==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-AUG-10 3OM3 . COMPND 2 MOLECULE: CYTOCHROME C OXIDASE, AA3 TYPE, SUBUNIT I; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES 2.4.1; . AUTHOR J.LIU,L.QIN,S.FERGUSON-MILLER . 1578 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1199 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 2 0.1 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 . 56 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 169 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 765 48.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 2.5 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 2 2 0 4 1 2 5 1 0 0 2 0 0 0 2 1 2 2 0 0 2 0 0 1 0 5 11 RESIDUES PER ALPHA HELIX . 2 2 0 2 0 0 2 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 . 9 1 0 0 8 2 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 . 3 0 2 2 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 17 A F 0 0 121 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-166.3 -16.4 -3.3 -4.4 2 18 A T > + 0 0 71 1,-0.2 3,-3.2 2,-0.1 4,-0.4 0.934 360.0 90.9 -58.8 -49.6 -13.0 -3.3 -2.7 3 19 A R G >> + 0 0 68 1,-0.3 3,-4.0 2,-0.2 4,-1.0 0.611 69.7 72.7 -9.5 -66.5 -14.6 -1.2 0.1 4 20 A W G 34 S+ 0 0 118 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.712 96.7 50.1 -15.4 -51.6 -15.4 -4.5 2.1 5 21 A F G <4 S+ 0 0 79 -3,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.654 109.9 49.5 -77.5 -20.2 -11.7 -4.8 2.8 6 22 A M T <4 S+ 0 0 126 -3,-4.0 -1,-0.2 -4,-0.4 -2,-0.2 0.485 85.3 115.9 -97.7 -5.7 -11.4 -1.3 4.1 7 23 A S < - 0 0 27 -4,-1.0 -3,-0.0 -3,-0.4 0, 0.0 -0.267 47.2-165.6 -64.2 151.4 -14.4 -1.5 6.4 8 24 A T + 0 0 56 115,-0.1 2,-0.3 116,-0.0 109,-0.2 0.337 48.3 120.6-118.6 0.8 -13.8 -1.2 10.2 9 25 A N >> - 0 0 23 1,-0.1 4,-2.1 107,-0.1 3,-0.6 -0.542 65.8-132.8 -78.0 129.3 -17.2 -2.6 11.3 10 26 A H H 3> S+ 0 0 0 -2,-0.3 4,-1.6 1,-0.3 -1,-0.1 0.707 106.2 52.4 -53.9 -27.7 -17.0 -5.7 13.5 11 27 A K H 3> S+ 0 0 11 521,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.912 110.7 45.7 -74.2 -45.2 -19.7 -7.4 11.4 12 28 A D H <> S+ 0 0 50 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.814 114.2 48.9 -65.8 -35.2 -17.9 -6.9 8.1 13 29 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.911 108.5 53.1 -73.2 -43.6 -14.6 -8.0 9.5 14 30 A G H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.880 109.6 49.6 -55.1 -41.6 -16.2 -11.1 11.0 15 31 A V H X S+ 0 0 27 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.902 110.2 50.4 -65.3 -42.0 -17.6 -12.0 7.6 16 32 A L H X S+ 0 0 13 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.898 110.5 49.5 -62.9 -43.3 -14.1 -11.4 6.0 17 33 A Y H X S+ 0 0 8 -4,-2.7 4,-2.7 84,-0.3 85,-0.2 0.915 111.3 49.9 -58.9 -46.2 -12.5 -13.7 8.6 18 34 A L H X S+ 0 0 25 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.914 114.0 42.9 -63.1 -46.4 -15.1 -16.4 7.9 19 35 A F H X S+ 0 0 119 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.928 116.8 45.8 -65.6 -46.7 -14.8 -16.4 4.1 20 36 A T H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.937 112.4 51.8 -64.7 -46.4 -11.0 -16.2 4.1 21 37 A G H X S+ 0 0 3 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.812 109.7 51.5 -55.1 -34.6 -10.8 -19.0 6.8 22 38 A G H X S+ 0 0 31 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.883 109.7 47.1 -73.6 -42.0 -13.1 -21.1 4.6 23 39 A L H X S+ 0 0 110 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.901 115.1 46.2 -64.9 -43.1 -10.9 -20.7 1.5 24 40 A V H X S+ 0 0 5 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.901 110.6 54.2 -67.8 -38.3 -7.8 -21.5 3.4 25 41 A G H X S+ 0 0 7 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.918 106.5 52.8 -55.2 -45.4 -9.7 -24.4 5.0 26 42 A L H X S+ 0 0 50 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.907 110.3 46.9 -56.9 -45.4 -10.4 -25.6 1.4 27 43 A I H X S+ 0 0 62 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.923 114.3 46.0 -63.9 -46.1 -6.7 -25.4 0.5 28 44 A S H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.870 112.0 51.2 -68.1 -37.4 -5.6 -27.3 3.6 29 45 A V H X S+ 0 0 33 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.897 106.9 54.6 -64.1 -40.1 -8.3 -29.9 3.2 30 46 A A H X S+ 0 0 40 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.913 104.7 54.5 -59.1 -42.4 -7.2 -30.4 -0.4 31 47 A F H X S+ 0 0 35 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.906 106.6 51.5 -54.8 -46.4 -3.6 -31.0 1.0 32 48 A T H X S+ 0 0 32 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.808 105.5 55.1 -64.7 -31.7 -5.1 -33.8 3.2 33 49 A V H X S+ 0 0 21 -4,-1.7 4,-2.4 -3,-0.2 -1,-0.2 0.962 110.0 46.1 -62.0 -50.5 -6.8 -35.4 0.2 34 50 A Y H X S+ 0 0 18 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.907 112.0 52.0 -57.8 -43.5 -3.4 -35.6 -1.5 35 51 A M H X S+ 0 0 22 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.915 111.6 46.1 -54.3 -47.5 -1.9 -37.0 1.7 36 52 A R H X S+ 0 0 15 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.784 104.8 60.5 -74.6 -28.8 -4.6 -39.6 1.9 37 53 A M H < S+ 0 0 37 -4,-2.4 3,-0.3 1,-0.2 4,-0.3 0.926 110.8 41.9 -58.1 -45.3 -4.2 -40.5 -1.8 38 54 A E H < S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.810 116.1 48.0 -73.0 -32.3 -0.5 -41.4 -1.0 39 55 A L H < S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.547 87.1 89.0 -85.9 -6.1 -1.3 -43.2 2.3 40 56 A M S < S+ 0 0 45 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.1 0.826 100.3 16.4 -60.0 -34.2 -4.1 -45.2 0.7 41 57 A A S S- 0 0 37 -3,-0.5 4,-0.2 -4,-0.3 -1,-0.2 -0.995 86.7 -99.7-141.3 146.7 -1.7 -48.0 -0.3 42 58 A P S S+ 0 0 31 0, 0.0 427,-0.1 0, 0.0 -3,-0.0 -0.253 88.7 47.1 -56.0 148.6 1.9 -49.1 0.6 43 59 A G S S- 0 0 16 427,-0.3 2,-0.6 26,-0.0 -2,-0.2 0.117 96.6 -85.6 88.9 149.8 4.6 -48.0 -1.8 44 60 A V + 0 0 5 28,-0.2 28,-0.1 1,-0.2 425,-0.1 -0.826 54.7 154.1 -96.4 123.8 4.9 -44.5 -3.2 45 61 A Q S S+ 0 0 34 -2,-0.6 22,-2.3 -4,-0.2 3,-0.2 0.595 72.3 29.9-117.8 -23.0 2.8 -43.9 -6.3 46 62 A F S S+ 0 0 14 20,-0.2 2,-1.7 1,-0.1 19,-0.2 0.793 103.9 65.4-110.4 -42.9 2.2 -40.1 -6.3 47 63 A M S S+ 0 0 1 421,-0.1 28,-2.8 25,-0.1 2,-0.4 -0.496 70.7 161.8 -92.4 70.4 5.1 -38.3 -4.7 48 64 A a B > -A 74 0A 4 -2,-1.7 3,-1.8 26,-0.2 4,-0.3 -0.727 46.4-140.1 -95.5 133.8 7.7 -39.2 -7.3 49 65 A A G >> S+ 0 0 33 24,-3.0 3,-1.8 -2,-0.4 4,-0.6 0.796 100.5 74.0 -55.7 -30.3 11.1 -37.4 -7.8 50 66 A E G 34 S+ 0 0 81 1,-0.3 3,-0.4 23,-0.2 -1,-0.3 0.739 86.5 61.9 -57.3 -25.2 10.4 -37.8 -11.5 51 67 A H G X4 S+ 0 0 25 -3,-1.8 3,-1.0 1,-0.2 -1,-0.3 0.708 89.7 69.5 -76.3 -20.2 7.8 -35.1 -11.3 52 68 A L T <4 S+ 0 0 97 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.858 88.9 62.7 -63.2 -37.7 10.4 -32.6 -10.2 53 69 A E T 3< S+ 0 0 101 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.579 95.8 73.4 -66.8 -13.2 12.1 -32.6 -13.7 54 70 A S S < S- 0 0 38 -3,-1.0 -3,-0.0 1,-0.2 2,-0.0 -0.363 99.8 -84.5 -86.4 176.7 8.8 -31.2 -15.2 55 71 A G > - 0 0 48 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.235 45.4 -97.9 -70.8 171.7 7.6 -27.6 -14.8 56 72 A L H > S+ 0 0 90 2,-0.2 4,-1.6 3,-0.2 5,-0.1 0.942 123.2 39.4 -54.9 -50.3 5.7 -26.5 -11.7 57 73 A V H > S+ 0 0 105 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.952 120.2 41.6 -70.7 -51.2 2.3 -26.8 -13.5 58 74 A K H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 115.3 53.9 -62.4 -38.9 2.9 -30.0 -15.5 59 75 A G H X S+ 0 0 10 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.837 105.3 54.7 -61.2 -37.2 4.6 -31.5 -12.4 60 76 A F H >< S+ 0 0 109 -4,-1.6 3,-0.5 -5,-0.2 4,-0.3 0.964 110.4 43.5 -59.7 -55.7 1.5 -30.7 -10.4 61 77 A F H >< S+ 0 0 127 -4,-1.8 3,-0.8 1,-0.2 4,-0.2 0.796 110.5 55.3 -66.5 -31.3 -0.9 -32.6 -12.7 62 78 A Q H >< S+ 0 0 87 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.825 102.5 57.6 -67.3 -32.1 1.5 -35.6 -13.1 63 79 A S T << S+ 0 0 11 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.520 95.7 64.2 -80.8 -4.5 1.6 -36.0 -9.3 64 80 A L T < S+ 0 0 67 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.481 94.8 70.4 -92.0 -6.1 -2.2 -36.4 -9.1 65 81 A W S < S- 0 0 196 -3,-1.1 2,-0.1 -4,-0.2 0, 0.0 -0.922 90.2-114.8-112.6 134.6 -2.0 -39.6 -11.1 66 82 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.395 27.2-158.4 -73.2 146.5 -0.6 -42.8 -9.6 67 83 A S - 0 0 37 -22,-2.3 2,-0.2 -4,-0.1 5,-0.1 -0.796 28.9 -96.4-111.8 159.9 2.6 -44.3 -11.0 68 84 A A > - 0 0 40 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.526 37.7-117.3 -65.1 141.4 3.9 -47.9 -10.8 69 85 A V G > S+ 0 0 30 1,-0.3 3,-2.4 2,-0.2 -1,-0.1 0.905 115.3 60.7 -46.2 -48.1 6.4 -48.2 -7.9 70 86 A E G 3 S+ 0 0 137 1,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.632 109.8 42.4 -58.2 -16.1 9.2 -49.1 -10.5 71 87 A N G < S+ 0 0 109 -3,-2.1 2,-0.5 1,-0.1 -1,-0.3 0.239 103.1 79.1-111.1 11.5 8.6 -45.7 -12.2 72 88 A a < - 0 0 1 -3,-2.4 -28,-0.2 -4,-0.2 -1,-0.1 -0.885 60.0-159.7-133.0 100.6 8.4 -43.6 -9.0 73 89 A T - 0 0 35 -2,-0.5 -24,-3.0 1,-0.1 -23,-0.2 -0.685 38.3-111.7 -77.3 116.7 11.4 -42.5 -6.9 74 90 A P B -A 48 0A 14 0, 0.0 2,-0.8 0, 0.0 -26,-0.2 -0.269 26.8-159.8 -54.9 124.2 10.0 -41.8 -3.4 75 91 A N >> + 0 0 5 -28,-2.8 4,-1.2 1,-0.1 3,-0.7 -0.774 14.3 175.7-105.4 85.0 10.2 -38.0 -2.7 76 92 A G H 3> S+ 0 0 2 -2,-0.8 4,-2.1 1,-0.2 5,-0.2 0.760 74.0 65.5 -58.4 -27.8 10.0 -37.8 1.1 77 93 A H H 3> S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 97.7 52.5 -67.2 -40.8 10.6 -34.1 1.1 78 94 A L H <> S+ 0 0 50 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.930 108.5 51.5 -60.9 -42.7 7.2 -33.4 -0.7 79 95 A W H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 5,-0.2 0.962 111.2 47.2 -53.2 -52.5 5.4 -35.5 1.9 80 96 A N H X S+ 0 0 5 -4,-2.1 4,-1.7 1,-0.2 75,-0.5 0.854 111.3 51.6 -63.3 -35.7 7.1 -33.5 4.7 81 97 A V H X S+ 0 0 10 -4,-2.5 4,-2.7 72,-0.2 -1,-0.2 0.921 110.9 47.7 -63.3 -45.3 6.2 -30.2 3.0 82 98 A M H X S+ 0 0 22 -4,-2.6 4,-3.5 2,-0.2 -2,-0.2 0.931 111.9 49.2 -61.3 -49.9 2.5 -31.1 2.6 83 99 A I H X S+ 0 0 24 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.879 113.8 46.1 -55.8 -42.5 2.2 -32.2 6.2 84 100 A T H X S+ 0 0 6 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.914 113.9 48.4 -71.0 -43.2 3.8 -29.0 7.4 85 101 A G H X S+ 0 0 9 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.944 112.0 49.9 -60.7 -50.5 1.6 -26.9 5.1 86 102 A H H X S+ 0 0 26 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.936 115.6 42.0 -50.0 -56.0 -1.5 -28.7 6.2 87 103 A G H X S+ 0 0 11 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.881 115.7 47.5 -64.3 -43.7 -0.7 -28.3 9.9 88 104 A I H X>S+ 0 0 10 -4,-2.7 4,-2.1 2,-0.2 5,-0.7 0.960 112.3 49.1 -66.1 -51.7 0.5 -24.7 9.7 89 105 A L H X5S+ 0 0 3 -4,-2.6 4,-1.7 -5,-0.2 5,-0.3 0.929 115.9 44.3 -51.2 -47.2 -2.5 -23.5 7.6 90 106 A M H X>S+ 0 0 38 -4,-2.1 5,-1.5 -5,-0.3 4,-0.8 0.947 117.0 42.8 -66.0 -47.7 -5.0 -25.2 10.0 91 107 A M H <5S+ 0 0 14 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.698 132.4 16.9 -77.5 -21.0 -3.4 -24.1 13.3 92 108 A F H <5S+ 0 0 12 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.664 133.0 32.2-119.0 -28.8 -2.7 -20.4 12.4 93 109 A F H <>S+ 0 0 10 -6,-0.4 4,-2.0 2,-0.2 5,-1.6 0.957 113.3 52.3 -69.9 -49.2 -8.8 -19.5 14.9 97 113 A P H 4>S+ 0 0 10 0, 0.0 5,-0.6 0, 0.0 -1,-0.2 0.879 117.2 41.3 -49.7 -35.5 -9.4 -16.9 12.2 98 114 A A H <>S+ 0 0 6 -4,-1.5 5,-1.9 3,-0.2 -2,-0.2 0.919 123.5 33.7 -82.2 -45.6 -12.8 -18.4 11.7 99 115 A L H <>S+ 0 0 1 -4,-3.0 5,-1.6 3,-0.2 -3,-0.2 0.964 135.0 22.3 -72.1 -53.9 -14.0 -19.0 15.3 100 116 A F T <>S+ 0 0 8 -4,-2.0 5,-0.9 -5,-0.3 4,-0.1 0.967 134.5 34.0 -82.2 -61.1 -12.3 -16.0 17.0 101 117 A G T XS+ 0 0 0 -5,-1.9 4,-2.8 2,-0.2 5,-0.6 0.826 125.1 60.7 -66.1 -33.1 -17.8 -15.4 14.9 104 120 A G H >>>S+ 0 0 0 0, 0.0 5,-2.8 0, 0.0 4,-0.7 0.942 114.8 47.5 -56.1 -45.6 -20.3 -7.2 20.4 110 126 A L H ><5S+ 0 0 0 -4,-0.6 3,-0.5 1,-0.2 -2,-0.2 0.859 108.5 56.1 -62.1 -36.6 -23.9 -8.0 19.7 111 127 A H H 3<5S+ 0 0 1 -4,-2.7 411,-0.3 1,-0.2 -1,-0.2 0.787 114.6 37.7 -63.9 -31.4 -24.0 -10.4 22.6 112 128 A I H <<5S- 0 0 0 -4,-1.4 89,-2.7 -3,-0.6 -1,-0.2 0.366 114.4-111.0-105.7 0.8 -22.9 -7.7 25.1 113 129 A G T <<5 + 0 0 7 -4,-0.7 -3,-0.2 -3,-0.5 -2,-0.1 0.802 64.7 151.2 74.6 31.1 -24.9 -4.9 23.5 114 130 A A < - 0 0 0 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.745 45.9-141.9 -94.5 144.0 -21.8 -3.0 22.2 115 131 A P S S- 0 0 60 0, 0.0 419,-0.5 0, 0.0 2,-0.3 0.825 76.0 -27.1 -73.0 -34.9 -22.1 -0.9 19.1 116 132 A D S S- 0 0 33 83,-0.1 2,-0.1 -7,-0.1 -107,-0.1 -0.930 83.9 -64.5-164.4 174.6 -18.7 -1.8 17.7 117 133 A M - 0 0 3 -2,-0.3 75,-0.1 -109,-0.2 6,-0.1 -0.488 49.1-114.5 -70.9 146.3 -15.2 -3.0 18.8 118 134 A A S S+ 0 0 28 73,-0.5 -1,-0.1 1,-0.3 74,-0.1 0.784 110.9 32.4 -50.1 -34.4 -13.2 -0.5 21.0 119 135 A F >> + 0 0 74 1,-0.1 4,-1.6 72,-0.1 3,-0.7 -0.590 69.4 174.0-129.5 70.7 -10.6 -0.1 18.2 120 136 A P H 3> S+ 0 0 23 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.803 79.8 47.3 -50.9 -43.5 -12.2 -0.5 14.8 121 137 A R H 3> S+ 0 0 143 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.853 109.6 55.2 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322 A A H X S+ 0 0 38 -4,-3.6 4,-3.2 1,-0.2 3,-0.5 0.957 113.1 45.6 -54.1 -58.5 -10.0 -23.0 35.2 307 323 A I H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.887 110.5 55.9 -49.9 -48.1 -9.1 -24.7 31.8 308 324 A G H < S+ 0 0 1 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.873 116.0 35.0 -54.1 -41.8 -7.8 -21.4 30.5 309 325 A V H >< S+ 0 0 102 -4,-2.0 3,-1.4 -3,-0.5 -2,-0.2 0.900 115.7 52.2 -85.7 -43.8 -5.3 -21.0 33.3 310 326 A L H >< S+ 0 0 54 -4,-3.2 3,-1.8 1,-0.3 -2,-0.2 0.742 93.5 75.8 -62.6 -24.0 -4.4 -24.6 33.9 311 327 A G T 3< S+ 0 0 3 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 0.381 88.4 62.3 -68.9 6.6 -3.6 -24.9 30.2 312 328 A F T < S+ 0 0 22 -3,-1.4 -1,-0.3 -44,-0.1 -2,-0.2 0.478 100.7 48.4-107.9 -4.5 -0.4 -23.0 31.0 313 329 A V S < S+ 0 0 52 -3,-1.8 -2,-0.1 -4,-0.1 22,-0.1 0.014 99.3 65.4-124.3 24.9 1.1 -25.6 33.3 314 330 A V > + 0 0 1 -50,-0.1 3,-1.9 -3,-0.1 4,-0.1 0.453 59.6 114.4-123.1 -3.4 0.7 -28.8 31.3 315 331 A W G > + 0 0 55 1,-0.3 3,-2.1 2,-0.1 -2,-0.1 0.746 63.0 68.3 -49.3 -40.4 3.0 -28.2 28.2 316 332 A A G > S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.466 73.2 86.9 -72.8 3.0 5.6 -30.9 28.8 317 333 A H G < S+ 0 0 36 -3,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.625 85.9 60.0 -69.4 -11.1 3.1 -33.8 28.2 318 334 A H G < S+ 0 0 47 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.268 106.5 49.1 -88.7 8.7 4.2 -33.2 24.5 319 335 A M X + 0 0 1 -3,-1.6 3,-1.7 1,-0.1 5,-0.3 0.113 62.3 126.1-140.3 17.8 7.7 -34.0 25.7 320 336 A Y T 3 S+ 0 0 1 -3,-0.4 4,-0.3 1,-0.3 3,-0.2 0.746 88.4 35.7 -54.2 -26.9 7.5 -37.3 27.7 321 337 A T T 3 S+ 0 0 0 1,-0.1 415,-2.4 2,-0.1 -1,-0.3 0.290 91.1 90.8-113.0 8.1 10.2 -38.9 25.4 322 338 A A S < S- 0 0 2 -3,-1.7 -1,-0.1 413,-0.1 -2,-0.1 0.469 115.3 -84.9 -82.0 -2.2 12.3 -35.8 24.8 323 339 A G S S+ 0 0 23 -4,-0.3 2,-0.3 -3,-0.2 -2,-0.1 0.858 70.3 161.9 98.5 48.3 14.4 -36.7 27.9 324 340 A L - 0 0 11 -4,-0.3 -1,-0.2 -5,-0.3 2,-0.0 -0.708 41.5-104.8 -91.6 151.7 12.6 -35.3 30.9 325 341 A S > - 0 0 58 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.274 29.5-107.1 -70.8 160.3 13.4 -36.6 34.4 326 342 A L H > S+ 0 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116.3 45.7-110.3 -16.8 24.8 -40.8 71.6 989 215 C M < + 0 0 60 -4,-1.3 2,-0.5 -5,-0.4 -1,-0.1 0.061 67.7 130.9-127.2 24.9 25.1 -44.2 69.9 990 216 C R - 0 0 77 -4,-0.2 -87,-0.2 -3,-0.1 3,-0.1 -0.698 65.1-108.6 -75.8 126.1 26.9 -46.4 72.4 991 217 C A > - 0 0 37 -89,-1.9 3,-1.7 -2,-0.5 2,-0.1 -0.115 45.6 -85.1 -48.3 146.6 25.0 -49.7 72.8 992 218 C P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.395 119.2 27.7 -59.0 132.8 23.1 -50.2 76.2 993 219 C G T 3 S+ 0 0 78 1,-0.1 2,-2.1 -3,-0.1 -2,-0.1 -0.023 87.2 113.9 100.2 -28.6 25.5 -51.6 78.8 994 220 C M < - 0 0 38 -3,-1.7 -1,-0.1 -92,-0.1 5,-0.1 -0.555 55.3-170.5 -72.6 77.7 28.5 -50.0 77.1 995 221 C T > - 0 0 88 -2,-2.1 3,-2.0 1,-0.1 4,-0.5 -0.330 34.7-107.6 -71.8 157.0 29.1 -47.6 80.0 996 222 C M G > S+ 0 0 45 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.856 120.8 52.4 -55.4 -40.7 31.7 -44.8 79.6 997 223 C H G 3 S+ 0 0 81 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.163 109.1 52.9 -82.2 18.9 34.2 -46.6 81.9 998 224 C K G < S+ 0 0 54 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.352 77.1 116.7-128.8 -3.5 33.9 -49.7 79.8 999 225 C V S < S- 0 0 0 -3,-0.9 -97,-0.1 -4,-0.5 5,-0.1 -0.496 74.1-104.6 -68.9 133.4 34.6 -48.3 76.3 1000 226 C P > - 0 0 18 0, 0.0 4,-1.5 0, 0.0 3,-0.3 -0.239 28.1-112.6 -63.1 153.1 37.8 -49.8 74.7 1001 227 C L H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 69,-0.2 0.768 112.2 56.7 -63.6 -33.0 40.9 -47.6 74.6 1002 228 C F H > S+ 0 0 0 68,-0.3 4,-2.6 2,-0.2 5,-0.2 0.952 105.5 51.5 -60.9 -49.9 41.1 -47.1 70.9 1003 229 C A H > S+ 0 0 0 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.899 112.0 48.2 -52.5 -44.6 37.6 -45.6 70.8 1004 230 C W H X S+ 0 0 35 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.918 108.9 52.3 -59.4 -49.0 38.7 -43.2 73.6 1005 231 C S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.872 111.5 47.1 -57.5 -40.5 41.9 -42.3 71.7 1006 232 C I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.868 112.0 52.5 -66.3 -36.7 39.7 -41.5 68.6 1007 233 C F H X S+ 0 0 25 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.927 110.6 44.4 -67.8 -48.8 37.4 -39.5 70.9 1008 234 C V H >X S+ 0 0 10 -4,-3.0 4,-2.0 2,-0.2 3,-0.8 0.944 111.6 54.5 -59.6 -51.0 40.1 -37.3 72.5 1009 235 C T H 3X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.3 5,-0.2 0.906 103.5 56.7 -44.8 -50.2 41.7 -36.7 69.1 1010 236 C A H 3X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -1,-0.3 0.816 106.0 49.9 -57.3 -34.5 38.3 -35.5 67.8 1011 237 C W H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.2 3,-0.5 0.948 105.3 51.3 -68.1 -55.8 42.9 -26.7 66.7 1017 243 C L H 3X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.811 105.5 54.1 -63.2 -38.3 41.8 -26.8 63.1 1018 244 C P H 3> S+ 0 0 60 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.886 108.1 52.6 -58.2 -38.3 39.5 -23.6 63.2 1019 245 C V H X S+ 0 0 29 -4,-1.7 4,-2.5 2,-0.2 3,-1.6 0.996 110.5 50.1 -56.1 -65.6 42.2 -18.3 60.8 1023 249 C A H 3X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.3 -2,-0.2 0.824 112.7 45.0 -41.1 -51.4 46.0 -18.3 60.3 1024 250 C I H 3X S+ 0 0 2 -4,-2.7 4,-1.3 2,-0.2 -1,-0.3 0.676 110.7 54.1 -76.6 -16.9 46.0 -19.4 56.7 1025 251 C T H > - 0 0 39 -3,-0.4 5,-3.1 6,-0.2 3,-1.1 -0.919 57.8-156.1-107.8 118.3 53.9 -7.2 57.2 1040 266 C P G > 5S+ 0 0 46 0, 0.0 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