==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-DEC-10 3Q14 . COMPND 2 MOLECULE: PENTAETHYLENE GLYCOL; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.F.ACHESON,L.J.BAILEY,B.G.FOX . 981 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 720 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 4 0.4 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 . 32 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 432 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 4.3 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 7 2 2 5 5 4 4 1 0 3 0 0 0 1 1 0 0 2 0 0 1 0 1 1 2 0 2 RESIDUES PER ALPHA HELIX . 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 5 1 1 3 3 0 1 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 . 2 1 1 1 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 2 A A 0 0 45 0, 0.0 2,-0.4 0, 0.0 592,-0.2 0.000 360.0 360.0 360.0 160.3 -38.7 10.4 10.2 2 3 A M - 0 0 73 591,-0.1 584,-0.0 0, 0.0 588,-0.0 -0.926 360.0-124.9-118.4 143.8 -36.7 7.8 12.1 3 4 A H - 0 0 31 -2,-0.4 5,-0.1 1,-0.1 660,-0.1 -0.739 32.2-106.6 -93.2 137.8 -36.7 7.4 15.8 4 5 A P >> - 0 0 33 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.250 25.3-117.6 -64.8 148.9 -33.3 7.5 17.6 5 6 A R H >> S+ 0 0 38 1,-0.3 4,-2.4 2,-0.2 3,-1.3 0.840 110.3 66.3 -55.9 -37.0 -32.0 4.3 19.0 6 7 A K H 34 S+ 0 0 140 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.802 97.8 55.8 -59.2 -27.1 -32.1 5.5 22.6 7 8 A D H <4 S+ 0 0 72 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.721 123.2 20.6 -78.2 -24.0 -35.9 5.7 22.4 8 9 A W H XX S+ 0 0 14 -3,-1.3 3,-0.9 -4,-0.6 4,-0.8 0.458 94.2 97.1-122.8 -4.7 -36.4 2.0 21.4 9 10 A Y H >X S+ 0 0 9 -4,-2.4 3,-1.0 1,-0.3 4,-0.8 0.859 77.9 61.7 -57.9 -38.4 -33.2 0.2 22.5 10 11 A E H >4 S+ 0 0 114 -4,-0.4 3,-0.9 1,-0.3 -1,-0.3 0.872 98.4 57.2 -60.2 -34.4 -34.6 -1.0 25.8 11 12 A L H X4 S+ 0 0 20 -3,-0.9 3,-0.8 1,-0.2 -1,-0.3 0.800 96.8 62.9 -67.1 -26.8 -37.3 -3.0 24.0 12 13 A T H << S+ 0 0 5 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.772 112.8 35.5 -69.0 -23.5 -34.6 -4.9 22.0 13 14 A R T << S+ 0 0 26 -3,-0.9 2,-1.5 -4,-0.8 3,-0.3 0.222 85.3 104.1-114.9 14.7 -33.3 -6.3 25.3 14 15 A A < + 0 0 31 -3,-0.8 -1,-0.1 -4,-0.2 -3,-0.1 -0.598 48.7 114.7 -87.5 72.0 -36.6 -6.7 27.1 15 16 A T + 0 0 0 -2,-1.5 2,-0.3 606,-0.1 -1,-0.2 0.336 33.2 108.8-130.2 2.3 -36.5 -10.4 26.5 16 17 A N + 0 0 5 -3,-0.3 2,-0.3 25,-0.0 102,-0.0 -0.622 41.4 170.4 -78.0 144.8 -36.2 -12.1 30.0 17 18 A W - 0 0 5 -2,-0.3 662,-0.0 664,-0.0 23,-0.0 -0.957 40.0 -99.4-147.5 166.0 -39.3 -13.9 31.2 18 19 A T - 0 0 74 -2,-0.3 5,-0.0 660,-0.1 -2,-0.0 -0.797 41.1-130.0 -92.8 112.2 -40.3 -16.2 34.0 19 20 A P + 0 0 17 0, 0.0 5,-0.2 0, 0.0 673,-0.0 -0.304 34.0 166.9 -64.7 142.6 -40.3 -19.8 32.8 20 21 A S S S+ 0 0 76 3,-0.1 3,-0.1 671,-0.1 672,-0.1 0.567 72.0 48.7-125.2 -26.2 -43.4 -21.9 33.6 21 22 A Y S S+ 0 0 77 1,-0.1 2,-0.3 670,-0.1 671,-0.1 0.679 124.6 20.3-100.1 -21.6 -43.2 -25.0 31.5 22 23 A V S S- 0 0 14 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.894 96.3 -97.0-130.8 166.9 -39.7 -25.8 32.4 23 24 A T > - 0 0 73 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.431 28.2-114.5 -81.8 160.2 -37.7 -24.6 35.5 24 25 A E H > S+ 0 0 65 1,-0.2 4,-2.4 -5,-0.2 -1,-0.1 0.902 119.9 50.9 -56.8 -40.3 -35.4 -21.6 35.4 25 26 A E H 4 S+ 0 0 90 2,-0.2 -1,-0.2 1,-0.2 5,-0.1 0.817 107.9 51.6 -70.1 -31.4 -32.5 -24.0 36.1 26 27 A Q H 4 S+ 0 0 104 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.883 114.0 44.4 -67.4 -39.1 -33.5 -26.4 33.3 27 28 A L H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.862 129.0 26.8 -74.2 -36.7 -33.6 -23.4 30.9 28 29 A F S < S- 0 0 4 -4,-2.4 -1,-0.3 -5,-0.2 7,-0.2 -0.608 83.8-164.3-126.7 70.8 -30.3 -22.0 32.2 29 30 A P >> - 0 0 18 0, 0.0 4,-2.9 0, 0.0 3,-1.8 -0.313 23.6-128.0 -61.8 135.6 -28.3 -25.0 33.5 30 31 A E H 3> S+ 0 0 65 1,-0.3 4,-1.9 2,-0.2 6,-0.1 0.860 105.9 60.7 -54.7 -37.7 -25.4 -23.9 35.8 31 32 A R H 34 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.2 511,-0.0 0.766 120.1 26.5 -64.2 -22.9 -22.9 -26.0 33.9 32 33 A M H <4 S+ 0 0 0 -3,-1.8 152,-2.4 151,-0.1 -1,-0.2 0.684 130.9 38.0-106.9 -27.2 -23.6 -24.0 30.7 33 34 A S H < S- 0 0 0 -4,-2.9 152,-1.4 150,-0.3 -3,-0.2 0.832 77.3-157.1 -98.2 -40.4 -24.8 -20.7 32.1 34 35 A G < + 0 0 0 -4,-1.9 -4,-0.1 -5,-0.4 -3,-0.1 0.785 34.6 151.9 67.7 30.2 -22.5 -20.1 35.1 35 36 A H > - 0 0 7 -7,-0.2 3,-2.2 1,-0.1 -1,-0.1 0.511 48.9-137.0 -73.7 -5.5 -25.0 -17.8 36.8 36 37 A M T 3 - 0 0 32 1,-0.3 -1,-0.1 -6,-0.1 -6,-0.0 0.784 64.7 -60.3 53.0 32.4 -23.7 -18.8 40.3 37 38 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.479 94.9 146.3 80.3 1.6 -27.2 -19.0 41.7 38 39 A I < - 0 0 6 -3,-2.2 -1,-0.3 1,-0.1 5,-0.1 -0.622 51.1-118.3 -75.4 123.8 -28.0 -15.3 40.9 39 40 A P >> - 0 0 70 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.194 19.0-107.7 -70.0 155.7 -31.7 -15.1 40.0 40 41 A L H >> S+ 0 0 10 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.815 114.3 61.8 -46.5 -44.4 -33.0 -14.0 36.6 41 42 A E H >4 S+ 0 0 123 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.829 99.2 54.8 -57.0 -35.9 -34.2 -10.7 37.9 42 43 A K H X4 S+ 0 0 105 -3,-1.5 3,-1.2 1,-0.2 -1,-0.3 0.793 99.2 62.5 -71.1 -26.7 -30.7 -9.5 39.0 43 44 A W H X< S+ 0 0 1 -3,-0.9 3,-1.4 -4,-0.8 -1,-0.2 0.656 84.1 75.9 -74.6 -14.4 -29.4 -10.1 35.5 44 45 A E T << S+ 0 0 65 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.654 82.1 69.6 -73.4 -12.9 -31.7 -7.5 34.0 45 46 A S T < S+ 0 0 88 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.629 71.2 119.0 -71.5 -17.7 -29.4 -4.8 35.5 46 47 A Y < - 0 0 6 -3,-1.4 2,-0.4 -4,-0.1 75,-0.3 -0.315 44.1-174.7 -55.0 126.0 -26.7 -5.8 32.9 47 48 A D - 0 0 80 74,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 -0.832 17.3-146.4-134.8 96.8 -26.0 -2.8 30.8 48 49 A E - 0 0 2 -2,-0.4 3,-0.2 1,-0.1 188,-0.1 -0.395 6.4-157.0 -60.4 122.8 -23.6 -3.1 27.8 49 50 A P S S+ 0 0 33 0, 0.0 2,-0.7 0, 0.0 922,-0.6 0.710 82.8 55.5 -79.3 -18.4 -21.7 0.1 27.4 50 51 A Y S S+ 0 0 19 182,-0.2 2,-0.1 185,-0.2 185,-0.1 -0.818 80.4 178.9-118.6 87.9 -20.9 -0.3 23.7 51 52 A K + 0 0 41 -2,-0.7 2,-0.3 920,-0.2 74,-0.0 -0.430 13.7 169.6 -88.9 158.9 -24.2 -0.9 22.0 52 53 A T - 0 0 3 -2,-0.1 2,-0.3 -47,-0.0 76,-0.1 -0.936 20.4-139.1-151.3 173.8 -25.2 -1.4 18.4 53 54 A S > - 0 0 6 -2,-0.3 4,-2.7 1,-0.1 3,-0.2 -0.911 32.4-101.6-132.6 161.0 -28.4 -2.4 16.6 54 55 A Y H > S+ 0 0 2 -2,-0.3 4,-2.3 1,-0.2 5,-0.3 0.901 117.6 47.2 -55.2 -49.5 -28.9 -4.8 13.7 55 56 A P H > S+ 0 0 18 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.908 115.3 46.5 -63.5 -35.7 -29.4 -2.2 10.9 56 57 A E H > S+ 0 0 57 -3,-0.2 4,-2.7 2,-0.2 5,-0.3 0.912 110.9 54.6 -67.0 -40.3 -26.3 -0.2 12.1 57 58 A Y H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.941 108.7 44.2 -59.3 -52.1 -24.3 -3.4 12.4 58 59 A V H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.887 116.4 48.0 -66.1 -34.6 -24.8 -4.7 8.9 59 60 A S H X S+ 0 0 51 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.928 115.9 42.5 -68.7 -46.6 -24.2 -1.2 7.4 60 61 A I H X S+ 0 0 12 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.904 114.7 49.3 -68.2 -43.2 -21.0 -0.6 9.4 61 62 A Q H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.3 5,-0.2 0.829 105.8 58.3 -70.1 -30.1 -19.6 -4.1 8.9 62 63 A R H X S+ 0 0 112 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.945 109.0 45.6 -60.2 -45.8 -20.2 -3.8 5.2 63 64 A E H X S+ 0 0 94 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.912 109.5 54.2 -65.2 -41.2 -18.0 -0.8 5.2 64 65 A K H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.933 111.8 44.4 -58.6 -46.3 -15.3 -2.3 7.3 65 66 A D H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.900 106.5 58.8 -68.5 -39.3 -15.0 -5.3 5.0 66 67 A A H X S+ 0 0 53 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.924 110.0 45.9 -55.5 -43.7 -15.0 -3.2 1.8 67 68 A G H X S+ 0 0 29 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.938 111.8 49.5 -62.4 -49.2 -12.0 -1.4 3.1 68 69 A A H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.924 117.0 40.3 -59.4 -47.7 -10.1 -4.5 4.2 69 70 A Y H X S+ 0 0 36 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.856 112.3 55.4 -71.3 -35.7 -10.6 -6.3 0.9 70 71 A S H X S+ 0 0 77 -4,-2.1 4,-2.3 -5,-0.4 -1,-0.2 0.894 109.2 47.3 -64.4 -42.3 -10.0 -3.2 -1.3 71 72 A V H X S+ 0 0 44 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.946 111.7 50.4 -64.3 -46.4 -6.6 -2.6 0.3 72 73 A K H >< S+ 0 0 17 -4,-1.9 3,-0.6 -5,-0.2 4,-0.4 0.937 112.6 47.3 -55.5 -48.3 -5.6 -6.3 -0.1 73 74 A A H >< S+ 0 0 63 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.907 110.3 51.9 -60.9 -42.1 -6.6 -6.2 -3.7 74 75 A A H 3< S+ 0 0 82 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.729 114.0 43.2 -71.5 -18.8 -4.7 -2.9 -4.4 75 76 A L T X< S+ 0 0 60 -4,-1.4 3,-2.2 -3,-0.6 5,-0.3 0.289 73.7 111.2-111.3 9.9 -1.5 -4.2 -2.9 76 77 A E T < S+ 0 0 65 -3,-1.0 3,-0.4 -4,-0.4 -1,-0.2 0.798 85.0 45.3 -52.7 -30.7 -1.3 -7.7 -4.3 77 78 A R T 3 S+ 0 0 210 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.203 77.5 106.1-103.5 15.3 1.7 -6.7 -6.4 78 79 A A S < S- 0 0 52 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.1 0.457 86.3-124.7 -75.9 0.1 3.6 -4.8 -3.7 79 80 A K > + 0 0 96 -3,-0.4 4,-3.6 -4,-0.1 5,-0.4 0.760 59.1 148.4 66.5 26.2 6.1 -7.7 -3.6 80 81 A I H > S+ 0 0 23 -5,-0.3 4,-2.2 1,-0.2 9,-0.1 0.952 73.9 42.8 -55.8 -51.7 5.6 -8.3 0.2 81 82 A Y H 4 S+ 0 0 54 1,-0.2 -1,-0.2 2,-0.2 8,-0.1 0.927 122.2 39.6 -61.9 -44.6 6.2 -12.0 -0.0 82 83 A E H 4 S+ 0 0 89 1,-0.2 -2,-0.2 4,-0.0 -1,-0.2 0.896 126.8 31.5 -72.2 -43.4 9.2 -11.7 -2.4 83 84 A N H < S+ 0 0 126 -4,-3.6 -3,-0.2 2,-0.1 -2,-0.2 0.546 93.5 103.5 -98.5 -10.1 10.8 -8.6 -0.9 84 85 A S S < S- 0 0 23 -4,-2.2 131,-0.0 -5,-0.4 130,-0.0 -0.391 83.3 -97.1 -73.0 151.5 10.0 -8.9 2.8 85 86 A D >> - 0 0 56 1,-0.1 4,-1.7 129,-0.1 3,-0.9 -0.421 35.1-122.4 -56.5 138.7 12.6 -10.0 5.3 86 87 A P H 3> S+ 0 0 47 0, 0.0 4,-2.3 0, 0.0 258,-0.2 0.786 112.0 63.1 -60.4 -25.8 12.0 -13.8 5.9 87 88 A G H 3> S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 259,-0.1 0.864 102.6 49.5 -64.5 -37.2 11.5 -13.0 9.6 88 89 A W H <> S+ 0 0 2 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.911 108.2 52.4 -67.7 -42.9 8.5 -10.9 8.6 89 90 A I H X S+ 0 0 12 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.913 108.3 51.3 -58.4 -40.7 7.1 -13.7 6.5 90 91 A S H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.857 104.2 58.0 -63.9 -34.6 7.4 -16.1 9.4 91 92 A T H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.924 107.8 46.8 -60.4 -44.4 5.5 -13.6 11.5 92 93 A L H X S+ 0 0 5 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.930 112.8 48.9 -60.5 -48.1 2.6 -13.8 9.1 93 94 A K H X S+ 0 0 6 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.902 113.4 47.0 -59.2 -43.9 2.7 -17.7 9.0 94 95 A S H X S+ 0 0 4 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.950 113.7 48.4 -62.4 -50.0 2.8 -17.8 12.8 95 96 A H H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 5,-0.4 0.955 113.6 42.9 -58.4 -57.0 -0.1 -15.3 13.1 96 97 A Y H X S+ 0 0 9 -4,-2.8 4,-2.0 1,-0.2 5,-0.4 0.911 116.8 48.4 -62.7 -39.7 -2.5 -16.9 10.7 97 98 A G H < S+ 0 0 0 -4,-1.9 4,-0.3 -5,-0.3 -1,-0.2 0.919 116.8 41.5 -62.6 -44.3 -1.8 -20.4 11.9 98 99 A A H < S+ 0 0 14 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.754 128.1 28.1 -75.4 -22.4 -2.2 -19.5 15.6 99 100 A I H X S+ 0 0 14 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.837 96.6 73.5-112.5 -44.2 -5.2 -17.3 15.1 100 101 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.4 40,-0.2 0.883 107.6 32.9 -52.2 -56.0 -7.5 -18.0 12.1 101 102 A V H > S+ 0 0 1 56,-0.4 4,-1.9 -5,-0.4 -1,-0.3 0.765 114.7 60.8 -78.3 -21.1 -9.3 -21.1 13.3 102 103 A G H > S+ 0 0 5 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.861 101.3 54.2 -66.5 -38.5 -9.2 -19.9 16.9 103 104 A E H X S+ 0 0 21 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.921 107.4 50.4 -57.2 -44.8 -11.2 -16.9 15.8 104 105 A Y H >X S+ 0 0 3 -4,-1.3 3,-1.2 -5,-0.2 4,-0.6 0.911 106.8 54.4 -65.1 -37.3 -13.7 -19.3 14.4 105 106 A A H >X S+ 0 0 7 -4,-1.9 3,-1.3 1,-0.3 4,-1.0 0.863 97.6 64.9 -59.4 -35.3 -13.7 -21.2 17.7 106 107 A A H 3X S+ 0 0 4 -4,-1.8 4,-2.3 1,-0.3 -1,-0.3 0.732 86.2 71.4 -63.0 -20.1 -14.5 -17.9 19.5 107 108 A V H - 0 0 0 1,-0.2 4,-2.1 -6,-0.1 3,-0.3 -0.789 66.8-154.4 -91.7 117.8 -28.5 -11.2 30.9 120 121 A P H > S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.874 95.1 51.8 -59.1 -41.4 -30.7 -10.1 27.9 121 122 A G H > S+ 0 0 2 -75,-0.3 4,-2.4 1,-0.2 5,-0.2 0.864 109.0 52.1 -62.9 -35.9 -28.2 -7.4 26.8 122 123 A N H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.927 105.6 53.8 -65.4 -44.0 -25.4 -10.0 26.9 123 124 A R H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.894 112.9 44.2 -61.0 -37.8 -27.4 -12.4 24.7 124 125 A N H X S+ 0 0 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T << S+ 0 0 41 -4,-0.7 3,-0.4 -3,-0.6 -1,-0.3 0.744 99.5 57.3 -67.2 -18.5 -3.4 -16.7 -1.8 147 148 A Y T X> S+ 0 0 35 -3,-2.2 4,-2.0 -4,-0.2 3,-1.3 0.519 79.6 88.4 -90.3 -4.6 0.1 -17.6 -0.4 148 149 A C T <4 S+ 0 0 3 -3,-1.5 352,-0.4 -4,-0.4 -1,-0.2 0.917 85.8 55.2 -53.3 -44.7 -0.7 -21.4 -0.4 149 150 A K T 34 S+ 0 0 116 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.665 112.8 44.1 -67.0 -13.9 0.6 -21.5 -4.0 150 151 A K T <4 S+ 0 0 86 -3,-1.3 2,-0.3 1,-0.3 -1,-0.2 0.782 125.7 10.1 -94.4 -35.1 3.8 -19.9 -2.8 151 152 A D >< - 0 0 26 -4,-2.0 3,-1.9 349,-0.2 4,-0.3 -0.938 54.1-143.0-160.1 119.5 4.6 -21.9 0.3 152 153 A R G > S+ 0 0 10 -2,-0.3 3,-1.7 1,-0.3 4,-0.4 0.745 97.7 73.3 -60.7 -22.6 3.2 -25.0 2.0 153 154 A Q G > S+ 0 0 3 1,-0.3 3,-1.3 323,-0.2 -1,-0.3 0.800 86.5 64.1 -64.4 -23.5 3.7 -23.4 5.4 154 155 A F G X S+ 0 0 1 -3,-1.9 3,-1.8 -7,-0.3 4,-0.4 0.717 83.7 76.1 -72.6 -14.7 0.7 -21.1 4.7 155 156 A D G X> S+ 0 0 2 -3,-1.7 4,-2.6 -4,-0.3 3,-1.5 0.791 80.9 72.0 -60.8 -25.1 -1.5 -24.2 4.6 156 157 A W H <> S+ 0 0 0 -3,-1.3 4,-2.0 -4,-0.4 -1,-0.3 0.635 73.3 79.2 -72.1 -12.2 -1.2 -24.1 8.3 157 158 A A H <4 S+ 0 0 3 -3,-1.8 -56,-0.4 1,-0.2 -1,-0.3 0.886 115.9 21.0 -55.9 -35.6 -3.5 -21.1 8.5 158 159 A W H <4 S+ 0 0 18 -3,-1.5 3,-0.3 -4,-0.4 4,-0.3 0.828 128.7 49.6 -95.5 -42.3 -6.1 -23.8 8.0 159 160 A R H >< S+ 0 0 8 -4,-2.6 3,-1.8 1,-0.2 4,-0.3 0.773 85.6 82.9 -73.2 -28.4 -4.3 -26.9 9.2 160 161 A A G >< S+ 0 0 1 -4,-2.0 3,-2.1 1,-0.3 5,-0.3 0.863 92.7 45.1 -52.5 -51.4 -2.8 -25.9 12.5 161 162 A Y G 3 S+ 0 0 1 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.660 109.5 58.6 -69.6 -13.7 -5.9 -26.5 14.8 162 163 A H G < S+ 0 0 38 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.386 101.9 76.5 -88.9 4.0 -6.4 -29.8 13.0 163 164 A S S < S- 0 0 6 -3,-2.1 308,-0.1 -4,-0.3 307,-0.1 -0.593 76.0-133.9-111.7 170.7 -2.9 -30.9 14.1 164 165 A N + 0 0 49 305,-0.5 307,-0.2 -2,-0.2 306,-0.1 0.023 55.2 144.0-107.3 23.6 -1.1 -32.1 17.2 165 166 A E > - 0 0 0 305,-0.6 4,-2.2 -5,-0.3 3,-0.3 -0.365 62.8-114.2 -62.1 144.1 1.8 -29.7 16.5 166 167 A W H > S+ 0 0 25 174,-0.3 4,-1.9 1,-0.3 -1,-0.1 0.840 113.5 44.8 -58.4 -39.8 3.0 -28.5 19.9 167 168 A A H > S+ 0 0 15 173,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.850 111.1 53.6 -74.8 -35.1 2.1 -24.9 19.5 168 169 A A H > S+ 0 0 1 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.850 109.2 49.9 -64.1 -35.7 -1.4 -25.8 18.1 169 170 A I H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.904 109.7 50.5 -69.7 -39.6 -1.9 -27.9 21.2 170 171 A A H X S+ 0 0 1 -4,-1.9 4,-1.8 230,-0.2 -2,-0.2 0.930 113.5 46.4 -62.2 -42.9 -0.9 -25.0 23.4 171 172 A A H X S+ 0 0 6 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.943 115.2 44.9 -63.5 -48.8 -3.3 -22.8 21.5 172 173 A K H X S+ 0 0 10 -4,-2.8 4,-2.8 2,-0.2 363,-0.3 0.864 110.0 54.0 -66.2 -36.6 -6.2 -25.3 21.7 173 174 A H H X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.913 114.9 42.3 -65.5 -40.0 -5.6 -26.1 25.3 174 175 A F H X S+ 0 0 2 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.956 118.9 41.9 -67.4 -52.3 -5.9 -22.4 26.1 175 176 A F H X>S+ 0 0 12 -4,-3.0 4,-2.7 1,-0.2 5,-1.5 0.880 113.3 52.4 -70.0 -34.0 -8.8 -21.6 23.9 176 177 A D H <>S+ 0 0 1 -4,-2.8 5,-1.1 -5,-0.3 -1,-0.2 0.837 112.6 48.2 -70.3 -26.6 -10.7 -24.7 24.8 177 178 A D H <5S+ 0 0 0 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.913 125.7 24.3 -76.0 -44.8 -10.2 -23.7 28.4 178 179 A I H <5S+ 0 0 0 -4,-2.5 13,-0.3 12,-0.1 -2,-0.2 0.664 133.9 26.9 -98.9 -16.7 -11.3 -20.0 28.2 179 180 A I T <5S+ 0 0 4 -4,-2.7 -3,-0.2 -5,-0.3 3,-0.2 0.828 130.2 15.3-109.5 -55.9 -13.6 -20.0 25.1 180 181 A T T - 0 0 26 -2,-0.3 4,-2.4 1,-0.1 -150,-0.3 -0.109 50.3 -98.2 -64.5 167.1 -20.1 -21.7 31.0 184 185 A A H > S+ 0 0 0 -152,-2.4 4,-2.5 1,-0.2 -150,-0.2 0.826 121.7 48.4 -60.1 -41.3 -21.4 -18.4 29.6 185 186 A I H > S+ 0 0 1 -152,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.906 110.4 52.3 -69.7 -38.2 -20.4 -16.2 32.5 186 187 A S H > S+ 0 0 0 2,-0.2 4,-3.4 1,-0.2 5,-0.5 0.919 109.9 50.0 -60.2 -41.8 -16.9 -17.8 32.6 187 188 A V H X>S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-1.6 0.946 108.1 53.0 -59.7 -47.4 -16.7 -17.0 28.9 188 189 A A H <>S+ 0 0 0 -4,-2.5 5,-1.6 3,-0.2 -2,-0.2 0.905 119.2 34.7 -54.3 -44.2 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-17.1 -3.6 -7.1 16.6 205 206 A L T X5S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.4 -3,-0.2 0.644 125.6 50.4-121.7 -43.4 -2.4 -3.5 17.3 206 207 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.875 100.7 54.9 -63.3 -35.5 0.1 -3.8 13.4 209 210 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -3,-0.4 -1,-0.2 0.925 110.0 44.9 -63.1 -45.2 2.6 -1.1 14.4 210 211 A D H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.891 111.4 54.1 -65.1 -39.1 5.5 -3.4 13.5 211 212 A A H X>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-0.6 0.902 107.4 50.2 -60.6 -43.2 3.7 -4.3 10.2 212 213 A A H ><5S+ 0 0 2 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.911 111.0 48.5 -62.4 -42.3 3.3 -0.7 9.3 213 214 A E H 3<5S+ 0 0 67 -4,-1.9 -2,-0.2 71,-0.3 -1,-0.2 0.881 110.6 52.0 -62.8 -37.4 7.0 -0.1 9.9 214 215 A A H 3<5S- 0 0 25 -4,-2.3 -1,-0.2 70,-0.2 -2,-0.2 0.549 118.0-115.6 -76.1 -9.0 7.8 -3.2 7.8 215 216 A G T <<5S+ 0 0 28 -3,-0.8 2,-1.0 -4,-0.6 -3,-0.2 0.696 72.7 134.4 81.5 21.4 5.6 -1.8 5.0 216 217 A D >< + 0 0 5 -5,-2.8 4,-2.3 1,-0.2 -1,-0.2 -0.716 17.0 160.8-101.5 80.6 3.0 -4.5 5.1 217 218 A Y H > + 0 0 117 -2,-1.0 4,-2.6 2,-0.2 5,-0.3 0.786 67.6 63.8 -76.4 -26.3 -0.1 -2.4 5.0 218 219 A T H > S+ 0 0 23 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.951 112.5 36.9 -57.1 -46.9 -2.4 -5.2 3.8 219 220 A F H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.924 117.0 49.5 -74.0 -44.5 -1.7 -6.9 7.1 220 221 A A H X S+ 0 0 5 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.923 113.9 47.4 -61.4 -42.9 -1.6 -3.9 9.4 221 222 A N H X S+ 0 0 31 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.886 112.6 50.5 -64.6 -41.1 -4.9 -2.7 7.9 222 223 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.967 113.2 41.0 -61.2 -57.3 -6.5 -6.1 8.3 223 224 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.862 113.8 52.7 -70.5 -31.0 -5.6 -6.7 11.9 224 225 A S H X S+ 0 0 3 -4,-1.9 4,-1.0 -5,-0.3 -1,-0.2 0.885 109.9 50.0 -69.5 -33.4 -6.4 -3.2 13.1 225 226 A S H >X S+ 0 0 0 -4,-1.7 4,-0.8 -5,-0.2 3,-0.6 0.923 108.3 53.0 -65.9 -43.0 -9.8 -3.5 11.4 226 227 A I H >X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.2 3,-1.2 0.917 104.1 56.8 -54.8 -42.6 -10.4 -6.7 13.2 227 228 A 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0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.895 111.5 48.3 -66.0 -39.1 21.0 -5.4 25.7 359 360 A E H < S+ 0 0 139 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.897 118.0 40.0 -66.1 -41.0 19.6 -1.9 25.6 360 361 A K H < S+ 0 0 45 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.734 131.6 26.2 -82.1 -22.8 16.0 -3.1 26.0 361 362 A Y S >< S- 0 0 10 -4,-2.2 3,-1.8 -5,-0.2 -1,-0.3 -0.651 85.0-145.6-141.2 78.2 16.9 -5.8 28.5 362 363 A P T 3 S+ 0 0 102 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.166 86.9 28.3 -49.6 131.6 20.0 -4.9 30.5 363 364 A G T > S+ 0 0 23 -5,-0.1 3,-0.6 4,-0.0 4,-0.4 0.420 80.4 125.6 96.7 -0.2 22.0 -8.1 31.2 364 365 A W G X > + 0 0 0 -3,-1.8 5,-2.6 1,-0.2 3,-1.4 0.898 69.5 54.3 -58.9 -44.3 20.7 -10.0 28.2 365 366 A N G 3 5S+ 0 0 38 1,-0.3 -1,-0.2 3,-0.2 8,-0.1 0.792 106.4 51.6 -64.5 -27.1 24.2 -10.8 26.9 366 367 A K G < 5S+ 0 0 125 -3,-0.6 43,-2.9 3,-0.2 -1,-0.3 0.489 123.3 29.5 -86.9 -4.3 25.3 -12.4 30.2 367 368 A R T X>5S+ 0 0 62 -3,-1.4 3,-1.2 -4,-0.4 4,-0.7 0.538 137.5 9.2-114.4 -94.8 22.2 -14.6 30.2 368 369 A W H 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387 A L G < S+ 0 0 31 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.486 98.8 59.3 -83.1 -2.5 25.0 -29.1 17.4 387 388 A V G < S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.175 97.7 67.6-109.5 15.6 22.3 -26.6 16.4 388 389 A S S < S- 0 0 53 -3,-1.0 -51,-0.1 -51,-0.1 -52,-0.1 -0.998 84.8-116.2-133.9 140.1 19.5 -29.3 16.1 389 390 A P - 0 0 16 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.325 17.5-169.3 -80.1 154.8 18.0 -31.2 19.0 390 391 A E S S+ 0 0 98 444,-0.1 2,-0.3 -2,-0.1 73,-0.1 0.153 73.7 40.1-124.7 15.4 18.2 -34.9 19.7 391 392 A T S S- 0 0 24 443,-0.1 425,-0.1 425,-0.1 71,-0.0 -0.943 85.0 -95.5-149.6 174.1 15.7 -35.0 22.5 392 393 A L - 0 0 33 423,-0.3 423,-2.7 -2,-0.3 2,-0.2 -0.668 34.0-120.6 -89.7 146.9 12.3 -33.5 23.6 393 394 A P B -A 814 0A 15 0, 0.0 421,-0.3 0, 0.0 2,-0.3 -0.533 34.9-104.6 -74.9 153.4 11.9 -30.5 25.8 394 395 A S - 0 0 0 419,-3.0 9,-2.7 9,-0.2 2,-0.4 -0.644 43.0-143.7 -77.3 142.5 10.0 -31.1 29.1 395 396 A V B -E 402 0B 11 7,-0.3 31,-0.2 -2,-0.3 2,-0.1 -0.874 10.6-112.5-121.7 140.5 6.5 -29.5 28.8 396 397 A C > - 0 0 0 5,-2.4 4,-1.2 -2,-0.4 31,-0.2 -0.435 18.1-141.2 -67.8 135.5 4.2 -27.7 31.2 397 398 A N T 4 S+ 0 0 7 29,-3.1 30,-0.1 -2,-0.1 -1,-0.1 0.545 99.6 36.2 -74.6 -6.4 1.1 -29.7 32.0 398 399 A M T 4 S+ 0 0 0 28,-0.3 -1,-0.1 3,-0.1 29,-0.1 0.776 126.6 28.3-104.2 -64.6 -0.9 -26.4 31.9 399 400 A S T 4 S- 0 0 6 2,-0.1 -225,-0.2 1,-0.1 -2,-0.1 0.730 88.6-137.0 -74.9 -18.5 0.5 -24.2 29.2 400 401 A Q < + 0 0 5 -4,-1.2 -230,-0.2 1,-0.3 -3,-0.1 0.647 67.0 120.7 68.0 15.4 1.7 -27.0 26.9 401 402 A I S S- 0 0 2 1,-0.1 -5,-2.4 -231,-0.1 -1,-0.3 -0.848 74.1 -88.4-109.2 146.3 4.9 -24.9 26.4 402 403 A P B -E 395 0B 27 0, 0.0 2,-0.6 0, 0.0 -7,-0.3 -0.093 43.2-103.5 -56.3 154.8 8.3 -26.2 27.4 403 404 A L + 0 0 3 -9,-2.7 410,-2.1 410,-0.3 -9,-0.2 -0.684 52.9 170.4 -83.4 116.2 9.7 -25.6 30.9 404 405 A V B +F 812 0C 17 -2,-0.6 10,-0.5 408,-0.2 408,-0.3 -0.735 17.2 173.6-126.7 171.1 12.3 -22.8 30.8 405 406 A G - 0 0 12 406,-2.4 8,-0.3 -2,-0.2 6,-0.1 -0.759 47.9 -61.2-152.0-162.9 14.4 -20.6 33.1 406 407 A V B -G 412 0D 6 6,-2.9 6,-2.2 -2,-0.2 403,-0.2 -0.862 52.8-159.7 -97.7 122.4 17.1 -18.0 32.9 407 408 A P > + 0 0 0 0, 0.0 3,-0.5 0, 0.0 403,-0.2 -0.270 44.6 31.1 -90.3-179.6 20.4 -19.3 31.4 408 409 A G G > S+ 0 0 1 401,-1.8 3,-1.5 1,-0.2 -41,-0.2 -0.425 110.3 4.2 84.6-145.3 23.9 -18.0 31.6 409 410 A D G 3 S+ 0 0 69 -43,-2.9 -1,-0.2 1,-0.3 -42,-0.1 0.806 138.1 30.8 -57.1 -40.6 25.7 -16.2 34.4 410 411 A D G < S- 0 0 80 -3,-0.5 -1,-0.3 -44,-0.3 -4,-0.1 -0.333 87.5-169.4-116.3 54.1 22.9 -16.2 37.0 411 412 A W < + 0 0 45 -3,-1.5 2,-0.3 -6,-0.1 400,-0.1 -0.053 14.3 162.7 -41.9 127.7 21.2 -19.5 36.0 412 413 A N B +G 406 0D 67 -6,-2.2 -6,-2.9 398,-0.2 2,-0.4 -0.869 4.8 163.5-154.7 122.3 17.9 -20.1 37.6 413 414 A I - 0 0 6 -2,-0.3 2,-0.4 -8,-0.3 -8,-0.2 -1.000 10.1-173.1-139.8 135.9 15.2 -22.6 36.6 414 415 A E - 0 0 70 -10,-0.5 2,-0.4 -2,-0.4 -10,-0.1 -0.989 8.7-166.0-135.4 128.8 12.2 -23.9 38.6 415 416 A V - 0 0 8 -2,-0.4 2,-0.7 -12,-0.1 13,-0.2 -0.916 15.2-147.0-106.3 136.8 9.7 -26.5 37.8 416 417 A F E -H 427 0E 20 11,-3.0 11,-2.1 -2,-0.4 13,-0.2 -0.900 23.7-168.3-108.6 106.3 6.5 -26.6 40.0 417 418 A S E -H 426 0E 42 -2,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.499 10.6-171.0-103.0 164.9 5.4 -30.2 40.4 418 419 A L E -H 425 0E 30 7,-2.2 7,-3.1 -2,-0.2 2,-0.5 -0.943 17.2-147.0-156.3 125.7 2.3 -31.8 41.7 419 420 A E E +H 424 0E 167 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.828 32.1 164.8 -88.4 131.5 1.1 -35.3 42.6 420 421 A H E > -H 423 0E 40 3,-2.7 3,-1.1 -2,-0.5 -2,-0.1 -0.928 60.8 -15.3-153.2 124.6 -2.6 -35.7 41.9 421 422 A N T 3 S- 0 0 125 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.899 128.3 -47.6 47.8 50.9 -4.7 -38.9 41.6 422 423 A G T 3 S+ 0 0 93 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.636 118.8 103.3 72.2 16.9 -1.7 -41.2 41.2 423 424 A R E < -H 420 0E 58 -3,-1.1 -3,-2.7 2,-0.0 2,-0.6 -0.970 64.7-133.1-133.3 147.6 0.0 -39.0 38.6 424 425 A L E -H 419 0E 40 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.888 25.7-172.8-102.8 117.8 3.0 -36.6 38.6 425 426 A Y E -H 418 0E 5 -7,-3.1 -7,-2.2 -2,-0.6 2,-0.4 -0.779 8.9-152.6-108.0 153.5 2.4 -33.3 36.8 426 427 A H E -H 417 0E 10 -2,-0.3 -29,-3.1 -9,-0.2 2,-0.3 -0.991 9.3-168.0-130.4 131.6 4.9 -30.6 36.1 427 428 A F E -H 416 0E 0 -11,-2.1 -11,-3.0 -2,-0.4 -31,-0.1 -0.896 25.0-138.1-121.7 149.7 4.2 -26.9 35.7 428 429 A G S S+ 0 0 10 -2,-0.3 2,-0.3 -13,-0.2 -14,-0.2 0.422 86.3 15.7 -84.8 0.7 6.4 -24.0 34.4 429 430 A S S > S- 0 0 10 -13,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.981 75.9-108.7-162.5 162.5 5.3 -21.6 37.1 430 431 A E H > S+ 0 0 84 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.846 120.0 53.2 -58.7 -36.6 3.6 -21.3 40.6 431 432 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.907 103.9 53.0 -72.0 -40.0 0.6 -19.8 38.8 432 433 A D H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 111.2 47.7 -61.7 -40.9 0.2 -22.6 36.2 433 434 A R H X S+ 0 0 59 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.923 110.7 52.0 -62.2 -43.7 0.1 -25.1 39.1 434 435 A W H X S+ 0 0 49 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.910 106.1 54.4 -58.9 -43.3 -2.4 -22.9 40.9 435 436 A V H X S+ 0 0 1 -4,-2.9 4,-0.7 1,-0.2 3,-0.4 0.918 108.3 49.2 -55.7 -46.9 -4.6 -22.8 37.8 436 437 A F H >< S+ 0 0 2 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.932 109.8 51.5 -57.7 -46.8 -4.6 -26.6 37.7 437 438 A Q H 3< S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.732 99.1 65.8 -68.3 -19.4 -5.6 -26.7 41.4 438 439 A Q H 3< S+ 0 0 78 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.788 126.2 3.9 -69.0 -26.4 -8.5 -24.3 40.8 439 440 A D XX + 0 0 44 -3,-1.2 3,-1.7 -4,-0.7 4,-0.6 -0.354 66.5 170.6-159.5 64.7 -10.3 -26.8 38.6 440 441 A P H >> S+ 0 0 38 0, 0.0 4,-3.2 0, 0.0 3,-1.2 0.801 76.4 65.8 -59.1 -29.8 -8.6 -30.2 38.4 441 442 A V H 34 S+ 0 0 68 1,-0.3 4,-0.3 2,-0.2 98,-0.1 0.819 98.0 57.1 -62.2 -26.3 -11.6 -31.9 36.6 442 443 A Q H <4 S+ 0 0 2 -3,-1.7 95,-2.7 -6,-0.2 -1,-0.3 0.812 127.1 13.0 -67.2 -28.4 -10.9 -29.6 33.6 443 444 A Y H X< S+ 0 0 4 -3,-1.2 3,-2.1 -4,-0.6 -2,-0.2 0.620 91.8 100.9-124.6 -23.9 -7.3 -30.8 33.3 444 445 A Q T 3< S+ 0 0 27 -4,-3.2 -3,-0.1 1,-0.3 -2,-0.1 0.761 92.1 36.1 -57.6 -34.8 -6.5 -33.9 35.2 445 446 A N T 3 S+ 0 0 71 -4,-0.3 -1,-0.3 -5,-0.2 2,-0.2 0.403 88.3 115.9 -99.5 5.5 -6.7 -36.5 32.5 446 447 A H < - 0 0 8 -3,-2.1 2,-0.5 91,-0.1 91,-0.1 -0.499 53.9-151.6 -68.8 138.8 -5.2 -34.3 29.8 447 448 A M - 0 0 53 89,-0.2 -2,-0.1 -2,-0.2 -3,-0.0 -0.972 5.7-141.7-114.7 126.4 -1.9 -35.6 28.5 448 449 A N > - 0 0 2 -2,-0.5 4,-2.5 -53,-0.1 5,-0.2 -0.246 36.5 -93.9 -77.5 173.2 0.6 -33.2 27.1 449 450 A I H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.859 127.4 48.6 -62.4 -34.9 2.7 -34.2 24.0 450 451 A V H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 109.1 53.7 -69.4 -41.3 5.6 -35.5 26.2 451 452 A D H > S+ 0 0 30 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.911 110.9 47.0 -54.6 -45.7 3.2 -37.5 28.3 452 453 A R H <>S+ 0 0 21 -4,-2.5 5,-2.3 2,-0.2 6,-0.6 0.906 109.7 53.3 -64.6 -41.1 1.9 -39.1 25.1 453 454 A F H ><5S+ 0 0 16 -4,-2.1 3,-0.8 1,-0.2 5,-0.2 0.910 112.5 44.2 -60.0 -43.2 5.4 -39.7 23.9 454 455 A L H 3<5S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.739 109.6 56.8 -75.0 -23.9 6.3 -41.6 27.1 455 456 A A T 3<5S- 0 0 61 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.390 117.3-108.1 -88.8 0.1 3.0 -43.5 27.1 456 457 A G T < 5S+ 0 0 33 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.633 84.8 121.9 85.9 14.5 3.6 -45.0 23.6 457 458 A Q < + 0 0 98 -5,-2.3 2,-0.6 -6,-0.2 -4,-0.2 0.630 63.6 67.0 -82.9 -14.1 1.0 -42.9 21.7 458 459 A I S S- 0 0 1 -6,-0.6 -1,-0.1 -5,-0.2 8,-0.1 -0.922 84.5-138.1-114.3 109.2 3.7 -41.5 19.3 459 460 A Q S S+ 0 0 126 -2,-0.6 2,-0.2 6,-0.2 -6,-0.0 -0.970 79.9 25.6-126.6 134.5 5.2 -44.1 17.0 460 461 A P S S- 0 0 71 0, 0.0 2,-1.8 0, 0.0 -1,-0.0 0.630 85.8-132.8 -75.6 167.2 7.9 -44.4 16.3 461 462 A M S S+ 0 0 88 -2,-0.2 2,-0.3 4,-0.1 -2,-0.1 -0.514 71.7 96.5 -84.4 72.7 9.5 -42.8 19.3 462 463 A T S > S- 0 0 65 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.850 91.6 -92.6-146.8 173.3 11.9 -40.6 17.4 463 464 A L H > S+ 0 0 79 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.946 127.4 48.3 -58.8 -49.7 12.2 -37.1 16.1 464 465 A E H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 110.1 52.2 -58.6 -42.9 10.7 -38.2 12.8 465 466 A G H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 111.4 46.5 -59.2 -42.2 7.9 -40.0 14.6 466 467 A A H X S+ 0 0 5 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.890 110.0 53.3 -68.6 -39.5 7.0 -36.9 16.6 467 468 A L H <>S+ 0 0 6 -4,-2.7 5,-1.7 1,-0.2 4,-0.2 0.894 110.7 47.2 -64.6 -38.5 7.1 -34.7 13.5 468 469 A K H ><5S+ 0 0 84 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.905 110.1 52.6 -67.1 -40.4 4.7 -37.1 11.7 469 470 A Y H 3<5S+ 0 0 54 -4,-2.1 -305,-0.5 1,-0.3 -2,-0.2 0.872 102.7 59.9 -61.2 -35.3 2.5 -37.1 14.8 470 471 A M T 3<5S- 0 0 7 -4,-2.1 -305,-0.6 -307,-0.1 -1,-0.3 0.527 122.2-106.5 -76.1 -5.5 2.4 -33.4 14.7 471 472 A G T < 5 + 0 0 21 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.545 60.7 157.7 99.8 8.4 0.9 -33.4 11.3 472 473 A F < - 0 0 7 -5,-1.7 -1,-0.3 1,-0.2 3,-0.1 -0.553 17.2-174.6 -68.0 124.5 3.8 -32.4 9.0 473 474 A Q + 0 0 81 -2,-0.4 22,-0.3 1,-0.2 2,-0.3 0.485 63.6 14.9-104.4 -7.8 2.9 -33.7 5.6 474 475 A S S >> S- 0 0 0 20,-0.1 3,-1.0 1,-0.1 4,-0.5 -0.984 76.1-108.6-158.5 165.0 6.2 -32.8 3.8 475 476 A I G >4 S+ 0 0 77 20,-1.2 3,-1.0 -2,-0.3 21,-0.1 0.851 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115.4 49.7 -60.9 -47.5 -42.1 1.9 20.1 663 172 B E H >X S+ 0 0 4 -4,-2.7 3,-1.1 1,-0.2 4,-0.8 0.929 110.3 49.1 -60.8 -46.0 -43.2 3.7 16.9 664 173 B L H >X S+ 0 0 3 -4,-3.0 4,-2.4 1,-0.2 3,-0.8 0.860 104.3 61.3 -60.1 -35.4 -46.8 2.6 17.1 665 174 B S H 3< S+ 0 0 24 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.726 94.3 63.8 -64.9 -22.5 -46.9 3.6 20.8 666 175 B L H << S+ 0 0 93 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.853 112.7 33.1 -71.7 -33.6 -46.2 7.2 19.7 667 176 B T H << S+ 0 0 51 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.783 131.9 34.3 -87.3 -31.9 -49.5 7.4 17.9 668 177 B Y >< + 0 0 41 -4,-2.4 3,-0.8 -5,-0.2 5,-0.4 -0.706 65.6 163.4-126.1 80.0 -51.3 5.1 20.3 669 178 B P T 3 + 0 0 81 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.542 69.8 59.1 -80.1 -4.2 -49.9 5.8 23.8 670 179 B D T 3 S+ 0 0 152 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 -0.119 81.6 81.0-116.5 36.1 -52.8 4.1 25.7 671 180 B A S < S- 0 0 18 -3,-0.8 -1,-0.2 2,-0.1 5,-0.1 0.347 103.0-108.2-119.5 1.5 -52.7 0.6 24.3 672 181 B G >> + 0 0 6 -3,-0.3 3,-2.3 1,-0.3 4,-2.2 0.531 58.3 165.5 81.7 7.6 -49.9 -0.8 26.5 673 182 B L T 34 S+ 0 0 9 -5,-0.4 -1,-0.3 1,-0.3 -2,-0.1 -0.397 72.1 5.9 -59.6 120.8 -47.5 -0.9 23.6 674 183 B G T 34 S+ 0 0 26 -2,-0.2 -1,-0.3 -64,-0.1 -12,-0.1 0.426 127.9 66.7 85.6 0.2 -44.0 -1.4 24.9 675 184 B E T <4 S+ 0 0 133 -3,-2.3 4,-0.2 2,-0.0 3,-0.2 0.708 99.4 34.7-117.9 -38.2 -45.3 -1.9 28.5 676 185 B H S X S+ 0 0 99 -4,-2.2 4,-2.0 1,-0.1 5,-0.2 0.314 78.4 104.7-112.1 8.1 -47.3 -5.1 28.7 677 186 B E H > S+ 0 0 0 -5,-0.3 4,-2.9 1,-0.2 5,-0.2 0.874 81.0 52.1 -63.9 -38.2 -45.6 -7.6 26.4 678 187 B R H > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.938 110.0 50.5 -62.5 -44.1 -43.9 -9.6 29.2 679 188 B E H >>S+ 0 0 101 2,-0.2 4,-2.5 -4,-0.2 5,-0.5 0.882 112.7 46.7 -56.5 -43.4 -47.3 -10.0 30.9 680 189 B L H X5S+ 0 0 28 -4,-2.0 4,-1.6 2,-0.2 7,-0.3 0.945 111.9 49.1 -67.0 -48.3 -48.9 -11.1 27.7 681 190 B W H <5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.910 120.0 39.8 -55.0 -42.2 -46.1 -13.6 26.9 682 191 B E H <5S+ 0 0 25 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.827 133.6 13.3 -78.2 -33.9 -46.4 -15.0 30.4 683 192 B K H <5S+ 0 0 124 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.692 89.8 103.0-123.3 -27.5 -50.2 -15.0 31.0 684 193 B E >X< - 0 0 50 -4,-1.6 3,-1.8 -5,-0.5 4,-0.8 -0.488 64.1-138.5 -68.1 125.9 -52.2 -14.5 27.8 685 194 B P H >> S+ 0 0 90 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.853 99.9 61.5 -53.1 -39.6 -53.7 -17.9 26.7 686 195 B G H 34 S+ 0 0 4 1,-0.3 4,-0.3 2,-0.2 108,-0.1 0.704 108.9 43.5 -63.2 -20.0 -53.0 -17.1 23.0 687 196 B W H <> S+ 0 0 0 -3,-1.8 4,-2.4 -7,-0.3 -1,-0.3 0.576 93.9 81.6 -95.6 -12.8 -49.2 -16.9 23.8 688 197 B Q H S+ 0 0 0 97,-0.4 4,-2.5 -4,-0.3 -2,-0.2 0.895 113.8 49.2 -65.8 -41.8 -45.9 -20.8 21.8 691 200 B R H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.923 112.8 46.5 -68.0 -41.5 -44.2 -20.2 25.2 692 201 B E H X S+ 0 0 46 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.940 112.3 52.3 -64.1 -45.4 -44.5 -23.9 26.2 693 202 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.929 114.4 41.3 -51.6 -49.8 -43.3 -24.9 22.8 694 203 B M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.872 111.5 53.2 -75.0 -37.7 -40.2 -22.7 23.0 695 204 B E H < S+ 0 0 0 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.923 115.8 42.3 -62.5 -39.8 -39.3 -23.4 26.7 696 205 B K H >< S+ 0 0 73 -4,-2.2 3,-1.3 -5,-0.3 -2,-0.2 0.918 113.6 51.0 -72.5 -41.3 -39.4 -27.1 25.9 697 206 B Q H >< S+ 0 0 2 -4,-2.6 3,-1.9 -5,-0.3 -2,-0.2 0.886 104.1 58.9 -62.2 -38.4 -37.5 -26.7 22.6 698 207 B L T 3< S+ 0 0 4 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.604 103.9 53.3 -67.7 -11.5 -34.8 -24.7 24.3 699 208 B T T < S+ 0 0 40 -3,-1.3 2,-0.9 -4,-0.3 -1,-0.3 0.189 77.7 103.9-110.1 16.1 -34.2 -27.7 26.5 700 209 B A < + 0 0 9 -3,-1.9 9,-0.0 1,-0.1 -3,-0.0 -0.857 47.3 175.0 -90.4 100.9 -33.7 -30.1 23.7 701 210 B F + 0 0 28 -2,-0.9 2,-0.2 4,-0.1 -1,-0.1 0.661 41.6 102.3 -93.2 -18.3 -30.0 -30.4 23.9 702 211 B D S > S- 0 0 21 1,-0.2 4,-3.0 -150,-0.0 5,-0.2 -0.504 73.2-134.9 -62.7 130.1 -29.2 -33.1 21.3 703 212 B W H > S+ 0 0 2 -154,-2.9 4,-2.5 1,-0.2 5,-0.2 0.892 102.1 48.1 -59.9 -39.2 -27.9 -31.2 18.3 704 213 B G H > S+ 0 0 0 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