==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-MAR-13 4JM5 . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.E.BOYCE,M.FISCHER,I.FISH,B.K.SHOICHET . 289 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 35.6 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 1 1 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 0 136 0, 0.0 2,-0.4 0, 0.0 267,-0.0 0.000 360.0 360.0 360.0 118.1 -11.3 -3.7 -14.6 2 5 A V - 0 0 98 2,-0.0 2,-0.6 267,-0.0 267,-0.1 -0.909 360.0-169.9-118.4 132.2 -9.2 -5.9 -16.9 3 6 A H E -a 269 0A 28 265,-0.6 267,-3.0 -2,-0.4 2,-0.5 -0.941 14.0-161.4-118.6 104.4 -5.7 -5.4 -18.1 4 7 A V E -a 270 0A 69 -2,-0.6 267,-0.2 265,-0.2 2,-0.1 -0.773 22.2-118.6 -91.9 130.1 -4.9 -7.9 -20.9 5 8 A A - 0 0 10 265,-2.7 2,-0.4 -2,-0.5 122,-0.2 -0.392 30.0-168.8 -62.5 135.7 -1.2 -8.5 -21.6 6 9 A S - 0 0 75 120,-2.5 120,-0.2 -2,-0.1 2,-0.1 -0.975 21.6-125.3-134.3 112.2 -0.3 -7.5 -25.2 7 10 A V - 0 0 54 -2,-0.4 3,-0.2 118,-0.1 121,-0.0 -0.356 34.6-101.9 -59.1 130.8 3.0 -8.5 -26.6 8 11 A E > - 0 0 19 1,-0.2 3,-2.6 -2,-0.1 -1,-0.1 -0.293 64.9 -77.8 -52.3 132.0 5.1 -5.6 -28.0 9 12 A K T 3 S- 0 0 199 1,-0.3 -1,-0.2 89,-0.1 89,-0.0 -0.069 106.0 -12.9 -56.5 121.8 4.5 -6.0 -31.7 10 13 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.438 98.5 138.6 79.4 0.5 6.7 -8.8 -33.3 11 14 A R < + 0 0 85 -3,-2.6 2,-0.2 3,-0.1 -1,-0.2 -0.499 24.2 172.3 -85.4 151.9 8.9 -9.1 -30.2 12 15 A S >> - 0 0 63 -2,-0.2 4,-1.6 -5,-0.0 3,-1.0 -0.780 51.0 -66.5-141.5-175.0 10.1 -12.5 -28.8 13 16 A Y H 3> S+ 0 0 46 1,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.848 126.3 55.6 -46.1 -48.3 12.5 -13.9 -26.2 14 17 A E H 3> S+ 0 0 116 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.871 103.7 54.7 -65.5 -31.5 15.7 -12.7 -27.9 15 18 A D H <> S+ 0 0 27 -3,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.946 112.3 43.7 -59.4 -44.5 14.4 -9.0 -27.9 16 19 A F H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.860 108.2 58.0 -73.9 -31.8 13.9 -9.1 -24.2 17 20 A Q H X S+ 0 0 6 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.865 104.8 53.1 -60.9 -36.6 17.2 -10.9 -23.6 18 21 A K H X S+ 0 0 127 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.895 109.6 46.9 -66.3 -35.7 18.8 -7.9 -25.3 19 22 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.939 112.1 50.5 -68.3 -47.7 17.1 -5.5 -23.0 20 23 A Y H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.935 110.8 50.4 -51.7 -46.9 18.1 -7.6 -20.0 21 24 A N H X S+ 0 0 22 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.890 108.0 51.3 -64.2 -38.2 21.7 -7.6 -21.2 22 25 A A H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.913 113.1 45.5 -65.4 -41.2 21.7 -3.8 -21.6 23 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.944 114.7 48.8 -63.1 -44.2 20.4 -3.4 -18.0 24 27 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.865 110.6 49.4 -65.6 -40.1 22.9 -6.0 -16.8 25 28 A L H X S+ 0 0 77 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.891 112.0 49.2 -66.0 -39.3 25.9 -4.4 -18.6 26 29 A K H X S+ 0 0 55 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.881 107.5 54.4 -69.8 -33.3 24.9 -1.0 -17.2 27 30 A L H < S+ 0 0 22 -4,-2.4 12,-0.3 1,-0.2 -2,-0.2 0.903 111.6 45.3 -63.0 -37.8 24.6 -2.5 -13.7 28 31 A R H < S+ 0 0 134 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.912 117.0 45.7 -69.9 -40.9 28.2 -3.7 -14.1 29 32 A E H < S+ 0 0 143 -4,-2.4 2,-1.6 1,-0.2 3,-0.2 0.895 105.6 56.3 -70.1 -45.6 29.4 -0.3 -15.5 30 33 A D >< + 0 0 47 -4,-2.9 3,-0.8 1,-0.2 9,-0.3 -0.393 67.3 144.8 -93.4 64.9 27.9 2.1 -13.1 31 34 A D T 3 + 0 0 82 -2,-1.6 -1,-0.2 -3,-0.4 7,-0.1 0.642 53.3 68.1 -82.8 -16.3 29.5 0.5 -10.1 32 35 A E T 3> + 0 0 130 -3,-0.2 4,-1.9 5,-0.1 3,-0.4 0.682 67.8 123.4 -78.9 -20.5 30.1 3.6 -7.9 33 36 A Y H <>>S+ 0 0 43 -3,-0.8 5,-2.9 1,-0.2 4,-0.8 -0.139 80.5 3.8 -53.1 135.3 26.5 4.4 -7.2 34 37 A D H >45S- 0 0 37 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.947 139.5 -47.1 58.4 57.0 25.5 4.6 -3.4 35 38 A N H 345S- 0 0 146 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.893 113.5 -48.8 48.1 48.4 29.1 4.1 -2.1 36 39 A Y H 3<5S+ 0 0 138 -4,-1.9 -1,-0.3 -6,-0.1 -2,-0.2 0.572 109.0 116.8 70.8 15.8 29.7 1.1 -4.5 37 40 A I T <<5 - 0 0 7 -3,-1.3 3,-0.3 -4,-0.8 -3,-0.2 0.873 66.7-150.6 -66.9 -36.4 26.5 -0.7 -3.7 38 41 A G < - 0 0 8 -5,-2.9 4,-0.4 1,-0.2 -7,-0.1 -0.169 31.2 -67.4 80.2 176.3 25.6 -0.2 -7.4 39 42 A Y S > S+ 0 0 41 -9,-0.3 4,-2.2 -12,-0.3 5,-0.2 0.435 102.8 97.9 -86.2 -0.6 22.0 0.1 -8.8 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.935 84.9 43.5 -58.0 -53.2 20.9 -3.5 -8.1 41 44 A P H > S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.932 113.2 50.3 -62.1 -42.1 19.0 -2.9 -4.8 42 45 A V H > S+ 0 0 18 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.879 109.0 53.5 -67.8 -30.0 17.3 0.3 -5.9 43 46 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.880 109.1 48.8 -69.2 -36.9 16.1 -1.5 -9.2 44 47 A V H X S+ 0 0 7 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.935 112.1 48.8 -62.0 -43.6 14.6 -4.3 -7.1 45 48 A R H X S+ 0 0 90 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.906 110.1 51.7 -62.1 -40.7 12.9 -1.7 -4.9 46 49 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.952 108.5 50.6 -61.5 -45.7 11.5 0.2 -8.0 47 50 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.884 113.4 46.7 -60.3 -39.6 10.0 -3.0 -9.4 48 51 A W H X S+ 0 0 41 -4,-2.0 4,-2.7 1,-0.2 3,-0.4 0.933 112.4 48.7 -68.0 -45.9 8.3 -3.7 -6.0 49 52 A H H < S+ 0 0 5 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.817 109.3 51.2 -68.6 -32.5 7.0 -0.2 -5.6 50 53 A I H < S+ 0 0 4 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.757 119.9 38.3 -73.4 -22.1 5.5 0.0 -9.1 51 54 A S H >< S+ 0 0 0 -4,-0.8 3,-1.6 -3,-0.4 -2,-0.2 0.765 103.6 69.1 -89.1 -36.0 3.8 -3.3 -8.4 52 55 A G T 3< S+ 0 0 0 -4,-2.7 -2,-0.1 1,-0.3 -3,-0.1 0.435 80.3 76.0 -75.9 0.7 2.8 -2.7 -4.8 53 56 A T T 3 S+ 0 0 2 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.517 72.6 120.7 -77.1 -8.6 0.2 -0.1 -5.6 54 57 A W < - 0 0 24 -3,-1.6 2,-0.4 7,-0.2 7,-0.2 -0.235 48.0-162.0 -62.6 145.2 -2.1 -2.9 -6.7 55 58 A D B >>> -B 60 0B 30 5,-2.0 4,-2.1 1,-0.1 3,-1.1 -0.962 8.5-157.4-126.2 114.2 -5.5 -3.4 -5.1 56 59 A K T 345S+ 0 0 87 101,-2.2 -1,-0.1 -2,-0.4 102,-0.1 0.735 87.0 68.8 -59.5 -22.6 -7.0 -6.8 -5.6 57 60 A H T 345S+ 0 0 138 1,-0.2 -1,-0.2 100,-0.2 -3,-0.0 0.847 124.1 2.6 -71.0 -33.8 -10.5 -5.4 -4.9 58 61 A D T <45S- 0 0 76 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.355 94.5-114.9-135.5 8.3 -10.8 -3.2 -8.0 59 62 A N T <5 + 0 0 20 -4,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.749 63.3 148.7 55.8 31.1 -7.6 -3.9 -10.0 60 63 A T B < +B 55 0B 39 -5,-0.6 -5,-2.0 -7,-0.1 -1,-0.2 -0.474 52.3 9.9 -82.3 162.7 -6.4 -0.4 -9.6 61 64 A G S S+ 0 0 13 73,-0.5 -7,-0.2 -7,-0.2 4,-0.2 -0.278 75.0 126.9 64.6-156.6 -2.6 0.3 -9.4 62 65 A G S S- 0 0 4 1,-0.2 3,-0.5 -13,-0.2 5,-0.4 -0.030 74.5 -74.2 86.4 167.7 -0.2 -2.5 -10.3 63 66 A S S > S+ 0 0 2 204,-0.4 3,-1.3 201,-0.3 -1,-0.2 0.717 105.8 87.3 -69.8 -21.0 2.7 -2.8 -12.7 64 67 A Y T 3 S+ 0 0 22 203,-0.4 38,-0.4 1,-0.3 64,-0.3 0.849 87.6 43.9 -53.1 -49.6 0.6 -3.0 -15.9 65 68 A G T 3 S- 0 0 5 -3,-0.5 65,-2.1 -4,-0.2 -1,-0.3 0.549 92.2-133.3 -83.4 -5.3 0.1 0.7 -16.7 66 69 A G X + 0 0 3 -3,-1.3 3,-1.6 -4,-0.2 -2,-0.1 0.807 47.7 157.0 64.3 28.9 3.6 2.0 -16.1 67 70 A T G > + 0 0 7 -5,-0.4 3,-2.4 1,-0.3 6,-0.4 0.591 48.3 85.6 -76.6 -9.3 2.2 4.8 -14.2 68 71 A Y G 3 S+ 0 0 3 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.753 77.5 73.0 -57.2 -23.2 5.3 5.6 -12.1 69 72 A R G < S+ 0 0 66 -3,-1.6 2,-0.3 4,-0.1 -1,-0.3 0.651 84.0 87.0 -67.2 -11.6 6.4 7.7 -15.1 70 73 A F S X> S- 0 0 35 -3,-2.4 4,-2.7 1,-0.1 3,-0.9 -0.717 87.2-121.3 -95.2 144.6 3.7 10.3 -14.0 71 74 A K H 3> S+ 0 0 126 -2,-0.3 4,-2.5 1,-0.3 5,-0.1 0.814 106.9 60.0 -55.1 -37.1 4.4 13.0 -11.4 72 75 A K H 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.929 115.5 34.3 -57.4 -45.7 1.8 12.0 -8.9 73 76 A E H X4 S+ 0 0 2 -3,-0.9 3,-1.7 -6,-0.4 -2,-0.2 0.912 116.6 51.6 -79.9 -42.1 3.4 8.5 -8.5 74 77 A F H 3< S+ 0 0 71 -4,-2.7 -2,-0.2 -7,-0.3 -1,-0.2 0.849 111.4 49.9 -71.1 -19.4 7.0 9.4 -8.9 75 78 A N T 3< S+ 0 0 95 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.334 78.1 129.7 -92.8 6.4 6.6 12.1 -6.3 76 79 A D X - 0 0 7 -3,-1.7 3,-2.4 1,-0.2 4,-0.2 -0.419 64.4-132.6 -54.6 128.9 4.9 9.7 -3.8 77 80 A P G > S+ 0 0 100 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.833 108.3 61.9 -52.1 -34.3 6.9 10.2 -0.5 78 81 A S G 3 S+ 0 0 40 1,-0.3 -2,-0.1 63,-0.0 -3,-0.0 0.641 102.3 52.4 -63.3 -20.2 7.0 6.4 -0.3 79 82 A N G X S+ 0 0 0 -3,-2.4 3,-2.3 -6,-0.1 4,-0.4 0.261 74.4 140.5 -99.5 11.4 9.0 6.4 -3.5 80 83 A A T < S+ 0 0 26 -3,-1.5 -5,-0.1 1,-0.3 101,-0.1 -0.320 72.7 22.2 -62.5 130.1 11.7 8.9 -2.5 81 84 A G T > S+ 0 0 6 -2,-0.1 3,-1.7 99,-0.1 4,-0.4 -0.007 94.0 99.9 101.5 -23.9 15.0 7.7 -3.8 82 85 A L T X> + 0 0 1 -3,-2.3 4,-2.2 1,-0.3 3,-0.9 0.736 62.0 80.7 -70.1 -17.6 13.5 5.6 -6.7 83 86 A Q H 3> S+ 0 0 60 -4,-0.4 4,-2.6 1,-0.3 -1,-0.3 0.812 85.2 62.1 -54.3 -30.5 14.2 8.4 -9.1 84 87 A N H <> S+ 0 0 58 -3,-1.7 4,-1.8 2,-0.2 -1,-0.3 0.894 104.3 46.1 -62.7 -38.7 17.8 7.0 -9.1 85 88 A G H <> S+ 0 0 0 -3,-0.9 4,-1.9 -4,-0.4 -2,-0.2 0.904 111.8 50.8 -69.0 -39.0 16.5 3.8 -10.5 86 89 A F H X S+ 0 0 56 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.921 109.8 50.1 -63.8 -44.5 14.3 5.5 -13.1 87 90 A K H < S+ 0 0 121 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.898 108.2 53.5 -63.7 -35.6 17.3 7.6 -14.3 88 91 A F H < S+ 0 0 4 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.901 111.2 46.8 -60.4 -44.2 19.4 4.5 -14.6 89 92 A L H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 3,-0.3 0.689 90.5 84.7 -75.8 -14.8 16.7 3.0 -16.8 90 93 A E H X S+ 0 0 76 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.2 0.906 90.7 45.7 -59.1 -48.8 16.3 6.1 -19.0 91 94 A P H > S+ 0 0 58 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.826 112.2 54.2 -65.1 -26.2 19.2 5.2 -21.5 92 95 A I H > S+ 0 0 6 -4,-0.5 4,-2.2 -3,-0.3 -2,-0.2 0.942 108.5 47.6 -68.1 -44.5 17.8 1.7 -21.6 93 96 A H H < S+ 0 0 45 -4,-2.7 6,-0.2 1,-0.2 -1,-0.2 0.876 110.1 53.9 -63.6 -36.4 14.4 2.9 -22.6 94 97 A K H < S+ 0 0 154 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.901 110.6 45.2 -65.3 -39.2 16.0 5.2 -25.2 95 98 A E H < S+ 0 0 130 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.852 125.9 32.1 -69.7 -34.8 17.8 2.4 -26.8 96 99 A F >< + 0 0 22 -4,-2.2 3,-1.8 1,-0.1 -1,-0.3 -0.644 69.1 163.7-123.0 70.2 14.8 0.1 -26.7 97 100 A P T 3 + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.679 66.8 70.8 -68.0 -15.5 11.9 2.5 -27.2 98 101 A W T 3 S+ 0 0 55 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.592 76.2 94.1 -73.5 -20.2 9.5 -0.3 -28.1 99 102 A I S < S- 0 0 4 -3,-1.8 -3,-0.0 -6,-0.2 2,-0.0 -0.561 80.2-118.4 -76.5 144.3 9.4 -1.8 -24.5 100 103 A S > - 0 0 13 -2,-0.2 4,-2.4 27,-0.2 5,-0.1 -0.359 21.1-115.9 -73.4 161.1 6.5 -0.6 -22.4 101 104 A S H > S+ 0 0 8 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.930 115.4 48.8 -66.4 -42.8 7.3 1.3 -19.2 102 105 A G H > S+ 0 0 0 -38,-0.4 4,-2.2 1,-0.2 5,-0.3 0.899 111.8 50.2 -63.8 -37.9 5.8 -1.4 -16.9 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.5 -39,-0.2 -1,-0.2 0.930 112.7 47.7 -63.0 -44.8 7.7 -4.1 -18.8 104 107 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.930 113.2 45.8 -63.7 -46.7 10.9 -2.1 -18.4 105 108 A F H X S+ 0 0 2 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.919 117.3 43.5 -66.4 -42.2 10.5 -1.4 -14.6 106 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 3,-0.2 0.923 112.8 51.8 -68.7 -39.8 9.6 -4.9 -13.8 107 110 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.862 103.6 60.5 -64.6 -33.0 12.3 -6.4 -16.0 108 111 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.913 105.6 46.9 -60.8 -37.6 14.8 -4.1 -14.2 109 112 A G H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.2 -2,-0.2 0.915 113.1 48.1 -69.6 -41.7 14.0 -5.8 -10.9 110 113 A V H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.937 112.9 48.3 -58.5 -47.1 14.3 -9.3 -12.4 111 114 A T H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.933 112.1 50.0 -62.3 -45.5 17.6 -8.4 -14.1 112 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 6,-0.2 0.946 110.7 48.7 -61.0 -47.7 18.9 -6.9 -10.8 113 116 A V H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 80,-0.2 0.952 116.3 42.5 -54.9 -49.3 18.0 -10.0 -8.7 114 117 A Q H ><5S+ 0 0 5 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.907 113.1 50.4 -68.5 -40.7 19.6 -12.4 -11.2 115 118 A E H 3<5S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.831 104.2 59.9 -70.6 -25.6 22.7 -10.4 -11.8 116 119 A M T 3<5S- 0 0 15 -4,-2.1 77,-2.9 -5,-0.2 -1,-0.3 0.243 128.6-100.6 -83.0 17.5 23.2 -10.1 -7.9 117 120 A Q T < 5S+ 0 0 126 -3,-1.7 -3,-0.2 75,-0.2 -2,-0.2 0.685 79.5 140.0 74.6 21.3 23.3 -14.0 -8.0 118 121 A G < - 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