==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-DEC-11 3VLK . COMPND 2 MOLECULE: CATALASE-PEROXIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOARCULA MARISMORTUI; . AUTHOR T.SATO,W.HIGUCHI,K.YOSHIMATSU,T.FUJIWARA . 1428 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 887 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 53 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 228 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 450 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.0 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 5 2 0 5 5 0 2 4 7 5 2 3 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 13 6 0 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 6 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 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 18 A K 0 0 74 0, 0.0 883,-0.0 0, 0.0 1291,-0.0 0.000 360.0 360.0 360.0 114.3 43.3 13.4 6.9 2 19 A R - 0 0 141 727,-0.1 2,-0.1 885,-0.0 880,-0.1 -0.986 360.0-106.6-124.1 128.0 41.4 15.3 4.1 3 20 A P - 0 0 22 0, 0.0 2,-1.0 0, 0.0 881,-0.1 -0.304 35.8-123.6 -53.6 119.7 41.7 19.0 3.5 4 21 A K - 0 0 46 882,-0.2 5,-0.1 879,-0.1 881,-0.1 -0.571 31.2-130.5 -72.0 103.6 38.4 20.6 4.7 5 22 A S >> - 0 0 19 -2,-1.0 4,-1.1 1,-0.1 3,-1.0 -0.008 13.8-117.7 -50.7 156.7 37.2 22.4 1.6 6 23 A N H 3> S+ 0 0 14 1,-0.3 4,-2.4 2,-0.2 7,-0.2 0.693 113.5 73.1 -70.3 -16.8 36.1 26.1 1.9 7 24 A Q H 34 S+ 0 0 36 2,-0.2 -1,-0.3 1,-0.2 6,-0.2 0.848 95.3 50.8 -63.8 -35.1 32.7 24.7 0.8 8 25 A D H <4 S+ 0 0 58 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.961 112.4 42.5 -68.0 -53.8 32.4 23.2 4.3 9 26 A W H < S+ 0 0 40 -4,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.863 129.5 28.2 -62.7 -37.0 33.2 26.3 6.2 10 27 A W >< - 0 0 9 -4,-2.4 3,-2.0 -5,-0.1 -1,-0.3 -0.806 62.5-176.4-132.7 93.6 31.1 28.5 3.9 11 28 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.724 85.3 60.6 -57.8 -25.0 28.1 26.7 2.2 12 29 A S T 3 S+ 0 0 78 965,-0.1 2,-0.1 2,-0.0 -5,-0.1 0.431 77.9 123.2 -85.2 0.7 27.3 29.9 0.3 13 30 A K < - 0 0 30 -3,-2.0 965,-0.0 -7,-0.2 964,-0.0 -0.399 69.5-106.3 -68.7 138.6 30.7 30.0 -1.4 14 31 A L - 0 0 21 -2,-0.1 2,-1.2 1,-0.1 3,-0.2 -0.290 23.7-127.0 -63.6 143.7 30.7 30.0 -5.3 15 32 A N > + 0 0 32 1,-0.2 3,-1.1 2,-0.1 4,-0.3 -0.595 42.7 157.9 -96.9 75.9 31.7 26.8 -7.0 16 33 A L T >> + 0 0 7 -2,-1.2 4,-1.8 1,-0.2 3,-1.1 0.587 57.0 84.8 -73.5 -11.2 34.4 28.0 -9.4 17 34 A E H 3> S+ 0 0 35 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.811 82.1 62.6 -61.9 -27.8 35.9 24.5 -9.6 18 35 A I H <4 S+ 0 0 5 -3,-1.1 -1,-0.3 1,-0.2 4,-0.2 0.834 105.9 44.7 -67.6 -28.1 33.4 23.8 -12.3 19 36 A L H X> S+ 0 0 0 -3,-1.1 3,-1.3 -4,-0.3 4,-0.6 0.807 105.9 59.2 -83.3 -31.0 35.0 26.5 -14.4 20 37 A D H >X S+ 0 0 6 -4,-1.8 3,-0.9 1,-0.3 4,-0.6 0.813 95.1 66.9 -65.4 -24.9 38.5 25.3 -13.6 21 38 A Q H 3< S+ 0 0 25 -4,-1.3 -1,-0.3 1,-0.2 3,-0.3 0.768 98.2 52.9 -64.6 -23.2 37.4 22.1 -15.2 22 39 A N H <4 S+ 0 0 36 -3,-1.3 -1,-0.2 570,-0.2 -2,-0.2 0.633 87.3 80.3 -86.3 -15.5 37.2 24.0 -18.5 23 40 A A H << S- 0 0 47 -3,-0.9 2,-0.2 -4,-0.6 -1,-0.2 0.888 113.1 -17.5 -57.6 -40.5 40.8 25.3 -18.2 24 41 A R S < S- 0 0 38 -4,-0.6 2,-0.5 -3,-0.3 715,-0.1 -0.726 76.8 -86.8-146.5-165.4 42.1 22.0 -19.5 25 42 A D - 0 0 113 -2,-0.2 -3,-0.1 713,-0.2 2,-0.1 -0.967 33.4-142.9-121.3 115.8 41.2 18.3 -20.1 26 43 A V + 0 0 25 -2,-0.5 3,-0.1 -5,-0.2 137,-0.1 -0.410 61.4 66.9 -70.3 152.6 41.7 15.9 -17.2 27 44 A G S S- 0 0 20 1,-0.1 -2,-0.1 135,-0.1 1283,-0.1 -0.298 92.7 -85.7 116.7 157.4 42.8 12.5 -18.3 28 45 A P S S+ 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.489 92.1 107.4 -77.6 -4.0 46.0 10.9 -19.8 29 46 A V S S- 0 0 26 -3,-0.1 -4,-0.1 1,-0.1 1281,-0.1 -0.489 77.5-102.3 -79.5 146.7 44.8 11.8 -23.3 30 47 A E > - 0 0 117 -2,-0.2 3,-0.5 1,-0.1 -1,-0.1 0.015 23.5-120.3 -57.7 169.1 46.3 14.5 -25.4 31 48 A D T 3 S+ 0 0 137 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 0.787 112.6 51.5 -84.0 -30.1 44.6 17.9 -25.8 32 49 A D T 3 S+ 0 0 122 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.076 79.3 142.6 -93.5 22.6 44.4 17.6 -29.6 33 50 A F < - 0 0 51 -3,-0.5 2,-0.8 1,-0.1 3,-0.1 -0.518 36.5-160.9 -70.5 122.2 42.8 14.2 -29.3 34 51 A D > - 0 0 55 -2,-0.4 4,-1.6 1,-0.2 3,-0.3 -0.849 9.8-177.6-104.7 96.5 40.1 13.8 -32.0 35 52 A Y H > S+ 0 0 5 -2,-0.8 4,-3.2 1,-0.2 5,-0.3 0.907 82.3 61.0 -60.3 -39.6 37.9 10.9 -30.8 36 53 A A H > S+ 0 0 31 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 103.7 49.5 -52.9 -44.4 35.9 11.2 -34.0 37 54 A E H 4 S+ 0 0 130 -3,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.895 113.6 46.6 -62.9 -39.9 39.0 10.4 -36.1 38 55 A E H >X S+ 0 0 27 -4,-1.6 3,-1.5 1,-0.2 4,-0.6 0.929 109.4 51.5 -69.3 -47.4 39.7 7.4 -33.9 39 56 A F H >< S+ 0 0 5 -4,-3.2 3,-1.4 1,-0.3 -1,-0.2 0.863 102.3 62.0 -58.4 -36.0 36.2 5.9 -33.9 40 57 A Q T 3< S+ 0 0 116 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.739 99.8 55.4 -63.0 -21.1 36.2 6.1 -37.7 41 58 A K T <4 S+ 0 0 134 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.644 89.4 105.4 -84.3 -15.7 39.1 3.7 -37.6 42 59 A L S << S- 0 0 17 -3,-1.4 2,-1.2 -4,-0.6 3,-0.1 -0.326 72.4-134.3 -68.2 144.2 37.0 1.3 -35.6 43 60 A D >> - 0 0 96 1,-0.2 4,-1.4 -2,-0.1 3,-1.0 -0.783 25.3-173.3 -97.3 88.0 35.5 -1.9 -37.1 44 61 A L H 3> S+ 0 0 7 -2,-1.2 4,-2.4 1,-0.3 3,-0.5 0.887 78.3 55.9 -50.8 -47.4 32.1 -1.5 -35.6 45 62 A E H 3> S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.819 104.9 53.2 -59.1 -31.4 30.8 -4.8 -36.9 46 63 A A H <> S+ 0 0 32 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.848 108.2 50.0 -72.9 -33.4 33.7 -6.7 -35.1 47 64 A V H X S+ 0 0 0 -4,-1.4 4,-2.3 -3,-0.5 -2,-0.2 0.913 110.8 50.0 -70.0 -41.5 32.8 -5.0 -31.8 48 65 A K H X S+ 0 0 20 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.878 108.5 53.1 -64.2 -35.7 29.1 -6.0 -32.3 49 66 A S H X S+ 0 0 72 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.916 110.5 46.3 -65.3 -41.1 30.3 -9.6 -33.0 50 67 A D H X S+ 0 0 26 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.877 112.1 52.0 -68.3 -36.6 32.3 -9.7 -29.7 51 68 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.884 106.7 52.4 -66.5 -39.5 29.3 -8.1 -27.8 52 69 A E H X S+ 0 0 110 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.883 109.6 49.5 -65.8 -34.5 26.9 -10.8 -29.2 53 70 A E H >< S+ 0 0 131 -4,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.893 108.1 54.6 -68.5 -39.4 29.3 -13.5 -28.0 54 71 A L H >< S+ 0 0 21 -4,-2.0 3,-2.3 1,-0.2 15,-0.2 0.852 90.6 75.5 -61.7 -37.1 29.5 -11.9 -24.6 55 72 A M H 3< S+ 0 0 2 -4,-1.8 14,-2.8 1,-0.3 15,-0.3 0.832 109.3 28.9 -45.9 -37.7 25.7 -11.9 -24.2 56 73 A T T << S+ 0 0 91 -3,-0.9 2,-1.0 -4,-0.6 -1,-0.3 0.184 92.7 101.7-113.7 20.4 25.8 -15.6 -23.5 57 74 A S < - 0 0 38 -3,-2.3 2,-0.1 -4,-0.1 -1,-0.1 -0.733 62.3-158.0-103.9 83.4 29.3 -15.9 -21.9 58 75 A S - 0 0 63 -2,-1.0 2,-0.4 9,-0.1 -2,-0.1 -0.392 1.7-148.9 -65.2 131.7 28.3 -16.1 -18.2 59 76 A Q B > -A 62 0A 71 3,-0.5 3,-2.2 -2,-0.1 -1,-0.1 -0.884 14.4-132.4-104.6 132.4 31.0 -15.1 -15.7 60 77 A D T 3 S+ 0 0 82 -2,-0.4 221,-0.2 1,-0.3 -1,-0.1 0.696 102.8 63.1 -56.3 -24.9 31.0 -16.9 -12.3 61 78 A W T 3 S+ 0 0 20 1,-0.3 -1,-0.3 219,-0.1 -3,-0.0 0.571 126.1 12.4 -78.3 -7.9 31.4 -13.6 -10.3 62 79 A W B < S-A 59 0A 20 -3,-2.2 -3,-0.5 52,-0.0 -1,-0.3 -0.356 87.8-146.7-166.7 74.9 28.0 -12.5 -11.7 63 80 A P - 0 0 27 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.173 24.3-110.6 -50.8 126.9 26.1 -15.3 -13.3 64 81 A A > - 0 0 4 1,-0.1 3,-1.5 3,-0.1 2,-0.2 -0.388 29.9-117.7 -64.4 131.3 23.9 -14.3 -16.3 65 82 A D G > S- 0 0 26 1,-0.3 3,-2.7 3,-0.2 276,-0.2 -0.482 97.8 -1.4 -65.6 138.5 20.1 -14.5 -15.6 66 83 A Y G 3 S- 0 0 43 274,-2.6 -1,-0.3 1,-0.3 275,-0.1 0.723 126.4 -72.8 49.9 23.9 18.5 -17.1 -18.0 67 84 A G G < S+ 0 0 42 -3,-1.5 2,-0.3 273,-0.4 -1,-0.3 0.717 116.2 97.6 66.0 22.8 22.0 -17.6 -19.5 68 85 A H < - 0 0 23 -3,-2.7 4,-0.3 1,-0.1 -3,-0.2 -0.926 53.5-166.2-148.9 118.2 21.8 -14.2 -21.2 69 86 A Y >> + 0 0 4 -14,-2.8 4,-2.2 -2,-0.3 3,-0.6 0.567 65.5 103.5 -76.7 -10.1 23.2 -10.8 -20.1 70 87 A G H 3> S+ 0 0 0 -15,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.868 78.1 48.0 -39.8 -58.8 21.1 -8.9 -22.6 71 88 A P H 3> S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.892 110.7 52.5 -54.5 -41.2 18.5 -7.5 -20.1 72 89 A L H <> S+ 0 0 29 -3,-0.6 4,-2.4 -4,-0.3 -2,-0.2 0.926 109.2 49.5 -60.6 -45.2 21.2 -6.4 -17.7 73 90 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.876 107.2 55.0 -62.7 -36.8 23.0 -4.5 -20.5 74 91 A I H X S+ 0 0 9 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.926 109.6 46.6 -61.4 -46.3 19.7 -2.8 -21.6 75 92 A R H X S+ 0 0 56 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.921 111.3 53.7 -60.5 -43.3 19.2 -1.5 -18.0 76 93 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.926 113.0 41.8 -57.3 -48.0 22.9 -0.4 -18.0 77 94 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.3 0.903 113.8 51.9 -66.0 -44.1 22.4 1.6 -21.2 78 95 A W H X S+ 0 0 53 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.952 112.0 46.3 -58.3 -48.7 19.0 3.0 -20.1 79 96 A H H < S+ 0 0 10 -4,-3.0 4,-0.4 2,-0.2 -1,-0.2 0.906 107.8 57.2 -62.1 -41.4 20.5 4.2 -16.8 80 97 A S H < S+ 0 0 3 -4,-2.2 3,-0.5 -5,-0.2 12,-0.2 0.923 119.8 30.0 -54.8 -46.4 23.6 5.7 -18.6 81 98 A A H >< S+ 0 0 3 -4,-2.2 3,-1.5 11,-0.2 -1,-0.2 0.737 105.4 79.8 -85.8 -22.0 21.3 7.9 -20.7 82 99 A G T 3< S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.412 77.5 67.5 -68.1 -2.1 18.5 8.2 -18.1 83 100 A T T 3 S+ 0 0 7 -3,-0.5 -1,-0.3 -4,-0.4 110,-0.1 0.498 73.3 124.2 -93.8 -5.1 20.1 10.9 -15.9 84 101 A Y < - 0 0 11 -3,-1.5 2,-0.4 7,-0.2 7,-0.2 -0.234 43.9-162.3 -57.9 139.0 19.8 13.5 -18.7 85 102 A R >> - 0 0 18 5,-2.2 4,-1.9 1,-0.1 3,-0.5 -0.992 17.9-150.7-125.7 130.8 17.9 16.7 -17.9 86 103 A T T 34 S+ 0 0 33 140,-2.5 141,-0.1 -2,-0.4 -1,-0.1 0.804 89.9 75.3 -68.4 -27.7 16.4 19.1 -20.6 87 104 A A T 34 S- 0 0 48 139,-0.4 -1,-0.2 104,-0.4 105,-0.1 0.869 124.0 -1.8 -51.8 -45.0 16.9 22.1 -18.2 88 105 A D T <4 S- 0 0 12 -3,-0.5 372,-0.2 2,-0.2 -1,-0.2 0.401 92.0-117.7-129.3 -0.4 20.6 22.2 -18.7 89 106 A G S < S+ 0 0 0 -4,-1.9 -3,-0.1 1,-0.3 2,-0.1 0.462 71.4 135.0 75.8 -0.5 21.4 19.3 -21.0 90 107 A R + 0 0 2 -5,-0.2 -5,-2.2 -6,-0.1 -1,-0.3 -0.333 41.3 38.4 -80.4 165.3 23.5 17.8 -18.3 91 108 A G S S+ 0 0 19 -7,-0.2 -7,-0.2 1,-0.1 3,-0.2 -0.351 73.4 107.2 84.5-177.3 23.5 14.2 -17.2 92 109 A G S S- 0 0 8 -12,-0.2 5,-0.4 -13,-0.2 3,-0.3 -0.367 79.9 -71.1 103.0 176.6 23.1 11.6 -20.0 93 110 A A S > S+ 0 0 0 1,-0.2 3,-1.5 -12,-0.2 -1,-0.1 0.598 94.9 98.0 -91.0 -14.5 25.3 9.0 -21.7 94 111 A A T 3 S+ 0 0 23 1,-0.3 -1,-0.2 -3,-0.2 39,-0.1 0.717 97.2 28.6 -49.5 -31.0 27.6 11.2 -23.8 95 112 A G T 3 S- 0 0 10 -3,-0.3 66,-2.1 65,-0.1 -1,-0.3 0.385 99.5-127.1-112.6 3.2 30.5 11.2 -21.3 96 113 A G X + 0 0 0 -3,-1.5 3,-1.7 64,-0.2 -3,-0.1 0.824 49.9 159.9 55.8 33.8 29.8 7.8 -19.8 97 114 A R G > + 0 0 76 -5,-0.4 3,-1.6 1,-0.3 7,-0.3 0.453 49.7 91.5 -69.6 2.9 29.9 9.4 -16.4 98 115 A Q G 3 S+ 0 0 6 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.758 78.8 66.9 -64.6 -22.1 27.9 6.5 -14.9 99 116 A R G < S+ 0 0 23 -3,-1.7 2,-0.3 64,-0.1 -1,-0.3 0.603 97.2 62.0 -74.4 -13.4 31.5 5.2 -14.2 100 117 A F S <> S- 0 0 1 -3,-1.6 4,-2.3 63,-0.1 3,-0.2 -0.773 90.8 -58.4-116.5 161.5 32.3 7.9 -11.7 101 118 A A T 4 S+ 0 0 1 -2,-0.3 63,-0.1 1,-0.3 620,-0.1 -0.395 108.7 22.9 -68.4 152.4 30.9 9.0 -8.3 102 119 A P T >4 S+ 0 0 6 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.979 128.2 43.9 -87.2 -14.5 28.3 9.9 -7.4 103 120 A I G >4 S+ 0 0 13 1,-0.3 3,-1.3 -3,-0.2 -2,-0.2 0.849 106.9 61.0 -55.4 -38.1 26.4 8.2 -10.2 104 121 A N G 3< S+ 0 0 7 -4,-2.3 -1,-0.3 -7,-0.3 -3,-0.2 0.673 111.5 41.8 -65.4 -13.3 28.4 5.0 -10.0 105 122 A S G < S+ 0 0 4 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.312 80.7 124.8-116.8 5.2 27.2 4.6 -6.4 106 123 A W X - 0 0 8 -3,-1.3 3,-1.4 -4,-0.4 92,-0.1 -0.376 69.6-120.4 -64.3 148.2 23.5 5.6 -6.6 107 124 A P G > S+ 0 0 27 0, 0.0 3,-1.5 0, 0.0 92,-0.1 0.860 113.8 57.8 -57.3 -38.3 21.1 3.0 -5.2 108 125 A D G 3 S+ 0 0 33 90,-1.6 91,-0.1 1,-0.3 -29,-0.1 0.663 102.4 54.5 -69.7 -16.1 19.4 2.8 -8.6 109 126 A N G X S+ 0 0 0 -3,-1.4 3,-2.0 89,-0.2 4,-0.4 0.171 78.2 147.6-103.5 18.7 22.7 1.9 -10.3 110 127 A A T < S+ 0 0 2 -3,-1.5 178,-0.1 1,-0.3 -5,-0.1 -0.293 72.3 3.6 -58.4 132.2 23.3 -1.1 -7.9 111 128 A N T >> S+ 0 0 2 1,-0.1 4,-1.1 176,-0.1 3,-0.8 0.436 94.6 109.8 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3,-0.3 -0.433 80.8 -71.1 102.7 179.3 53.8 30.8 3.9 808 110 B A S > S+ 0 0 0 1,-0.2 3,-1.0 -12,-0.1 -1,-0.1 0.518 95.8 100.3 -94.5 -8.1 54.0 34.0 1.9 809 111 B A T 3 S+ 0 0 24 1,-0.3 -1,-0.2 -3,-0.2 39,-0.1 0.771 98.2 27.7 -51.3 -31.2 55.5 32.7 -1.4 810 112 B G T 3 S- 0 0 13 -3,-0.3 66,-1.9 65,-0.1 -1,-0.3 0.456 98.9-128.5-111.3 -1.2 52.0 32.7 -3.0 811 113 B G X + 0 0 0 -3,-1.0 3,-1.7 64,-0.2 -3,-0.1 0.823 50.1 157.9 58.7 32.1 50.3 35.4 -1.1 812 114 B R G > + 0 0 72 -5,-0.4 3,-1.8 1,-0.3 7,-0.3 0.479 48.3 92.6 -70.7 2.9 47.5 33.0 -0.4 813 115 B Q G 3 S+ 0 0 5 1,-0.3 -1,-0.3 5,-0.1 -2,-0.1 0.732 77.6 67.5 -64.3 -19.5 46.5 35.0 2.6 814 116 B R G < S+ 0 0 23 -3,-1.7 2,-0.3 64,-0.1 -1,-0.3 0.650 97.0 62.5 -74.5 -16.0 44.2 36.7 0.1 815 117 B F S <> S- 0 0 1 -3,-1.8 4,-2.3 63,-0.1 3,-0.4 -0.761 91.0 -56.5-114.2 158.9 42.1 33.6 -0.4 816 118 B A T 4 S+ 0 0 0 1,-0.3 -810,-0.1 -2,-0.3 -1,-0.1 -0.344 108.6 21.4 -65.1 151.3 39.8 31.5 1.8 817 119 B P T >4 S+ 0 0 8 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.984 128.8 43.6 -87.4 -13.5 40.1 30.0 4.3 818 120 B I G >4 S+ 0 0 14 -3,-0.4 3,-1.6 1,-0.3 -2,-0.2 0.876 107.1 60.8 -55.9 -42.6 43.2 32.0 5.5 819 121 B N G 3< S+ 0 0 9 -4,-2.3 -1,-0.3 -7,-0.3 -3,-0.2 0.700 113.0 39.8 -61.0 -15.9 41.7 35.4 4.4 820 122 B S G < S+ 0 0 2 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.320 81.9 127.7-117.2 7.9 38.9 34.7 6.9 821 123 B W X - 0 0 7 -3,-1.6 3,-1.6 -4,-0.3 92,-0.1 -0.377 67.4-122.7 -62.7 144.1 40.8 33.1 9.8 822 124 B P G > S+ 0 0 26 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.876 113.0 57.9 -55.5 -40.7 40.0 34.9 13.1 823 125 B D G 3 S+ 0 0 35 90,-1.7 91,-0.1 1,-0.3 -29,-0.1 0.677 101.8 55.9 -66.6 -18.3 43.7 35.6 13.6 824 126 B N G X S+ 0 0 1 -3,-1.6 3,-1.8 89,-0.2 4,-0.4 0.135 78.0 148.4-100.7 21.2 43.7 37.5 10.2 825 127 B A T < S+ 0 0 2 -3,-1.6 178,-0.1 1,-0.3 -5,-0.1 -0.296 71.4 3.7 -59.6 136.3 40.9 39.9 11.3 826 128 B N T >> S+ 0 0 3 1,-0.1 4,-1.3 176,-0.1 3,-0.8 0.358 94.8 110.5 68.0 -1.8 41.2 43.3 9.7 827 129 B L H <> + 0 0 0 -3,-1.8 4,-2.4 1,-0.2 5,-0.2 0.660 68.9 70.2 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