.00 0.00 820 T 8.02 4.96 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 1.17 0.00 0.00 821 F 8.91 5.06 0.00 2.93 2.98 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 0.00 822 S 8.96 4.42 0.00 4.10 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 0.00 823 S 8.40 4.85 0.00 3.95 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 0.00 824 G 8.15 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 0.00 0.00 0.00 0.00 825 K 8.47 4.40 0.00 1.71 1.81 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.43 7.81 826 N 7.80 4.80 0.00 2.64 2.85 0.00 0.00 6.88 7.68 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 0.00 827 V 8.33 3.59 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 0.59 0.00 0.00 0.91 0.00 0.00 828 A 9.49 4.59 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 829 Q 9.12 4.16 0.00 2.07 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.11 2.40 0.00 830 A 8.21 4.66 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 * Residues marked with a * may have inaccurate shift predictions.