==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-FEB-12 4DQL . COMPND 2 MOLECULE: BIFUNCTIONAL P-450/NADPH-P450 REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR M.G.JOYCE,D.LEYS . 757 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37266.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 26 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 2 6 3 7 0 2 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 2 6 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 661 A G 0 0 101 0, 0.0 211,-0.2 0, 0.0 209,-0.1 0.000 360.0 360.0 360.0 93.8 -9.5 62.9 18.8 2 662 A A - 0 0 59 209,-0.1 2,-0.3 207,-0.1 209,-0.2 -0.137 360.0-176.1 -71.9 150.5 -10.7 62.8 22.4 3 663 A F E -A 210 0A 43 207,-2.2 207,-2.3 205,-0.0 2,-0.5 -0.928 23.7-120.3-136.6 167.4 -10.2 59.8 24.7 4 664 A S E +A 209 0A 79 -2,-0.3 2,-0.3 205,-0.2 205,-0.2 -0.922 42.1 152.4-117.1 129.7 -11.3 59.0 28.3 5 665 A T E -A 208 0A 13 203,-2.6 203,-3.0 -2,-0.5 2,-0.3 -0.825 37.8 -87.6-150.3 173.7 -8.7 58.3 30.9 6 666 A N E -A 207 0A 56 -2,-0.3 22,-2.5 201,-0.2 2,-0.5 -0.723 24.8-124.9 -99.0 147.8 -8.0 58.5 34.6 7 667 A V E -D 27 0B 1 199,-2.5 198,-2.5 -2,-0.3 20,-0.3 -0.742 22.4-176.0 -78.8 124.8 -6.6 61.1 36.8 8 668 A V E + 0 0 33 18,-2.6 2,-0.3 -2,-0.5 19,-0.2 0.724 67.8 9.4 -96.7 -23.9 -3.6 59.7 38.7 9 669 A A E +D 26 0B 34 17,-1.5 17,-2.1 194,-0.1 2,-0.3 -0.986 54.6 176.6-154.1 152.7 -2.9 62.8 40.9 10 670 A S E +D 25 0B 28 -2,-0.3 2,-0.3 15,-0.2 194,-0.2 -0.887 23.6 143.8-156.3 120.9 -4.6 66.1 41.8 11 671 A K E -D 24 0B 124 13,-2.1 13,-2.7 -2,-0.3 2,-0.4 -0.980 46.8 -91.5-161.2 168.6 -3.3 68.5 44.3 12 672 A E E -D 23 0B 69 -2,-0.3 11,-0.2 11,-0.2 9,-0.0 -0.696 22.5-174.0 -88.9 132.6 -2.7 72.0 45.4 13 673 A L + 0 0 24 9,-2.6 263,-0.2 -2,-0.4 10,-0.1 0.717 63.3 78.8 -95.5 -25.7 0.5 73.9 44.5 14 674 A Q S S- 0 0 12 8,-0.6 259,-0.2 1,-0.1 3,-0.1 -0.344 88.1 -96.6 -83.7 166.1 0.0 77.0 46.4 15 675 A Q > - 0 0 99 257,-2.7 3,-2.5 1,-0.1 5,-0.1 -0.420 44.2 -85.9 -82.9 157.2 0.6 77.3 50.2 16 676 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.330 117.6 29.5 -57.4 136.0 -1.9 77.0 53.0 17 677 A G T 3 S+ 0 0 84 1,-0.3 2,-0.2 -3,-0.1 255,-0.1 0.282 83.1 133.7 94.9 -12.7 -3.4 80.4 53.5 18 678 A S < - 0 0 25 -3,-2.5 -1,-0.3 254,-0.2 -4,-0.0 -0.487 56.3-140.4 -65.4 144.7 -3.1 81.7 49.9 19 679 A A S S+ 0 0 100 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.493 82.7 62.8 -77.9 -2.1 -6.2 83.3 48.7 20 680 A R - 0 0 105 -5,-0.1 2,-0.4 252,-0.0 -2,-0.1 -0.816 68.4-143.8-125.6 162.7 -5.5 81.5 45.2 21 681 A S + 0 0 28 158,-0.4 158,-2.4 -2,-0.3 2,-0.4 -0.975 14.6 176.2-129.8 143.8 -5.3 78.1 43.9 22 682 A T E - E 0 178B 5 -2,-0.4 -9,-2.6 156,-0.2 -8,-0.6 -0.963 23.3-149.2-140.1 130.6 -3.2 76.5 41.2 23 683 A R E -DE 12 177B 44 154,-2.5 154,-2.7 -2,-0.4 2,-0.5 -0.695 9.9-153.4-107.9 151.0 -3.5 72.8 40.7 24 684 A H E -DE 11 176B 8 -13,-2.7 -13,-2.1 -2,-0.3 2,-0.4 -0.987 21.7-179.9-117.1 126.8 -1.2 70.1 39.6 25 685 A L E -DE 10 175B 0 150,-2.0 150,-2.0 -2,-0.5 2,-0.4 -0.985 17.5-154.7-129.0 141.1 -2.8 67.1 37.9 26 686 A E E -DE 9 174B 33 -17,-2.1 -18,-2.6 -2,-0.4 -17,-1.5 -0.961 15.3-168.0-115.7 138.0 -1.3 64.0 36.5 27 687 A I E -DE 7 173B 1 146,-2.6 146,-2.2 -2,-0.4 -20,-0.2 -0.975 17.9-126.4-131.8 134.9 -3.2 62.1 33.8 28 688 A E E - E 0 172B 84 -22,-2.5 144,-0.2 -2,-0.4 143,-0.0 -0.537 21.0-147.8 -84.2 143.9 -2.7 58.6 32.4 29 689 A L - 0 0 5 142,-3.0 -24,-0.0 -2,-0.2 -1,-0.0 -0.931 10.7-129.7-112.6 137.6 -2.3 58.2 28.6 30 690 A P > - 0 0 36 0, 0.0 3,-1.6 0, 0.0 -25,-0.0 -0.263 35.4 -96.4 -71.7 171.6 -3.5 55.2 26.6 31 691 A K T 3 S+ 0 0 79 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.883 122.1 57.3 -53.9 -44.2 -1.2 53.3 24.2 32 692 A E T 3 S+ 0 0 172 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.603 98.4 74.4 -68.8 -13.2 -2.6 55.2 21.1 33 693 A A < + 0 0 11 -3,-1.6 2,-0.3 178,-0.0 -4,-0.1 -0.746 54.2 163.9-103.7 149.6 -1.6 58.6 22.6 34 694 A S - 0 0 68 -2,-0.3 2,-0.3 137,-0.0 137,-0.1 -0.978 10.7-166.9-151.6 161.3 1.8 60.2 22.9 35 695 A Y - 0 0 2 135,-0.3 2,-0.3 -2,-0.3 3,-0.1 -0.926 10.8-148.2-146.2 174.8 3.3 63.6 23.6 36 696 A Q > - 0 0 101 -2,-0.3 3,-1.9 1,-0.1 126,-0.1 -0.908 45.3 -78.4-132.8 158.1 6.3 65.9 23.5 37 697 A E T 3 S+ 0 0 15 -2,-0.3 182,-0.2 1,-0.3 3,-0.1 -0.181 119.4 32.4 -52.9 148.9 7.5 68.8 25.6 38 698 A G T 3 S+ 0 0 3 124,-0.4 -1,-0.3 1,-0.2 182,-0.1 0.346 91.4 128.1 77.2 -6.0 5.7 72.0 24.6 39 699 A D < - 0 0 12 -3,-1.9 123,-2.4 175,-0.1 2,-0.3 -0.339 52.5-129.7 -74.0 163.0 2.5 70.0 23.7 40 700 A H E -BC 161 213A 26 173,-3.4 173,-3.1 121,-0.2 2,-0.6 -0.875 3.3-136.6-110.6 148.2 -1.0 71.0 25.0 41 701 A L E -BC 160 212A 1 119,-2.8 119,-1.9 -2,-0.3 2,-0.5 -0.927 17.3-149.4 -98.9 119.7 -3.6 68.9 26.7 42 702 A G E -BC 159 211A 0 169,-3.3 169,-1.9 -2,-0.6 2,-0.4 -0.799 15.6-164.1 -85.2 122.5 -7.1 69.7 25.4 43 703 A V E -BC 158 210A 0 115,-3.1 115,-2.6 -2,-0.5 167,-0.2 -0.975 15.4-149.6-113.8 128.9 -9.6 69.1 28.2 44 704 A I - 0 0 53 165,-2.0 165,-0.5 -2,-0.4 2,-0.1 -0.895 33.7-153.7 -91.3 110.4 -13.4 68.8 27.5 45 705 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 150,-0.1 -0.426 11.0-130.2 -89.6 166.1 -14.7 70.2 30.7 46 706 A R - 0 0 99 148,-0.2 2,-0.4 149,-0.1 152,-0.1 -0.835 29.4-109.3-104.9 153.3 -17.9 69.7 32.7 47 707 A N - 0 0 6 -2,-0.3 5,-0.0 34,-0.1 147,-0.0 -0.617 41.2-109.6 -81.7 133.9 -20.0 72.5 34.0 48 708 A Y >> - 0 0 20 -2,-0.4 4,-2.0 144,-0.1 3,-1.2 -0.246 23.8-111.2 -69.6 155.1 -19.9 72.8 37.7 49 709 A E H 3> S+ 0 0 150 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.864 111.2 57.6 -51.6 -48.1 -22.8 72.0 39.9 50 710 A G H 3> S+ 0 0 35 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.834 109.5 44.2 -55.6 -36.4 -23.6 75.5 41.1 51 711 A I H <> S+ 0 0 0 -3,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.893 112.3 51.1 -82.1 -37.0 -24.1 76.8 37.6 52 712 A V H >X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 3,-0.7 0.956 109.4 52.6 -57.8 -42.2 -26.2 73.7 36.5 53 713 A N H 3X S+ 0 0 74 -4,-2.9 4,-2.3 1,-0.3 -1,-0.2 0.797 103.0 58.3 -72.8 -26.2 -28.4 74.3 39.6 54 714 A R H 3X S+ 0 0 58 -4,-1.1 4,-1.6 -5,-0.2 -1,-0.3 0.874 107.7 46.2 -67.7 -39.4 -28.9 77.9 38.5 55 715 A V H S+ 0 0 13 -4,-2.3 5,-2.6 1,-0.3 4,-0.7 0.878 112.9 49.4 -66.5 -33.0 -32.6 74.2 36.8 57 717 A A H ><5S+ 0 0 80 -4,-2.3 3,-0.5 1,-0.2 -1,-0.3 0.882 109.7 52.4 -67.5 -40.2 -33.8 76.6 39.5 58 718 A R H 3<5S+ 0 0 42 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.824 116.4 37.3 -69.0 -33.8 -34.6 79.2 36.9 59 719 A F H 3<5S- 0 0 35 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.395 109.3-120.0 -95.6 -1.4 -36.7 76.9 34.7 60 720 A G T <<5 + 0 0 70 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.2 0.838 64.2 143.0 68.8 38.7 -38.3 75.1 37.7 61 721 A L < - 0 0 59 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.2 -0.749 55.3-118.4-115.9 156.4 -36.9 71.7 36.7 62 722 A D > - 0 0 103 -2,-0.3 3,-1.8 1,-0.1 15,-0.4 -0.744 24.5-131.4 -84.3 130.8 -35.6 68.7 38.4 63 723 A A T 3 S+ 0 0 25 -2,-0.4 15,-2.7 1,-0.3 14,-0.3 0.870 106.9 50.0 -48.1 -38.0 -32.0 67.9 37.4 64 724 A S T 3 S+ 0 0 64 13,-0.2 -1,-0.3 12,-0.2 2,-0.2 0.477 76.9 130.2 -87.0 -3.0 -33.0 64.2 36.7 65 725 A Q < - 0 0 101 -3,-1.8 12,-1.3 11,-0.1 2,-0.4 -0.354 55.8-133.3 -58.8 122.3 -36.0 64.9 34.5 66 726 A Q E +F 76 0C 100 10,-0.2 2,-0.3 -2,-0.2 10,-0.2 -0.599 35.4 168.6 -77.4 128.6 -35.8 62.9 31.3 67 727 A I E -F 75 0C 42 8,-2.2 8,-2.2 -2,-0.4 2,-0.4 -0.937 27.8-143.7-140.9 163.3 -36.5 64.9 28.1 68 728 A R - 0 0 166 -2,-0.3 2,-0.2 6,-0.2 6,-0.1 -0.986 14.2-150.4-132.5 122.4 -36.3 64.7 24.4 69 729 A L 0 0 57 4,-0.5 4,-0.0 -2,-0.4 -2,-0.0 -0.601 360.0 360.0 -93.3 154.9 -35.4 67.6 22.0 70 730 A E 0 0 153 -2,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.126 360.0 360.0-136.4 360.0 -36.7 68.0 18.4 71 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 72 742 A A 0 0 101 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 43.7 -33.9 62.6 19.3 73 743 A K - 0 0 78 -6,-0.1 -4,-0.5 -4,-0.0 2,-0.4 -0.776 360.0-102.1-104.5 161.3 -33.0 60.3 22.3 74 744 A T + 0 0 92 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.2 -0.789 50.2 161.1 -86.5 138.1 -34.2 60.8 25.9 75 745 A V E -F 67 0C 39 -8,-2.2 -8,-2.2 -2,-0.4 5,-0.0 -0.974 40.2 -90.9-148.8 146.3 -31.5 62.3 28.3 76 746 A S E > -F 66 0C 11 -2,-0.3 4,-2.4 -10,-0.2 -10,-0.2 -0.268 27.1-122.5 -62.2 153.3 -31.6 64.1 31.6 77 747 A V H > S+ 0 0 0 -12,-1.3 4,-1.7 -15,-0.4 -13,-0.2 0.947 115.1 53.1 -55.5 -51.2 -31.8 67.9 32.0 78 748 A E H 4 S+ 0 0 86 -15,-2.7 -1,-0.2 1,-0.2 -14,-0.1 0.864 111.6 47.1 -59.9 -37.0 -28.5 67.9 34.1 79 749 A E H >4 S+ 0 0 71 -16,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.866 106.0 55.3 -73.9 -35.2 -26.8 65.9 31.2 80 750 A L H >< S+ 0 0 20 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.839 100.7 62.4 -61.1 -31.3 -28.0 68.1 28.5 81 751 A L T 3< S+ 0 0 0 -4,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.489 91.1 67.0 -75.9 -2.1 -26.4 71.0 30.4 82 752 A Q T < S+ 0 0 28 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.384 93.9 60.1 -93.4 1.7 -23.0 69.3 30.0 83 753 A Y S < S+ 0 0 146 -3,-1.5 72,-2.0 -4,-0.2 2,-0.3 0.490 99.6 57.3-105.7 -9.7 -23.0 69.9 26.3 84 754 A V B S-G 154 0D 12 70,-0.3 2,-0.5 -3,-0.3 70,-0.3 -0.867 81.4-105.1-127.0 158.7 -23.3 73.7 26.1 85 755 A E - 0 0 1 68,-2.3 3,-0.1 -2,-0.3 -3,-0.1 -0.733 27.6-174.2 -80.6 130.1 -21.5 76.8 27.3 86 756 A L S S+ 0 0 5 -2,-0.5 46,-0.4 1,-0.1 -1,-0.1 0.496 74.2 41.3-105.3 -5.4 -23.4 78.5 30.2 87 757 A Q S S+ 0 0 11 43,-0.1 -1,-0.1 45,-0.1 3,-0.1 0.126 72.1 124.5-142.7 33.2 -21.4 81.7 30.6 88 758 A D S S- 0 0 34 1,-0.1 43,-0.6 -3,-0.1 3,-0.1 -0.522 75.8 -83.7 -73.6 148.9 -20.5 83.1 27.3 89 759 A P B -H 130 0E 27 0, 0.0 41,-0.3 0, 0.0 -1,-0.1 -0.276 55.9 -93.2 -47.7 144.8 -21.6 86.7 26.7 90 760 A V - 0 0 0 39,-3.2 2,-0.1 34,-0.1 39,-0.1 -0.414 44.0-138.6 -64.6 135.6 -25.2 87.0 25.6 91 761 A T > - 0 0 57 -2,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.389 21.2-111.8 -90.6 162.1 -25.4 87.1 21.8 92 762 A R H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.829 120.0 54.9 -62.3 -29.9 -27.7 89.3 19.9 93 763 A T H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 109.6 48.4 -68.2 -44.3 -29.7 86.3 18.8 94 764 A Q H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.909 111.3 49.7 -60.8 -42.1 -30.2 85.4 22.4 95 765 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.877 111.1 48.3 -66.6 -46.3 -31.2 88.9 23.3 96 766 A R H X S+ 0 0 136 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.898 110.1 53.0 -58.7 -42.2 -33.7 89.1 20.5 97 767 A A H X S+ 0 0 17 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.871 112.1 45.3 -58.1 -39.3 -35.1 85.7 21.6 98 768 A M H >< S+ 0 0 0 -4,-1.9 3,-0.6 1,-0.2 44,-0.2 0.881 110.3 52.9 -73.4 -40.8 -35.5 87.0 25.2 99 769 A A H >< S+ 0 0 3 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.894 104.7 55.3 -60.2 -43.4 -37.1 90.2 24.1 100 770 A A H 3< S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.762 112.5 45.2 -62.7 -24.5 -39.7 88.3 22.0 101 771 A K T << S+ 0 0 63 -4,-0.7 41,-3.0 -3,-0.6 2,-0.5 0.254 88.2 109.4-101.2 15.3 -40.7 86.4 25.2 102 772 A T < + 0 0 12 -3,-1.6 39,-0.2 39,-0.2 6,-0.1 -0.802 39.2 179.9-103.5 125.1 -40.8 89.3 27.6 103 773 A V + 0 0 95 -2,-0.5 -1,-0.1 37,-0.4 38,-0.1 0.396 62.5 82.4-107.1 3.5 -44.2 90.5 28.9 104 774 A C S >> S- 0 0 25 1,-0.1 4,-1.8 2,-0.0 3,-1.0 -0.923 74.0-147.1-101.4 109.0 -43.1 93.4 31.1 105 775 A P H 3> S+ 0 0 97 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.879 92.3 50.0 -53.8 -43.6 -42.7 96.3 28.7 106 776 A P H 3> S+ 0 0 88 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.860 109.3 54.2 -64.3 -29.8 -39.9 98.2 30.4 107 777 A H H <> S+ 0 0 67 -3,-1.0 4,-2.2 2,-0.2 5,-0.2 0.886 107.1 50.4 -70.3 -36.7 -37.9 94.9 30.6 108 778 A K H X S+ 0 0 77 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.887 107.3 54.3 -64.2 -38.8 -38.3 94.4 26.9 109 779 A V H X S+ 0 0 99 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.948 108.9 50.1 -60.1 -43.0 -37.0 98.0 26.3 110 780 A E H X S+ 0 0 88 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.904 110.4 47.5 -65.5 -45.8 -33.9 97.2 28.3 111 781 A L H < S+ 0 0 0 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.915 112.8 48.4 -59.0 -44.1 -33.2 94.0 26.5 112 782 A E H >< S+ 0 0 89 -4,-2.4 3,-1.8 1,-0.2 4,-0.4 0.858 103.7 62.9 -66.5 -31.6 -33.6 95.7 23.1 113 783 A A H >< S+ 0 0 50 -4,-2.4 3,-1.5 1,-0.3 6,-0.2 0.886 95.7 60.4 -60.2 -35.0 -31.3 98.5 24.3 114 784 A L T 3< S+ 0 0 13 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.489 89.7 69.8 -69.9 -10.3 -28.5 96.1 24.7 115 785 A L T < S+ 0 0 31 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.658 78.6 103.2 -77.9 -20.7 -28.6 95.2 21.0 116 786 A E S <> S- 0 0 132 -3,-1.5 4,-2.4 -4,-0.4 5,-0.3 -0.255 85.1-110.8 -67.5 155.7 -27.3 98.7 20.1 117 787 A K H > S+ 0 0 136 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.911 111.1 36.3 -55.7 -56.9 -23.7 99.1 19.1 118 788 A Q H > S+ 0 0 94 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.950 117.9 48.8 -67.2 -49.3 -22.3 100.9 22.1 119 789 A A H >>S+ 0 0 17 1,-0.2 4,-3.5 -6,-0.2 5,-1.0 0.921 111.7 51.1 -56.7 -39.4 -24.4 99.2 24.9 120 790 A Y H X>S+ 0 0 21 -4,-2.4 5,-3.2 -7,-0.2 4,-0.8 0.909 114.9 42.2 -66.0 -46.2 -23.6 95.8 23.5 121 791 A K H <>S+ 0 0 104 -4,-1.6 5,-1.9 -5,-0.3 -2,-0.2 0.936 126.4 31.5 -63.0 -49.2 -19.9 96.6 23.5 122 792 A E H <5S+ 0 0 110 -4,-3.2 -2,-0.2 3,-0.2 -3,-0.2 0.863 130.3 31.0 -83.7 -34.3 -19.8 98.3 26.8 123 793 A Q H <5S+ 0 0 96 -4,-3.5 6,-0.2 -5,-0.3 -3,-0.2 0.772 131.4 25.9-101.9 -30.1 -22.5 96.5 28.9 124 794 A V T XXS+ 0 0 0 -5,-1.0 5,-1.4 -4,-0.8 4,-0.8 0.872 128.5 31.6 -96.1 -61.3 -22.4 93.0 27.4 125 795 A L T >4 -H 89 0E 4 -2,-0.4 4,-2.1 -41,-0.3 5,-0.1 -0.484 24.3-117.6 -98.2 162.9 -24.6 86.1 30.0 131 801 A M H > S+ 0 0 4 -43,-0.6 4,-2.6 2,-0.2 5,-0.2 0.931 116.8 54.1 -59.0 -47.7 -28.1 84.9 28.8 132 802 A L H > S+ 0 0 2 -46,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.891 107.0 50.1 -56.7 -41.6 -28.5 83.0 32.1 133 803 A E H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.927 111.7 47.9 -66.5 -41.8 -27.7 86.1 34.2 134 804 A L H X S+ 0 0 2 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.868 108.7 53.3 -69.8 -33.1 -30.3 88.0 32.2 135 805 A L H < S+ 0 0 0 -4,-2.6 3,-0.2 2,-0.2 6,-0.2 0.926 110.2 50.0 -62.2 -38.1 -32.9 85.2 32.6 136 806 A E H < S+ 0 0 67 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.905 110.6 48.7 -69.0 -37.1 -32.2 85.5 36.4 137 807 A K H < S+ 0 0 97 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.773 119.0 40.5 -66.6 -32.0 -32.7 89.2 36.3 138 808 A Y >< + 0 0 5 -4,-1.3 3,-2.4 -3,-0.2 -1,-0.2 -0.575 64.0 166.9-121.4 67.6 -36.0 88.7 34.3 139 809 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.777 79.0 58.2 -57.8 -23.1 -37.8 85.7 35.9 140 810 A A T 3 S+ 0 0 53 -3,-0.1 -37,-0.4 2,-0.0 2,-0.2 0.560 73.4 113.1 -81.4 -14.7 -41.0 86.7 33.9 141 811 A C < - 0 0 4 -3,-2.4 -39,-0.2 -6,-0.2 -42,-0.1 -0.497 67.8-140.7 -52.1 129.7 -39.2 86.4 30.5 142 812 A E + 0 0 125 -41,-3.0 -1,-0.1 -44,-0.2 -40,-0.1 0.308 48.2 141.2 -96.5 20.7 -41.1 83.4 29.1 143 813 A M - 0 0 7 -45,-0.1 2,-0.2 -42,-0.1 -45,-0.0 -0.266 44.4-135.3 -58.2 140.8 -38.3 81.6 27.4 144 814 A K > - 0 0 119 1,-0.1 4,-2.4 0, 0.0 3,-0.2 -0.553 17.5-113.2 -89.9 158.8 -38.5 77.8 27.8 145 815 A F H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.887 115.4 55.7 -58.4 -41.1 -35.8 75.4 28.6 146 816 A S H > S+ 0 0 55 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.818 111.0 43.7 -68.0 -29.6 -35.9 73.8 25.2 147 817 A E H > S+ 0 0 43 -3,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.907 111.2 55.3 -80.7 -40.4 -35.4 77.1 23.5 148 818 A F H >< S+ 0 0 1 -4,-2.4 3,-1.2 1,-0.2 4,-0.5 0.966 109.5 46.9 -51.0 -57.9 -32.6 78.1 26.0 149 819 A I H >< S+ 0 0 13 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.863 110.1 52.8 -56.9 -39.6 -30.5 75.0 25.3 150 820 A A H 3< S+ 0 0 85 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.696 104.8 55.5 -75.7 -20.4 -30.9 75.3 21.6 151 821 A L T << S+ 0 0 45 -3,-1.2 -1,-0.3 -4,-1.2 -2,-0.2 0.515 93.3 89.8 -86.2 -7.7 -29.6 78.9 21.5 152 822 A L S < S- 0 0 26 -3,-1.1 2,-0.1 -4,-0.5 -66,-0.1 -0.626 77.3-111.3 -93.4 154.8 -26.3 78.1 23.3 153 823 A P - 0 0 46 0, 0.0 -68,-2.3 0, 0.0 2,-0.1 -0.379 38.6 -93.7 -80.6 161.2 -23.0 77.1 21.8 154 824 A S B -G 84 0D 93 -70,-0.3 -70,-0.3 1,-0.1 -71,-0.1 -0.395 51.7 -92.0 -70.5 147.1 -21.5 73.7 22.1 155 825 A I - 0 0 26 -72,-2.0 -1,-0.1 -2,-0.1 -70,-0.0 -0.327 46.7-141.4 -68.8 135.7 -19.1 73.3 25.0 156 826 A R - 0 0 105 -3,-0.1 -1,-0.1 1,-0.1 -113,-0.0 -0.705 11.7-109.9-102.5 148.0 -15.4 74.0 24.0 157 827 A P - 0 0 44 0, 0.0 2,-0.4 0, 0.0 -113,-0.2 -0.320 25.8-144.9 -62.6 147.6 -12.2 72.4 24.9 158 828 A R E -B 43 0A 51 -115,-2.6 -115,-3.1 37,-0.0 2,-0.4 -0.970 14.9-135.6-112.0 145.8 -9.7 74.3 27.1 159 829 A Y E -B 42 0A 122 -2,-0.4 2,-0.4 -117,-0.2 -117,-0.2 -0.801 17.6-173.5-109.2 136.1 -6.0 73.9 26.6 160 830 A Y E -B 41 0A 37 -119,-1.9 -119,-2.8 -2,-0.4 2,-0.5 -0.983 29.6-117.3-126.5 136.8 -3.2 73.4 29.2 161 831 A S E -B 40 0A 10 -2,-0.4 15,-0.4 15,-0.2 -121,-0.2 -0.600 37.4-117.9 -74.5 118.5 0.6 73.4 28.6 162 832 A I - 0 0 1 -123,-2.4 -124,-0.4 -2,-0.5 81,-0.3 -0.355 24.9-162.2 -64.7 135.4 1.9 70.0 29.5 163 833 A S + 0 0 0 11,-2.2 2,-0.3 79,-0.1 12,-0.2 0.037 60.7 67.2-112.7 26.2 4.3 70.4 32.4 164 834 A S S S- 0 0 7 10,-0.4 79,-0.2 -128,-0.1 80,-0.1 -0.930 75.3-119.4-139.0 161.6 6.1 67.1 32.2 165 835 A S >> - 0 0 1 -2,-0.3 3,-1.6 77,-0.2 4,-0.9 -0.856 13.1-138.7-101.5 140.2 8.5 65.4 29.8 166 836 A P T 34 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.583 98.9 77.2 -72.7 -6.5 7.6 62.2 28.1 167 837 A R T 34 S+ 0 0 111 1,-0.2 3,-0.1 2,-0.1 -131,-0.0 0.510 94.6 50.0 -74.7 -12.1 11.2 61.1 28.7 168 838 A V T <4 S- 0 0 81 -3,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.853 141.2 -16.1 -86.6 -51.5 10.2 60.5 32.4 169 839 A D >< - 0 0 76 -4,-0.9 3,-1.3 3,-0.3 -1,-0.3 -0.886 59.9-154.4-156.6 112.5 7.1 58.4 31.5 170 840 A E T 3 S+ 0 0 94 -2,-0.3 -135,-0.3 1,-0.3 -3,-0.1 0.669 93.8 50.5 -65.8 -22.5 5.7 58.5 28.0 171 841 A K T 3 S+ 0 0 76 -137,-0.1 -142,-3.0 -5,-0.1 2,-0.3 0.059 100.8 67.8-109.6 25.7 2.2 57.5 29.1 172 842 A Q E < -E 28 0B 57 -3,-1.3 2,-0.4 -144,-0.2 -3,-0.3 -0.981 57.3-177.8-142.5 134.5 1.7 60.1 31.9 173 843 A A E -E 27 0B 2 -146,-2.2 -146,-2.6 -2,-0.3 2,-0.3 -0.951 10.8-149.5-130.3 147.1 1.4 63.8 31.5 174 844 A S E -E 26 0B 0 -2,-0.4 -11,-2.2 -148,-0.2 -10,-0.4 -0.811 7.3-164.1-115.8 159.7 1.0 66.6 34.0 175 845 A I E -E 25 0B 0 -150,-2.0 -150,-2.0 -2,-0.3 2,-0.5 -0.943 12.0-145.3-140.8 159.2 -0.8 69.9 33.8 176 846 A T E -E 24 0B 4 -15,-0.4 2,-0.6 -2,-0.3 -15,-0.2 -0.967 22.2-167.9-135.1 110.5 -0.6 73.0 35.9 177 847 A V E -E 23 0B 0 -154,-2.7 -154,-2.5 -2,-0.5 2,-0.5 -0.881 18.6-149.9-122.7 116.4 -3.9 74.9 36.3 178 848 A S E -E 22 0B 46 -2,-0.6 2,-0.8 -156,-0.2 -156,-0.2 -0.625 27.4-130.5 -79.2 126.5 -4.6 78.3 37.6 179 849 A V - 0 0 23 -158,-2.4 2,-0.4 -2,-0.5 -158,-0.4 -0.691 18.9-144.0 -84.8 112.7 -8.1 78.3 39.1 180 850 A V + 0 0 68 -2,-0.8 13,-1.7 13,-0.1 2,-0.3 -0.648 39.6 134.9 -82.7 126.2 -10.0 81.2 37.8 181 851 A S E +I 192 0F 84 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.926 8.3 120.4-164.9 153.1 -12.4 82.9 40.3 182 852 A G E S-I 191 0F 32 9,-1.5 9,-3.0 -2,-0.3 2,-0.4 -0.930 70.0 -46.2 173.5-177.2 -13.3 86.4 41.4 183 853 A E E S-I 190 0F 158 -2,-0.3 7,-0.3 7,-0.3 2,-0.1 -0.700 73.6-100.6 -73.2 134.6 -16.4 88.6 41.6 184 854 A A > - 0 0 10 5,-2.9 3,-1.5 -2,-0.4 5,-0.1 -0.314 18.6-138.2 -61.8 129.6 -18.2 88.4 38.3 185 855 A W T 3 S+ 0 0 176 1,-0.2 -1,-0.2 2,-0.1 -57,-0.1 0.791 104.8 63.0 -58.2 -26.6 -17.5 91.3 36.0 186 856 A S T 3 S- 0 0 12 -58,-0.3 -1,-0.2 2,-0.1 -58,-0.1 0.762 114.8-118.1 -68.6 -22.7 -21.2 91.3 35.1 187 857 A G S < S+ 0 0 63 -3,-1.5 2,-1.3 2,-0.2 -2,-0.1 0.386 77.3 124.3 100.0 0.6 -22.0 92.0 38.8 188 858 A Y S S- 0 0 72 1,-0.1 -2,-0.1 -5,-0.0 -1,-0.1 -0.637 78.4 -83.5 -97.9 79.2 -23.9 88.8 39.4 189 859 A G S S- 0 0 46 -2,-1.3 -5,-2.9 -5,-0.1 2,-0.4 -0.255 85.0 -8.4 71.0-146.8 -22.2 87.3 42.3 190 860 A E E -I 183 0F 132 -7,-0.3 2,-0.3 -3,-0.1 -7,-0.3 -0.755 60.0-142.0 -98.2 137.2 -19.0 85.2 42.1 191 861 A Y E -I 182 0F 52 -9,-3.0 -9,-1.5 -2,-0.4 2,-0.4 -0.753 13.6-173.8 -98.1 132.4 -17.4 83.9 38.9 192 862 A K E -I 181 0F 67 -2,-0.3 -11,-0.2 -11,-0.2 -144,-0.1 -0.978 27.6-126.3-123.4 123.7 -15.8 80.5 38.4 193 863 A G > - 0 0 9 -13,-1.7 4,-1.5 -2,-0.4 5,-0.3 -0.373 26.1-132.0 -60.3 136.6 -13.9 79.7 35.1 194 864 A I H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -148,-0.2 0.964 94.6 34.3 -66.4 -54.8 -15.5 76.4 33.9 195 865 A A H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.923 116.9 53.5 -70.4 -37.5 -12.6 74.2 33.0 196 866 A S H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 113.7 42.0 -69.6 -38.2 -10.2 75.4 35.8 197 867 A N H X S+ 0 0 13 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.881 113.0 54.5 -73.8 -33.0 -12.8 74.7 38.5 198 868 A Y H >X S+ 0 0 24 -4,-1.9 4,-1.1 -5,-0.3 3,-1.0 0.988 113.1 41.6 -58.3 -54.2 -13.7 71.5 36.9 199 869 A L H >< S+ 0 0 0 -4,-3.1 3,-0.6 1,-0.3 -2,-0.2 0.880 110.2 58.9 -60.9 -38.6 -10.1 70.3 37.0 200 870 A A H 3< S+ 0 0 20 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.785 106.7 48.2 -60.0 -28.3 -9.7 71.8 40.5 201 871 A E H << S+ 0 0 99 -4,-1.5 -1,-0.2 -3,-1.0 -2,-0.2 0.625 88.3 105.3 -91.9 -13.8 -12.5 69.4 41.7 202 872 A L << - 0 0 13 -4,-1.1 2,-0.3 -3,-0.6 6,-0.0 -0.332 51.0-170.1 -67.2 149.1 -11.1 66.3 40.1 203 873 A Q > - 0 0 138 4,-0.1 3,-2.4 1,-0.1 -196,-0.3 -0.865 38.2 -64.4-129.5 168.0 -9.5 63.7 42.4 204 874 A E T 3 S+ 0 0 151 -2,-0.3 -196,-0.2 1,-0.3 3,-0.1 -0.269 123.1 27.6 -51.0 133.8 -7.4 60.6 42.0 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19.0-114.7 -86.9 164.4 63.8 76.9 53.8 473 762 B R H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.859 119.7 54.2 -61.8 -41.7 65.0 78.7 50.8 474 763 B T H > S+ 0 0 84 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.885 111.3 46.7 -60.0 -40.1 61.5 78.3 49.3 475 764 B Q H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.900 110.2 51.7 -69.8 -45.0 60.1 80.0 52.4 476 765 B L H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.892 111.0 47.5 -60.8 -43.0 62.7 82.7 52.4 477 766 B R H X S+ 0 0 129 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.858 110.0 53.4 -64.9 -35.8 61.9 83.6 48.8 478 767 B A H < S+ 0 0 16 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.901 111.2 47.1 -65.6 -37.3 58.1 83.6 49.5 479 768 B M H >< S+ 0 0 1 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.873 110.0 52.4 -70.3 -42.5 58.8 86.0 52.3 480 769 B A H >< S+ 0 0 2 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.853 104.9 54.5 -58.4 -42.4 60.9 88.2 50.2 481 770 B A T 3< S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.621 111.6 46.8 -70.9 -9.9 58.3 88.5 47.4 482 771 B K T < S+ 0 0 71 -3,-0.8 41,-2.8 -4,-0.4 2,-0.5 0.202 87.5 109.6-110.2 12.2 55.8 89.7 50.1 483 772 B T < + 0 0 15 -3,-1.2 39,-0.1 39,-0.2 6,-0.0 -0.802 39.1 178.4 -97.4 130.2 58.1 92.2 51.6 484 773 B V + 0 0 98 -2,-0.5 -1,-0.1 37,-0.2 38,-0.1 0.437 63.9 83.1-112.8 -2.2 57.3 95.9 51.0 485 774 B C S >> S- 0 0 29 1,-0.1 3,-1.7 2,-0.0 4,-1.7 -0.906 74.4-149.2 -97.2 101.0 60.1 97.4 53.1 486 775 B P H 3> S+ 0 0 99 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.807 91.3 50.0 -45.5 -46.9 63.1 97.3 50.6 487 776 B P H 3> S+ 0 0 78 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.790 108.8 53.8 -64.6 -25.7 65.9 96.9 53.1 488 777 B H H <> S+ 0 0 70 -3,-1.7 4,-1.9 1,-0.2 5,-0.2 0.828 105.1 53.8 -77.4 -31.8 64.1 94.0 54.7 489 778 B K H X S+ 0 0 76 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.891 107.3 49.5 -69.1 -38.1 63.8 92.3 51.5 490 779 B V H X S+ 0 0 91 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.915 109.4 54.7 -65.4 -39.3 67.6 92.5 50.8 491 780 B E H X S+ 0 0 85 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.909 110.4 44.7 -57.6 -41.0 68.1 91.1 54.4 492 781 B L H >< S+ 0 0 0 -4,-1.9 3,-0.6 1,-0.2 4,-0.3 0.879 112.0 51.4 -70.7 -45.3 66.0 88.1 53.6 493 782 B E H >< S+ 0 0 86 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.835 100.7 63.6 -63.7 -26.0 67.6 87.6 50.2 494 783 B A H >< S+ 0 0 54 -4,-2.4 3,-1.5 1,-0.3 6,-0.2 0.863 93.8 62.8 -66.7 -28.6 71.0 87.7 51.9 495 784 B L T << S+ 0 0 12 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.620 90.1 69.5 -70.0 -14.7 70.0 84.5 53.9 496 785 B L T < S+ 0 0 35 -3,-1.5 -1,-0.3 -4,-0.3 2,-0.2 0.625 75.0 100.8 -78.1 -17.6 69.7 82.6 50.5 497 786 B E S <> S- 0 0 138 -3,-1.5 4,-3.5 -4,-0.3 5,-0.3 -0.483 85.2-114.4 -71.6 140.9 73.5 82.7 49.9 498 787 B K H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.833 110.5 39.7 -39.0 -54.5 75.2 79.3 50.8 499 788 B Q H > S+ 0 0 134 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.894 116.8 47.1 -73.8 -48.1 77.3 80.6 53.7 500 789 B A H >>S+ 0 0 17 -6,-0.2 4,-3.0 2,-0.2 5,-1.0 0.916 112.3 52.1 -57.3 -42.7 74.8 82.9 55.3 501 790 B Y H X>S+ 0 0 19 -4,-3.5 5,-2.9 -7,-0.2 4,-1.3 0.962 113.3 44.6 -61.4 -46.9 72.2 80.1 55.0 502 791 B K H <>S+ 0 0 150 -4,-2.2 5,-2.0 -5,-0.3 -2,-0.2 0.903 123.7 32.8 -59.8 -45.0 74.6 77.6 56.7 503 792 B E H <5S+ 0 0 105 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.825 130.0 30.8 -88.2 -31.6 75.7 79.9 59.5 504 793 B Q H <5S+ 0 0 89 -4,-3.0 6,-0.3 -5,-0.3 -3,-0.2 0.798 132.3 24.4 -99.2 -36.2 72.6 82.1 60.1 505 794 B V T XXS+ 0 0 0 -4,-1.3 5,-1.6 -5,-1.0 4,-1.0 0.909 128.6 33.4 -92.0 -60.3 69.8 79.7 59.3 506 795 B L T >4 -U 470 0L 4 -2,-0.4 4,-1.9 -41,-0.3 5,-0.2 -0.537 25.2-117.0 -98.8 163.1 62.6 79.4 61.6 512 801 B M H > S+ 0 0 3 -43,-0.6 4,-2.1 2,-0.2 5,-0.2 0.941 116.2 54.0 -57.1 -46.5 60.0 81.0 59.3 513 802 B L H > S+ 0 0 3 -46,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.924 107.4 50.7 -57.7 -45.1 57.8 81.9 62.3 514 803 B E H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 110.5 48.3 -64.8 -38.4 60.7 83.7 63.9 515 804 B L H X S+ 0 0 3 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.840 107.9 54.4 -70.6 -34.5 61.4 85.7 60.8 516 805 B L H < S+ 0 0 0 -4,-2.1 6,-0.2 2,-0.2 -1,-0.2 0.867 108.4 50.7 -62.9 -34.9 57.7 86.7 60.4 517 806 B E H < S+ 0 0 64 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.892 110.5 48.8 -67.8 -37.0 58.0 87.9 64.0 518 807 B K H < S+ 0 0 106 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.810 120.7 37.5 -64.7 -35.9 61.1 89.9 62.9 519 808 B Y >< + 0 0 11 -4,-1.7 3,-1.9 1,-0.1 -1,-0.3 -0.673 64.4 166.9-121.8 74.0 59.2 91.3 59.9 520 809 B P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.775 77.7 60.0 -62.7 -19.5 55.6 92.0 60.9 521 810 B A T 3 S+ 0 0 62 -3,-0.1 -37,-0.2 2,-0.1 2,-0.2 0.587 72.5 115.1 -89.3 -6.4 55.0 94.0 57.7 522 811 B C < - 0 0 6 -3,-1.9 -39,-0.2 -6,-0.2 -42,-0.1 -0.506 66.4-140.1 -57.8 131.7 55.9 91.0 55.5 523 812 B E + 0 0 121 -41,-2.8 -1,-0.1 -2,-0.2 2,-0.1 0.089 51.0 136.6 -94.9 22.4 52.5 90.4 53.7 524 813 B M - 0 0 6 -45,-0.1 2,-0.2 -42,-0.1 -45,-0.0 -0.444 46.2-136.3 -65.0 141.4 52.4 86.7 53.7 525 814 B K > - 0 0 123 -2,-0.1 4,-2.8 1,-0.1 3,-0.3 -0.612 18.9-109.7 -97.3 162.1 49.0 85.2 54.7 526 815 B F H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 117.1 54.1 -52.1 -51.6 48.1 82.4 56.9 527 816 B S H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.851 112.0 46.1 -59.1 -36.0 47.0 80.1 54.1 528 817 B E H > S+ 0 0 44 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.941 109.7 53.9 -67.6 -48.7 50.4 80.6 52.4 529 818 B F H >< S+ 0 0 2 -4,-2.8 3,-0.7 1,-0.2 4,-0.3 0.947 111.7 44.9 -49.7 -53.2 52.3 80.1 55.7 530 819 B I H >< S+ 0 0 18 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.903 111.2 53.0 -59.6 -45.0 50.5 76.7 56.2 531 820 B A H 3< S+ 0 0 82 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.781 106.8 52.9 -67.1 -27.6 51.0 75.6 52.6 532 821 B L T << S+ 0 0 41 -4,-1.7 -1,-0.3 -3,-0.7 -2,-0.2 0.414 95.8 86.8 -80.3 -8.8 54.8 76.3 52.8 533 822 B L S < S- 0 0 24 -3,-1.7 -66,-0.1 -4,-0.3 3,-0.1 -0.769 79.4-113.6-100.1 147.8 55.3 74.1 56.0 534 823 B P - 0 0 47 0, 0.0 -68,-2.3 0, 0.0 2,-0.1 -0.361 38.6 -95.0 -71.2 160.1 55.9 70.4 56.2 535 824 B S B -T 465 0K 98 -70,-0.2 -70,-0.3 1,-0.1 -71,-0.1 -0.372 53.0 -92.4 -66.2 147.1 53.5 68.0 57.7 536 825 B I - 0 0 28 -72,-2.3 -1,-0.1 -2,-0.1 -70,-0.0 -0.337 46.8-141.1 -71.5 140.4 54.2 67.3 61.3 537 826 B R - 0 0 100 -3,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.705 11.2-111.5-103.0 153.6 56.4 64.2 61.8 538 827 B P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 -111,-0.2 -0.418 26.2-139.8 -73.4 154.2 56.3 61.4 64.2 539 828 B R E -O 426 0H 57 -113,-2.4 -113,-3.1 -2,-0.1 2,-0.3 -0.960 14.8-134.3-112.0 147.5 59.1 61.2 66.8 540 829 B Y E -O 425 0H 108 -2,-0.4 2,-0.4 -115,-0.2 -115,-0.2 -0.710 17.9-172.1-104.2 137.5 60.6 57.8 67.7 541 830 B Y E -O 424 0H 34 -117,-2.0 -117,-2.6 -2,-0.3 2,-0.3 -0.995 29.0-116.8-131.0 136.1 61.3 56.6 71.2 542 831 B S E -O 423 0H 8 -2,-0.4 15,-0.4 -119,-0.2 -119,-0.2 -0.574 35.2-117.4 -77.4 122.1 63.2 53.4 72.2 543 832 B I - 0 0 2 -121,-2.7 -122,-0.4 -2,-0.3 81,-0.3 -0.460 26.3-163.5 -66.9 128.7 60.8 51.1 74.1 544 833 B S + 0 0 0 11,-2.6 2,-0.3 -2,-0.1 12,-0.1 -0.018 60.8 65.6-110.2 25.4 62.3 50.7 77.6 545 834 B S S S- 0 0 7 10,-0.4 79,-0.2 81,-0.0 80,-0.1 -0.929 77.5-116.7-137.8 164.9 60.4 47.7 78.8 546 835 B S >> - 0 0 0 -2,-0.3 3,-1.6 77,-0.2 4,-1.1 -0.856 11.8-138.5-104.8 135.9 60.2 44.0 77.8 547 836 B P T 34 S+ 0 0 15 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.576 99.1 76.5 -64.3 -8.9 57.0 42.5 76.5 548 837 B R T 34 S+ 0 0 102 2,-0.2 3,-0.1 1,-0.1 -129,-0.0 0.696 98.1 45.1 -74.2 -18.4 57.8 39.4 78.7 549 838 B V T <4 S- 0 0 81 -3,-1.6 2,-0.3 1,-0.2 -1,-0.1 0.927 140.6 -8.8 -83.8 -57.7 56.7 41.4 81.8 550 839 B D >< - 0 0 77 -4,-1.1 3,-1.5 3,-0.3 -1,-0.2 -0.867 57.9-162.2-144.9 111.4 53.5 42.8 80.3 551 840 B E T 3 S+ 0 0 68 -2,-0.3 -133,-0.3 1,-0.3 -1,-0.1 0.653 91.2 51.3 -69.8 -12.3 52.8 42.3 76.6 552 841 B K T 3 S+ 0 0 71 -135,-0.1 -140,-2.8 -5,-0.1 2,-0.4 0.206 100.6 62.6-116.1 11.5 50.2 45.1 76.6 553 842 B Q E < -R 411 0I 50 -3,-1.5 2,-0.3 -142,-0.2 -3,-0.3 -0.993 59.3-174.3-134.8 133.5 52.1 48.0 78.3 554 843 B A E -R 410 0I 0 -144,-2.3 -144,-2.7 -2,-0.4 2,-0.3 -0.905 9.8-150.0-119.7 148.0 55.2 49.6 76.8 555 844 B S E -R 409 0I 0 -2,-0.3 -11,-2.6 -146,-0.2 -10,-0.4 -0.883 6.9-164.3-115.6 157.4 57.4 52.3 78.4 556 845 B I E -R 408 0I 0 -148,-2.0 -148,-2.0 -2,-0.3 2,-0.5 -0.914 13.3-143.3-132.5 164.4 59.5 55.0 77.0 557 846 B T E -R 407 0I 10 -15,-0.4 2,-0.6 -2,-0.3 -15,-0.2 -0.969 23.3-167.4-133.8 108.5 62.2 57.2 78.4 558 847 B V E -R 406 0I 0 -152,-3.0 -152,-3.2 -2,-0.5 2,-0.4 -0.893 16.9-150.5-122.7 113.8 62.2 60.8 77.2 559 848 B S E -R 405 0I 50 -2,-0.6 2,-0.6 -154,-0.3 -154,-0.2 -0.621 27.7-129.8 -73.6 128.5 64.8 63.4 77.5 560 849 B V - 0 0 22 -156,-2.5 2,-0.6 -2,-0.4 -156,-0.4 -0.708 13.9-144.2 -92.2 120.5 63.0 66.8 77.6 561 850 B V + 0 0 73 -2,-0.6 13,-2.3 13,-0.1 2,-0.3 -0.695 40.2 142.9 -88.3 117.5 64.5 69.3 75.1 562 851 B S E +V 573 0M 90 -2,-0.6 2,-0.3 11,-0.2 11,-0.2 -0.958 12.3 103.1-157.2 134.3 64.5 72.8 76.7 563 852 B G E S-V 572 0M 28 9,-2.1 9,-3.8 -2,-0.3 2,-0.5 -0.967 71.0 -42.2 177.0-164.6 66.8 75.7 76.6 564 853 B E E -V 571 0M 155 -2,-0.3 7,-0.3 7,-0.3 6,-0.1 -0.759 69.4-106.0 -87.2 126.0 67.5 79.1 75.1 565 854 B A > - 0 0 7 5,-2.4 3,-1.1 -2,-0.5 5,-0.1 -0.282 17.3-137.5 -57.2 138.7 66.7 79.1 71.4 566 855 B W T 3 S+ 0 0 182 1,-0.3 -1,-0.2 2,-0.1 -57,-0.1 0.723 102.6 64.7 -69.6 -23.6 69.8 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