==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUN-09 3HZ8 . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBA; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS MC58; . AUTHOR C.LAFAYE,T.IWEMA,P.CARPENTIER,C.JULLIAN-BINARD,L.SERRE . 192 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 . 11 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 43.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 0 0 0 0 0 1 1 0 0 2 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 1 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 . 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 23 A P 0 0 130 0, 0.0 2,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -13.1 54.2 26.6 -7.3 2 24 A A - 0 0 94 2,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.668 360.0 -10.2 -91.5 145.5 50.7 26.2 -8.6 3 25 A G S S+ 0 0 39 -2,-0.3 2,-0.3 2,-0.1 6,-0.1 -0.407 121.4 11.5 69.5-143.6 47.8 25.0 -6.5 4 26 A L + 0 0 47 -2,-0.1 2,-0.4 175,-0.1 -2,-0.1 -0.511 63.3 178.1 -74.0 124.9 48.5 23.6 -3.1 5 27 A V >>> - 0 0 37 -2,-0.3 3,-2.3 -4,-0.1 4,-1.7 -0.942 28.3-128.3-129.7 111.4 52.0 24.2 -1.8 6 28 A E B 345S+a 10 0A 126 -2,-0.4 5,-0.2 1,-0.3 -2,-0.0 -0.340 95.4 18.0 -60.7 131.4 52.8 22.9 1.7 7 29 A G T 345S+ 0 0 60 3,-3.3 -1,-0.3 -2,-0.1 4,-0.1 0.254 125.0 60.2 89.9 -10.0 54.4 25.6 3.8 8 30 A Q T <45S+ 0 0 135 -3,-2.3 -2,-0.2 2,-0.4 3,-0.1 0.783 123.1 2.9-112.0 -64.4 53.1 28.3 1.5 9 31 A N T <5S+ 0 0 37 -4,-1.7 157,-2.2 1,-0.2 2,-0.3 0.493 134.4 16.4-106.8 -4.1 49.3 28.4 1.2 10 32 A Y E < -aB 6 165A 19 -5,-1.0 -3,-3.3 155,-0.3 -2,-0.4 -0.984 58.4-160.6-155.8 159.8 48.6 25.6 3.7 11 33 A T E - B 0 164A 42 153,-2.1 153,-2.5 -2,-0.3 2,-0.5 -0.888 23.9-116.7-132.9 167.7 50.3 23.6 6.5 12 34 A V E - B 0 163A 58 -2,-0.3 151,-0.2 151,-0.2 150,-0.1 -0.922 28.0-121.1-111.2 129.7 49.5 20.3 8.2 13 35 A L - 0 0 42 149,-2.8 136,-0.0 -2,-0.5 145,-0.0 -0.345 9.5-136.1 -67.1 146.7 48.5 20.0 11.9 14 36 A A S S+ 0 0 116 1,-0.3 -1,-0.1 135,-0.1 148,-0.0 0.808 98.9 24.3 -67.1 -32.7 50.6 17.9 14.2 15 37 A N S S- 0 0 90 134,-0.1 -1,-0.3 146,-0.1 146,-0.0 -0.981 91.5-126.6-138.5 115.8 47.4 16.4 15.7 16 38 A P - 0 0 75 0, 0.0 146,-0.2 0, 0.0 145,-0.1 -0.317 17.0-124.4 -70.3 148.8 44.2 16.4 13.7 17 39 A I - 0 0 3 144,-2.6 -4,-0.0 132,-0.0 128,-0.0 -0.801 31.7-115.1 -88.2 121.6 41.0 17.9 15.1 18 40 A P - 0 0 96 0, 0.0 2,-0.1 0, 0.0 143,-0.1 -0.352 31.6-123.7 -57.4 135.4 38.2 15.4 15.1 19 41 A Q - 0 0 42 1,-0.1 3,-0.1 141,-0.1 6,-0.0 -0.484 5.5-132.8 -76.0 149.4 35.4 16.5 12.7 20 42 A Q S S+ 0 0 106 1,-0.2 2,-0.5 -2,-0.1 -1,-0.1 0.886 95.7 40.8 -66.1 -40.7 31.8 16.8 14.0 21 43 A Q S > S- 0 0 77 36,-0.1 3,-1.0 3,-0.0 -1,-0.2 -0.955 80.8-139.8-117.2 119.6 30.4 14.9 11.0 22 44 A A T 3 S+ 0 0 101 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.355 85.7 23.7 -67.1 149.4 32.1 11.7 9.6 23 45 A G T 3 S+ 0 0 72 1,-0.3 2,-0.2 -2,-0.1 -1,-0.2 0.518 106.5 95.8 71.7 4.7 32.2 11.2 5.8 24 46 A K S < S- 0 0 66 -3,-1.0 2,-0.7 164,-0.0 -1,-0.3 -0.705 80.3-111.6-115.0 171.6 31.9 14.9 5.2 25 47 A V E -c 56 0A 1 30,-3.2 32,-1.7 -2,-0.2 2,-0.3 -0.920 34.4-155.0-106.9 108.0 34.4 17.7 4.6 26 48 A E E -c 57 0A 0 -2,-0.7 134,-2.9 30,-0.2 2,-0.5 -0.650 11.8-163.4 -85.5 136.4 34.6 20.1 7.5 27 49 A V E -cD 58 159A 0 30,-2.5 32,-3.0 -2,-0.3 2,-0.5 -0.989 18.7-166.2-113.6 113.7 35.7 23.7 7.2 28 50 A L E -cD 59 158A 0 130,-3.1 130,-2.8 -2,-0.5 2,-0.5 -0.914 8.2-168.5-110.1 121.7 36.5 24.8 10.8 29 51 A E E -cD 60 157A 2 30,-2.7 32,-2.4 -2,-0.5 2,-0.4 -0.956 6.3-160.9-108.1 121.4 37.0 28.5 11.7 30 52 A F E +cD 61 156A 0 126,-3.0 126,-1.9 -2,-0.5 2,-0.3 -0.850 32.9 149.2 -88.7 136.3 38.4 29.5 15.1 31 53 A F E -c 62 0A 2 30,-1.8 32,-2.4 -2,-0.4 2,-0.3 -0.894 39.1-135.0-152.2 174.5 37.5 33.2 15.7 32 54 A G > - 0 0 0 -2,-0.3 3,-1.3 30,-0.2 6,-0.1 -0.987 19.3-134.1-137.6 146.6 36.7 35.8 18.4 33 55 A Y T 3 S+ 0 0 1 -2,-0.3 66,-0.3 1,-0.2 65,-0.1 0.696 107.9 58.1 -70.3 -16.7 34.0 38.4 18.3 34 56 A F T 3 S+ 0 0 68 64,-0.1 -1,-0.2 65,-0.1 61,-0.0 0.421 85.1 106.5 -83.8 -2.9 36.5 41.0 19.5 35 57 A a <> - 0 0 9 -3,-1.3 4,-2.0 1,-0.2 3,-0.2 -0.722 53.7-163.8 -96.7 109.5 38.7 40.4 16.5 36 58 A P H > S+ 0 0 76 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.894 93.5 49.3 -58.0 -39.9 38.8 42.9 13.6 37 59 A H H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.854 109.6 53.4 -68.0 -31.8 40.4 40.6 11.1 38 60 A a H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 106.1 52.9 -66.0 -38.3 37.7 38.0 12.0 39 61 A A H < S+ 0 0 25 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.829 111.6 46.9 -65.7 -32.6 35.0 40.6 11.3 40 62 A H H X S+ 0 0 120 -4,-1.6 4,-0.6 -5,-0.2 -2,-0.2 0.844 111.6 48.7 -77.3 -38.9 36.5 41.2 7.9 41 63 A L H >X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.6 0.856 96.4 79.4 -63.4 -34.9 36.9 37.5 7.0 42 64 A E H 3X S+ 0 0 17 -4,-1.9 4,-2.9 1,-0.3 5,-0.3 0.853 92.3 42.5 -46.0 -58.2 33.2 37.0 8.1 43 65 A P H 3> S+ 0 0 77 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.841 117.1 49.0 -62.4 -31.2 31.4 38.2 5.0 44 66 A V H < S+ 0 0 159 -4,-1.6 3,-1.2 -5,-0.3 4,-0.5 0.939 111.4 50.5 -63.1 -46.2 29.3 34.0 1.3 48 70 A H H >< S+ 0 0 33 -4,-2.3 3,-2.2 1,-0.3 4,-0.3 0.892 101.1 62.7 -60.9 -39.3 31.7 31.3 0.2 49 71 A A H >< S+ 0 0 25 -4,-2.4 3,-1.1 1,-0.3 -1,-0.3 0.748 90.9 67.1 -58.3 -24.7 30.0 28.8 2.4 50 72 A K T << S+ 0 0 148 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.764 98.6 53.6 -65.2 -24.1 26.8 29.3 0.3 51 73 A S T < S+ 0 0 67 -3,-2.2 -1,-0.2 -4,-0.5 -2,-0.2 0.495 83.4 124.7 -84.1 -10.3 28.7 27.7 -2.5 52 74 A F < - 0 0 27 -3,-1.1 6,-0.0 -4,-0.3 -3,-0.0 -0.233 64.2-118.2 -55.9 139.0 29.6 24.6 -0.5 53 75 A K > - 0 0 144 1,-0.1 3,-1.9 4,-0.0 -1,-0.1 -0.256 35.8 -98.6 -63.2 163.5 28.7 21.2 -1.9 54 76 A D T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -30,-0.0 -2,-0.1 0.659 123.5 58.4 -63.3 -18.6 26.2 19.1 0.2 55 77 A D T 3 S+ 0 0 45 -31,-0.1 -30,-3.2 -29,-0.0 2,-0.3 0.359 97.6 75.7 -93.7 4.8 29.1 17.1 1.7 56 78 A M E < +c 25 0A 18 -3,-1.9 2,-0.3 -32,-0.2 -30,-0.2 -0.859 56.3 177.6-113.4 151.8 30.8 20.2 3.1 57 79 A Y E -c 26 0A 25 -32,-1.7 -30,-2.5 -2,-0.3 2,-0.6 -0.994 27.2-124.3-150.6 153.7 29.9 22.3 6.1 58 80 A L E -c 27 0A 51 -2,-0.3 2,-0.4 -32,-0.2 -30,-0.2 -0.884 26.0-173.9-100.6 120.0 31.2 25.3 8.0 59 81 A R E -c 28 0A 12 -32,-3.0 -30,-2.7 -2,-0.6 2,-0.4 -0.928 5.1-163.3-109.7 137.6 31.9 24.8 11.7 60 82 A T E -c 29 0A 7 -2,-0.4 2,-0.4 -32,-0.2 -30,-0.2 -0.960 8.5-176.8-125.9 142.5 32.9 27.7 14.0 61 83 A E E -c 30 0A 10 -32,-2.4 -30,-1.8 -2,-0.4 2,-0.4 -0.998 21.1-135.5-137.0 130.9 34.5 27.8 17.4 62 84 A H E -c 31 0A 0 -2,-0.4 -30,-0.2 -32,-0.2 84,-0.2 -0.730 27.6-121.5 -86.2 131.1 35.2 30.8 19.6 63 85 A V - 0 0 0 -32,-2.4 2,-0.4 -2,-0.4 80,-0.2 -0.312 15.7-152.1 -66.5 153.7 38.6 30.8 21.2 64 86 A V + 0 0 4 78,-0.4 3,-0.1 79,-0.2 6,-0.0 -0.918 28.8 156.6-129.6 105.9 38.9 31.0 25.0 65 87 A W + 0 0 108 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.440 69.6 16.4-109.9 -7.3 42.2 32.6 26.1 66 88 A Q S > S- 0 0 114 1,-0.0 3,-2.0 0, 0.0 4,-0.4 -0.965 83.9-103.1-159.5 160.2 41.2 33.9 29.5 67 89 A K G > S+ 0 0 177 1,-0.3 3,-1.2 -2,-0.3 4,-0.3 0.830 118.4 60.7 -60.7 -30.4 38.3 33.1 32.0 68 90 A E G 3 S+ 0 0 102 1,-0.2 3,-0.5 2,-0.1 4,-0.3 0.683 96.0 63.3 -67.7 -17.5 36.5 36.3 31.0 69 91 A M G X> S+ 0 0 17 -3,-2.0 4,-1.7 1,-0.2 3,-0.5 0.611 77.7 84.0 -85.8 -13.6 36.3 35.1 27.4 70 92 A L H <> S+ 0 0 51 -3,-1.2 4,-2.4 -4,-0.4 -1,-0.2 0.846 84.3 60.4 -57.8 -35.5 34.1 32.1 28.2 71 93 A T H 3> S+ 0 0 26 -3,-0.5 4,-2.0 -4,-0.3 -1,-0.2 0.888 104.3 49.0 -60.2 -38.8 31.0 34.4 28.1 72 94 A L H <> S+ 0 0 6 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.870 109.7 51.4 -69.8 -37.4 31.8 35.2 24.4 73 95 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.896 108.0 52.5 -63.6 -39.1 32.2 31.5 23.7 74 96 A R H X S+ 0 0 47 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.878 108.7 51.0 -63.6 -38.1 28.8 30.9 25.3 75 97 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.919 109.4 49.6 -59.2 -47.8 27.4 33.6 23.0 76 98 A A H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.924 111.5 49.8 -58.4 -44.0 28.9 31.9 20.0 77 99 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.938 110.3 50.2 -57.5 -48.3 27.4 28.6 21.2 78 100 A A H X>S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.6 0.859 109.4 50.4 -61.5 -39.4 24.0 30.3 21.6 79 101 A V H X5S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.919 110.1 50.6 -64.1 -44.5 24.1 31.8 18.0 80 102 A D H <5S+ 0 0 37 -4,-2.3 -2,-0.2 -5,-0.2 4,-0.2 0.916 118.5 40.0 -58.1 -42.7 25.0 28.4 16.6 81 103 A M H ><5S+ 0 0 38 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.997 128.1 22.8 -68.4 -73.1 22.0 26.9 18.5 82 104 A A H 3<5S+ 0 0 36 -4,-2.4 3,-0.2 1,-0.2 -3,-0.2 0.664 129.4 42.5 -77.8 -20.7 19.1 29.4 18.3 83 105 A A T ><< + 0 0 7 -4,-1.5 3,-1.4 -5,-0.6 -1,-0.2 0.059 68.9 126.2-116.8 25.6 20.2 31.2 15.2 84 106 A A G X S+ 0 0 69 -3,-0.9 3,-0.8 1,-0.3 4,-0.2 0.869 76.4 51.5 -50.1 -41.7 21.3 28.3 13.0 85 107 A D G 3 S+ 0 0 158 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.649 126.2 23.1 -76.4 -17.1 19.0 29.5 10.1 86 108 A S G <> S+ 0 0 62 -3,-1.4 4,-1.6 -7,-0.2 -1,-0.3 -0.230 73.6 138.8-141.9 52.9 20.3 33.1 10.2 87 109 A K H <> + 0 0 28 -3,-0.8 4,-3.1 1,-0.2 5,-0.3 0.826 69.5 63.5 -60.4 -33.7 23.7 32.8 11.7 88 110 A D H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 104.4 43.6 -63.8 -45.1 25.1 35.3 9.2 89 111 A V H > S+ 0 0 53 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.902 115.1 51.1 -61.2 -46.1 22.9 38.2 10.4 90 112 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.957 112.7 43.8 -59.4 -51.9 23.6 37.3 14.0 91 113 A N H X S+ 0 0 4 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.907 112.8 53.4 -60.5 -42.9 27.4 37.3 13.5 92 114 A S H X S+ 0 0 71 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.935 111.6 45.7 -52.3 -52.0 27.2 40.4 11.5 93 115 A H H X S+ 0 0 58 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.889 115.1 47.0 -60.1 -43.2 25.3 42.1 14.4 94 116 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.916 110.4 49.7 -72.1 -44.6 27.7 40.8 17.0 95 117 A F H X>S+ 0 0 7 -4,-3.1 4,-2.9 2,-0.2 5,-0.7 0.914 112.9 49.2 -58.3 -42.2 30.9 41.8 15.2 96 118 A D H X>S+ 0 0 65 -4,-2.0 5,-2.8 -5,-0.3 4,-1.4 0.968 111.4 48.8 -60.9 -52.0 29.5 45.3 14.7 97 119 A A H <5S+ 0 0 0 -4,-2.5 6,-2.7 3,-0.2 -2,-0.2 0.887 122.8 32.7 -52.9 -45.8 28.5 45.6 18.4 98 120 A M H <5S+ 0 0 23 -4,-2.5 4,-0.4 4,-0.2 -2,-0.2 0.949 129.6 31.5 -78.3 -53.9 31.9 44.4 19.6 99 121 A V H <5S+ 0 0 32 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.946 135.0 22.4 -76.1 -49.1 34.3 45.8 17.0 100 122 A N T < + 0 0 134 -2,-0.2 3,-2.0 1,-0.2 7,-0.3 -0.442 45.2 158.8 -86.0 68.8 30.9 44.8 26.4 105 127 A L T 3 + 0 0 0 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.607 64.2 75.4 -66.5 -11.1 29.1 41.7 25.4 106 128 A Q T 3 S+ 0 0 70 -3,-0.2 -1,-0.3 1,-0.1 -35,-0.2 0.590 80.9 81.8 -74.7 -9.5 31.6 39.7 27.5 107 129 A N S X> S- 0 0 71 -3,-2.0 4,-2.7 1,-0.1 3,-1.0 -0.883 78.4-146.2 -97.3 112.3 29.7 40.9 30.5 108 130 A P H 3> S+ 0 0 41 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.779 97.3 55.1 -51.0 -33.4 26.5 38.7 31.0 109 131 A E H 3> S+ 0 0 134 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.887 114.3 40.1 -66.5 -40.5 24.4 41.6 32.3 110 132 A V H <> S+ 0 0 51 -3,-1.0 4,-2.3 -6,-0.3 -1,-0.2 0.906 116.4 51.0 -69.8 -45.2 25.2 43.7 29.2 111 133 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 -7,-0.3 5,-0.2 0.904 107.6 50.9 -61.9 -45.3 24.9 40.7 26.8 112 134 A K H X S+ 0 0 61 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.911 112.2 46.0 -65.5 -41.5 21.5 39.5 28.1 113 135 A K H X S+ 0 0 138 -4,-1.2 4,-1.0 -5,-0.2 -1,-0.2 0.935 114.5 49.3 -61.9 -47.4 19.9 43.0 27.7 114 136 A W H >X S+ 0 0 20 -4,-2.3 3,-0.8 1,-0.2 4,-0.6 0.925 110.5 49.6 -58.4 -47.6 21.4 43.4 24.3 115 137 A L H >< S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.918 105.5 57.0 -60.1 -44.3 20.2 39.9 23.1 116 138 A G H 3< S+ 0 0 33 -4,-2.1 -1,-0.2 1,-0.3 8,-0.2 0.771 107.1 50.7 -57.4 -26.8 16.7 40.7 24.3 117 139 A E H << S+ 0 0 107 -4,-1.0 2,-0.3 -3,-0.8 -1,-0.3 0.528 87.1 101.5 -89.6 -10.3 16.6 43.7 22.1 118 140 A Q <<> + 0 0 25 -3,-1.4 5,-1.3 -4,-0.6 6,-0.5 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