==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JAN-09 3FYI . COMPND 2 MOLECULE: CYTOCHROME C OXIDASE SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR L.QIN,D.A.MILLS,D.A.PROSHLYAKOV,C.HISER,S.FERGUSON-MILLER . 1578 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1192 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 2.5 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 . 54 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 10.3 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 . 36 2.3 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 3 0 4 0 2 4 2 0 0 2 0 0 0 2 1 2 1 1 0 2 0 0 1 0 4 12 RESIDUES PER ALPHA HELIX . 3 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 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 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 0 226 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 26.7 -16.9 -4.2 -3.7 2 18 A T + 0 0 101 2,-0.1 4,-0.3 1,-0.1 3,-0.1 0.183 360.0 78.9-118.7 5.2 -13.3 -3.3 -2.6 3 19 A R S S+ 0 0 229 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.154 79.8 75.6 -87.6 10.9 -14.8 -1.1 0.2 4 20 A W S > S+ 0 0 92 2,-0.1 3,-0.8 1,-0.1 -1,-0.2 0.848 95.0 44.6 -79.4 -44.1 -15.3 -4.5 1.9 5 21 A F T 3 S+ 0 0 68 1,-0.2 -2,-0.2 -3,-0.1 123,-0.1 0.642 111.5 52.2 -79.5 -19.3 -11.6 -4.8 2.7 6 22 A M T 3 S+ 0 0 121 -4,-0.3 -1,-0.2 2,-0.0 -2,-0.1 0.360 85.1 118.3 -97.1 4.0 -11.3 -1.2 4.0 7 23 A S < - 0 0 22 -3,-0.8 -3,-0.1 1,-0.1 -4,-0.0 -0.401 45.5-167.7 -74.7 148.4 -14.3 -1.5 6.3 8 24 A T + 0 0 66 -2,-0.1 2,-0.2 115,-0.1 115,-0.1 0.457 49.5 116.6-114.3 -6.6 -13.8 -1.1 10.1 9 25 A N > - 0 0 20 1,-0.1 4,-2.2 107,-0.1 3,-0.5 -0.463 68.2-131.9 -69.6 131.8 -17.1 -2.4 11.2 10 26 A H H > S+ 0 0 0 1,-0.2 4,-2.8 -2,-0.2 -1,-0.1 0.802 105.9 54.6 -53.4 -35.0 -16.9 -5.6 13.3 11 27 A K H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 110.2 44.8 -67.8 -44.1 -19.6 -7.3 11.2 12 28 A D H > S+ 0 0 50 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.841 114.8 48.7 -66.9 -37.1 -17.8 -6.7 7.9 13 29 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 109.2 53.2 -69.8 -46.3 -14.5 -7.8 9.5 14 30 A G H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.914 109.8 48.5 -47.1 -50.0 -16.2 -11.0 10.9 15 31 A V H X S+ 0 0 26 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.875 109.9 51.1 -63.5 -41.7 -17.5 -11.8 7.4 16 32 A L H X S+ 0 0 12 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.919 110.6 49.3 -61.9 -45.4 -14.0 -11.3 5.8 17 33 A Y H X S+ 0 0 8 -4,-2.5 4,-3.0 84,-0.3 85,-0.2 0.890 111.6 49.4 -58.8 -42.6 -12.4 -13.6 8.4 18 34 A L H X S+ 0 0 26 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.921 114.4 43.0 -65.6 -48.1 -15.0 -16.3 7.8 19 35 A F H X S+ 0 0 116 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.871 117.2 47.1 -63.9 -39.4 -14.7 -16.3 4.1 20 36 A T H X S+ 0 0 23 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.944 111.9 50.0 -71.5 -46.9 -10.9 -16.1 4.2 21 37 A G H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.869 110.8 51.2 -53.7 -43.0 -10.7 -18.9 6.8 22 38 A G H X S+ 0 0 30 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.862 111.0 47.2 -64.1 -38.3 -13.0 -21.0 4.6 23 39 A L H X S+ 0 0 104 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.916 115.1 44.0 -72.9 -43.0 -10.8 -20.5 1.5 24 40 A V H X S+ 0 0 5 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.897 111.3 57.2 -64.5 -39.6 -7.6 -21.3 3.4 25 41 A G H X S+ 0 0 7 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.892 104.2 51.7 -54.5 -45.1 -9.5 -24.2 4.9 26 42 A L H X S+ 0 0 52 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.870 109.8 49.0 -59.1 -43.1 -10.2 -25.5 1.4 27 43 A I H X S+ 0 0 64 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.943 114.2 45.0 -61.9 -48.5 -6.5 -25.3 0.5 28 44 A S H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.872 112.1 51.0 -66.4 -39.4 -5.4 -27.2 3.6 29 45 A V H X S+ 0 0 31 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.897 106.6 56.3 -61.0 -40.9 -8.2 -29.8 3.2 30 46 A A H X S+ 0 0 43 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.892 103.7 53.7 -58.4 -41.9 -7.0 -30.3 -0.4 31 47 A F H X S+ 0 0 30 -4,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.901 106.4 52.5 -54.3 -47.3 -3.5 -31.1 1.0 32 48 A T H X S+ 0 0 30 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.827 106.4 53.3 -63.0 -32.6 -5.0 -33.7 3.3 33 49 A V H X S+ 0 0 18 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.931 111.6 44.7 -64.3 -47.4 -6.7 -35.3 0.2 34 50 A Y H X S+ 0 0 18 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.928 113.4 51.9 -61.4 -45.2 -3.3 -35.5 -1.5 35 51 A M H X S+ 0 0 22 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.914 111.2 46.6 -52.8 -48.1 -1.8 -36.8 1.7 36 52 A R H X S+ 0 0 13 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.757 106.0 59.3 -75.3 -21.7 -4.5 -39.5 2.0 37 53 A M H < S+ 0 0 38 -4,-1.9 4,-0.4 2,-0.2 3,-0.4 0.937 110.1 42.8 -62.0 -48.0 -4.1 -40.4 -1.7 38 54 A E H >< S+ 0 0 1 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.889 117.1 47.1 -67.6 -38.7 -0.4 -41.3 -0.9 39 55 A L H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.621 87.7 88.3 -77.5 -10.7 -1.3 -43.0 2.3 40 56 A M T 3< S+ 0 0 45 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.1 0.844 101.0 17.6 -56.7 -35.4 -4.1 -45.1 0.7 41 57 A A S < S- 0 0 37 -3,-0.6 4,-0.1 -4,-0.4 -1,-0.1 -0.986 86.7-102.7-138.6 147.5 -1.7 -47.9 -0.3 42 58 A P S S+ 0 0 30 0, 0.0 427,-0.1 0, 0.0 2,-0.0 -0.292 88.5 49.5 -65.9 154.9 1.9 -49.0 0.8 43 59 A G S S- 0 0 17 427,-0.3 2,-0.5 26,-0.0 -2,-0.2 0.120 97.8 -86.2 86.8 147.9 4.7 -48.0 -1.7 44 60 A V + 0 0 5 28,-0.2 28,-0.1 1,-0.1 425,-0.1 -0.818 55.0 155.3 -94.1 127.7 5.0 -44.5 -3.0 45 61 A Q S S+ 0 0 33 -2,-0.5 22,-2.5 -4,-0.1 3,-0.2 0.591 70.6 29.8-123.2 -24.2 2.9 -43.8 -6.1 46 62 A F S S+ 0 0 14 20,-0.2 2,-1.6 1,-0.2 19,-0.1 0.794 104.1 64.4-111.2 -44.1 2.3 -40.0 -6.2 47 63 A M S S+ 0 0 0 421,-0.1 28,-2.5 25,-0.1 2,-0.4 -0.544 71.1 162.4 -91.2 71.0 5.2 -38.1 -4.6 48 64 A a B > -A 74 0A 3 -2,-1.6 3,-1.4 26,-0.2 4,-0.3 -0.749 46.6-136.9 -94.1 134.5 7.8 -39.2 -7.2 49 65 A A G > S+ 0 0 30 24,-3.4 3,-1.9 -2,-0.4 4,-0.4 0.821 102.1 71.7 -55.6 -32.9 11.2 -37.4 -7.5 50 66 A E G > S+ 0 0 77 1,-0.3 3,-1.1 23,-0.2 4,-0.3 0.768 84.6 65.9 -53.8 -31.7 10.6 -37.7 -11.3 51 67 A H G X S+ 0 0 24 -3,-1.4 3,-0.8 1,-0.2 -1,-0.3 0.684 88.5 69.1 -67.4 -17.9 7.8 -35.0 -11.2 52 68 A L G < S+ 0 0 96 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.779 86.6 65.4 -69.8 -28.3 10.4 -32.4 -10.2 53 69 A E G < S+ 0 0 182 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.613 95.9 69.4 -71.6 -14.6 12.0 -32.5 -13.7 54 70 A S S < S- 0 0 40 -3,-0.8 -3,-0.0 -4,-0.3 0, 0.0 -0.153 100.6 -76.3 -85.2-172.2 8.8 -31.0 -15.2 55 71 A G > - 0 0 40 1,-0.1 4,-2.0 -2,-0.1 -1,-0.2 -0.134 44.1-102.2 -72.2 179.3 7.5 -27.5 -14.7 56 72 A L H > S+ 0 0 115 2,-0.2 4,-1.4 3,-0.2 -1,-0.1 0.899 126.8 36.9 -68.5 -41.9 5.7 -26.3 -11.6 57 73 A V H > S+ 0 0 101 2,-0.2 4,-1.8 3,-0.1 5,-0.2 0.929 121.0 44.7 -74.4 -48.8 2.4 -26.6 -13.4 58 74 A K H > S+ 0 0 149 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.908 114.1 50.7 -62.6 -43.9 3.3 -29.8 -15.4 59 75 A G H X S+ 0 0 8 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.881 107.1 56.1 -57.6 -42.4 4.8 -31.4 -12.2 60 76 A F H < S+ 0 0 110 -4,-1.4 4,-0.2 1,-0.2 -2,-0.2 0.936 109.9 42.5 -54.1 -54.6 1.6 -30.6 -10.3 61 77 A F H >< S+ 0 0 129 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.791 112.1 53.4 -70.2 -30.2 -0.7 -32.4 -12.7 62 78 A Q H >< S+ 0 0 85 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.831 101.9 61.0 -69.2 -33.5 1.6 -35.5 -13.1 63 79 A S T 3< S+ 0 0 12 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.505 94.9 62.9 -75.2 -4.2 1.7 -35.8 -9.3 64 80 A L T < S+ 0 0 66 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.465 93.7 69.9 -97.5 -6.6 -2.1 -36.4 -9.1 65 81 A W S < S- 0 0 200 -3,-1.3 2,-0.1 -4,-0.2 -1,-0.0 -0.948 90.2-113.7-114.4 133.1 -2.0 -39.6 -11.2 66 82 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.392 27.3-158.1 -72.9 141.2 -0.4 -42.7 -9.6 67 83 A S - 0 0 36 -22,-2.5 5,-0.1 -2,-0.1 2,-0.0 -0.804 29.7 -96.1-107.0 154.6 2.8 -44.3 -11.0 68 84 A A > - 0 0 47 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.401 38.1-115.4 -59.0 145.5 4.1 -47.8 -10.7 69 85 A V G > S+ 0 0 41 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.877 116.9 60.7 -51.4 -42.1 6.6 -48.1 -7.8 70 86 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.647 110.3 41.4 -60.9 -19.5 9.3 -48.9 -10.4 71 87 A N G < S+ 0 0 98 -3,-1.7 2,-0.6 1,-0.1 -1,-0.3 0.307 103.0 80.0-108.8 3.9 8.7 -45.5 -12.0 72 88 A a < - 0 0 1 -3,-1.7 -28,-0.2 -4,-0.3 -1,-0.1 -0.884 59.2-163.0-123.0 99.9 8.4 -43.6 -8.8 73 89 A T - 0 0 34 -2,-0.6 -24,-3.4 1,-0.1 -23,-0.2 -0.725 38.7-113.4 -75.5 114.6 11.5 -42.5 -6.9 74 90 A P B -A 48 0A 14 0, 0.0 2,-0.6 0, 0.0 -26,-0.2 -0.241 25.9-158.6 -58.7 131.4 10.1 -41.7 -3.4 75 91 A N >> + 0 0 4 -28,-2.5 4,-1.2 1,-0.1 3,-0.8 -0.801 14.3 176.3-111.1 87.7 10.3 -38.0 -2.5 76 92 A G H 3> S+ 0 0 2 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.775 76.0 66.6 -58.2 -30.1 10.1 -37.8 1.3 77 93 A H H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 97.9 51.9 -61.7 -41.8 10.6 -34.0 1.2 78 94 A L H <> S+ 0 0 48 -3,-0.8 4,-2.7 2,-0.2 5,-0.2 0.940 108.4 50.6 -61.9 -46.5 7.3 -33.4 -0.6 79 95 A W H X S+ 0 0 1 -4,-1.2 4,-2.4 1,-0.2 5,-0.2 0.950 111.9 48.1 -51.0 -52.7 5.4 -35.4 2.1 80 96 A N H X S+ 0 0 4 -4,-2.2 4,-1.7 1,-0.2 75,-0.5 0.846 111.8 49.5 -61.1 -40.4 7.1 -33.4 4.9 81 97 A V H X S+ 0 0 9 -4,-2.4 4,-2.6 72,-0.2 -1,-0.2 0.894 111.1 49.7 -62.1 -44.5 6.3 -30.1 3.1 82 98 A M H X S+ 0 0 24 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.921 113.0 44.2 -64.7 -47.3 2.6 -31.0 2.6 83 99 A I H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.875 114.3 49.7 -69.7 -34.2 2.0 -32.1 6.2 84 100 A T H X S+ 0 0 6 -4,-1.7 4,-2.6 -5,-0.2 5,-0.2 0.921 113.5 47.7 -65.3 -45.9 3.9 -29.0 7.6 85 101 A G H X S+ 0 0 9 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.924 112.0 49.7 -57.3 -48.8 1.7 -26.9 5.2 86 102 A H H X S+ 0 0 25 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.947 114.8 43.6 -55.9 -52.4 -1.4 -28.7 6.3 87 103 A G H X S+ 0 0 13 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.910 115.1 47.0 -62.9 -47.3 -0.6 -28.2 10.1 88 104 A I H X>S+ 0 0 14 -4,-2.6 4,-2.3 2,-0.2 5,-0.7 0.935 112.5 49.1 -62.0 -49.5 0.5 -24.6 9.8 89 105 A L H X5S+ 0 0 4 -4,-2.3 4,-1.8 -5,-0.2 5,-0.4 0.941 116.1 43.9 -53.4 -49.7 -2.5 -23.4 7.7 90 106 A M H X>S+ 0 0 38 -4,-2.2 5,-1.4 -5,-0.3 4,-0.7 0.926 118.4 41.7 -62.7 -47.3 -5.0 -25.1 10.1 91 107 A M H <5S+ 0 0 12 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.773 133.2 16.9 -79.1 -25.3 -3.4 -24.0 13.4 92 108 A F H <5S+ 0 0 12 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.728 132.7 31.6-114.4 -31.0 -2.6 -20.4 12.4 93 109 A F H <>S+ 0 0 12 -6,-0.4 4,-2.7 2,-0.2 5,-1.5 0.939 113.9 50.0 -70.1 -48.1 -8.9 -19.5 14.9 97 113 A P H 4>S+ 0 0 9 0, 0.0 5,-0.8 0, 0.0 -2,-0.2 0.863 115.2 45.6 -54.2 -36.8 -9.5 -16.8 12.2 98 114 A A H <>S+ 0 0 5 -4,-1.7 5,-2.0 3,-0.2 -2,-0.2 0.935 124.9 29.6 -70.6 -48.4 -12.9 -18.5 11.5 99 115 A L H <>S+ 0 0 1 -4,-2.7 5,-1.5 3,-0.2 -3,-0.2 0.929 135.8 23.5 -77.9 -52.0 -14.0 -18.8 15.2 100 116 A F T <>S+ 0 0 7 -4,-2.7 5,-0.9 -5,-0.3 -2,-0.1 0.942 133.4 35.0 -82.7 -57.1 -12.2 -15.9 16.9 101 117 A G T XS+ 0 0 0 -5,-2.0 4,-3.0 1,-0.2 5,-0.6 0.847 125.6 57.4 -62.8 -36.0 -17.7 -15.3 14.7 104 120 A G H >>S+ 0 0 0 0, 0.0 5,-2.4 0, 0.0 4,-0.6 0.909 114.3 50.6 -60.9 -37.9 -20.2 -7.1 20.3 110 126 A L H ><5S+ 0 0 0 -4,-0.5 3,-0.5 1,-0.2 -2,-0.2 0.877 108.7 52.1 -62.0 -39.7 -23.8 -8.1 19.5 111 127 A H H 3<5S+ 0 0 1 -4,-2.7 411,-0.3 1,-0.2 -1,-0.2 0.745 115.6 39.3 -70.1 -27.7 -24.0 -10.4 22.5 112 128 A I H 3<5S- 0 0 0 -4,-1.4 89,-2.3 -3,-0.3 -1,-0.2 0.378 114.0-111.8-103.8 0.9 -22.8 -7.7 25.0 113 129 A G T <<5 + 0 0 10 -4,-0.6 -3,-0.2 -3,-0.5 -2,-0.1 0.693 64.3 150.6 77.1 20.5 -24.8 -4.8 23.3 114 130 A A < - 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.667 46.5-141.9 -84.5 139.1 -21.7 -3.0 22.1 115 131 A P S S- 0 0 62 0, 0.0 419,-0.5 0, 0.0 2,-0.3 0.784 76.7 -28.8 -69.8 -27.9 -22.1 -0.9 18.9 116 132 A D S S- 0 0 29 83,-0.1 2,-0.1 -7,-0.1 -107,-0.1 -0.928 84.4 -62.5-168.6 179.3 -18.6 -1.9 17.6 117 133 A M - 0 0 3 -2,-0.3 75,-0.1 1,-0.1 74,-0.1 -0.487 49.4-112.1 -74.6 153.0 -15.1 -2.9 18.8 118 134 A A S S+ 0 0 22 73,-0.5 -1,-0.1 1,-0.3 73,-0.1 0.863 112.4 29.5 -50.4 -43.5 -13.1 -0.4 20.9 119 135 A F > + 0 0 65 1,-0.1 4,-1.9 2,-0.1 3,-0.5 -0.701 67.6 172.5-125.5 78.6 -10.5 0.0 18.2 120 136 A P H > S+ 0 0 26 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.780 81.4 52.3 -58.0 -34.3 -12.2 -0.5 14.7 121 137 A R H > S+ 0 0 159 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.860 109.2 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A I H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.908 111.0 52.9 -57.3 -47.5 -9.2 -24.5 31.8 308 324 A G H < S+ 0 0 4 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.868 115.1 40.1 -56.2 -41.2 -7.7 -21.3 30.6 309 325 A V H >< S+ 0 0 96 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.952 117.0 46.4 -75.5 -53.1 -5.5 -20.9 33.7 310 326 A L H >< S+ 0 0 50 -4,-3.1 3,-2.2 1,-0.3 -2,-0.2 0.760 95.7 77.5 -60.9 -27.5 -4.5 -24.6 34.1 311 327 A G T 3< S+ 0 0 3 -4,-2.1 -1,-0.3 1,-0.3 3,-0.3 0.548 88.1 60.7 -59.4 -8.3 -3.8 -24.7 30.3 312 328 A F T < S+ 0 0 24 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.428 101.9 49.8 -98.2 -0.0 -0.5 -22.9 31.1 313 329 A V S < S+ 0 0 50 -3,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.088 98.3 63.0-127.4 20.9 0.9 -25.6 33.4 314 330 A V > + 0 0 0 -3,-0.3 3,-1.8 21,-0.1 4,-0.2 0.372 61.5 114.3-122.7 0.9 0.5 -28.8 31.4 315 331 A W G > + 0 0 54 1,-0.3 3,-1.7 2,-0.1 -2,-0.1 0.733 64.2 66.7 -53.5 -33.9 2.8 -28.2 28.3 316 332 A A G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.508 74.3 84.2 -78.6 -1.8 5.4 -30.8 28.9 317 333 A H G < 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115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 110.1 46.1 -72.4 -45.7 9.8 -35.9 38.7 328 344 A Q H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.927 112.7 50.3 -61.0 -47.7 8.9 -33.6 35.8 329 345 A Q H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.900 111.8 48.8 -57.8 -43.7 7.0 -36.4 34.0 330 346 A S H X S+ 0 0 18 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.868 111.8 48.2 -65.2 -41.8 5.1 -37.2 37.2 331 347 A Y H X S+ 0 0 106 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.959 112.8 46.3 -62.4 -53.7 4.2 -33.5 37.9 332 348 A F H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.812 110.2 55.5 -64.2 -30.2 3.0 -32.8 34.3 333 349 A M H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.922 109.9 46.1 -61.9 -48.5 1.0 -36.1 34.4 334 350 A M H X S+ 0 0 89 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.944 113.5 48.0 -56.9 -54.8 -0.8 -34.9 37.6 335 351 A A H X S+ 0 0 10 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.869 110.7 52.3 -56.0 -42.1 -1.5 -31.4 36.2 336 352 A T H X S+ 0 0 16 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.885 107.9 50.5 -63.7 -42.0 -2.8 -32.9 32.9 337 353 A M H X S+ 0 0 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