==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-APR-06 2GSM . COMPND 2 MOLECULE: CYTOCHROME C OXIDASE SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR L.QIN,C.HISER,A.MULICHAK,R.M.GARAVITO,S.FERGUSON-MILLER . 1581 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1194 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 5.2 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 . 164 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 763 48.3 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 5 0 2 2 3 1 2 2 2 0 2 2 1 0 2 0 0 2 0 0 1 0 2 12 RESIDUES PER ALPHA HELIX . 4 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 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 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 0 187 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -80.3 -17.5 -3.6 -4.2 2 18 A T > + 0 0 99 1,-0.1 3,-0.9 2,-0.1 4,-0.2 0.428 360.0 78.4-117.1 -10.4 -13.9 -3.4 -3.1 3 19 A R T 3 + 0 0 188 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.242 67.4 93.2 -80.2 10.6 -14.5 -1.3 -0.0 4 20 A W T 3 S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.2 12,-0.1 0.722 90.2 45.5 -65.5 -20.6 -15.5 -4.6 1.6 5 21 A F S < S+ 0 0 77 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.594 107.3 53.4-105.0 -19.4 -11.9 -4.8 2.7 6 22 A M S S+ 0 0 127 -4,-0.2 -1,-0.2 2,-0.0 -2,-0.2 0.343 83.5 120.2 -97.7 6.2 -11.5 -1.2 3.9 7 23 A S - 0 0 25 -4,-0.3 -3,-0.0 1,-0.1 0, 0.0 -0.395 45.6-166.6 -74.6 147.4 -14.5 -1.5 6.3 8 24 A T + 0 0 65 -2,-0.1 2,-0.3 115,-0.1 115,-0.1 0.398 49.9 117.5-113.4 -2.3 -14.0 -1.0 10.0 9 25 A N > - 0 0 16 1,-0.1 4,-2.2 107,-0.1 3,-0.5 -0.520 67.8-132.2 -72.4 132.3 -17.4 -2.4 11.1 10 26 A H H > S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.756 105.6 54.8 -54.5 -30.1 -17.2 -5.5 13.3 11 27 A K H > S+ 0 0 12 2,-0.2 4,-2.0 521,-0.2 -1,-0.2 0.912 109.9 44.4 -73.3 -43.2 -19.8 -7.3 11.1 12 28 A D H > S+ 0 0 36 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.864 114.2 49.5 -66.2 -40.2 -17.9 -6.8 7.9 13 29 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.920 110.5 51.9 -61.8 -46.8 -14.6 -7.8 9.4 14 30 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.885 109.6 48.4 -56.5 -44.8 -16.3 -10.9 10.9 15 31 A V H X S+ 0 0 24 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.901 110.4 51.7 -63.9 -43.9 -17.7 -11.9 7.5 16 32 A L H X S+ 0 0 12 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.895 110.4 48.6 -59.5 -43.9 -14.2 -11.4 5.8 17 33 A Y H X S+ 0 0 9 -4,-2.5 4,-2.6 84,-0.3 5,-0.2 0.917 112.3 49.3 -61.9 -42.8 -12.6 -13.6 8.5 18 34 A L H X S+ 0 0 25 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.944 114.5 43.0 -63.5 -49.2 -15.2 -16.3 8.0 19 35 A F H X S+ 0 0 123 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.904 117.3 46.4 -61.8 -45.0 -15.0 -16.3 4.1 20 36 A T H X S+ 0 0 22 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.910 111.8 50.5 -66.4 -43.0 -11.1 -16.2 4.2 21 37 A G H X S+ 0 0 2 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.874 110.3 52.1 -61.8 -37.8 -10.9 -18.9 6.8 22 38 A G H X S+ 0 0 30 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.885 110.7 46.4 -64.0 -41.6 -13.2 -21.0 4.7 23 39 A L H X S+ 0 0 104 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.920 114.0 46.1 -72.5 -45.5 -11.1 -20.5 1.6 24 40 A V H X S+ 0 0 5 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.902 110.2 56.7 -60.0 -39.6 -7.8 -21.3 3.4 25 41 A G H X S+ 0 0 6 -4,-2.2 4,-3.1 -5,-0.3 -2,-0.2 0.914 104.8 51.5 -56.4 -44.1 -9.6 -24.3 4.9 26 42 A L H X S+ 0 0 51 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.918 110.9 48.3 -57.2 -46.6 -10.4 -25.5 1.4 27 43 A I H X S+ 0 0 64 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.940 113.7 45.6 -59.9 -48.3 -6.7 -25.2 0.4 28 44 A S H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.904 113.0 49.9 -67.1 -41.3 -5.6 -27.1 3.6 29 45 A V H X S+ 0 0 32 -4,-3.1 4,-1.6 -5,-0.2 -1,-0.2 0.900 106.5 56.1 -58.9 -42.8 -8.2 -29.8 3.1 30 46 A A H X S+ 0 0 42 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.913 104.2 54.5 -57.5 -41.0 -7.1 -30.2 -0.6 31 47 A F H X S+ 0 0 35 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.864 106.4 51.5 -54.6 -44.6 -3.6 -30.9 0.8 32 48 A T H X S+ 0 0 28 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.791 104.3 57.0 -68.0 -29.3 -5.0 -33.7 3.0 33 49 A V H X S+ 0 0 21 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.926 110.2 43.6 -62.5 -46.7 -6.7 -35.3 0.0 34 50 A Y H X S+ 0 0 17 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.925 112.5 53.9 -65.1 -44.9 -3.4 -35.5 -1.7 35 51 A M H X S+ 0 0 21 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.930 111.1 45.4 -48.8 -50.3 -1.8 -36.7 1.5 36 52 A R H X S+ 0 0 13 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.733 105.0 61.0 -75.8 -21.3 -4.4 -39.5 1.8 37 53 A M H >< S+ 0 0 37 -4,-1.7 3,-0.5 2,-0.2 4,-0.4 0.967 110.8 41.4 -60.9 -50.2 -4.0 -40.4 -1.9 38 54 A E H >< S+ 0 0 1 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.837 117.0 47.6 -65.3 -35.5 -0.3 -41.2 -1.1 39 55 A L H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.654 87.5 88.4 -81.4 -9.8 -1.2 -42.9 2.2 40 56 A M T << S+ 0 0 45 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 0.830 101.5 15.9 -58.2 -31.9 -4.0 -45.0 0.6 41 57 A A S < S- 0 0 38 -3,-0.5 4,-0.1 -4,-0.4 -1,-0.1 -0.997 85.9-102.3-143.5 146.3 -1.5 -47.7 -0.3 42 58 A P S S+ 0 0 25 0, 0.0 427,-0.1 0, 0.0 -3,-0.0 -0.240 88.3 50.0 -64.4 155.4 2.0 -48.8 0.7 43 59 A G S S- 0 0 17 427,-0.3 2,-0.5 26,-0.0 -2,-0.2 0.139 96.6 -88.4 84.8 146.4 4.8 -47.9 -1.8 44 60 A V + 0 0 4 28,-0.2 28,-0.1 1,-0.1 425,-0.1 -0.829 54.9 154.4 -93.4 125.8 5.1 -44.3 -3.2 45 61 A Q S S+ 0 0 32 -2,-0.5 22,-2.6 -4,-0.1 3,-0.1 0.560 71.4 31.3-124.2 -19.6 3.1 -43.7 -6.3 46 62 A F S S+ 0 0 15 20,-0.2 2,-1.6 1,-0.1 19,-0.1 0.785 104.0 64.5-112.4 -47.5 2.3 -40.0 -6.4 47 63 A M S S+ 0 0 0 421,-0.1 28,-2.5 25,-0.1 2,-0.4 -0.532 71.1 162.6 -89.0 72.2 5.2 -38.1 -4.8 48 64 A a B > -A 74 0A 4 -2,-1.6 3,-1.6 26,-0.2 4,-0.3 -0.765 46.5-138.4 -98.2 132.5 7.9 -39.0 -7.4 49 65 A A G > S+ 0 0 29 24,-3.4 3,-2.1 -2,-0.4 4,-0.3 0.802 101.2 73.4 -55.3 -30.0 11.2 -37.2 -7.7 50 66 A E G > S+ 0 0 82 1,-0.3 3,-1.0 23,-0.2 -1,-0.3 0.786 85.6 63.2 -56.7 -31.5 10.6 -37.6 -11.5 51 67 A H G X S+ 0 0 24 -3,-1.6 3,-1.0 1,-0.2 -1,-0.3 0.654 87.8 73.1 -69.3 -14.2 7.9 -34.9 -11.4 52 68 A L G < S+ 0 0 90 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.726 86.6 61.7 -71.2 -23.4 10.5 -32.3 -10.3 53 69 A E G < S+ 0 0 184 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.327 95.3 75.6 -88.8 7.4 12.1 -32.0 -13.7 54 70 A S S < S- 0 0 37 -3,-1.0 -3,-0.0 1,-0.3 3,-0.0 -0.291 98.6 -68.5 -99.0-172.9 8.9 -30.8 -15.4 55 71 A G > - 0 0 43 -2,-0.1 4,-2.1 1,-0.1 -1,-0.3 -0.218 45.6-110.7 -64.4 168.8 7.3 -27.4 -15.2 56 72 A L H > S+ 0 0 117 2,-0.2 4,-1.6 3,-0.2 -1,-0.1 0.936 123.3 39.0 -63.9 -47.4 5.8 -26.2 -11.9 57 73 A V H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.1 5,-0.2 0.926 119.2 44.7 -66.9 -52.0 2.3 -26.6 -13.6 58 74 A K H > S+ 0 0 132 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.939 112.9 51.8 -61.0 -48.6 3.1 -29.8 -15.5 59 75 A G H X S+ 0 0 9 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.876 107.6 53.8 -53.3 -43.8 4.8 -31.4 -12.5 60 76 A F H < S+ 0 0 113 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.925 111.0 44.8 -54.4 -50.3 1.7 -30.6 -10.4 61 77 A F H >< S+ 0 0 136 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.786 112.4 51.3 -71.4 -28.5 -0.7 -32.3 -12.8 62 78 A Q H >< S+ 0 0 69 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.836 102.3 60.9 -73.6 -34.3 1.6 -35.4 -13.2 63 79 A S T 3< S+ 0 0 12 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.521 94.9 63.9 -72.9 -6.0 1.8 -35.8 -9.5 64 80 A L T < S+ 0 0 62 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.521 93.7 70.3 -94.2 -9.7 -2.0 -36.3 -9.3 65 81 A W S < S- 0 0 197 -3,-1.4 2,-0.0 -4,-0.2 -1,-0.0 -0.925 90.6-112.7-109.3 133.3 -1.9 -39.5 -11.3 66 82 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.312 27.6-159.5 -67.6 142.4 -0.3 -42.6 -9.9 67 83 A S - 0 0 33 -22,-2.6 2,-0.1 -4,-0.1 5,-0.1 -0.810 29.3 -98.5-110.2 157.2 2.9 -44.1 -11.2 68 84 A A > - 0 0 47 -2,-0.3 3,-1.4 1,-0.1 4,-0.2 -0.453 37.3-115.2 -62.4 149.1 4.2 -47.7 -10.8 69 85 A V G > S+ 0 0 25 1,-0.3 3,-2.2 2,-0.2 -1,-0.1 0.912 116.0 60.3 -54.8 -43.7 6.7 -48.0 -8.0 70 86 A E G 3 S+ 0 0 128 1,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.668 110.7 42.1 -61.2 -16.5 9.5 -48.9 -10.5 71 87 A N G < S+ 0 0 107 -3,-1.4 2,-0.5 1,-0.1 -1,-0.3 0.256 103.0 80.0-109.4 9.5 8.9 -45.5 -12.1 72 88 A a < - 0 0 1 -3,-2.2 -28,-0.2 -4,-0.2 -1,-0.1 -0.902 59.0-162.4-127.7 102.0 8.5 -43.4 -8.9 73 89 A T - 0 0 34 -2,-0.5 -24,-3.4 1,-0.1 -23,-0.2 -0.755 38.5-113.4 -78.7 116.2 11.6 -42.3 -6.9 74 90 A P B -A 48 0A 15 0, 0.0 2,-0.6 0, 0.0 -26,-0.2 -0.235 25.5-158.3 -55.8 130.2 10.1 -41.4 -3.5 75 91 A N >> + 0 0 4 -28,-2.5 4,-1.1 1,-0.1 3,-0.7 -0.782 14.6 176.3-111.0 85.7 10.3 -37.7 -2.7 76 92 A G H 3> S+ 0 0 2 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.786 75.0 66.3 -57.5 -30.7 10.1 -37.5 1.1 77 93 A H H 3> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.901 98.5 51.1 -61.2 -42.0 10.6 -33.7 1.0 78 94 A L H <> S+ 0 0 50 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.893 109.1 51.0 -64.4 -39.9 7.3 -33.2 -0.8 79 95 A W H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 5,-0.2 0.972 111.9 47.8 -55.1 -53.7 5.5 -35.2 1.9 80 96 A N H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 75,-0.4 0.869 112.2 49.2 -59.8 -41.2 7.1 -33.2 4.6 81 97 A V H X S+ 0 0 9 -4,-2.6 4,-2.7 72,-0.2 -1,-0.2 0.910 111.3 49.0 -61.0 -47.2 6.2 -29.9 2.9 82 98 A M H X S+ 0 0 23 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.905 113.3 46.8 -59.3 -45.5 2.6 -30.9 2.4 83 99 A I H X S+ 0 0 25 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.896 113.1 48.4 -65.1 -43.0 2.2 -32.0 6.0 84 100 A T H X S+ 0 0 10 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.911 113.2 48.0 -65.7 -45.8 3.9 -28.8 7.3 85 101 A G H X S+ 0 0 10 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.902 110.1 51.9 -59.0 -45.8 1.7 -26.7 5.1 86 102 A H H X S+ 0 0 25 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.960 114.7 42.8 -56.1 -52.4 -1.5 -28.5 6.2 87 103 A G H X S+ 0 0 14 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.924 114.3 48.1 -62.0 -49.8 -0.7 -28.0 9.9 88 104 A I H X>S+ 0 0 10 -4,-2.8 4,-2.4 1,-0.2 5,-0.8 0.941 112.8 49.1 -59.2 -49.7 0.5 -24.4 9.7 89 105 A L H X5S+ 0 0 3 -4,-2.5 4,-1.8 -5,-0.2 5,-0.4 0.931 115.5 43.9 -55.3 -48.0 -2.6 -23.3 7.6 90 106 A M H X>S+ 0 0 42 -4,-2.2 5,-1.3 -5,-0.3 4,-0.8 0.950 118.8 40.2 -63.2 -50.1 -5.0 -25.1 10.0 91 107 A M H <5S+ 0 0 13 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.771 133.9 18.9 -76.5 -27.4 -3.4 -23.9 13.3 92 108 A F H <5S+ 0 0 10 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.740 132.0 32.0-109.8 -30.6 -2.7 -20.3 12.2 93 109 A F H <>S+ 0 0 13 -6,-0.4 4,-2.6 2,-0.2 5,-1.5 0.956 114.3 52.1 -73.4 -48.0 -9.0 -19.5 15.0 97 113 A P H 4>S+ 0 0 10 0, 0.0 5,-1.0 0, 0.0 -2,-0.2 0.877 113.9 46.3 -49.6 -39.7 -9.6 -16.8 12.3 98 114 A A H <>S+ 0 0 6 -4,-1.9 5,-2.1 3,-0.2 -2,-0.2 0.935 124.1 29.4 -68.9 -50.7 -13.0 -18.5 11.7 99 115 A L H <>S+ 0 0 1 -4,-2.6 5,-1.9 3,-0.2 -3,-0.2 0.953 136.3 23.3 -75.7 -53.8 -14.1 -18.8 15.3 100 116 A F T <>S+ 0 0 8 -4,-2.6 5,-0.9 -5,-0.3 -2,-0.1 0.947 132.8 35.7 -82.3 -54.9 -12.3 -15.9 16.9 101 117 A G T XS+ 0 0 0 -5,-2.1 4,-3.1 2,-0.2 5,-0.6 0.880 125.3 57.2 -63.3 -37.4 -17.9 -15.3 14.8 104 120 A G H >>S+ 0 0 0 0, 0.0 5,-2.5 0, 0.0 4,-0.7 0.921 115.0 50.0 -57.2 -44.3 -20.4 -6.9 20.2 110 126 A L H ><5S+ 0 0 0 -4,-0.6 3,-0.7 1,-0.2 -2,-0.2 0.901 108.9 52.3 -56.5 -43.6 -24.0 -8.0 19.4 111 127 A H H 3<5S+ 0 0 1 -4,-3.1 411,-0.2 1,-0.2 -1,-0.2 0.738 116.7 37.4 -68.0 -26.4 -24.1 -10.2 22.4 112 128 A I H 3<5S- 0 0 0 -4,-1.4 89,-2.2 -3,-0.4 -1,-0.2 0.385 112.8-115.0-105.2 1.5 -23.0 -7.4 24.8 113 129 A G T <<5 + 0 0 8 -4,-0.7 -3,-0.2 -3,-0.7 -2,-0.1 0.775 62.9 150.1 69.9 28.7 -24.9 -4.7 23.0 114 130 A A < - 0 0 0 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.678 46.8-140.5 -86.0 147.0 -21.8 -2.8 22.0 115 131 A P S S- 0 0 57 0, 0.0 419,-0.5 0, 0.0 2,-0.3 0.770 76.6 -22.6 -78.8 -27.5 -22.2 -0.8 18.7 116 132 A D S S- 0 0 27 83,-0.1 2,-0.1 -7,-0.1 -107,-0.1 -0.938 83.7 -68.1-163.0 175.9 -18.7 -1.7 17.5 117 133 A M - 0 0 2 -2,-0.3 75,-0.1 -3,-0.1 74,-0.1 -0.446 51.9-108.3 -69.3 153.6 -15.3 -2.8 18.8 118 134 A A S S+ 0 0 21 73,-0.6 -1,-0.1 1,-0.3 73,-0.1 0.883 113.2 26.2 -49.1 -46.4 -13.3 -0.3 20.9 119 135 A F > + 0 0 71 1,-0.1 4,-1.8 2,-0.0 3,-0.4 -0.776 67.8 175.4-125.6 85.1 -10.8 0.3 18.0 120 136 A P H > S+ 0 0 22 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.822 81.3 55.2 -59.3 -36.1 -12.4 -0.4 14.6 121 137 A R H > S+ 0 0 163 2,-0.2 4,-1.6 1,-0.2 5,-0.1 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306 A A H <5S- 0 0 0 -4,-2.0 68,-2.9 -5,-0.3 -1,-0.3 0.618 102.3-138.2 -84.2 -15.3 -33.5 -27.8 23.4 291 307 A K T <5 + 0 0 30 -4,-0.9 -3,-0.2 -3,-0.3 -4,-0.1 0.898 68.1 107.2 57.3 47.7 -35.8 -24.8 24.1 292 308 A K S - 0 0 23 1,-0.1 3,-0.6 2,-0.0 2,-0.2 -0.333 46.8-116.2 -60.4 133.6 -28.4 -23.4 29.6 295 311 A F T 3 S+ 0 0 1 54,-0.6 308,-0.1 1,-0.2 58,-0.1 -0.567 89.4 2.9 -71.9 135.3 -27.8 -25.6 32.7 296 312 A G T 3> - 0 0 0 306,-2.2 4,-2.4 -2,-0.2 -1,-0.2 0.902 67.7-176.1 56.5 54.7 -25.4 -24.1 35.2 297 313 A Y H <> S+ 0 0 57 -3,-0.6 4,-1.9 1,-0.2 5,-0.1 0.897 81.7 46.9 -43.5 -52.6 -24.6 -20.7 33.6 298 314 A L H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.926 111.4 47.8 -62.8 -51.8 -22.1 -19.8 36.4 299 315 A P H > S+ 0 0 38 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.822 108.7 58.6 -54.8 -31.9 -20.2 -23.2 36.4 300 316 A M H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.932 109.5 42.3 -63.0 -45.6 -20.1 -22.9 32.6 301 317 A V H X S+ 0 0 3 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.944 117.2 46.2 -63.6 -48.9 -18.2 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25.4 322 338 A A T < 5S- 0 0 2 -3,-1.6 -1,-0.2 413,-0.2 -2,-0.1 0.360 117.2 -78.2 -96.0 5.5 12.4 -35.5 25.0 323 339 A G T 5S+ 0 0 29 -3,-0.3 2,-0.3 1,-0.2 -3,-0.1 0.686 71.8 161.1 108.3 23.3 14.5 -35.9 28.1 324 340 A L < - 0 0 10 -5,-0.6 -1,-0.2 -4,-0.2 0, 0.0 -0.581 43.2-110.9 -76.3 139.0 12.2 -34.7 30.9 325 341 A S > - 0 0 58 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.189 28.8-108.4 -60.2 157.8 13.2 -35.8 34.4 326 342 A L H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.858 120.9 53.1 -58.6 -35.9 10.8 -38.3 36.1 327 343 A T H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 109.3 46.6 -64.9 -50.4 9.7 -35.5 38.5 328 344 A Q H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.943 113.9 50.0 -55.3 -47.1 8.8 -33.2 35.6 329 345 A Q H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 59,-0.3 0.881 110.9 48.3 -59.3 -43.6 7.0 -36.1 33.9 330 346 A S H X S+ 0 0 12 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.893 113.3 47.8 -65.5 -42.1 5.0 -36.9 37.0 331 347 A Y H X S+ 0 0 103 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.960 112.2 46.6 -64.2 -52.6 4.0 -33.3 37.6 332 348 A F H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.842 110.5 54.7 -64.7 -31.3 2.9 -32.6 34.0 333 349 A M H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.914 112.9 41.4 -62.7 -48.2 0.9 -35.8 33.9 334 350 A M H X S+ 0 0 92 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.933 114.1 51.3 -69.1 -47.5 -1.1 -34.9 37.0 335 351 A A H X S+ 0 0 13 -4,-2.9 4,-0.7 1,-0.2 3,-0.4 0.911 111.1 50.1 -51.8 -48.1 -1.6 -31.3 36.1 336 352 A T H >< S+ 0 0 11 -4,-2.2 3,-1.2 -5,-0.3 4,-0.4 0.913 103.5 58.0 -58.4 -46.8 -2.9 -32.4 32.6 337 353 A M H >< S+ 0 0 9 -4,-1.9 3,-1.4 1,-0.2 4,-0.3 0.819 94.4 67.5 -53.9 -33.5 -5.4 -34.9 34.1 338 354 A V H >< S+ 0 0 71 -4,-1.2 3,-2.2 -3,-0.4 -1,-0.2 0.847 85.3 70.8 -59.1 -36.0 -7.0 -32.1 36.1 339 355 A I T S+ 0 0 31 -3,-1.4 4,-2.5 -4,-0.4 -1,-0.3 0.777 92.1 62.4 -58.6 -26.3 -10.8 -33.4 32.5 341 357 A V H <> S+ 0 0 19 -3,-2.2 4,-2.0 -4,-0.3 -1,-0.2 0.982 107.2 35.6 -71.4 -59.6 -12.8 -32.1 35.5 342 358 A P H > S+ 0 0 11 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.862 119.8 52.8 -60.5 -34.7 -14.0 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