==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JAN-12 3VEC . COMPND 2 MOLECULE: DYPB; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS JOSTII; . AUTHOR J.C.GRIGG,R.SINGH,Z.ARMSTRONG,L.D.ELTIS,M.E.P.MURPHY . 926 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 620 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 22.2 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 . 11 1.2 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 . 64 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 5 4 3 2 8 0 1 0 5 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 16 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 2 0 0 0 0 0 0 0 2 1 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 0 100 0, 0.0 3,-0.8 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 73.0 -45.3 -10.0 7.6 2 7 A R T 3 - 0 0 51 1,-0.2 53,-0.1 55,-0.0 52,-0.1 -0.283 360.0 -23.7 -63.6 131.3 -42.9 -7.0 8.4 3 8 A L T 3 S+ 0 0 3 51,-0.6 -1,-0.2 53,-0.4 54,-0.1 0.707 93.3 140.0 36.5 43.4 -42.8 -4.0 6.0 4 9 A A X - 0 0 4 -3,-0.8 3,-0.7 52,-0.1 54,-0.6 -0.872 52.2-118.2-109.4 141.4 -44.2 -5.7 2.9 5 10 A P B 3 S+a 58 0A 3 0, 0.0 297,-0.2 0, 0.0 54,-0.2 -0.411 93.3 26.9 -69.6 156.8 -46.6 -4.3 0.4 6 11 A Q T 3 + 0 0 12 52,-1.9 2,-1.6 1,-0.2 3,-0.2 0.736 69.2 159.8 64.7 26.7 -50.1 -6.0 -0.1 7 12 A A X + 0 0 11 -3,-0.7 3,-1.0 51,-0.3 -1,-0.2 -0.636 6.6 169.6 -76.7 83.9 -50.2 -7.5 3.4 8 13 A V T 3 + 0 0 6 -2,-1.6 -1,-0.2 1,-0.2 251,-0.1 0.821 66.6 62.1 -66.9 -32.7 -54.0 -8.0 3.4 9 14 A L T 3 + 0 0 73 -3,-0.2 -1,-0.2 145,-0.0 146,-0.2 0.219 69.4 136.8 -89.2 21.7 -54.0 -10.1 6.5 10 15 A T < - 0 0 30 -3,-1.0 3,-0.1 1,-0.1 47,-0.0 -0.299 55.3-116.1 -67.8 147.2 -52.6 -7.5 9.0 11 16 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 143,-0.0 -0.131 48.6 -69.0 -73.8 179.9 -54.3 -7.3 12.4 12 17 A P - 0 0 119 0, 0.0 2,-0.3 0, 0.0 92,-0.0 -0.286 53.8-155.9 -67.7 162.3 -56.2 -4.2 13.5 13 18 A S - 0 0 24 227,-0.1 93,-0.2 -3,-0.1 3,-0.1 -0.859 28.4-118.0-136.6 169.1 -54.2 -0.9 14.3 14 19 A A S S+ 0 0 51 -2,-0.3 122,-2.4 91,-0.2 2,-0.3 0.779 98.9 22.8 -77.1 -24.9 -54.6 2.2 16.3 15 20 A A E +BC 105 135A 12 90,-1.8 90,-2.1 120,-0.2 2,-0.3 -0.981 63.4 174.4-143.8 146.3 -54.5 4.4 13.2 16 21 A S E -BC 104 134A 4 118,-1.8 118,-1.7 -2,-0.3 2,-0.4 -0.985 17.3-148.0-149.1 163.4 -55.1 4.1 9.5 17 22 A L E -BC 103 133A 1 86,-3.1 86,-3.0 -2,-0.3 2,-0.6 -0.993 6.5-163.4-134.1 126.3 -55.3 6.2 6.3 18 23 A F E -BC 102 132A 0 114,-2.6 114,-2.0 -2,-0.4 2,-0.5 -0.937 12.8-176.3-108.9 112.6 -57.6 5.5 3.4 19 24 A L E -BC 101 131A 0 82,-3.0 82,-2.4 -2,-0.6 2,-0.5 -0.949 6.1-172.4-114.9 120.9 -56.5 7.3 0.2 20 25 A V E +BC 100 130A 2 110,-3.1 109,-3.5 -2,-0.5 110,-1.8 -0.959 13.0 179.7-109.9 130.4 -58.6 7.1 -3.0 21 26 A L E -BC 99 128A 4 78,-2.5 77,-3.6 -2,-0.5 78,-2.3 -0.943 24.9-143.7-128.6 149.3 -57.1 8.6 -6.2 22 27 A V E - C 0 127A 44 105,-2.3 105,-2.0 -2,-0.3 2,-0.2 -0.923 26.9-132.4-103.6 132.0 -58.0 9.1 -9.9 23 28 A A E - C 0 126A 6 -2,-0.4 103,-0.3 103,-0.2 102,-0.1 -0.599 25.7-104.7 -81.2 147.0 -55.2 8.9 -12.4 24 29 A G - 0 0 18 101,-2.9 6,-0.1 -2,-0.2 -1,-0.1 -0.245 26.5-115.9 -60.9 158.1 -54.7 11.5 -15.2 25 30 A D S S+ 0 0 155 4,-0.1 -1,-0.1 5,-0.0 5,-0.1 0.827 81.6 96.1 -62.1 -40.1 -55.6 10.7 -18.8 26 31 A S S > S- 0 0 52 1,-0.1 4,-2.0 3,-0.1 5,-0.1 0.021 79.9-123.6 -58.3 156.9 -52.1 10.9 -20.4 27 32 A D H > S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.752 116.0 59.0 -68.2 -23.3 -49.8 8.0 -21.1 28 33 A D H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 103.4 49.2 -72.2 -42.2 -47.3 9.8 -19.0 29 34 A D H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.943 108.4 54.5 -54.9 -53.8 -49.8 9.8 -16.1 30 35 A R H X S+ 0 0 72 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.874 111.8 45.0 -46.0 -45.4 -50.3 6.0 -16.6 31 36 A A H X S+ 0 0 53 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.837 111.2 50.3 -76.6 -35.6 -46.5 5.4 -16.4 32 37 A T H X S+ 0 0 45 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.966 113.7 46.0 -67.1 -48.4 -45.9 7.6 -13.3 33 38 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.952 115.4 46.9 -56.2 -52.3 -48.7 5.9 -11.4 34 39 A C H X S+ 0 0 13 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.891 111.3 51.6 -59.3 -38.8 -47.4 2.5 -12.5 35 40 A D H X S+ 0 0 116 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.964 114.3 43.2 -63.7 -48.1 -43.9 3.4 -11.6 36 41 A V H < S+ 0 0 17 -4,-3.0 3,-0.3 1,-0.2 -2,-0.2 0.953 116.4 44.4 -62.5 -53.9 -44.9 4.6 -8.1 37 42 A I H >< S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.2 -1,-0.2 0.886 111.0 54.4 -64.0 -35.6 -47.3 1.7 -7.2 38 43 A S H 3< S+ 0 0 19 -4,-2.2 3,-0.3 -5,-0.3 -1,-0.2 0.877 114.7 40.9 -66.2 -32.2 -44.9 -0.9 -8.6 39 44 A G T >< S+ 0 0 34 -4,-1.5 3,-2.8 -3,-0.3 -1,-0.3 0.111 77.7 130.0 -98.8 24.8 -42.1 0.4 -6.3 40 45 A I T <> + 0 0 1 -3,-1.5 4,-2.1 1,-0.3 -1,-0.2 0.736 60.9 66.9 -56.9 -27.1 -44.4 0.9 -3.4 41 46 A D H 3> S+ 0 0 35 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.658 88.5 71.1 -72.7 -9.2 -42.2 -0.9 -0.9 42 47 A G H <> S+ 0 0 19 -3,-2.8 4,-2.5 -6,-0.2 3,-0.4 1.000 108.7 29.3 -59.8 -71.0 -39.6 1.9 -1.4 43 48 A P H >>S+ 0 0 29 0, 0.0 4,-2.9 0, 0.0 5,-0.5 0.899 116.7 62.2 -56.0 -42.8 -41.6 4.6 0.5 44 49 A L H X5S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.893 113.9 34.7 -51.9 -40.2 -43.2 1.8 2.7 45 50 A K H X5S+ 0 0 8 -4,-1.8 4,-1.9 -3,-0.4 -1,-0.2 0.822 110.6 64.1 -82.9 -29.8 -39.7 1.0 3.9 46 51 A A H <5S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.915 121.7 19.4 -65.2 -39.0 -38.5 4.6 3.9 47 52 A V H ><5S+ 0 0 0 -4,-2.9 3,-1.6 -5,-0.1 -2,-0.2 0.903 124.1 54.6 -93.3 -40.7 -41.0 5.5 6.5 48 53 A G H >< - 0 0 3 35,-3.0 4,-2.4 -2,-0.4 234,-0.2 -0.318 25.9-109.3 -71.5 161.7 -59.7 -0.1 -10.1 64 69 A A H > S+ 0 0 6 232,-0.4 4,-2.3 2,-0.2 5,-0.2 0.924 114.3 50.0 -58.0 -52.7 -61.1 -1.9 -13.2 65 70 A Q H > S+ 0 0 149 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.936 115.4 42.4 -53.2 -51.6 -60.8 1.0 -15.7 66 71 A F H 4 S+ 0 0 0 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.870 108.6 59.3 -68.8 -33.8 -57.2 1.8 -14.8 67 72 A W H >X S+ 0 0 2 -4,-2.4 3,-1.7 1,-0.2 4,-1.3 0.946 105.3 51.0 -56.5 -42.7 -56.3 -1.9 -14.7 68 73 A D H 3< S+ 0 0 73 -4,-2.3 4,-0.4 1,-0.3 -1,-0.2 0.831 101.7 60.3 -60.7 -38.1 -57.4 -2.0 -18.3 69 74 A R T 3< S+ 0 0 61 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.481 119.1 28.9 -64.7 -7.5 -55.2 1.0 -19.2 70 75 A V T <4 S+ 0 0 38 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.510 133.0 20.1-129.8 -7.8 -52.2 -1.1 -18.0 71 76 A S < + 0 0 19 -4,-1.3 3,-0.3 -3,-0.2 -2,-0.2 -0.276 49.1 149.7-169.7 62.0 -53.0 -4.7 -18.7 72 77 A A S S+ 0 0 85 -4,-0.4 3,-0.2 1,-0.2 -4,-0.1 0.502 74.5 78.7 -73.9 -3.4 -55.7 -5.6 -21.1 73 78 A S S S+ 0 0 116 1,-0.3 2,-0.3 -5,-0.1 -1,-0.2 0.934 110.1 5.0 -69.1 -51.5 -53.5 -8.7 -21.6 74 79 A S - 0 0 52 -3,-0.3 -1,-0.3 96,-0.0 0, 0.0 -0.990 65.9-169.5-139.5 141.5 -54.8 -10.4 -18.4 75 80 A K - 0 0 81 -2,-0.3 96,-0.1 -3,-0.2 -3,-0.0 -0.952 34.4-105.4-120.3 135.8 -57.5 -9.4 -15.8 76 81 A P > - 0 0 1 0, 0.0 3,-1.5 0, 0.0 92,-0.0 -0.362 43.7-109.6 -51.4 137.8 -58.3 -10.9 -12.4 77 82 A A T 3 S+ 0 0 61 1,-0.2 185,-0.0 91,-0.1 91,-0.0 0.690 110.8 32.8 -49.9 -25.9 -61.5 -13.0 -12.8 78 83 A H T 3 S+ 0 0 66 2,-0.0 2,-0.5 185,-0.0 -1,-0.2 0.434 79.3 129.5-120.5 7.7 -63.7 -10.7 -10.8 79 84 A L < + 0 0 6 -3,-1.5 -16,-0.0 -16,-0.1 219,-0.0 -0.461 27.4 127.6 -70.9 117.2 -62.4 -7.2 -11.5 80 85 A H - 0 0 59 -2,-0.5 -16,-0.1 217,-0.0 3,-0.1 -0.963 61.9 -78.9-155.3 162.8 -65.1 -4.8 -12.5 81 86 A P - 0 0 75 0, 0.0 2,-0.2 0, 0.0 214,-0.1 -0.230 62.4 -79.9 -67.4 164.7 -66.3 -1.4 -11.3 82 87 A F - 0 0 11 214,-0.2 12,-0.0 13,-0.2 212,-0.0 -0.408 44.4-127.3 -65.6 133.7 -68.4 -1.1 -8.3 83 88 A V - 0 0 58 -2,-0.2 -1,-0.1 -3,-0.1 9,-0.1 -0.678 20.1-134.1 -87.2 116.7 -72.1 -1.9 -8.9 84 89 A P - 0 0 81 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.301 19.0-150.0 -66.1 156.5 -74.4 0.9 -7.7 85 90 A L E -L 92 0B 10 7,-2.4 7,-2.2 185,-0.0 2,-0.5 -0.997 12.7-168.7-134.0 137.5 -77.4 -0.3 -5.7 86 91 A S E +L 91 0B 101 -2,-0.4 5,-0.2 5,-0.2 189,-0.0 -0.944 18.3 176.9-131.5 102.7 -80.8 1.4 -5.6 87 92 A G - 0 0 16 3,-1.7 188,-0.2 -2,-0.5 187,-0.1 -0.352 45.9 -88.7-103.2-177.5 -83.0 -0.0 -2.9 88 93 A P S S+ 0 0 88 0, 0.0 187,-0.1 0, 0.0 3,-0.1 0.843 119.9 2.6 -65.2 -35.7 -86.5 0.8 -1.6 89 94 A V S S+ 0 0 88 185,-0.4 2,-0.3 1,-0.3 186,-0.1 0.726 130.8 34.4-117.1 -38.5 -85.3 3.4 1.0 90 95 A H - 0 0 41 184,-0.5 -3,-1.7 2,-0.0 2,-0.3 -0.827 59.2-157.2-126.9 158.7 -81.4 3.6 0.6 91 96 A S E -L 86 0B 64 -2,-0.3 200,-0.4 -5,-0.2 -5,-0.2 -0.964 13.4-143.5-136.6 150.0 -78.8 3.5 -2.1 92 97 A A E -L 85 0B 1 -7,-2.2 -7,-2.4 -2,-0.3 2,-0.1 -0.955 28.1-146.5-113.3 111.2 -75.2 2.7 -2.4 93 98 A P - 0 0 47 0, 0.0 2,-0.5 0, 0.0 -10,-0.1 -0.415 8.3-130.1 -74.7 156.4 -73.6 5.0 -5.1 94 99 A S - 0 0 54 -2,-0.1 201,-0.2 199,-0.1 -11,-0.0 -0.941 34.6-177.1-101.1 125.9 -70.7 3.9 -7.3 95 100 A T - 0 0 35 199,-3.2 -13,-0.2 -2,-0.5 199,-0.1 -0.911 28.5 -84.1-131.2 152.2 -68.0 6.6 -7.2 96 101 A P + 0 0 87 0, 0.0 2,-0.2 0, 0.0 198,-0.1 -0.113 51.4 144.8 -60.9 147.1 -64.6 7.2 -9.0 97 102 A G + 0 0 12 199,-0.1 -75,-0.2 -77,-0.0 -31,-0.2 -0.639 19.3 173.6-176.6 128.2 -61.3 5.6 -7.9 98 103 A D S S+ 0 0 25 -77,-3.6 -35,-3.0 1,-0.3 2,-0.3 0.751 78.6 27.6-103.3 -32.6 -58.4 4.3 -9.9 99 104 A L E -BD 21 62A 0 -78,-2.3 -78,-2.5 -37,-0.2 2,-0.4 -0.975 60.5-164.8-132.6 144.3 -56.1 3.7 -6.9 100 105 A L E -BD 20 61A 0 -39,-2.0 -39,-2.9 -2,-0.3 2,-0.5 -0.995 1.0-168.7-125.0 132.0 -56.5 2.8 -3.2 101 106 A F E -BD 19 60A 0 -82,-2.4 -82,-3.0 -2,-0.4 2,-0.7 -0.991 5.4-170.8-116.9 116.5 -53.8 3.1 -0.6 102 107 A H E -BD 18 59A 2 -43,-2.8 -43,-2.9 -2,-0.5 2,-0.4 -0.940 13.4-177.2-107.9 103.8 -54.9 1.4 2.6 103 108 A I E -BD 17 58A 0 -86,-3.0 -86,-3.1 -2,-0.7 2,-0.3 -0.885 7.6-179.8-111.5 134.6 -52.3 2.3 5.2 104 109 A K E +BD 16 57A 11 -47,-1.5 -47,-2.6 -2,-0.4 2,-0.3 -0.961 11.5 148.9-131.7 145.0 -52.3 1.1 8.8 105 110 A A E -B 15 0A 0 -90,-2.1 -90,-1.8 -2,-0.3 -91,-0.2 -0.962 55.2-108.2-165.6 168.5 -49.8 1.8 11.6 106 111 A A S S+ 0 0 48 -2,-0.3 2,-0.3 -92,-0.2 -90,-0.1 0.552 103.9 45.4 -77.7 -10.3 -49.6 2.1 15.4 107 112 A R S > S- 0 0 85 1,-0.1 4,-1.2 -92,-0.1 -92,-0.1 -0.966 73.0-135.2-140.0 147.2 -49.2 5.9 15.0 108 113 A K H > S+ 0 0 60 -2,-0.3 4,-2.8 2,-0.2 3,-0.5 0.944 103.6 62.9 -65.8 -46.5 -50.8 8.7 12.9 109 114 A D H > S+ 0 0 5 336,-0.4 4,-3.2 1,-0.3 5,-0.2 0.869 102.4 50.2 -48.9 -45.2 -47.4 10.2 12.0 110 115 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.907 112.8 44.7 -59.7 -45.7 -46.4 7.0 10.1 111 116 A C H X S+ 0 0 4 -4,-1.2 4,-2.6 -3,-0.5 -2,-0.2 0.982 116.3 47.2 -62.9 -53.3 -49.6 6.8 8.1 112 117 A F H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.901 112.4 49.2 -54.5 -47.0 -49.5 10.5 7.3 113 118 A E H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.3 -1,-0.2 0.920 110.3 49.5 -62.2 -44.1 -45.8 10.4 6.3 114 119 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.925 113.4 48.2 -63.6 -40.6 -46.3 7.5 4.0 115 120 A G H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.923 108.3 53.3 -59.9 -47.5 -49.2 9.3 2.4 116 121 A R H X S+ 0 0 25 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.929 112.8 45.7 -51.0 -47.3 -47.2 12.5 2.1 117 122 A Q H X S+ 0 0 15 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.911 114.1 46.4 -69.1 -43.0 -44.6 10.5 0.3 118 123 A I H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.925 115.2 46.0 -62.6 -45.6 -47.0 8.6 -2.0 119 124 A V H X S+ 0 0 28 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.883 113.8 49.4 -71.1 -37.2 -48.9 11.8 -2.9 120 125 A S H >< S+ 0 0 87 -4,-2.4 3,-1.2 -5,-0.3 -1,-0.2 0.968 109.2 51.0 -62.3 -53.8 -45.8 13.7 -3.5 121 126 A A H 3< S+ 0 0 55 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.754 110.0 50.7 -61.9 -24.0 -44.2 11.0 -5.7 122 127 A L H >< S+ 0 0 4 -4,-1.4 3,-2.1 1,-0.2 4,-0.3 0.721 83.2 165.1 -83.2 -21.3 -47.4 10.8 -7.9 123 128 A G G X< S- 0 0 46 -3,-1.2 3,-1.0 -4,-1.1 -1,-0.2 -0.094 70.5 -11.8 42.5-125.9 -47.5 14.7 -8.3 124 129 A S G 3 S+ 0 0 114 1,-0.2 -1,-0.3 -4,-0.1 -95,-0.1 0.562 118.3 86.8 -84.3 -6.9 -49.8 15.7 -11.1 125 130 A A G < S+ 0 0 3 -3,-2.1 -101,-2.9 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G < - 0 0 0 -3,-2.0 -10,-2.4 -10,-0.1 2,-0.3 -0.097 49.0-164.3 -91.8-161.4 -54.3 -11.1 -4.5 175 180 A S E -G 299 0A 0 124,-1.8 124,-4.1 -12,-0.2 2,-0.5 -0.971 21.3-109.3-169.9 174.4 -57.7 -10.0 -3.4 176 181 A Y E -GH 298 260A 1 84,-2.0 84,-2.1 -14,-0.4 2,-0.4 -0.985 29.0-166.0-125.3 122.7 -60.7 -7.7 -4.0 177 182 A V E -GH 297 259A 0 120,-2.0 120,-2.4 -2,-0.5 2,-0.4 -0.882 6.0-168.4-113.0 136.3 -61.4 -4.7 -1.8 178 183 A I E -GH 296 258A 1 80,-2.2 80,-2.9 -2,-0.4 2,-0.4 -0.989 9.2-169.3-119.4 135.7 -64.6 -2.7 -1.6 179 184 A V E +GH 295 257A 1 116,-2.4 116,-1.7 -2,-0.4 2,-0.3 -0.930 9.7 175.0-124.5 142.0 -64.7 0.6 0.3 180 185 A Q E - H 0 256A 2 76,-2.2 76,-2.6 -2,-0.4 2,-0.8 -0.907 23.2-141.6-147.1 126.8 -67.6 2.8 1.3 181 186 A K E - H 0 255A 40 -2,-0.3 111,-3.4 74,-0.2 112,-0.5 -0.753 25.2-163.7 -90.0 108.5 -67.5 5.9 3.4 182 187 A Y E -IH 291 254A 13 72,-2.5 72,-1.8 -2,-0.8 2,-0.4 -0.782 10.1-161.2-100.0 140.5 -70.5 6.0 5.7 183 188 A L E -IH 290 253A 46 107,-2.2 107,-2.4 -2,-0.4 2,-0.3 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