==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-MAR-04 1STQ . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR T.P.BARROWS,B.BHASKAR,T.L.POULOS . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 63.2 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 . 15 5.2 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 35.4 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 0 162 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.1 11.4 91.4 74.7 2 5 A V - 0 0 106 2,-0.0 2,-0.7 269,-0.0 269,-0.1 -0.945 360.0-155.9-112.7 130.1 9.6 88.5 73.1 3 6 A H E -a 271 0A 29 267,-0.6 269,-3.7 -2,-0.5 2,-0.5 -0.894 8.1-163.4-111.7 104.5 8.5 88.8 69.5 4 7 A V E -a 272 0A 70 -2,-0.7 269,-0.2 267,-0.2 2,-0.1 -0.753 24.0-119.2 -90.4 124.7 5.7 86.5 68.6 5 8 A A - 0 0 11 267,-2.9 2,-0.5 -2,-0.5 122,-0.2 -0.391 29.4-167.3 -61.9 132.3 5.0 86.0 64.9 6 9 A S - 0 0 74 120,-2.7 120,-0.2 -2,-0.1 3,-0.1 -0.943 19.4-128.2-128.8 108.5 1.5 87.1 64.0 7 10 A V - 0 0 54 -2,-0.5 3,-0.2 118,-0.2 121,-0.0 -0.290 35.0 -99.7 -57.3 128.8 0.1 86.1 60.6 8 11 A E > - 0 0 21 1,-0.2 3,-2.7 2,-0.1 -1,-0.1 -0.292 65.0 -77.0 -50.1 126.0 -1.2 89.0 58.6 9 12 A K T 3 S- 0 0 195 1,-0.3 -1,-0.2 -3,-0.1 89,-0.0 0.054 106.7 -15.3 -34.9 114.1 -5.0 88.6 59.1 10 13 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.476 98.8 139.0 68.5 5.2 -6.5 85.8 57.0 11 14 A R < + 0 0 83 -3,-2.7 2,-0.2 3,-0.0 -1,-0.2 -0.486 23.8 172.3 -83.8 152.3 -3.4 85.5 54.7 12 15 A S >> - 0 0 45 -2,-0.2 4,-1.6 -5,-0.0 3,-1.1 -0.800 51.1 -66.3-143.2-175.7 -2.0 82.2 53.5 13 16 A Y H 3> S+ 0 0 79 1,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.859 126.4 56.3 -44.6 -48.8 0.6 80.8 51.1 14 17 A E H 3> S+ 0 0 121 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.861 105.2 52.8 -56.6 -37.3 -1.2 82.0 48.0 15 18 A D H <> S+ 0 0 22 -3,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.930 111.8 44.1 -65.4 -45.3 -1.2 85.6 49.2 16 19 A F H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.796 107.2 58.9 -71.9 -27.0 2.6 85.6 49.8 17 20 A Q H X S+ 0 0 15 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.839 103.8 54.3 -68.8 -30.6 3.3 83.9 46.5 18 21 A K H X S+ 0 0 118 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.2 0.883 109.3 46.2 -69.0 -37.3 1.5 86.8 44.9 19 22 A V H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.923 112.7 50.7 -69.0 -44.0 3.9 89.2 46.7 20 23 A Y H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.943 110.3 50.5 -56.2 -49.1 6.8 87.0 45.7 21 24 A N H X S+ 0 0 22 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.883 108.4 50.8 -58.6 -41.8 5.6 87.1 42.1 22 25 A A H X S+ 0 0 14 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.895 112.7 46.8 -64.2 -40.5 5.3 90.9 42.0 23 26 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.939 114.1 47.5 -65.4 -46.6 8.8 91.3 43.4 24 27 A A H X S+ 0 0 1 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.872 111.5 50.2 -63.1 -39.5 10.1 88.7 40.8 25 28 A L H X S+ 0 0 76 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.876 111.6 47.8 -68.0 -37.1 8.3 90.4 37.9 26 29 A K H X S+ 0 0 54 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.834 108.0 56.0 -72.3 -31.4 9.7 93.8 38.9 27 30 A L H < S+ 0 0 22 -4,-2.0 12,-0.3 1,-0.2 -2,-0.2 0.900 110.5 45.4 -64.3 -40.5 13.2 92.2 39.2 28 31 A R H < S+ 0 0 128 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.892 115.8 46.9 -68.9 -40.5 12.8 91.0 35.6 29 32 A E H < S+ 0 0 140 -4,-2.1 2,-1.3 1,-0.2 3,-0.3 0.903 106.4 54.1 -70.5 -46.1 11.5 94.4 34.4 30 33 A D >< + 0 0 42 -4,-2.8 3,-0.7 1,-0.2 9,-0.4 -0.354 67.2 141.8 -88.8 57.1 14.0 96.8 36.0 31 34 A D T 3 + 0 0 79 -2,-1.3 -1,-0.2 -3,-0.5 7,-0.1 0.600 54.9 70.5 -74.3 -13.1 17.0 95.0 34.5 32 35 A E T 3> + 0 0 124 -3,-0.3 4,-2.5 4,-0.1 3,-0.3 0.760 68.5 119.4 -76.8 -26.5 19.0 98.2 33.8 33 36 A Y H <>>S+ 0 0 43 -3,-0.7 5,-2.4 1,-0.2 4,-1.3 -0.028 80.5 6.3 -44.4 138.0 19.8 99.0 37.5 34 37 A D H >45S- 0 0 36 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.933 140.0 -47.0 50.6 58.8 23.5 99.1 38.5 35 38 A N H 345S- 0 0 138 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.904 113.2 -51.0 50.9 47.1 24.9 98.7 34.9 36 39 A Y H 3<5S+ 0 0 143 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.655 107.9 119.9 67.0 22.0 22.5 95.8 34.3 37 40 A I T <<5 - 0 0 17 -4,-1.3 3,-0.3 -3,-1.0 -3,-0.2 0.859 68.0-142.1 -77.5 -35.5 23.3 93.8 37.4 38 41 A G < - 0 0 9 -5,-2.4 4,-0.4 1,-0.2 -7,-0.1 -0.189 26.3 -74.6 94.0 167.5 19.6 94.2 38.4 39 42 A Y S > S+ 0 0 41 -9,-0.4 4,-1.8 -12,-0.3 5,-0.2 0.473 103.0 99.8 -79.9 -1.9 18.1 94.8 41.9 40 43 A G H > S+ 0 0 4 -3,-0.3 4,-1.5 1,-0.2 3,-0.4 0.939 82.5 42.7 -49.1 -61.2 18.7 91.2 42.9 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.898 112.9 50.7 -56.2 -46.3 21.9 91.7 44.9 42 45 A V H > S+ 0 0 19 -4,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.826 108.1 54.2 -66.1 -27.6 20.8 94.9 46.7 43 46 A L H X S+ 0 0 1 -4,-1.8 4,-2.0 -3,-0.4 -1,-0.2 0.858 108.5 49.3 -72.0 -33.7 17.6 93.2 47.8 44 47 A V H X S+ 0 0 7 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.930 112.1 47.9 -69.5 -43.4 19.6 90.3 49.3 45 48 A R H X S+ 0 0 96 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.865 109.6 53.5 -65.7 -34.1 21.8 92.8 51.2 46 49 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.935 108.0 49.8 -65.0 -44.2 18.7 94.7 52.4 47 50 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.902 114.6 45.7 -60.6 -40.1 17.3 91.5 53.8 48 51 A W H X S+ 0 0 42 -4,-2.1 4,-3.5 2,-0.2 3,-0.5 0.938 113.5 46.0 -71.8 -45.7 20.6 90.8 55.6 49 52 A H H < S+ 0 0 5 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.834 111.4 52.6 -67.9 -29.9 21.2 94.3 57.0 50 53 A T H < S+ 0 0 6 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.737 120.4 35.1 -75.8 -19.8 17.6 94.6 58.2 51 54 A S H >< S+ 0 0 0 -4,-0.8 3,-1.5 -3,-0.5 -2,-0.2 0.747 104.9 71.4 -99.4 -31.3 18.1 91.2 60.0 52 55 A G T 3< S+ 0 0 0 -4,-3.5 -2,-0.1 1,-0.3 -3,-0.1 0.412 77.2 77.6 -69.3 0.1 21.7 91.6 61.0 53 56 A T T 3 S+ 0 0 3 -4,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.531 70.4 123.0 -84.9 -6.6 21.1 94.2 63.7 54 57 A W < - 0 0 24 -3,-1.5 2,-0.5 7,-0.2 7,-0.2 -0.199 47.7-159.8 -59.6 142.3 19.9 91.5 66.0 55 58 A D B >>> -B 60 0B 29 5,-1.8 4,-1.9 1,-0.1 3,-1.1 -0.959 7.8-156.9-126.5 110.4 21.6 90.9 69.4 56 59 A K T 345S+ 0 0 86 101,-2.1 -1,-0.1 -2,-0.5 102,-0.1 0.729 87.7 67.9 -57.7 -23.9 21.0 87.5 70.9 57 60 A H T 345S+ 0 0 140 1,-0.2 -1,-0.2 100,-0.2 -3,-0.0 0.834 124.1 3.6 -69.4 -34.2 21.7 88.8 74.3 58 61 A D T <45S- 0 0 80 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.293 94.4-116.9-135.1 9.4 18.6 91.0 74.6 59 62 A N T <5 + 0 0 28 -4,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.753 62.8 148.5 58.4 28.2 16.7 90.3 71.4 60 63 A T B < +B 55 0B 48 -5,-0.7 -5,-1.8 -7,-0.1 -1,-0.2 -0.502 52.4 12.4 -85.3 162.8 17.0 93.9 70.2 61 64 A G S S+ 0 0 13 73,-0.5 4,-0.2 -7,-0.2 -7,-0.2 -0.317 76.0 128.0 69.1-156.5 17.2 94.6 66.5 62 65 A G S S- 0 0 3 -13,-0.2 5,-0.3 1,-0.1 3,-0.3 -0.171 73.7 -73.7 94.5 170.2 16.3 91.8 64.1 63 66 A S S > S+ 0 0 4 206,-0.5 3,-0.7 203,-0.3 -1,-0.1 0.671 106.9 86.2 -78.0 -20.3 14.0 91.5 61.1 64 67 A Y T 3 S+ 0 0 23 205,-0.4 38,-0.4 1,-0.2 -1,-0.2 0.879 90.3 41.6 -49.7 -51.5 10.8 91.4 63.2 65 68 A G T 3 S- 0 0 5 -3,-0.3 65,-1.5 -4,-0.2 -1,-0.2 0.626 88.0-139.3 -78.1 -15.3 10.1 95.1 63.5 66 69 A G X + 0 0 3 -3,-0.7 3,-1.3 -4,-0.3 -3,-0.1 0.862 42.1 160.3 58.3 37.1 11.0 96.4 60.0 67 70 A T G > + 0 0 5 -5,-0.3 3,-2.2 1,-0.3 6,-0.4 0.530 47.7 89.7 -69.8 -7.9 12.6 99.3 61.6 68 71 A Y G 3 S+ 0 0 3 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.752 73.5 73.7 -61.5 -21.4 14.7 100.2 58.6 69 72 A R G < S+ 0 0 68 -3,-1.3 2,-0.4 4,-0.1 -1,-0.3 0.626 83.6 84.9 -67.6 -11.7 11.8 102.4 57.5 70 73 A F S X> S- 0 0 35 -3,-2.2 4,-2.6 1,-0.1 3,-0.8 -0.750 88.0-121.6 -95.6 140.4 12.9 104.8 60.2 71 74 A K H 3> S+ 0 0 134 -2,-0.4 4,-2.7 1,-0.2 5,-0.1 0.779 105.1 62.4 -49.4 -39.1 15.5 107.4 59.5 72 75 A K H 34 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.931 117.6 29.4 -56.3 -46.0 18.0 106.4 62.2 73 76 A E H X4 S+ 0 0 3 -3,-0.8 3,-1.5 -6,-0.4 -2,-0.2 0.859 116.9 59.1 -79.8 -38.3 18.5 103.0 60.6 74 77 A F H 3< S+ 0 0 68 -4,-2.6 -2,-0.2 -7,-0.3 -3,-0.2 0.856 111.0 43.1 -58.8 -36.3 17.8 104.2 57.1 75 78 A N T 3< S+ 0 0 97 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.294 79.2 134.6 -95.3 8.9 20.7 106.6 57.4 76 79 A D X - 0 0 8 -3,-1.5 3,-2.0 1,-0.2 4,-0.1 -0.389 60.4-134.0 -57.7 128.5 23.1 104.1 59.1 77 80 A P G > S+ 0 0 99 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.860 107.7 61.3 -55.1 -32.2 26.4 104.6 57.3 78 81 A S G 3 S+ 0 0 35 1,-0.3 -2,-0.1 63,-0.0 -29,-0.0 0.740 102.0 53.0 -65.5 -21.9 26.6 100.8 57.1 79 82 A N G X S+ 0 0 0 -3,-2.0 3,-2.2 -6,-0.2 4,-0.4 0.245 74.2 143.2 -98.7 13.3 23.4 100.9 55.1 80 83 A A T < S+ 0 0 27 -3,-1.6 101,-0.1 1,-0.3 -5,-0.1 -0.338 72.3 20.4 -57.1 123.5 24.6 103.3 52.4 81 84 A G T > S+ 0 0 7 -2,-0.1 3,-1.5 99,-0.1 4,-0.4 0.075 92.9 101.1 105.3 -22.9 23.1 102.2 49.1 82 85 A L T X> + 0 0 1 -3,-2.2 4,-2.1 1,-0.3 3,-0.9 0.683 61.7 81.5 -69.2 -16.1 20.2 100.1 50.5 83 86 A Q H 3> S+ 0 0 69 -4,-0.4 4,-2.4 1,-0.3 -1,-0.3 0.803 85.3 62.0 -58.3 -26.6 17.8 103.0 49.8 84 87 A N H <> S+ 0 0 60 -3,-1.5 4,-1.5 2,-0.2 -1,-0.3 0.887 104.6 45.3 -65.6 -39.5 17.8 101.6 46.2 85 88 A G H <> S+ 0 0 0 -3,-0.9 4,-1.8 -4,-0.4 -2,-0.2 0.898 112.0 51.4 -70.9 -40.4 16.4 98.4 47.5 86 89 A F H X S+ 0 0 60 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.902 109.4 50.2 -63.0 -41.4 13.8 100.1 49.6 87 90 A K H < S+ 0 0 124 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.856 107.2 55.1 -65.9 -33.8 12.7 102.3 46.7 88 91 A F H < S+ 0 0 3 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.889 109.8 46.8 -64.7 -39.0 12.3 99.1 44.6 89 92 A L H X S+ 0 0 3 -4,-1.8 4,-2.7 1,-0.2 3,-0.4 0.652 89.7 86.1 -79.1 -15.7 10.0 97.7 47.2 90 93 A E H X S+ 0 0 92 -4,-1.0 4,-1.9 -3,-0.3 -1,-0.2 0.915 91.2 44.8 -53.2 -49.9 7.9 100.8 47.6 91 94 A P H > S+ 0 0 52 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.801 112.3 54.2 -67.0 -24.8 5.5 100.0 44.7 92 95 A I H > S+ 0 0 7 -4,-0.4 4,-2.0 -3,-0.4 -2,-0.2 0.926 109.0 47.1 -71.3 -44.7 5.3 96.4 45.9 93 96 A H H < S+ 0 0 48 -4,-2.7 -1,-0.2 1,-0.2 6,-0.2 0.837 108.8 56.0 -66.2 -31.2 4.2 97.6 49.4 94 97 A K H < S+ 0 0 174 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.851 110.1 44.4 -69.2 -34.2 1.7 99.9 47.8 95 98 A E H < S+ 0 0 130 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.833 126.5 31.7 -78.1 -33.1 0.0 97.1 45.9 96 99 A F >< + 0 0 20 -4,-2.0 3,-1.6 1,-0.1 -1,-0.3 -0.597 69.8 162.5-123.6 69.2 0.1 94.8 49.0 97 100 A P T 3 + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.666 66.4 71.8 -61.4 -18.4 -0.2 97.2 51.9 98 101 A W T 3 S+ 0 0 59 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.656 75.8 92.9 -74.7 -18.4 -1.2 94.4 54.3 99 102 A I S < S- 0 0 3 -3,-1.6 29,-0.0 -6,-0.2 -3,-0.0 -0.560 81.1-116.8 -79.2 141.7 2.2 92.8 54.5 100 103 A S > - 0 0 12 27,-0.2 4,-2.0 -2,-0.2 5,-0.1 -0.322 20.6-117.0 -71.6 160.7 4.4 94.0 57.3 101 104 A S H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.901 115.2 51.6 -65.8 -41.1 7.7 95.8 56.6 102 105 A G H > S+ 0 0 1 -38,-0.4 4,-2.0 1,-0.2 5,-0.2 0.888 109.9 49.0 -63.2 -40.3 9.8 93.1 58.1 103 106 A D H > S+ 0 0 0 24,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.904 113.2 47.9 -66.1 -39.3 8.0 90.4 56.1 104 107 A L H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.916 111.2 48.7 -67.9 -44.6 8.6 92.5 52.9 105 108 A F H X S+ 0 0 3 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.924 118.1 40.7 -61.6 -45.2 12.3 93.2 53.5 106 109 A S H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 3,-0.3 0.903 113.9 51.9 -71.4 -40.7 13.0 89.5 54.3 107 110 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.845 103.4 60.9 -64.6 -31.3 10.8 88.2 51.5 108 111 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.898 105.9 46.1 -61.1 -40.2 12.6 90.5 49.1 109 112 A G H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.3 -2,-0.2 0.906 112.9 48.7 -68.8 -42.9 15.9 88.7 49.9 110 113 A V H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.935 112.2 48.9 -61.9 -47.3 14.3 85.3 49.5 111 114 A T H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.916 110.9 50.5 -59.4 -44.6 12.7 86.2 46.2 112 115 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 6,-0.2 0.926 109.9 49.2 -61.3 -47.4 16.0 87.6 44.8 113 116 A V H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 82,-0.2 0.940 115.4 43.6 -58.6 -48.9 18.1 84.6 45.8 114 117 A Q H ><5S+ 0 0 5 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.909 112.6 50.4 -65.5 -43.5 15.6 82.2 44.2 115 118 A E H 3<5S+ 0 0 47 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.815 104.6 59.4 -66.1 -28.0 15.0 84.2 41.0 116 119 A M T 3<5S- 0 0 15 -4,-1.8 79,-2.8 -5,-0.2 -1,-0.3 0.158 127.9-100.8 -85.6 20.7 18.8 84.5 40.5 117 120 A Q T < 5S+ 0 0 129 -3,-1.6 -3,-0.2 77,-0.2 -2,-0.2 0.695 79.2 138.2 70.6 23.1 18.8 80.6 40.4 118 121 A G < - 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