==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-OCT-12 4HOV . COMPND 2 MOLECULE: DYPB; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS JOSTII; . AUTHOR J.C.GRIGG,R.SINGH,L.D.ELTIS,M.E.P.MURPHY . 925 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 636 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 208 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 71 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.2 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 3 1 5 5 7 0 0 0 4 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 17 7 3 0 6 3 3 3 3 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 . 4 3 0 0 0 0 0 0 0 3 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 6 A A > 0 0 93 0, 0.0 3,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 90.3 45.5 9.6 7.2 2 7 A R T 3 - 0 0 47 1,-0.2 53,-0.1 55,-0.0 52,-0.1 -0.470 360.0 -24.6 -76.8 124.6 43.1 6.7 8.0 3 8 A L T 3 S+ 0 0 3 51,-0.5 -1,-0.2 53,-0.4 54,-0.1 0.843 95.6 140.2 44.7 45.6 42.9 3.6 5.7 4 9 A A X - 0 0 4 -3,-0.7 3,-0.6 52,-0.2 54,-0.4 -0.974 51.8-121.8-118.4 130.2 44.3 5.6 2.7 5 10 A P T 3 S+ 0 0 4 0, 0.0 54,-0.2 0, 0.0 297,-0.2 -0.317 91.5 30.4 -64.0 155.5 46.8 4.0 0.3 6 11 A Q T 3 + 0 0 10 52,-2.3 2,-1.7 1,-0.2 53,-0.2 0.738 69.7 161.2 70.6 25.1 50.2 5.7 -0.3 7 12 A A X + 0 0 9 -3,-0.6 3,-1.0 51,-0.4 -1,-0.2 -0.599 5.8 169.7 -78.8 84.3 50.4 7.2 3.2 8 13 A V T 3 + 0 0 4 -2,-1.7 -1,-0.2 1,-0.2 251,-0.1 0.828 66.0 60.0 -67.8 -32.7 54.1 7.9 3.2 9 14 A L T 3 + 0 0 73 -3,-0.2 -1,-0.2 145,-0.0 146,-0.2 0.140 69.4 135.4 -90.4 23.3 54.1 9.9 6.4 10 15 A T < - 0 0 30 -3,-1.0 3,-0.1 1,-0.1 47,-0.0 -0.379 56.5-115.7 -71.4 145.3 52.8 7.3 8.9 11 16 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 229,-0.0 -0.202 49.2 -67.3 -73.2 175.8 54.6 7.1 12.2 12 17 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 92,-0.0 -0.198 54.9-154.3 -61.2 154.3 56.5 3.9 13.3 13 18 A S - 0 0 22 -3,-0.1 93,-0.2 227,-0.1 3,-0.1 -0.832 26.6-117.4-128.5 166.8 54.4 0.8 14.0 14 19 A A S S+ 0 0 48 -2,-0.3 122,-2.4 91,-0.2 2,-0.3 0.798 99.0 21.2 -71.5 -31.6 54.8 -2.3 16.0 15 20 A A E +AB 105 135A 11 90,-1.7 90,-1.9 120,-0.2 2,-0.3 -0.959 64.1 175.1-136.7 152.1 54.7 -4.6 12.9 16 21 A S E -AB 104 134A 4 118,-1.9 118,-1.4 -2,-0.3 2,-0.4 -0.971 17.2-147.8-149.5 166.1 55.3 -4.3 9.2 17 22 A L E -AB 103 133A 1 86,-2.8 86,-2.8 -2,-0.3 2,-0.5 -0.998 7.6-162.2-135.7 131.6 55.4 -6.4 6.1 18 23 A F E -AB 102 132A 0 114,-2.6 114,-2.1 -2,-0.4 2,-0.5 -0.979 12.0-176.9-117.6 114.6 57.7 -5.7 3.1 19 24 A L E -AB 101 131A 0 82,-2.2 82,-2.3 -2,-0.5 2,-0.5 -0.970 6.6-173.5-115.6 120.8 56.7 -7.5 -0.1 20 25 A V E +AB 100 130A 3 110,-3.1 109,-2.9 -2,-0.5 110,-2.0 -0.972 14.1 178.6-113.0 126.8 58.8 -7.2 -3.3 21 26 A L E -AB 99 128A 3 78,-2.3 77,-2.8 -2,-0.5 78,-2.3 -0.898 24.9-142.4-126.2 153.6 57.3 -8.8 -6.4 22 27 A V E - B 0 127A 47 105,-2.6 105,-2.5 -2,-0.3 2,-0.2 -0.963 26.3-132.1-111.4 130.6 58.2 -9.2 -10.1 23 28 A A E - B 0 126A 6 -2,-0.4 103,-0.3 103,-0.2 102,-0.1 -0.510 24.4-106.7 -79.8 151.2 55.3 -9.0 -12.6 24 29 A G - 0 0 20 101,-2.7 -1,-0.1 -2,-0.2 101,-0.1 -0.298 26.4-116.3 -69.7 163.6 54.9 -11.6 -15.4 25 30 A D S S+ 0 0 146 4,-0.1 -1,-0.1 -2,-0.0 100,-0.0 0.734 80.8 94.5 -77.0 -27.8 55.7 -10.7 -19.1 26 31 A S S > S- 0 0 52 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.118 79.9-122.4 -64.9 164.0 52.2 -11.1 -20.7 27 32 A D H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.733 116.0 58.3 -73.7 -26.5 49.8 -8.1 -21.2 28 33 A D H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 106.0 47.2 -65.7 -45.6 47.3 -10.1 -19.1 29 34 A D H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 112.0 51.0 -57.3 -50.6 49.8 -10.1 -16.2 30 35 A R H X S+ 0 0 67 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.870 112.0 47.6 -52.9 -43.9 50.3 -6.4 -16.8 31 36 A A H X S+ 0 0 55 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.821 111.5 48.7 -71.1 -36.7 46.5 -5.9 -16.7 32 37 A T H X S+ 0 0 56 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.957 112.5 48.3 -67.2 -49.5 45.9 -7.9 -13.5 33 38 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.920 112.5 49.7 -55.8 -47.5 48.8 -6.1 -11.7 34 39 A C H X S+ 0 0 21 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.894 109.8 50.8 -59.0 -43.4 47.3 -2.8 -12.8 35 40 A D H X S+ 0 0 114 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.960 114.7 43.7 -56.6 -52.0 43.9 -3.8 -11.6 36 41 A V H >< S+ 0 0 14 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.964 116.2 43.0 -62.2 -58.4 45.2 -4.8 -8.2 37 42 A I H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.881 114.2 50.6 -60.9 -38.4 47.5 -1.9 -7.5 38 43 A S H 3< S+ 0 0 24 -4,-2.0 -1,-0.2 -5,-0.3 3,-0.2 0.750 116.6 41.5 -73.7 -24.1 45.1 0.8 -8.7 39 44 A G T X< S+ 0 0 33 -4,-1.4 3,-2.2 -3,-0.5 -1,-0.3 0.042 76.7 126.6-103.6 25.7 42.3 -0.6 -6.6 40 45 A I T <> + 0 0 0 -3,-1.3 4,-1.8 1,-0.3 -1,-0.1 0.715 60.2 71.7 -62.0 -19.9 44.6 -1.2 -3.6 41 46 A D H 3> S+ 0 0 38 -3,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.811 88.2 68.3 -63.0 -28.9 42.2 0.8 -1.3 42 47 A G H <> S+ 0 0 20 -3,-2.2 4,-2.5 2,-0.2 3,-0.2 0.984 107.9 30.9 -53.3 -68.8 39.8 -2.2 -1.6 43 48 A P H > S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 5,-0.5 0.845 114.8 63.1 -64.4 -28.4 41.8 -4.7 0.3 44 49 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.945 113.2 34.8 -59.0 -46.4 43.3 -2.0 2.6 45 50 A K H X S+ 0 0 11 -4,-2.5 4,-2.1 3,-0.2 5,-0.3 0.857 110.5 62.7 -73.9 -36.1 39.8 -1.2 3.8 46 51 A A H < S+ 0 0 2 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.883 122.2 22.6 -58.0 -40.5 38.6 -4.8 3.7 47 52 A V H >< S+ 0 0 0 -4,-2.0 3,-1.2 -5,-0.1 4,-0.2 0.876 124.4 52.6 -88.2 -50.1 41.2 -5.7 6.3 48 53 A G H >< S+ 0 0 0 -4,-2.7 3,-1.8 -5,-0.5 6,-0.3 0.829 98.5 61.6 -63.3 -37.6 41.9 -2.3 8.0 49 54 A F T 3< S+ 0 0 14 -4,-2.1 -1,-0.3 1,-0.3 -3,-0.1 0.758 89.9 72.2 -61.2 -25.5 38.4 -1.4 8.8 50 55 A R T < S+ 0 0 7 -3,-1.2 2,-0.5 -5,-0.3 -1,-0.3 0.650 87.8 70.9 -65.2 -15.2 38.1 -4.5 11.1 51 56 A E S X S- 0 0 16 -3,-1.8 3,-1.0 -4,-0.2 5,-0.1 -0.921 77.1-145.8-104.8 123.2 40.5 -2.8 13.7 52 57 A L T 3 S+ 0 0 58 -2,-0.5 -1,-0.1 1,-0.3 706,-0.0 0.915 98.9 54.0 -56.3 -46.5 38.9 0.1 15.5 53 58 A A T 3 S- 0 0 79 1,-0.1 -1,-0.3 577,-0.1 -4,-0.1 0.731 96.3-144.6 -60.9 -22.4 42.2 2.1 15.7 54 59 A G < + 0 0 10 -3,-1.0 -51,-0.5 -6,-0.3 -2,-0.1 0.932 42.6 153.6 58.9 46.8 42.5 1.8 12.0 55 60 A S + 0 0 44 -7,-0.2 2,-0.1 -53,-0.1 -1,-0.1 0.644 28.2 113.1 -80.7 -16.7 46.3 1.5 12.1 56 61 A L + 0 0 3 -8,-0.2 -53,-0.4 -5,-0.1 2,-0.3 -0.339 40.4 175.4 -65.7 128.3 46.8 -0.5 8.9 57 62 A S E -C 104 0A 9 47,-2.7 47,-1.6 -2,-0.1 2,-0.3 -0.949 14.2-164.8-128.3 159.7 48.6 1.3 6.1 58 63 A C E -C 103 0A 0 -54,-0.4 -52,-2.3 -2,-0.3 2,-0.5 -0.941 1.5-170.4-144.6 115.4 49.8 0.2 2.6 59 64 A V E -C 102 0A 3 43,-2.6 43,-2.7 -2,-0.3 2,-0.5 -0.948 13.5-152.6-104.4 123.6 52.3 2.1 0.4 60 65 A V E -C 101 0A 0 -2,-0.5 2,-0.4 41,-0.2 41,-0.2 -0.861 9.7-167.5 -95.5 126.2 52.6 0.7 -3.2 61 66 A G E -C 100 0A 0 39,-2.9 39,-2.5 -2,-0.5 2,-0.4 -0.915 4.7-156.2-108.9 143.2 55.9 1.3 -5.0 62 67 A V E -CD 99 298A 0 236,-3.0 236,-2.9 -2,-0.4 37,-0.2 -0.981 16.2-128.0-121.1 126.8 56.4 0.7 -8.8 63 68 A G > - 0 0 3 35,-3.3 4,-2.3 -2,-0.4 5,-0.2 -0.267 24.8-110.2 -68.4 160.8 59.8 -0.1 -10.4 64 69 A A H > S+ 0 0 7 232,-0.4 4,-1.9 2,-0.2 -1,-0.1 0.942 115.7 45.9 -57.6 -53.9 61.2 1.9 -13.4 65 70 A Q H > S+ 0 0 148 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.938 115.0 46.1 -56.4 -53.0 60.9 -0.9 -15.9 66 71 A F H >> S+ 0 0 1 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.848 106.9 58.4 -63.1 -34.6 57.3 -1.9 -14.8 67 72 A W H >X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 3,-1.7 0.930 100.6 58.1 -57.8 -43.7 56.2 1.8 -14.8 68 73 A D H 3< S+ 0 0 71 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.761 102.3 55.1 -58.6 -27.6 57.2 2.0 -18.5 69 74 A R H << S+ 0 0 60 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.678 119.2 29.9 -75.7 -21.9 54.8 -0.8 -19.3 70 75 A V H << S+ 0 0 33 -3,-1.7 -2,-0.2 -4,-0.7 -1,-0.1 0.512 134.6 24.3-117.9 -11.1 51.8 0.9 -17.7 71 76 A S >< + 0 0 24 -4,-2.0 3,-1.3 -5,-0.1 -2,-0.1 -0.378 67.7 158.2-155.0 58.4 52.5 4.6 -18.2 72 77 A A T 3 S+ 0 0 84 1,-0.2 -4,-0.1 -4,-0.2 3,-0.1 0.787 75.9 45.0 -58.8 -31.6 54.9 4.7 -21.2 73 78 A S T 3 S+ 0 0 125 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.224 111.0 50.3-104.9 11.1 54.1 8.4 -22.0 74 79 A S < + 0 0 50 -3,-1.3 -1,-0.2 -6,-0.0 0, 0.0 -0.884 64.4 170.3-152.9 118.5 54.2 10.0 -18.5 75 80 A K - 0 0 86 -2,-0.3 95,-0.1 -3,-0.1 2,-0.1 -0.981 34.7-113.7-138.8 134.6 57.1 9.5 -16.1 76 81 A P > - 0 0 3 0, 0.0 3,-1.4 0, 0.0 92,-0.0 -0.411 40.6-108.7 -66.6 149.4 58.2 11.1 -12.8 77 82 A A T 3 S+ 0 0 62 1,-0.3 185,-0.0 -2,-0.1 91,-0.0 0.721 108.1 31.2 -54.4 -32.1 61.4 13.1 -13.1 78 83 A H T 3 S+ 0 0 62 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.176 77.4 132.7-120.4 20.2 63.8 10.7 -11.2 79 84 A L < + 0 0 10 -3,-1.4 -16,-0.0 -15,-0.1 219,-0.0 -0.627 25.2 127.6 -78.2 122.4 62.5 7.2 -11.8 80 85 A H - 0 0 59 -2,-0.5 -16,-0.2 3,-0.0 3,-0.1 -0.944 61.8 -77.7-157.5 165.8 65.3 4.7 -12.7 81 86 A P - 0 0 78 0, 0.0 2,-0.1 0, 0.0 214,-0.1 -0.297 63.5 -81.0 -68.9 159.8 66.5 1.3 -11.5 82 87 A F - 0 0 9 13,-0.2 212,-0.0 214,-0.2 214,-0.0 -0.393 45.9-124.7 -61.1 130.7 68.6 1.1 -8.3 83 88 A V - 0 0 63 -2,-0.1 -1,-0.1 -3,-0.1 9,-0.1 -0.654 21.9-131.4 -83.5 114.0 72.3 1.9 -9.1 84 89 A P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.270 20.6-148.1 -60.4 150.4 74.6 -0.9 -7.9 85 90 A L E -K 92 0B 11 7,-2.4 7,-2.2 185,-0.0 2,-0.6 -0.989 13.6-169.3-127.5 133.7 77.6 0.3 -5.8 86 91 A S E +K 91 0B 102 -2,-0.4 5,-0.2 5,-0.2 189,-0.0 -0.931 18.9 177.4-124.6 103.9 81.0 -1.3 -5.7 87 92 A G - 0 0 16 3,-1.9 188,-0.2 -2,-0.6 187,-0.1 -0.352 46.9 -88.6-103.1-178.3 83.1 0.2 -3.0 88 93 A P S S+ 0 0 83 0, 0.0 187,-0.1 0, 0.0 3,-0.1 0.853 120.7 1.1 -62.1 -35.7 86.6 -0.6 -1.7 89 94 A V S S+ 0 0 87 185,-0.4 2,-0.3 1,-0.3 186,-0.1 0.672 129.6 39.1-120.4 -34.1 85.4 -3.3 0.7 90 95 A H - 0 0 41 184,-0.5 -3,-1.9 2,-0.0 2,-0.3 -0.888 58.1-156.9-128.4 155.1 81.6 -3.6 0.4 91 96 A S E -K 86 0B 64 -2,-0.3 200,-0.4 -5,-0.2 -5,-0.2 -0.923 12.0-145.2-130.1 152.1 79.0 -3.5 -2.4 92 97 A A E -K 85 0B 1 -7,-2.2 -7,-2.4 -2,-0.3 202,-0.1 -0.969 27.1-145.2-114.7 110.9 75.3 -2.8 -2.7 93 98 A P - 0 0 48 0, 0.0 2,-0.6 0, 0.0 -10,-0.0 -0.305 8.0-131.0 -72.9 158.5 73.7 -5.0 -5.3 94 99 A S - 0 0 53 199,-0.1 201,-0.2 -10,-0.0 -11,-0.0 -0.975 35.7-175.5-105.4 119.5 70.8 -3.9 -7.5 95 100 A T - 0 0 35 199,-2.9 -13,-0.2 -2,-0.6 198,-0.1 -0.815 26.8 -83.1-122.4 159.1 68.2 -6.7 -7.3 96 101 A P + 0 0 92 0, 0.0 2,-0.2 0, 0.0 198,-0.1 -0.180 52.7 141.3 -64.8 150.0 64.8 -7.3 -9.1 97 102 A G + 0 0 13 199,-0.1 -75,-0.2 -77,-0.0 -31,-0.2 -0.551 21.9 173.5 176.8 122.2 61.5 -5.8 -8.2 98 103 A D S S+ 0 0 24 -77,-2.8 -35,-3.3 1,-0.2 2,-0.4 0.758 79.4 33.2 -92.4 -35.5 58.6 -4.4 -10.1 99 104 A L E -AC 21 62A 0 -78,-2.3 -78,-2.3 -37,-0.2 2,-0.4 -0.976 59.1-167.1-127.9 138.1 56.3 -3.9 -7.1 100 105 A L E -AC 20 61A 0 -39,-2.5 -39,-2.9 -2,-0.4 2,-0.5 -0.987 0.6-170.3-115.2 134.0 56.8 -2.9 -3.4 101 106 A F E -AC 19 60A 0 -82,-2.3 -82,-2.2 -2,-0.4 2,-0.7 -0.987 3.7-171.3-116.2 117.1 54.1 -3.2 -0.8 102 107 A H E +AC 18 59A 2 -43,-2.7 -43,-2.6 -2,-0.5 2,-0.4 -0.938 14.8 179.9-109.3 106.4 55.2 -1.5 2.4 103 108 A I E +AC 17 58A 0 -86,-2.8 -86,-2.8 -2,-0.7 2,-0.3 -0.896 6.4 175.6-116.7 136.4 52.5 -2.5 5.0 104 109 A K E +AC 16 57A 7 -47,-1.6 -47,-2.7 -2,-0.4 2,-0.3 -0.979 7.0 152.1-138.3 146.4 52.4 -1.4 8.6 105 110 A A E -A 15 0A 1 -90,-1.9 -90,-1.7 -2,-0.3 -91,-0.2 -0.976 55.0-104.7-161.7 168.8 49.9 -1.9 11.5 106 111 A A S S+ 0 0 53 -2,-0.3 2,-0.3 -92,-0.2 -90,-0.1 0.639 107.1 45.9 -66.4 -14.6 49.7 -2.2 15.3 107 112 A R S > S- 0 0 85 -92,-0.1 4,-1.3 1,-0.1 3,-0.5 -0.994 73.6-136.5-138.8 140.3 49.2 -6.0 14.8 108 113 A K H > S+ 0 0 55 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.878 102.9 61.4 -62.2 -40.8 51.0 -8.7 12.8 109 114 A D H > S+ 0 0 5 336,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.861 101.1 52.4 -57.0 -38.1 47.7 -10.3 11.8 110 115 A L H > S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.925 112.5 45.3 -64.2 -43.5 46.5 -7.1 10.0 111 116 A C H X S+ 0 0 4 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.958 115.5 47.3 -59.8 -51.0 49.8 -7.0 8.0 112 117 A F H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.903 112.7 47.7 -59.3 -46.3 49.6 -10.7 7.2 113 118 A E H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.894 111.6 49.8 -65.3 -43.2 46.0 -10.7 6.1 114 119 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.960 113.3 47.1 -61.4 -47.1 46.4 -7.6 3.9 115 120 A G H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.890 109.8 54.0 -56.9 -42.7 49.4 -9.3 2.3 116 121 A R H X S+ 0 0 39 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.930 110.8 45.2 -58.3 -48.7 47.4 -12.5 1.9 117 122 A Q H X S+ 0 0 16 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.867 114.2 48.7 -66.6 -36.4 44.6 -10.7 0.0 118 123 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.961 113.6 45.0 -66.7 -50.1 47.1 -8.8 -2.2 119 124 A V H X S+ 0 0 31 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.924 114.7 49.7 -62.4 -42.5 49.1 -12.0 -3.1 120 125 A S H < S+ 0 0 84 -4,-2.4 3,-0.3 -5,-0.3 -1,-0.2 0.910 110.0 49.9 -61.2 -43.9 45.9 -13.9 -3.7 121 126 A A H < S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.782 110.9 50.0 -67.5 -28.5 44.4 -11.1 -5.9 122 127 A L H >< S+ 0 0 3 -4,-1.8 3,-2.0 1,-0.2 4,-0.3 0.747 83.1 162.7 -79.9 -23.0 47.6 -11.0 -8.0 123 128 A G G >< S- 0 0 46 -4,-1.5 3,-0.9 -3,-0.3 -1,-0.2 -0.088 70.5 -10.5 41.6-127.7 47.6 -14.8 -8.5 124 129 A S G 3 S+ 0 0 113 1,-0.2 -1,-0.3 -4,-0.1 -95,-0.1 0.603 118.6 85.3 -78.0 -12.3 49.9 -15.9 -11.4 125 130 A A G < S+ 0 0 2 -3,-2.0 -101,-2.7 -97,-0.1 2,-0.3 0.630 99.6 21.6 -64.0 -14.9 50.4 -12.3 -12.6 126 131 A A E < -B 23 0A 11 -3,-0.9 2,-0.4 -4,-0.3 -103,-0.2 -0.993 64.2-143.6-153.2 155.7 53.3 -11.8 -10.1 127 132 A T E -B 22 0A 97 -105,-2.5 -105,-2.6 -2,-0.3 2,-0.5 -0.981 23.1-122.7-126.0 137.3 55.9 -13.6 -8.0 128 133 A V E +B 21 0A 29 -2,-0.4 -107,-0.3 -107,-0.2 3,-0.1 -0.642 30.3 172.3 -74.5 119.8 57.2 -12.6 -4.6 129 134 A V E + 0 0 72 -109,-2.9 2,-0.3 -2,-0.5 -108,-0.2 0.584 69.4 20.4-103.5 -16.3 60.9 -12.3 -4.8 130 135 A D E +B 20 0A 15 -110,-2.0 -110,-3.1 2,-0.0 2,-0.4 -0.964 59.8 177.5-153.5 141.8 61.4 -10.9 -1.3 131 136 A E E +B 19 0A 33 -2,-0.3 2,-0.4 -112,-0.2 -112,-0.2 -0.981 4.0 176.2-146.0 123.7 59.3 -11.0 1.9 132 137 A V E -B 18 0A 6 -114,-2.1 -114,-2.6 -2,-0.4 2,-0.8 -0.999 20.0-152.4-136.7 131.6 60.3 -9.6 5.3 133 138 A H E -B 17 0A 55 -2,-0.4 112,-0.3 -116,-0.2 -116,-0.2 -0.880 24.8-158.5-103.0 99.8 58.1 -9.5 8.5 134 139 A G E -B 16 0A 5 -118,-1.4 -118,-1.9 -2,-0.8 2,-0.3 -0.492 10.6-173.3 -84.3 150.4 59.4 -6.5 10.4 135 140 A F E -BE 15 243A 8 108,-2.1 108,-1.2 -120,-0.2 2,-0.2 -0.996 29.1-109.3-142.1 148.6 58.9 -6.1 14.1 136 141 A R - 0 0 99 -122,-2.4 2,-0.6 -2,-0.3 282,-0.4 -0.559 31.8-150.6 -73.7 136.5 59.6 -3.4 16.7 137 142 A Y B > -L 141 0C 18 4,-0.6 4,-2.4 -2,-0.2 8,-0.0 -0.922 47.5 -61.5-119.2 108.1 62.4 -4.3 19.0 138 143 A F T 4 S- 0 0 15 -2,-0.6 2,-2.1 1,-0.2 280,-0.1 -0.257 120.2 -0.6 50.3-137.9 62.3 -2.9 22.6 139 144 A D T 4 S- 0 0 77 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 -0.387 127.4 -62.4 -83.6 63.3 62.4 0.9 22.7 140 145 A S T 4 S+ 0 0 48 -2,-2.1 8,-3.0 1,-0.2 -1,-0.2 0.826 94.4 148.5 70.3 36.5 62.6 1.5 18.9 141 146 A R B < -LM 137 147C 24 -4,-2.4 -4,-0.6 6,-0.3 6,-0.3 -0.567 43.0-133.8-100.5 160.5 66.0 -0.3 18.5 142 147 A D > - 0 0 15 4,-2.4 3,-2.0 -2,-0.2 112,-0.1 -0.538 42.6 -93.0 -96.8 177.4 67.5 -2.3 15.7 143 148 A L T 3 S+ 0 0 7 110,-0.4 111,-0.1 1,-0.3 -2,-0.0 0.596 122.9 70.3 -70.4 -11.0 69.2 -5.7 16.3 144 149 A L T 3 S- 0 0 7 2,-0.2 -1,-0.3 109,-0.0 3,-0.1 0.542 118.0-111.8 -74.1 -10.9 72.6 -3.9 16.6 145 150 A G S < S+ 0 0 16 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.533 78.4 118.6 96.7 8.3 71.1 -2.5 19.9 146 151 A F S S- 0 0 5 61,-0.0 -4,-2.4 -4,-0.0 -1,-0.3 -0.819 74.9-101.9-109.7 147.7 70.8 1.2 18.9 147 152 A V B -M 141 0C 24 58,-0.5 2,-0.6 -2,-0.3 -6,-0.3 -0.514 43.7-154.4 -64.4 128.6 67.6 3.3 18.7 148 153 A D + 0 0 46 -8,-3.0 -1,-0.1 -2,-0.2 -3,-0.0 -0.927 67.7 25.0-122.7 107.2 66.9 3.3 15.0 149 154 A G S > S+ 0 0 19 -2,-0.6 3,-3.0 91,-0.1 -1,-0.1 0.185 73.1 133.8 130.0 -9.0 64.9 6.2 13.4 150 155 A T T 3 S+ 0 0 53 1,-0.3 -2,-0.1 -10,-0.2 -10,-0.0 0.807 72.8 43.5 -41.6 -57.8 65.7 9.0 16.0 151 156 A E T 3 S+ 0 0 115 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.308 79.2 139.4 -79.7 9.2 66.5 11.8 13.6 152 157 A N < - 0 0 29 -3,-3.0 86,-0.1 1,-0.1 2,-0.1 -0.255 60.3-111.5 -48.6 138.1 63.7 11.1 11.2 153 158 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.457 38.9-156.3 -66.6 147.5 62.1 14.4 10.0 154 159 A T > - 0 0 91 -2,-0.1 3,-1.2 -3,-0.1 4,-0.3 -0.909 43.3 -15.8-126.7 159.7 58.6 14.9 11.4 155 160 A D T 3> S+ 0 0 137 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 -0.297 132.2 3.2 59.8-125.9 55.5 16.9 10.4 156 161 A D H 3> S+ 0 0 130 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.895 135.6 54.2 -59.6 -41.3 56.2 19.6 7.8 157 162 A D H <> S+ 0 0 94 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.881 107.4 50.6 -57.9 -43.2 59.8 18.5 7.6 158 163 A A H > S+ 0 0 6 -4,-0.3 4,-2.5 2,-0.2 5,-0.3 0.932 112.8 45.9 -60.8 -47.9 58.8 15.0 6.8 159 164 A A H X S+ 0 0 29 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.918 114.1 48.3 -63.2 -43.0 56.5 16.2 4.0 160 165 A D H < S+ 0 0 94 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.869 116.8 44.0 -63.3 -38.5 59.2 18.5 2.6 161 166 A S H < S+ 0 0 21 -4,-2.5 100,-2.6 -5,-0.2 101,-0.4 0.883 126.9 24.2 -72.1 -39.7 61.7 15.7 2.7 162 167 A A H < S+ 0 0 0 -4,-2.5 14,-0.4 98,-0.3 2,-0.4 0.749 101.4 79.9-104.2 -29.6 59.7 12.9 1.3 163 168 A L S < S- 0 0 45 -4,-2.2 12,-0.2 -5,-0.3 98,-0.2 -0.714 76.2-117.5 -97.6 131.5 56.8 14.2 -0.9 164 169 A I + 0 0 3 10,-2.9 9,-2.7 -2,-0.4 10,-0.1 -0.427 44.2 171.9 -62.3 128.5 57.2 15.4 -4.5 165 170 A G > - 0 0 19 7,-0.2 3,-1.4 -2,-0.1 6,-0.2 0.100 52.2 -33.8-113.5-136.4 56.3 19.1 -4.7 166 171 A D T 3 S+ 0 0 125 1,-0.3 4,-0.1 2,-0.1 6,-0.1 0.736 118.5 76.4 -64.5 -25.8 56.4 21.9 -7.3 167 172 A E T 3 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.618 115.1 16.8 -61.7 -14.6 59.6 20.6 -8.9 168 173 A D S X S+ 0 0 21 -3,-1.4 3,-2.8 1,-0.0 -1,-0.3 -0.323 77.3 177.4-156.9 62.1 57.6 17.8 -10.6 169 174 A P G > S+ 0 0 74 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 0.666 73.4 63.3 -54.4 -34.8 53.9 19.0 -10.5 170 175 A D G 3 S+ 0 0 123 1,-0.3 -4,-0.1 -4,-0.1 134,-0.0 0.641 113.7 37.1 -64.1 -15.6 52.3 16.1 -12.5 171 176 A F G X S+ 0 0 9 -3,-2.8 3,-2.0 -6,-0.2 -7,-0.3 0.055 82.5 152.0-124.5 24.6 53.5 13.7 -9.7 172 177 A R T < + 0 0 121 -3,-1.4 -7,-0.2 1,-0.3 129,-0.2 -0.233 67.0 28.8 -53.4 139.3 52.9 16.0 -6.7 173 178 A G T 3 S+ 0 0 32 -9,-2.7 -1,-0.3 1,-0.3 129,-0.1 0.184 100.6 106.9 90.7 -17.5 52.2 14.0 -3.5 174 179 A G < - 0 0 0 -3,-2.0 -10,-2.9 -10,-0.1 -1,-0.3 -0.102 48.5-167.3 -80.5-173.7 54.3 11.0 -4.7 175 180 A S E -F 299 0A 0 124,-2.2 124,-3.5 -12,-0.2 2,-0.4 -0.944 20.5-115.2-160.3 176.9 57.7 9.9 -3.5 176 181 A Y E -FG 298 260A 2 84,-1.9 84,-2.3 -14,-0.4 2,-0.4 -0.997 28.4-167.7-127.7 136.8 60.7 7.6 -4.2 177 182 A V E -FG 297 259A 0 120,-2.6 120,-3.1 -2,-0.4 2,-0.4 -0.948 8.8-163.3-127.8 141.0 61.6 4.8 -2.0 178 183 A I E -FG 296 258A 2 80,-2.0 80,-2.3 -2,-0.4 2,-0.4 -0.978 9.4-164.7-118.1 135.9 64.7 2.5 -1.8 179 184 A V E +FG 295 257A 0 116,-2.2 116,-1.7 -2,-0.4 2,-0.3 -0.919 9.9 175.7-115.6 144.8 64.8 -0.8 0.1 180 185 A Q E - G 0 256A 2 76,-2.0 76,-2.6 -2,-0.4 2,-0.8 -0.896 21.8-145.1-143.6 124.1 67.8 -2.9 1.2 181 186 A K E - G 0 255A 41 -2,-0.3 111,-3.8 74,-0.2 112,-0.6 -0.775 24.0-165.4 -84.6 112.6 67.6 -6.0 3.2 182 187 A Y E -HG 291 254A 14 72,-2.3 72,-1.9 -2,-0.8 2,-0.4 -0.825 10.0-162.0-102.8 137.9 70.6 -6.1 5.5 183 188 A L E -HG 290 253A 51 107,-2.4 107,-2.6 -2,-0.4 2,-0.3 -0.955 17.8-140.8-114.0 138.3 71.9 -9.2 7.4 184 189 A H E -H 289 0A 20 68,-3.1 2,-1.0 -2,-0.4 68,-0.4 -0.648 14.5-134.1-101.3 151.8 74.2 -8.7 10.3 185 190 A D > - 0 0 83 103,-2.1 4,-2.6 -2,-0.3 5,-0.2 -0.822 30.6-178.8 -94.6 88.8 77.3 -10.5 11.6 186 191 A M H > S+ 0 0 25 -2,-1.0 4,-2.8 1,-0.2 -1,-0.2 0.875 74.9 52.6 -64.0 -38.8 76.2 -10.5 15.2 187 192 A S H > S+ 0 0 90 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.943 112.1 45.4 -65.7 -44.4 79.3 -12.2 16.6 188 193 A A H >> S+ 0 0 26 1,-0.2 3,-1.6 2,-0.2 4,-0.7 0.949 112.5 52.4 -61.0 -47.3 81.7 -9.8 15.0 189 194 A W H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.928 107.4 52.6 -54.2 -46.2 79.5 -6.9 16.1 190 195 A N H 3< S+ 0 0 91 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.548 94.0 70.0 -71.4 -6.1 79.6 -8.1 19.7 191 196 A T H << S+ 0 0 110 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.775 86.7 86.2 -76.9 -24.4 83.4 -8.3 19.7 192 197 A L S << S- 0 0 20 -3,-1.4 2,-0.1 -4,-0.7 3,-0.0 -0.387 86.3-117.2 -69.7 149.5 83.4 -4.5 19.7 193 198 A S > - 0 0 47 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.441 30.7-108.1 -72.7 163.4 83.2 -2.6 22.9 194 199 A T H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 122.7 53.3 -59.7 -43.5 80.1 -0.4 23.4 195 200 A E H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 107.2 50.1 -59.6 -42.4 82.2 2.7 22.9 196 201 A E H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.942 111.4 50.1 -61.5 -43.8 83.6 1.3 19.5 197 202 A Q H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.895 107.4 53.4 -58.4 -42.7 80.0 0.6 18.4 198 203 A E H X>S+ 0 0 28 -4,-2.5 4,-3.3 1,-0.2 5,-0.6 0.881 107.7 50.9 -62.9 -36.5 79.0 4.2 19.4 199 204 A R H <5S+ 0 0 122 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.815 109.0 52.3 -69.6 -31.0 81.9 5.5 17.2 200 205 A V H <5S+ 0 0 4 -4,-1.7 21,-2.8 -5,-0.2 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