==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-APR-01 1HBZ . COMPND 2 MOLECULE: CATALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROCOCCUS LYSODEIKTICUS; . AUTHOR G.N.MURSHUDOV,A.I.GREBENKO,V.V.BARYNIN,J.BRANINGEN, . 498 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 27 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 1 0 1 0 2 2 2 1 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 0 1 0 3 0 1 2 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 . 0 0 0 0 0 0 0 0 0 1 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 6 A T 0 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.7 -12.5 18.1 -29.8 2 7 A T > - 0 0 82 1,-0.1 3,-1.7 0, 0.0 0, 0.0 -0.524 360.0-104.8 -86.2 159.5 -15.8 16.7 -28.5 3 8 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.792 119.4 36.9 -57.5 -31.0 -18.9 18.9 -28.8 4 9 A H T 3 S+ 0 0 156 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.152 86.0 146.1-111.3 21.3 -19.0 19.9 -25.2 5 10 A A < - 0 0 48 -3,-1.7 4,-0.1 1,-0.1 9,-0.0 -0.197 28.0-175.2 -60.1 149.2 -15.2 20.1 -24.6 6 11 A T - 0 0 73 2,-0.5 -1,-0.1 12,-0.0 3,-0.1 0.422 59.2 -83.1-124.6 -3.9 -13.9 22.7 -22.2 7 12 A G S S+ 0 0 76 1,-0.2 2,-0.3 11,-0.1 -2,-0.1 0.215 104.6 27.5 119.3 -14.9 -10.1 22.4 -22.5 8 13 A S - 0 0 35 5,-0.0 8,-2.3 0, 0.0 -2,-0.5 -0.956 69.8-132.2-164.8 168.7 -9.3 19.5 -20.2 9 14 A T B -A 15 0A 81 6,-0.3 2,-0.1 -2,-0.3 5,-0.1 -0.794 14.9-117.0-126.2 164.9 -11.0 16.3 -18.8 10 15 A R > - 0 0 68 4,-2.5 3,-1.6 -2,-0.3 6,-0.1 -0.249 56.1 -83.8 -79.7-176.1 -11.6 14.5 -15.6 11 16 A Q T 3 S+ 0 0 139 1,-0.3 26,-0.0 -2,-0.1 5,-0.0 0.759 129.5 57.7 -68.8 -22.1 -10.2 11.0 -15.3 12 17 A N T 3 S- 0 0 109 2,-0.1 -1,-0.3 3,-0.0 0, 0.0 0.390 119.8-106.4 -86.4 2.5 -13.1 9.4 -17.1 13 18 A G S < S+ 0 0 51 -3,-1.6 -2,-0.1 1,-0.3 3,-0.1 0.341 77.9 130.9 88.8 -3.9 -12.5 11.6 -20.2 14 19 A A S S- 0 0 27 1,-0.1 -4,-2.5 -5,-0.1 -1,-0.3 -0.491 72.3 -83.0 -80.4 149.3 -15.5 13.9 -19.6 15 20 A P B -A 9 0A 33 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.221 32.5-147.3 -49.7 135.6 -15.0 17.7 -19.8 16 21 A A - 0 0 7 -8,-2.3 2,-2.0 1,-0.1 -7,-0.2 0.681 14.3-153.2 -82.4 -18.9 -13.6 19.0 -16.5 17 22 A V S S+ 0 0 120 -9,-0.4 2,-0.3 2,-0.1 -1,-0.1 -0.322 71.0 19.2 75.1 -52.4 -15.4 22.5 -16.7 18 23 A S - 0 0 42 -2,-2.0 -11,-0.1 1,-0.1 19,-0.0 -0.952 40.4-179.5-151.5 131.2 -12.8 24.3 -14.6 19 24 A D S S+ 0 0 106 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.194 93.6 48.3 -97.5 12.4 -9.2 23.7 -13.5 20 25 A R S S+ 0 0 222 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.581 103.5 44.9-131.4 -16.1 -9.4 27.0 -11.5 21 26 A Q - 0 0 152 3,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.999 68.3-129.6-139.5 141.5 -12.6 27.3 -9.4 22 27 A S - 0 0 46 -2,-0.3 2,-0.7 -3,-0.1 -3,-0.0 -0.380 34.0 -96.8 -84.7 163.8 -14.4 24.9 -7.0 23 28 A L + 0 0 82 9,-0.2 9,-2.1 -2,-0.1 2,-0.3 -0.727 55.3 168.8 -88.7 114.7 -18.1 24.1 -7.1 24 29 A T B -B 31 0B 52 -2,-0.7 2,-1.2 7,-0.2 7,-0.2 -0.812 47.0-104.3-126.6 163.0 -19.9 26.2 -4.5 25 30 A V S > S- 0 0 93 5,-1.6 4,-0.6 -2,-0.3 3,-0.2 -0.741 97.2 -34.0 -86.3 94.0 -23.4 27.2 -3.4 26 31 A G T >4 S- 0 0 52 -2,-1.2 3,-0.8 1,-0.2 0, 0.0 0.055 94.7 -66.3 71.7 175.3 -23.4 30.6 -4.9 27 32 A S T 34 S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.817 137.1 39.9 -66.2 -30.7 -20.2 32.7 -5.0 28 33 A E T 34 S+ 0 0 175 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.448 99.5 97.4 -99.5 -0.7 -20.1 33.0 -1.2 29 34 A G S << S- 0 0 24 -3,-0.8 -3,-0.1 -4,-0.6 3,-0.1 -0.167 76.8 -79.8 -90.0 177.9 -21.1 29.5 -0.2 30 35 A P - 0 0 94 0, 0.0 -5,-1.6 0, 0.0 2,-0.3 -0.237 46.4 -99.1 -72.7 159.9 -19.4 26.3 0.8 31 36 A I B -B 24 0B 93 -7,-0.2 -7,-0.2 1,-0.1 2,-0.2 -0.626 41.2-127.8 -73.9 136.7 -17.8 23.8 -1.5 32 37 A V > - 0 0 35 -9,-2.1 3,-1.4 -2,-0.3 -9,-0.2 -0.564 12.0-121.8 -86.9 152.7 -20.1 20.8 -2.1 33 38 A L T 3 S+ 0 0 152 1,-0.3 6,-0.1 -2,-0.2 -1,-0.1 0.832 105.8 67.0 -60.2 -32.5 -19.0 17.2 -1.6 34 39 A H T 3 + 0 0 134 1,-0.1 2,-1.9 4,-0.0 -1,-0.3 0.155 57.4 120.4 -87.6 25.6 -19.7 16.4 -5.2 35 40 A D <> + 0 0 18 -3,-1.4 4,-2.3 1,-0.2 5,-0.1 -0.634 39.7 175.5 -78.1 82.1 -17.0 18.6 -6.8 36 41 A T H > S+ 0 0 63 -2,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.758 71.0 55.1 -68.2 -26.0 -15.6 15.4 -8.3 37 42 A H H > S+ 0 0 19 2,-0.2 4,-2.4 -3,-0.2 5,-0.2 0.897 108.7 48.3 -74.8 -40.8 -12.9 17.2 -10.2 38 43 A L H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.941 115.0 46.9 -57.6 -46.8 -11.6 18.8 -7.0 39 44 A L H X S+ 0 0 70 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.950 113.1 46.9 -64.2 -45.7 -11.7 15.4 -5.4 40 45 A E H X S+ 0 0 54 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.941 115.3 45.2 -64.6 -45.8 -10.0 13.5 -8.2 41 46 A T H X S+ 0 0 64 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.895 116.9 44.1 -68.5 -38.2 -7.2 16.1 -8.6 42 47 A H H X S+ 0 0 101 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.899 112.0 52.2 -71.3 -40.7 -6.5 16.4 -4.9 43 48 A Q H < S+ 0 0 106 -4,-2.9 4,-0.2 -5,-0.3 -2,-0.2 0.885 113.0 46.3 -64.3 -33.7 -6.6 12.7 -4.2 44 49 A H H >< S+ 0 0 110 -4,-2.0 3,-1.9 -5,-0.3 -1,-0.2 0.927 109.9 52.3 -70.9 -46.0 -4.1 12.2 -7.0 45 50 A F H >< S+ 0 0 136 -4,-2.1 3,-1.4 1,-0.3 4,-0.4 0.909 106.3 55.4 -50.9 -42.7 -1.9 15.0 -5.8 46 51 A N T 3< S+ 0 0 112 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.554 111.9 43.6 -70.9 -8.3 -1.9 13.4 -2.4 47 52 A R T < S+ 0 0 158 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.101 83.8 97.9-121.7 14.2 -0.6 10.1 -3.9 48 53 A M < + 0 0 102 -3,-1.4 2,-0.2 -4,-0.2 -2,-0.1 0.874 67.9 78.5 -69.7 -39.2 2.0 11.6 -6.3 49 54 A N - 0 0 153 -4,-0.4 3,-0.0 -3,-0.0 0, 0.0 -0.507 60.8-171.7 -75.2 141.4 4.9 10.9 -3.9 50 55 A I - 0 0 45 -2,-0.2 295,-0.1 1,-0.0 296,-0.1 -0.849 42.3 -77.3-124.1 157.9 6.3 7.4 -3.7 51 56 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.347 53.0-120.8 -55.2 136.2 8.9 6.2 -1.1 52 57 A E - 0 0 58 1,-0.1 5,-0.1 -3,-0.0 6,-0.1 -0.366 38.2 -86.0 -71.6 158.4 12.4 7.3 -2.2 53 58 A R - 0 0 22 4,-0.2 4,-0.4 3,-0.2 -1,-0.1 -0.348 40.4-121.6 -62.9 143.6 15.0 4.7 -2.8 54 59 A R S S+ 0 0 166 2,-0.2 2,-0.1 1,-0.1 43,-0.1 -0.956 93.7 7.6-125.1 113.2 17.0 3.5 0.1 55 60 A P S S+ 0 0 17 0, 0.0 42,-0.2 0, 0.0 -1,-0.1 0.670 132.2 35.1 -84.5-165.8 19.9 4.0 -0.5 56 61 A H + 0 0 37 40,-2.2 -3,-0.2 -2,-0.1 -2,-0.2 0.765 63.5 151.7 74.6 34.4 20.5 6.2 -3.7 57 62 A A + 0 0 0 39,-0.5 2,-0.7 41,-0.5 -4,-0.2 0.851 55.3 65.9 -61.2 -37.0 17.5 8.4 -3.5 58 63 A K S S+ 0 0 1 40,-0.6 37,-1.9 45,-0.1 2,-0.3 -0.785 75.3 101.4 -99.1 115.7 19.1 11.4 -5.2 59 64 A G E -C 94 0C 0 -2,-0.7 2,-0.3 35,-0.2 35,-0.2 -0.983 40.0-157.5-171.8 177.9 19.9 10.9 -8.8 60 65 A S E -C 93 0C 9 33,-1.7 33,-3.1 -2,-0.3 2,-0.3 -0.930 15.3-177.8-160.1 179.2 19.1 11.3 -12.5 61 66 A G E -C 92 0C 2 -2,-0.3 2,-0.3 31,-0.3 31,-0.2 -0.929 13.8-139.0-167.8-170.7 20.0 9.6 -15.8 62 67 A A E -C 91 0C 0 29,-1.9 29,-2.5 -2,-0.3 2,-0.2 -0.961 24.0-107.9-162.2 161.9 19.8 9.3 -19.6 63 68 A F E +CD 90 300C 6 237,-3.0 236,-2.1 -2,-0.3 237,-1.9 -0.625 44.8 140.1 -96.5 158.5 19.4 6.8 -22.4 64 69 A G E -CD 89 298C 5 25,-2.3 25,-2.3 234,-0.3 2,-0.3 -0.799 39.7 -89.1-165.9-153.6 22.1 5.7 -24.8 65 70 A E E -CD 88 297C 63 232,-2.4 232,-2.9 23,-0.3 2,-0.4 -0.993 15.0-148.6-145.3 144.6 23.7 2.9 -26.7 66 71 A F E -CD 87 296C 0 21,-2.6 21,-2.4 -2,-0.3 2,-0.5 -0.970 15.4-166.0-113.2 133.0 26.4 0.3 -26.1 67 72 A E E -CD 86 295C 74 228,-2.4 228,-2.2 -2,-0.4 2,-0.5 -0.985 14.7-140.2-123.2 123.9 28.5 -0.9 -29.1 68 73 A V E + D 0 294C 2 17,-2.4 16,-0.4 -2,-0.5 226,-0.3 -0.712 26.8 168.2 -78.9 127.2 30.7 -4.0 -29.0 69 74 A T + 0 0 63 224,-2.0 2,-0.3 -2,-0.5 225,-0.2 0.403 57.7 53.1-121.0 -0.1 33.9 -3.3 -30.8 70 75 A E S S- 0 0 95 223,-1.6 2,-0.7 11,-0.1 14,-0.3 -0.767 84.5-108.3-127.9 170.5 36.1 -6.3 -29.8 71 76 A D + 0 0 103 -2,-0.3 3,-0.2 1,-0.1 11,-0.1 -0.895 44.8 152.9-108.5 104.7 35.5 -10.1 -29.9 72 77 A V >> + 0 0 1 -2,-0.7 3,-2.0 9,-0.5 4,-1.3 0.070 34.0 120.2-113.6 22.6 35.0 -11.5 -26.4 73 78 A S T 34 + 0 0 44 1,-0.3 132,-0.4 2,-0.2 -1,-0.1 0.761 65.3 65.7 -60.5 -24.7 32.9 -14.5 -27.6 74 79 A K T 34 S+ 0 0 132 1,-0.2 -1,-0.3 -3,-0.2 130,-0.2 0.740 108.3 41.6 -69.3 -16.9 35.4 -16.9 -26.2 75 80 A Y T <4 S+ 0 0 41 -3,-2.0 2,-0.3 1,-0.3 135,-0.2 0.767 122.6 18.2-101.1 -29.8 34.4 -15.7 -22.8 76 81 A T < - 0 0 0 -4,-1.3 128,-0.3 126,-0.1 -1,-0.3 -1.000 42.3-156.8-145.7 149.2 30.6 -15.3 -23.0 77 82 A K + 0 0 71 126,-2.3 127,-0.1 -2,-0.3 245,-0.1 0.365 54.3 132.1 -94.2 1.1 27.6 -16.4 -25.0 78 83 A A > - 0 0 0 125,-0.3 3,-1.3 244,-0.3 4,-0.2 -0.321 57.7-138.5 -61.5 132.8 25.6 -13.4 -23.9 79 84 A L G > S+ 0 0 74 242,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.867 98.0 62.9 -60.2 -39.5 23.9 -11.8 -26.9 80 85 A V G 3 S+ 0 0 1 1,-0.3 -1,-0.3 36,-0.1 -12,-0.1 0.772 108.0 42.5 -59.5 -26.9 24.6 -8.3 -25.7 81 86 A F G < S+ 0 0 0 -3,-1.3 -9,-0.5 -9,-0.1 -1,-0.3 0.207 84.4 120.0-109.1 15.9 28.4 -8.8 -25.9 82 87 A Q S X S- 0 0 49 -3,-1.7 3,-2.1 -4,-0.2 -14,-0.2 -0.450 80.4 -68.7 -77.5 154.3 28.6 -10.7 -29.2 83 88 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 -12,-0.1 -0.095 115.1 0.6 -48.0 131.7 30.7 -9.2 -32.0 84 89 A G T 3 S+ 0 0 54 -16,-0.4 2,-0.2 -14,-0.3 -15,-0.1 0.341 88.7 152.0 75.1 1.3 29.3 -6.0 -33.5 85 90 A T < - 0 0 40 -3,-2.1 -17,-2.4 -6,-0.1 2,-0.4 -0.375 28.2-162.7 -73.7 133.8 26.2 -5.9 -31.3 86 91 A K E -C 67 0C 139 -19,-0.2 2,-0.4 -2,-0.2 -19,-0.2 -0.958 12.5-176.7-114.1 131.1 24.6 -2.5 -30.6 87 92 A T E -C 66 0C 11 -21,-2.4 -21,-2.6 -2,-0.4 31,-0.1 -0.990 27.2-117.9-133.5 136.2 22.2 -2.3 -27.6 88 93 A E E -C 65 0C 61 29,-0.4 29,-2.7 -2,-0.4 2,-0.3 -0.413 38.8-167.0 -67.6 141.3 20.0 0.5 -26.2 89 94 A T E -CE 64 116C 0 -25,-2.3 -25,-2.3 27,-0.2 2,-0.4 -0.893 22.3-156.5-130.2 161.8 20.8 1.5 -22.6 90 95 A L E -CE 63 115C 0 25,-1.7 25,-3.0 -2,-0.3 2,-0.4 -0.994 16.0-169.8-132.4 134.2 19.5 3.4 -19.7 91 96 A L E -CE 62 114C 0 -29,-2.5 -29,-1.9 -2,-0.4 2,-0.5 -0.994 5.6-168.5-129.5 125.4 21.9 4.8 -17.0 92 97 A R E -CE 61 113C 8 21,-2.4 21,-2.6 -2,-0.4 2,-0.3 -0.979 6.7-164.0-112.1 129.7 21.0 6.3 -13.6 93 98 A F E +CE 60 112C 0 -33,-3.1 -33,-1.7 -2,-0.5 2,-0.3 -0.764 20.2 156.1-103.6 155.5 23.6 8.1 -11.6 94 99 A S E -CE 59 111C 4 17,-1.0 17,-2.1 -2,-0.3 -35,-0.2 -0.983 40.6-115.4-165.8 162.7 23.1 8.9 -7.9 95 100 A T - 0 0 4 -37,-1.9 16,-0.1 -2,-0.3 15,-0.1 -0.298 29.9-136.4 -87.2-169.8 24.6 9.6 -4.5 96 101 A V S S+ 0 0 6 13,-0.3 -40,-2.2 -2,-0.1 -39,-0.5 0.750 81.6 33.1-116.0 -54.9 24.0 7.1 -1.7 97 102 A A S S+ 0 0 1 -42,-0.2 11,-0.0 12,-0.2 -40,-0.0 0.855 92.9 85.9 -84.1 -39.3 23.1 8.6 1.7 98 103 A G S S- 0 0 0 5,-0.1 -40,-0.6 1,-0.1 -41,-0.5 -0.212 72.1-118.0 -72.7 157.1 21.1 11.8 1.0 99 104 A E > - 0 0 43 -42,-0.2 3,-2.3 -43,-0.1 -1,-0.1 -0.169 46.0 -72.4 -85.2 176.4 17.4 11.9 0.5 100 105 A L T 3 S+ 0 0 75 1,-0.3 -41,-0.2 -42,-0.1 -2,-0.1 0.650 130.4 36.4 -41.9 -35.0 15.4 13.1 -2.6 101 106 A G T 3 S+ 0 0 67 -43,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.164 88.8 123.5-107.2 9.8 16.2 16.8 -2.2 102 107 A S S < S- 0 0 9 -3,-2.3 -4,-0.0 1,-0.1 4,-0.0 -0.427 71.5 -88.9 -75.3 149.7 19.7 16.6 -0.9 103 108 A P > - 0 0 24 0, 0.0 3,-0.9 0, 0.0 136,-0.2 -0.276 25.0-136.7 -60.4 141.6 22.6 18.4 -2.7 104 109 A D T 3 S+ 0 0 2 134,-2.6 135,-0.1 1,-0.2 134,-0.1 0.756 95.5 62.9 -64.7 -29.1 24.4 16.5 -5.4 105 110 A T T 3 + 0 0 0 125,-0.2 -1,-0.2 132,-0.2 129,-0.2 0.090 67.9 125.7 -98.8 26.9 27.9 17.6 -4.3 106 111 A W S < S- 0 0 38 -3,-0.9 2,-0.4 1,-0.1 383,-0.2 -0.445 75.4 -96.7 -67.7 151.4 28.0 16.0 -0.9 107 112 A R S S+ 0 0 22 381,-2.1 2,-0.3 -2,-0.1 78,-0.2 -0.612 77.6 113.4 -70.2 124.8 31.1 13.7 -0.3 108 113 A D S S- 0 0 7 76,-1.7 2,-0.2 -2,-0.4 381,-0.0 -0.978 70.1 -74.3-175.1 167.0 29.8 10.2 -1.0 109 114 A V - 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0 0 11 5,-2.8 4,-1.6 -2,-0.3 5,-0.1 -0.354 34.8-123.7 -64.2 144.0 20.5 10.1 14.4 152 157 A P T 4 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.792 102.2 34.0 -66.4 -30.1 17.2 8.7 15.7 153 158 A D T 4 S+ 0 0 141 343,-0.1 344,-0.1 3,-0.1 343,-0.0 0.912 128.1 28.1 -90.7 -51.9 16.4 11.6 18.0 154 159 A S T 4 S- 0 0 44 342,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.656 90.4-131.7 -89.6 -17.5 17.7 14.8 16.3 155 160 A G < + 0 0 32 -4,-1.6 2,-0.3 1,-0.2 -5,-0.0 0.752 61.1 131.9 73.1 20.6 17.4 13.7 12.7 156 161 A L - 0 0 55 340,-0.3 -5,-2.8 -5,-0.1 -1,-0.2 -0.814 62.5-115.2-106.8 147.9 20.9 14.9 11.9 157 162 A R B -M 150 0D 12 -2,-0.3 2,-0.4 -7,-0.2 334,-0.2 -0.483 37.9-161.0 -70.2 150.6 23.7 13.2 10.1 158 163 A D > - 0 0 0 -9,-0.5 4,-1.9 -11,-0.3 3,-0.2 -0.926 26.7-156.2-146.9 118.2 26.6 12.6 12.5 159 164 A A H > S+ 0 0 3 332,-2.4 4,-2.8 -2,-0.4 5,-0.3 0.813 96.9 62.5 -63.9 -27.8 30.3 11.9 11.8 160 165 A T H > S+ 0 0 0 331,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.952 105.6 45.4 -62.0 -46.2 30.6 10.2 15.2 161 166 A M H > S+ 0 0 34 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.909 113.2 51.6 -59.1 -43.0 28.1 7.6 14.2 162 167 A Q H X S+ 0 0 10 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.946 114.5 40.9 -61.2 -47.8 29.8 7.1 10.8 163 168 A W H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.815 109.4 59.2 -73.9 -30.7 33.3 6.6 12.4 164 169 A D H X S+ 0 0 57 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.951 111.6 42.3 -61.4 -45.6 31.9 4.4 15.2 165 170 A F H < S+ 0 0 28 -4,-2.1 4,-0.5 -5,-0.2 3,-0.2 0.957 116.6 46.8 -65.4 -49.4 30.6 2.1 12.5 166 171 A W H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 6,-0.4 0.929 112.2 48.1 -62.3 -43.8 33.7 2.2 10.3 167 172 A T H 3< S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.780 111.9 50.4 -69.7 -25.7 36.3 1.7 13.1 168 173 A N T 3< S+ 0 0 96 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.438 112.4 49.3 -89.0 1.8 34.3 -1.2 14.5 169 174 A N X + 0 0 26 -3,-1.3 3,-2.7 -4,-0.5 -1,-0.2 -0.663 68.6 178.5-135.0 73.3 34.2 -2.8 11.0 170 175 A P G > + 0 0 45 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.689 69.8 81.0 -60.8 -13.9 37.8 -2.7 9.8 171 176 A E G > S+ 0 0 18 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.730 81.8 71.0 -57.4 -20.1 36.9 -4.4 6.5 172 177 A S G <> + 0 0 0 -3,-2.7 4,-2.6 -6,-0.4 -1,-0.3 0.602 69.4 95.1 -71.0 -11.5 35.7 -0.9 5.5 173 178 A A H <> S+ 0 0 0 -3,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.848 78.3 52.8 -57.6 -41.6 39.3 0.5 5.3 174 179 A H H <> S+ 0 0 15 -3,-0.5 4,-1.8 247,-0.4 -1,-0.2 0.964 116.8 37.9 -59.9 -51.2 39.8 0.0 1.6 175 180 A Q H > S+ 0 0 1 -42,-0.4 4,-2.7 -4,-0.3 -1,-0.2 0.853 111.9 56.8 -72.7 -32.0 36.7 1.8 0.6 176 181 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.910 107.8 51.2 -62.7 -39.7 36.9 4.5 3.3 177 182 A T H X S+ 0 0 0 -4,-2.3 4,-1.0 -5,-0.3 -2,-0.2 0.936 111.2 46.6 -59.0 -46.8 40.3 5.4 1.9 178 183 A Y H < S+ 0 0 25 -4,-1.8 3,-0.5 1,-0.2 5,-0.3 0.922 113.1 49.3 -63.4 -42.7 38.9 5.6 -1.6 179 184 A L H < S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.851 111.8 47.8 -63.6 -36.5 36.0 7.8 -0.4 180 185 A M H < S+ 0 0 9 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.610 104.1 77.8 -84.7 -9.5 38.2 10.2 1.5 181 186 A G S >< S- 0 0 4 -4,-1.0 3,-1.6 -3,-0.5 4,-0.2 0.043 109.9 -69.6 -81.8-168.1 40.6 10.5 -1.4 182 187 A P G > S+ 0 0 34 0, 0.0 3,-1.3 0, 0.0 43,-0.3 0.838 125.1 63.1 -56.4 -38.7 40.1 12.7 -4.5 183 188 A R G 3 S+ 0 0 83 -5,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.488 76.8 86.5 -76.8 0.0 37.3 10.5 -6.0 184 189 A G G < S+ 0 0 1 -3,-1.6 -76,-1.7 -6,-0.3 -1,-0.3 0.651 95.8 42.3 -67.4 -14.7 34.9 11.2 -3.1 185 190 A L S < S- 0 0 1 -3,-1.3 40,-2.8 -78,-0.2 -1,-0.2 -0.638 77.4-164.7-134.6 76.8 33.8 14.4 -5.0 186 191 A P B -N 224 0E 1 0, 0.0 38,-0.3 0, 0.0 3,-0.1 -0.352 18.6-140.5 -59.9 141.8 33.3 13.9 -8.7 187 192 A R S S- 0 0 103 36,-2.8 2,-0.3 4,-0.4 37,-0.2 0.924 83.7 -12.2 -66.6 -47.8 33.1 17.2 -10.6 188 193 A T > - 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0 0 0 77,-0.5 129,-0.3 14,-0.1 2,-0.2 -0.692 40.3-168.8 -74.0 131.1 33.2 -10.6 -9.6 200 205 A Y E -I 212 0C 4 12,-2.5 12,-3.0 -2,-0.4 2,-0.5 -0.723 20.5-113.3-115.4 165.6 30.5 -11.9 -11.9 201 206 A L E -IJ 211 324C 0 123,-2.0 123,-2.9 -2,-0.2 2,-0.4 -0.899 23.2-165.8-100.9 132.4 30.5 -15.2 -13.8 202 207 A W E -IJ 210 323C 0 8,-3.0 8,-2.4 -2,-0.5 2,-0.4 -0.963 5.2-167.0-113.9 138.4 30.7 -15.4 -17.7 203 208 A V E -I 209 0C 0 119,-2.0 -126,-2.3 -2,-0.4 -125,-0.3 -0.985 8.0-149.4-127.9 127.7 29.8 -18.6 -19.4 204 209 A N > - 0 0 1 4,-2.3 3,-1.7 -2,-0.4 -127,-0.2 -0.283 37.0 -89.5 -91.7 179.5 30.7 -19.3 -23.1 205 210 A A T 3 S+ 0 0 72 -132,-0.4 -131,-0.1 1,-0.3 -1,-0.1 0.764 127.1 51.6 -64.0 -25.4 28.9 -21.4 -25.7 206 211 A Q T 3 S- 0 0 145 -132,-0.1 -1,-0.3 2,-0.1 -132,-0.0 0.420 120.6-105.9 -87.9 -1.4 30.9 -24.5 -24.7 207 212 A G S < S+ 0 0 40 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.468 70.0 147.3 90.4 3.7 30.1 -24.1 -21.0 208 213 A E - 0 0 105 -134,-0.1 -4,-2.3 1,-0.1 2,-0.3 -0.513 36.3-142.8 -75.4 141.3 33.5 -22.8 -20.0 209 214 A K E +I 203 0C 42 -6,-0.2 57,-1.4 -2,-0.2 2,-0.4 -0.816 21.1 179.3-113.7 140.7 33.5 -20.3 -17.1 210 215 A H E -IK 202 265C 25 -8,-2.4 -8,-3.0 -2,-0.3 2,-0.4 -0.997 26.7-130.3-132.7 144.7 35.5 -17.2 -16.3 211 216 A W E -IK 201 264C 3 53,-2.8 53,-3.2 -2,-0.4 2,-0.4 -0.764 36.8-163.8 -87.2 134.4 35.2 -14.9 -13.3 212 217 A V E -IK 200 263C 1 -12,-3.0 -12,-2.5 -2,-0.4 2,-0.4 -0.926 22.7-159.4-128.7 147.2 35.0 -11.3 -14.6 213 218 A K E - K 0 262C 12 49,-1.7 49,-1.7 -2,-0.4 2,-0.4 -0.971 20.1-141.7-115.1 140.1 35.4 -7.7 -13.3 214 219 A Y E - K 0 261C 3 -16,-0.4 -18,-2.0 -2,-0.4 -17,-0.6 -0.875 16.9-176.8-104.6 135.4 33.8 -4.8 -15.2 215 220 A H E -HK 195 260C 12 45,-2.8 45,-2.8 -2,-0.4 2,-0.7 -0.985 10.0-164.7-133.1 121.5 35.5 -1.4 -15.6 216 221 A F E -HK 194 259C 0 -22,-3.4 -22,-2.3 -2,-0.4 2,-0.6 -0.902 13.3-162.2-107.9 107.7 33.9 1.6 -17.3 217 222 A I E - K 0 258C 39 41,-2.8 41,-2.6 -2,-0.7 2,-0.1 -0.789 18.6-124.3 -99.5 117.4 36.6 4.1 -18.0 218 223 A S E > - K 0 257C 9 -2,-0.6 3,-1.0 39,-0.2 39,-0.3 -0.371 7.2-153.5 -61.2 130.5 35.4 7.6 -18.8 219 224 A Q T 3 S+ 0 0 99 37,-2.7 -1,-0.2 1,-0.2 38,-0.1 0.568 98.5 60.1 -75.5 -11.6 36.5 9.2 -22.1 220 225 A Q T 3 S- 0 0 49 36,-0.5 -1,-0.2 -30,-0.5 -29,-0.1 0.409 111.5-123.8 -90.9 -2.3 36.1 12.6 -20.4 221 226 A G < - 0 0 28 -3,-1.0 2,-0.6 -31,-0.1 -1,-0.3 -0.152 29.9 -67.6 81.9 173.5 38.7 11.7 -17.7 222 227 A V + 0 0 46 -3,-0.1 2,-0.4 -30,-0.1 -30,-0.2 -0.945 57.6 170.5-103.2 117.5 38.4 11.6 -13.9 223 228 A H - 0 0 76 -32,-2.0 -36,-2.8 -2,-0.6 -35,-0.5 -0.998 7.9-171.9-134.5 138.3 38.0 15.1 -12.5 224 229 A N B -N 186 0E 51 -2,-0.4 2,-0.3 -38,-0.3 -41,-0.1 -0.765 17.3-126.7-131.0 163.1 37.1 16.0 -8.9 225 230 A L - 0 0 20 -40,-2.8 -40,-0.1 -2,-0.3 2,-0.1 -0.774 26.5-115.9-104.2 154.5 36.2 18.9 -6.7 226 231 A S > - 0 0 53 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.452 33.6-106.8 -77.1 163.5 37.8 20.1 -3.4 227 232 A N H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.928 121.8 49.8 -54.7 -46.0 35.8 20.0 -0.2 228 233 A D H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 111.1 47.5 -64.0 -42.3 35.5 23.8 -0.3 229 234 A E H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 112.2 49.6 -64.4 -45.2 34.3 23.9 -3.9 230 235 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.866 109.3 51.8 -64.8 -35.6 31.7 21.2 -3.3 231 236 A T H X S+ 0 0 66 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.939 109.8 50.1 -63.2 -44.0 30.4 22.9 -0.2 232 237 A K H >X S+ 0 0 124 -4,-2.1 4,-2.2 1,-0.2 3,-0.5 0.936 111.6 47.6 -60.8 -46.2 30.0 26.1 -2.2 233 238 A I H 3X S+ 0 0 27 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.864 102.5 63.4 -65.3 -36.4 28.1 24.4 -5.0 234 239 A A H 3< S+ 0 0 17 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.862 110.7 39.4 -56.8 -36.7 25.8 22.6 -2.6 235 240 A G H << S+ 0 0 74 -4,-1.3 3,-0.3 -3,-0.5 -2,-0.2 0.883 120.6 42.8 -77.7 -42.0 24.5 26.0 -1.5 236 241 A E H < S+ 0 0 129 -4,-2.2 -2,-0.2 1,-0.3 2,-0.2 0.786 133.9 6.8 -75.2 -33.7 24.4 27.6 -5.0 237 242 A N >< - 0 0 42 -4,-3.0 3,-1.6 -5,-0.2 -1,-0.3 -0.650 55.6-175.5-158.3 91.4 23.0 24.6 -7.0 238 243 A A T 3 S+ 0 0 32 -3,-0.3 -134,-2.6 1,-0.3 3,-0.2 0.648 91.1 49.2 -64.4 -15.1 21.8 21.6 -5.1 239 244 A D T 3> S+ 0 0 61 -136,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.042 70.4 131.9-115.2 32.4 21.1 19.9 -8.5 240 245 A F H <> S+ 0 0 60 -3,-1.6 4,-2.4 1,-0.2 -1,-0.1 0.847 74.7 43.1 -54.7 -45.7 24.5 20.6 -10.2 241 246 A H H > S+ 0 0 0 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.909 114.4 49.9 -71.3 -41.4 25.1 17.1 -11.4 242 247 A R H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 114.0 46.1 -59.3 -44.7 21.6 16.6 -12.6 243 248 A Q H X S+ 0 0 84 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.917 110.2 53.9 -64.9 -47.1 21.7 19.9 -14.5 244 249 A D H X S+ 0 0 26 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.918 109.3 47.1 -54.5 -43.9 25.1 19.2 -16.0 245 250 A L H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.942 115.0 45.2 -67.2 -46.8 24.0 15.8 -17.4 246 251 A F H X S+ 0 0 105 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.937 115.9 45.6 -63.3 -45.6 20.8 17.2 -19.0 247 252 A E H X S+ 0 0 87 -4,-2.9 4,-2.0 2,-0.2 6,-0.2 0.896 110.8 53.7 -65.1 -42.6 22.4 20.3 -20.4 248 253 A S H <>S+ 0 0 8 -4,-2.5 5,-2.5 -5,-0.3 4,-0.3 0.944 112.9 42.4 -59.2 -47.6 25.4 18.4 -21.8 249 254 A I H ><5S+ 0 0 11 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.910 111.8 54.7 -67.4 -40.0 23.2 16.0 -23.7 250 255 A A H 3<5S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 108.1 50.1 -62.0 -33.6 20.8 18.7 -24.9 251 256 A K T 3<5S- 0 0 152 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.423 123.1-105.8 -82.6 -3.5 23.8 20.6 -26.3 252 257 A G T < 5S+ 0 0 43 -3,-1.5 2,-1.2 -4,-0.3 -3,-0.2 0.565 77.0 135.7 89.4 12.7 25.0 17.5 -28.2 253 258 A D < - 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