==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-FEB-97 1AEN . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.A.MUSAH,G.M.JENSEN,S.W.BUNTE,R.ROSENFELD,D.E.MCREE, . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 0 0 0 3 1 0 0 2 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A L 0 0 128 0, 0.0 2,-0.4 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 136.1 12.3 78.1 113.7 2 5 A V - 0 0 107 2,-0.0 2,-0.5 269,-0.0 269,-0.1 -0.943 360.0-164.8-113.5 143.9 13.8 77.3 110.3 3 6 A H - 0 0 27 -2,-0.4 269,-2.8 267,-0.2 2,-0.4 -0.926 10.1-159.4-128.3 105.3 14.8 73.6 109.7 4 7 A V B -a 272 0A 73 -2,-0.5 2,-0.4 267,-0.2 269,-0.2 -0.722 20.5-117.0 -91.1 134.5 17.0 73.3 106.8 5 8 A A - 0 0 13 267,-2.7 2,-0.5 -2,-0.4 122,-0.2 -0.592 30.8-171.5 -67.3 126.5 17.3 70.0 105.0 6 9 A S - 0 0 73 120,-2.2 120,-0.2 -2,-0.4 3,-0.1 -0.913 21.1-130.0-118.8 103.0 20.9 68.5 105.2 7 10 A V - 0 0 52 -2,-0.5 3,-0.1 118,-0.2 2,-0.1 -0.199 37.4 -98.3 -47.5 133.5 21.7 65.3 103.1 8 11 A E > - 0 0 20 1,-0.2 3,-2.5 2,-0.1 -1,-0.1 -0.393 61.3 -85.3 -56.1 124.8 23.4 62.6 105.2 9 12 A K T 3 S- 0 0 176 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 -0.068 104.0 -6.5 -50.3 110.3 27.0 63.1 104.4 10 13 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.427 96.2 135.3 93.6 0.7 28.0 61.3 101.3 11 14 A R < - 0 0 93 -3,-2.5 -1,-0.2 87,-0.1 2,-0.2 -0.469 28.1-178.0 -90.3 140.1 24.8 59.4 100.6 12 15 A S >> - 0 0 49 -2,-0.2 4,-1.5 1,-0.1 3,-1.2 -0.775 46.1 -76.3-122.7-175.3 23.1 59.0 97.3 13 16 A Y H 3> S+ 0 0 67 1,-0.3 4,-2.8 -2,-0.2 3,-0.4 0.898 125.2 54.4 -43.6 -56.9 19.9 57.5 95.8 14 17 A E H 3> S+ 0 0 112 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.776 103.7 55.6 -55.9 -30.7 21.3 53.9 95.9 15 18 A D H X> S+ 0 0 27 -3,-1.2 4,-1.3 2,-0.2 3,-0.7 0.972 111.8 43.3 -65.7 -45.4 22.1 54.2 99.7 16 19 A F H >X S+ 0 0 0 -4,-1.5 4,-2.6 -3,-0.4 3,-0.7 0.949 107.7 58.6 -65.1 -44.4 18.4 55.1 100.4 17 20 A Q H 3X S+ 0 0 13 -4,-2.8 4,-2.3 1,-0.3 -1,-0.3 0.763 103.4 55.4 -54.5 -24.7 17.1 52.4 98.0 18 21 A K H < S+ 0 0 136 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.926 116.0 44.0 -56.3 -43.4 7.6 40.3 103.6 29 32 A E H 3< S+ 0 0 130 -4,-1.9 2,-0.7 1,-0.2 3,-0.2 0.932 108.2 52.0 -75.8 -47.4 9.1 38.2 106.4 30 33 A D T >< + 0 0 29 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 -0.044 68.5 138.9 -89.8 45.6 7.2 39.4 109.5 31 34 A D T < + 0 0 92 -3,-0.7 -1,-0.2 -2,-0.7 -2,-0.1 0.447 53.9 72.1 -68.9 -2.9 3.8 38.7 107.8 32 35 A E T 3> + 0 0 84 -3,-0.2 4,-2.0 4,-0.1 -1,-0.3 0.666 67.1 121.9 -87.9 -20.9 2.1 37.2 110.9 33 36 A Y H <>>S+ 0 0 40 -3,-1.4 5,-2.8 2,-0.2 4,-1.2 -0.151 78.6 5.5 -52.6 138.9 1.8 40.4 113.0 34 37 A D H >45S- 0 0 42 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.975 140.2 -44.5 50.9 64.7 -1.7 41.4 114.2 35 38 A N H 345S- 0 0 148 1,-0.3 -2,-0.2 -3,-0.2 -1,-0.2 0.876 114.8 -50.0 47.3 46.4 -3.5 38.3 112.9 36 39 A Y H 3<5S+ 0 0 158 -4,-2.0 -1,-0.3 -6,-0.1 -2,-0.2 0.707 107.8 119.1 66.6 23.7 -1.7 38.4 109.5 37 40 A I T <<5 - 0 0 15 -3,-1.5 3,-0.2 -4,-1.2 -3,-0.2 0.890 66.2-146.4 -75.5 -34.0 -2.3 42.0 108.7 38 41 A G < - 0 0 10 -5,-2.8 4,-0.4 1,-0.1 -7,-0.1 -0.173 28.8 -73.4 87.0 168.2 1.5 42.5 108.7 39 42 A Y S > S+ 0 0 36 -12,-0.2 4,-1.9 -9,-0.2 5,-0.2 0.584 104.0 96.5 -82.8 -3.7 3.4 45.7 109.8 40 43 A G H > S+ 0 0 5 -3,-0.2 4,-2.2 1,-0.2 5,-0.2 0.925 84.8 46.9 -46.2 -58.6 2.5 47.9 106.8 41 44 A P H > S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.954 111.6 47.8 -52.3 -52.4 -0.5 49.6 108.5 42 45 A V H > S+ 0 0 19 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.885 110.5 55.4 -66.4 -22.8 1.2 50.5 111.8 43 46 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 66,-0.3 0.917 108.1 45.4 -75.8 -42.7 4.2 51.9 109.8 44 47 A V H X S+ 0 0 11 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.937 112.4 52.5 -69.6 -30.4 2.1 54.3 107.7 45 48 A R H X S+ 0 0 74 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.930 109.7 50.2 -64.9 -35.4 0.3 55.3 111.0 46 49 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 -5,-0.2 5,-0.3 0.975 108.2 51.9 -65.5 -46.2 3.9 56.0 112.5 47 50 A A H X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.868 114.0 43.5 -59.1 -34.9 4.9 58.1 109.5 48 51 A W H X S+ 0 0 47 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.925 112.1 52.3 -80.2 -42.2 1.7 60.3 109.9 49 52 A H H < S+ 0 0 15 -4,-2.7 4,-0.3 -5,-0.3 -2,-0.2 0.863 108.9 48.3 -63.6 -30.9 1.9 60.6 113.7 50 53 A I H < S+ 0 0 5 -4,-2.0 12,-0.2 -5,-0.2 3,-0.2 0.801 119.5 42.7 -76.1 -24.2 5.6 61.9 113.7 51 54 A S H >< S+ 0 0 0 -4,-0.9 3,-1.4 -5,-0.3 -2,-0.2 0.791 102.5 67.8 -84.9 -23.7 4.5 64.4 111.0 52 55 A G T 3< S+ 0 0 0 -4,-2.3 -1,-0.1 1,-0.3 -3,-0.1 0.514 79.7 74.3 -83.1 -7.2 1.2 65.5 112.6 53 56 A T T 3 S+ 0 0 4 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.1 0.479 73.0 124.4 -78.2 -3.5 2.5 67.3 115.6 54 57 A W < - 0 0 22 -3,-1.4 2,-0.5 7,-0.2 7,-0.2 -0.355 45.2-162.2 -62.8 136.8 3.5 70.1 113.2 55 58 A D B >>> -B 60 0B 29 5,-2.5 4,-0.9 -2,-0.1 3,-0.9 -0.910 9.6-158.4-120.9 115.0 2.3 73.6 113.8 56 59 A K T 345S+ 0 0 77 101,-2.1 -1,-0.1 -2,-0.5 102,-0.1 0.638 84.9 67.6 -60.2 -17.9 2.4 76.1 111.0 57 60 A H T 345S+ 0 0 133 1,-0.2 -1,-0.2 100,-0.2 100,-0.0 0.886 122.2 8.3 -77.2 -38.7 2.3 79.2 113.3 58 61 A D T <45S- 0 0 79 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.204 98.5-116.6-123.6 12.6 5.8 78.8 114.9 59 62 A N T <5 + 0 0 27 -4,-0.9 -3,-0.2 1,-0.2 2,-0.1 0.665 64.9 143.8 56.3 19.0 7.3 75.9 112.8 60 63 A T B < +B 55 0B 33 -5,-0.7 -5,-2.5 -7,-0.0 -1,-0.2 -0.499 48.6 12.3 -82.9 165.2 7.5 73.5 115.8 61 64 A G S S+ 0 0 15 73,-0.4 3,-0.2 -7,-0.2 -7,-0.2 -0.236 71.2 121.0 64.0-158.8 6.9 69.6 115.6 62 65 A G S S- 0 0 4 -12,-0.2 3,-0.4 -13,-0.2 4,-0.2 -0.181 81.3 -63.8 88.9 174.9 6.7 67.9 112.2 63 66 A S S > S+ 0 0 1 206,-0.4 3,-1.2 203,-0.3 43,-0.2 0.722 107.8 88.4 -75.3 -12.9 8.9 65.0 110.9 64 67 A Y T 3 S+ 0 0 24 205,-0.4 38,-0.3 1,-0.3 39,-0.2 0.862 85.5 43.6 -53.3 -50.7 12.3 66.8 110.8 65 68 A G T 3 S- 0 0 9 -3,-0.4 65,-1.9 64,-0.1 -1,-0.3 0.457 89.0-136.9 -82.5 -3.7 13.7 66.3 114.3 66 69 A G X + 0 0 3 -3,-1.2 3,-1.5 -4,-0.2 4,-0.1 0.789 46.2 157.1 49.4 29.9 12.9 62.7 114.7 67 70 A T G > + 0 0 6 1,-0.2 3,-2.0 2,-0.2 6,-0.4 0.566 48.0 86.5 -65.4 -9.3 11.7 63.5 118.3 68 71 A Y G 3 S+ 0 0 2 1,-0.3 -1,-0.2 5,-0.2 6,-0.1 0.779 76.5 74.4 -57.5 -24.7 9.4 60.4 118.8 69 72 A R G < S+ 0 0 74 -3,-1.5 -1,-0.3 4,-0.1 2,-0.3 0.755 83.9 86.5 -58.9 -27.7 12.7 58.8 119.9 70 73 A F S <> S- 0 0 26 -3,-2.0 4,-2.6 -4,-0.1 3,-0.3 -0.559 89.2-119.0 -83.5 145.9 12.3 60.8 123.1 71 74 A K H > S+ 0 0 136 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.825 106.8 57.6 -47.2 -48.3 10.2 59.5 126.1 72 75 A K H 4 S+ 0 0 82 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.936 116.6 32.8 -53.9 -54.7 7.7 62.5 126.1 73 76 A E H >4 S+ 0 0 4 -6,-0.4 3,-0.9 -3,-0.3 -1,-0.2 0.869 117.6 56.1 -71.0 -36.3 6.5 61.9 122.5 74 77 A F H 3< S+ 0 0 42 -4,-2.6 -2,-0.2 -7,-0.3 -1,-0.2 0.887 112.1 42.3 -62.0 -43.4 7.0 58.1 122.7 75 78 A N T 3< S+ 0 0 107 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.246 80.7 132.7 -85.4 2.3 4.7 57.8 125.7 76 79 A D X - 0 0 10 -3,-0.9 3,-2.9 -4,-0.2 4,-0.3 -0.470 64.2-128.8 -50.3 122.2 2.1 60.3 124.4 77 80 A P G > S+ 0 0 104 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.919 109.1 60.3 -43.8 -41.5 -1.5 58.5 124.9 78 81 A S G 3 S+ 0 0 42 1,-0.3 -2,-0.1 63,-0.1 -3,-0.0 0.634 99.6 56.3 -62.7 -12.0 -2.2 59.2 121.2 79 82 A N G X S+ 0 0 1 -3,-2.9 3,-2.2 -6,-0.1 4,-0.4 0.397 73.2 140.0-102.5 6.8 0.8 57.2 120.2 80 83 A A T < S+ 0 0 27 -3,-2.1 101,-0.1 -4,-0.3 -5,-0.1 -0.149 72.4 20.5 -54.2 131.2 -0.3 53.9 122.0 81 84 A G T > S+ 0 0 6 100,-0.1 3,-1.2 99,-0.1 4,-0.4 0.103 94.0 98.8 94.2 -24.9 0.6 50.9 119.8 82 85 A L T X> + 0 0 0 -3,-2.2 4,-2.1 1,-0.2 3,-1.2 0.778 62.4 83.0 -67.8 -17.9 3.2 52.7 117.6 83 86 A Q H 3> S+ 0 0 47 -4,-0.4 4,-2.8 1,-0.3 -1,-0.2 0.818 85.7 59.6 -52.0 -27.7 5.9 51.1 119.8 84 87 A N H <> S+ 0 0 53 -3,-1.2 4,-1.5 2,-0.2 -1,-0.3 0.855 104.5 46.6 -67.2 -39.8 5.4 48.0 117.6 85 88 A G H <> S+ 0 0 0 -3,-1.2 4,-1.3 -4,-0.4 -2,-0.2 0.864 112.8 51.2 -74.0 -33.4 6.4 50.0 114.5 86 89 A F H >X S+ 0 0 48 -4,-2.1 4,-1.9 2,-0.2 3,-1.0 0.988 108.8 50.2 -62.9 -56.6 9.4 51.5 116.3 87 90 A K H 3< S+ 0 0 115 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.833 108.9 53.0 -54.3 -33.5 10.6 48.0 117.4 88 91 A F H 3< S+ 0 0 4 -4,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.833 112.0 43.4 -66.8 -41.1 10.3 46.8 113.8 89 92 A L H XX S+ 0 0 2 -4,-1.3 4,-1.8 -3,-1.0 3,-0.6 0.727 93.5 83.8 -80.3 -23.2 12.5 49.6 112.4 90 93 A E H 3X S+ 0 0 78 -4,-1.9 4,-2.1 1,-0.2 3,-0.4 0.890 89.1 48.4 -51.9 -52.8 15.1 49.4 115.2 91 94 A P H 3> S+ 0 0 62 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.802 111.0 55.1 -51.1 -32.7 17.3 46.5 113.7 92 95 A I H <> S+ 0 0 5 -3,-0.6 4,-1.5 -4,-0.3 -2,-0.2 0.874 104.2 50.8 -74.0 -35.8 17.1 48.4 110.4 93 96 A H H < S+ 0 0 46 -4,-1.8 3,-0.3 -3,-0.4 6,-0.2 0.935 109.4 52.1 -67.5 -41.3 18.6 51.5 112.1 94 97 A K H < S+ 0 0 139 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.880 110.1 49.7 -58.2 -34.8 21.4 49.3 113.5 95 98 A E H < S+ 0 0 126 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.818 124.1 29.2 -72.9 -30.5 22.1 48.0 110.0 96 99 A F S >< S+ 0 0 21 -4,-1.5 3,-1.7 -3,-0.3 -1,-0.3 -0.533 70.8 167.5-127.0 71.0 22.1 51.6 108.6 97 100 A P T 3 + 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.672 69.6 66.6 -65.2 -18.5 23.4 53.8 111.5 98 101 A W T 3 S+ 0 0 57 2,-0.1 2,-0.2 -5,-0.0 -89,-0.1 0.708 77.7 93.9 -72.3 -27.8 24.0 56.8 109.2 99 102 A I S < S- 0 0 4 -3,-1.7 -3,-0.1 -6,-0.2 2,-0.0 -0.493 79.8-118.4 -71.0 138.1 20.3 57.5 108.3 100 103 A S > - 0 0 14 27,-0.2 4,-2.2 -2,-0.2 5,-0.2 -0.362 20.0-115.9 -66.9 158.5 18.6 60.1 110.6 101 104 A S H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.968 115.1 48.9 -59.5 -49.0 15.5 59.1 112.8 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-2.4 1,-0.2 5,-0.3 0.923 112.4 49.1 -58.0 -46.5 13.0 61.4 111.0 103 106 A D H > S+ 0 0 0 24,-0.2 4,-1.9 -39,-0.2 -1,-0.2 0.912 115.0 44.1 -58.9 -40.5 14.3 60.1 107.6 104 107 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.959 113.9 48.6 -69.3 -50.6 13.9 56.5 108.7 105 108 A F H X S+ 0 0 6 -4,-3.0 4,-1.1 1,-0.2 -58,-0.2 0.950 116.8 44.1 -53.7 -44.9 10.4 56.9 110.4 106 109 A S H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.889 111.2 50.8 -73.2 -34.7 9.1 58.7 107.3 107 110 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.3 5,-0.2 0.875 100.2 66.1 -72.8 -28.7 10.6 56.3 104.7 108 111 A G H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.935 103.7 46.8 -50.2 -46.3 9.0 53.4 106.7 109 112 A G H X S+ 0 0 0 -4,-1.1 4,-2.4 -66,-0.3 5,-0.2 0.929 111.9 48.8 -62.5 -49.9 5.6 54.9 105.6 110 113 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.914 113.1 47.9 -55.2 -45.5 6.6 55.4 102.0 111 114 A T H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.962 111.0 51.3 -61.6 -50.2 8.0 51.8 101.8 112 115 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 6,-0.3 0.943 111.1 47.1 -55.0 -47.7 4.7 50.4 103.4 113 116 A V H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 -1,-0.2 0.934 115.5 44.1 -63.0 -46.3 2.4 52.1 101.0 114 117 A Q H ><5S+ 0 0 7 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.868 113.4 49.8 -68.2 -35.5 4.3 51.2 97.9 115 118 A E H 3<5S+ 0 0 43 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.785 103.4 61.2 -73.0 -25.9 4.8 47.6 99.0 116 119 A M T 3<5S- 0 0 16 -4,-2.1 79,-2.8 -5,-0.2 -1,-0.2 0.042 129.2 -96.7 -84.3 28.9 1.0 47.3 99.7 117 120 A Q T < 5S+ 0 0 127 -3,-0.9 -3,-0.2 77,-0.2 -2,-0.2 0.718 81.1 143.0 61.4 23.6 0.4 48.0 96.0 118 121 A G < - 0 0 17 -5,-2.5 -1,-0.1 -6,-0.3 2,-0.1 -0.040 57.9 -74.5 -74.5-174.0 -0.2 51.8 96.6 119 122 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.459 56.9 -89.9 -70.9 160.3 0.9 54.6 94.3 120 123 A K - 0 0 67 -2,-0.1 164,-0.0 -3,-0.1 162,-0.0 -0.545 40.6-155.9 -63.3 123.5 4.6 55.7 94.1 121 124 A I - 0 0 1 -2,-0.3 162,-0.3 -11,-0.2 -7,-0.1 -0.915 15.0-130.9-101.0 107.5 5.2 58.5 96.8 122 125 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 160,-0.2 -0.351 29.0-161.0 -49.4 128.1 8.3 60.8 96.0 123 126 A W B -C 281 0C 2 158,-2.1 158,-3.1 156,-0.1 2,-0.4 -0.946 9.5-155.3-121.1 143.1 10.4 61.0 99.1 124 127 A R - 0 0 61 -2,-0.4 3,-0.2 156,-0.2 2,-0.1 -0.952 9.6-144.6-114.4 131.9 13.1 63.7 100.0 125 128 A C + 0 0 7 -2,-0.4 -118,-0.2 1,-0.1 -120,-0.0 -0.378 58.7 91.7 -83.8 172.1 16.1 63.1 102.4 126 129 A G + 0 0 0 1,-0.3 -120,-2.2 -120,-0.2 -1,-0.1 0.465 37.6 141.2 129.2 -8.9 17.5 65.7 104.7 127 130 A R - 0 0 4 -3,-0.2 2,-0.4 -122,-0.2 -1,-0.3 -0.463 36.0-153.8 -65.5 145.1 15.8 65.5 108.2 128 131 A V - 0 0 54 -64,-0.2 -121,-0.0 -2,-0.1 -1,-0.0 -0.973 19.1-113.3-122.1 128.9 18.3 66.1 111.0 129 132 A D - 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