==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-JAN-10 3L9U . COMPND 2 MOLECULE: DISULFIDE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR B.HERAS,R.JARROTT,S.R.SHOULDICE,G.GUNCAR . 199 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 6.0 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 . 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 . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.0 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 1 2 2 0 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 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 1 A A 0 0 155 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-118.4 -13.3 -16.1 -11.5 2 2 A S + 0 0 87 1,-0.1 189,-0.1 0, 0.0 0, 0.0 -0.957 360.0 169.2-133.5 123.5 -10.9 -13.4 -12.7 3 3 A A + 0 0 76 -2,-0.4 2,-0.2 187,-0.1 188,-0.1 0.548 45.2 82.3-111.9 -12.3 -11.2 -12.6 -16.3 4 4 A F - 0 0 35 186,-0.1 2,-0.5 187,-0.1 0, 0.0 -0.681 65.2-127.0-114.1 159.5 -9.3 -9.4 -17.0 5 5 A T >>> - 0 0 79 -2,-0.2 4,-2.7 6,-0.0 3,-2.0 -0.869 13.3-128.6-118.1 118.8 -5.6 -8.6 -17.5 6 6 A E B 345S+a 10 0A 136 -2,-0.5 5,-0.2 1,-0.2 -1,-0.0 -0.375 99.4 23.1 -56.0 130.7 -3.3 -6.2 -15.7 7 7 A G T 345S+ 0 0 52 3,-3.1 -1,-0.2 1,-0.1 4,-0.1 0.220 129.3 46.5 94.0 -14.2 -1.6 -4.0 -18.3 8 8 A T T <45S+ 0 0 70 -3,-2.0 -2,-0.2 2,-0.3 173,-0.1 0.663 123.1 21.8-119.1 -57.7 -4.2 -4.5 -20.9 9 9 A D T <5S- 0 0 25 -4,-2.7 169,-2.0 1,-0.2 2,-0.3 0.824 133.0 -13.2 -84.1 -32.0 -7.6 -4.1 -19.4 10 10 A Y E < -aB 6 177A 18 -5,-1.1 -3,-3.1 167,-0.3 -2,-0.3 -0.955 56.6-148.1-157.9 170.7 -6.6 -2.0 -16.4 11 11 A M E - B 0 176A 46 165,-2.3 165,-2.6 -2,-0.3 2,-0.5 -0.966 26.9-107.7-144.1 161.0 -3.6 -0.8 -14.4 12 12 A V E - B 0 175A 74 -2,-0.3 2,-0.2 163,-0.2 163,-0.2 -0.789 38.1-120.7 -89.3 129.8 -3.0 0.1 -10.8 13 13 A L - 0 0 8 161,-2.7 147,-0.0 -2,-0.5 -1,-0.0 -0.502 5.0-144.3 -70.2 133.8 -2.5 3.9 -10.2 14 14 A E S S+ 0 0 200 1,-0.3 -1,-0.1 -2,-0.2 160,-0.0 0.864 101.2 32.6 -59.7 -37.7 0.8 5.0 -8.7 15 15 A K S S- 0 0 150 144,-0.1 -1,-0.3 159,-0.0 -2,-0.0 -0.869 90.7-149.8-124.0 94.5 -1.1 7.6 -6.8 16 16 A P - 0 0 59 0, 0.0 158,-0.2 0, 0.0 157,-0.1 -0.192 24.4-106.8 -60.4 154.1 -4.6 6.4 -5.9 17 17 A I - 0 0 9 156,-2.7 3,-0.5 3,-0.1 -4,-0.0 -0.749 46.5-128.2 -77.2 121.1 -7.5 8.7 -5.6 18 18 A P S S+ 0 0 87 0, 0.0 155,-0.1 0, 0.0 138,-0.1 -0.291 79.6 17.8 -74.2 159.0 -8.1 8.9 -1.8 19 19 A N S S+ 0 0 164 1,-0.1 154,-0.1 153,-0.1 153,-0.0 0.878 90.0 117.0 54.9 44.4 -11.4 8.3 -0.1 20 20 A A > + 0 0 7 -3,-0.5 3,-0.8 152,-0.3 152,-0.2 0.033 29.7 148.9-132.5 25.2 -12.9 6.6 -3.1 21 21 A D T 3 S+ 0 0 113 1,-0.2 3,-0.1 152,-0.1 152,-0.1 -0.348 71.2 14.9 -65.9 147.2 -13.6 3.1 -2.0 22 22 A K T 3 S+ 0 0 87 1,-0.2 33,-2.2 174,-0.2 2,-0.3 0.878 101.6 125.1 54.9 45.2 -16.6 1.4 -3.8 23 23 A T E < -c 55 0A 16 -3,-0.8 149,-2.4 31,-0.3 2,-0.6 -0.952 56.9-149.3-126.9 150.8 -16.8 4.0 -6.5 24 24 A L E -cD 56 171A 1 31,-2.3 33,-3.0 -2,-0.3 2,-0.4 -0.954 30.2-166.2-108.2 100.6 -16.8 4.1 -10.3 25 25 A I E -cD 57 170A 2 145,-2.8 145,-2.8 -2,-0.6 2,-0.5 -0.744 8.5-162.7 -87.0 135.0 -15.1 7.4 -10.9 26 26 A K E -cD 58 169A 1 31,-1.5 33,-2.7 -2,-0.4 2,-0.5 -0.951 5.0-157.1-117.2 109.0 -15.3 8.8 -14.4 27 27 A V E +cD 59 168A 0 141,-3.2 141,-2.1 -2,-0.5 2,-0.3 -0.758 33.0 155.5 -79.9 126.1 -12.8 11.6 -15.0 28 28 A F E -c 60 0A 2 31,-2.1 33,-2.6 -2,-0.5 2,-0.4 -0.931 34.1-144.1-146.8 165.5 -14.2 13.6 -17.9 29 29 A S > - 0 0 0 -2,-0.3 3,-1.8 31,-0.2 7,-0.2 -0.999 21.8-133.8-134.7 142.2 -14.1 17.0 -19.6 30 30 A Y T 3 S+ 0 0 3 -2,-0.4 78,-0.1 1,-0.3 77,-0.1 0.809 111.8 54.6 -54.9 -28.4 -16.9 19.0 -21.3 31 31 A A T 3 S+ 0 0 5 33,-0.1 -1,-0.3 76,-0.1 34,-0.1 0.263 85.6 102.0 -93.4 11.5 -14.3 19.6 -24.0 32 32 A a <> - 0 0 4 -3,-1.8 4,-1.8 1,-0.1 3,-0.2 -0.863 55.5-160.7-105.3 113.0 -13.5 15.9 -24.6 33 33 A P H > S+ 0 0 86 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.885 93.8 48.8 -62.6 -40.9 -15.2 14.3 -27.7 34 34 A F H > S+ 0 0 128 132,-0.2 4,-2.8 2,-0.2 5,-0.2 0.811 106.2 58.1 -70.1 -27.6 -14.8 10.7 -26.4 35 35 A a H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.942 108.4 46.4 -62.3 -45.5 -16.2 11.7 -23.1 36 36 A Y H X S+ 0 0 25 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.950 112.7 50.1 -58.4 -51.8 -19.3 12.9 -25.0 37 37 A K H X S+ 0 0 126 -4,-2.4 4,-1.3 1,-0.2 5,-0.3 0.927 115.1 42.0 -53.8 -50.9 -19.4 9.6 -27.0 38 38 A Y H X>S+ 0 0 40 -4,-2.8 5,-2.5 1,-0.2 4,-2.4 0.871 111.5 55.6 -68.1 -36.3 -19.1 7.4 -23.9 39 39 A D H <5S+ 0 0 11 -4,-2.6 5,-0.4 -5,-0.2 -1,-0.2 0.865 108.3 49.5 -63.9 -35.7 -21.6 9.5 -21.9 40 40 A K H <5S+ 0 0 130 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.858 132.2 7.6 -68.1 -34.6 -24.2 9.1 -24.6 41 41 A A H <5S+ 0 0 58 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.721 130.1 28.4-123.7 -32.4 -23.9 5.3 -24.9 42 42 A V T X5S+ 0 0 25 -4,-2.4 4,-2.4 -5,-0.3 5,-0.3 0.821 100.6 64.1-112.5 -44.5 -21.7 3.5 -22.3 43 43 A T H > S+ 0 0 12 -5,-0.4 4,-2.6 -6,-0.3 5,-0.2 0.965 114.1 42.7 -63.6 -55.8 -25.1 5.0 -18.1 45 45 A P H > S+ 0 0 54 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.888 116.4 48.7 -62.5 -39.1 -25.6 1.3 -18.8 46 46 A V H X S+ 0 0 1 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.951 111.8 49.3 -63.9 -47.6 -22.3 0.3 -17.2 47 47 A S H X S+ 0 0 5 -4,-2.4 4,-0.6 -5,-0.3 3,-0.4 0.895 110.2 51.8 -57.6 -40.4 -23.1 2.3 -14.1 48 48 A D H >< S+ 0 0 104 -4,-2.6 3,-0.9 1,-0.2 4,-0.2 0.910 106.5 53.3 -61.7 -43.5 -26.5 0.7 -13.9 49 49 A K H 3< S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.735 118.6 34.9 -64.7 -23.7 -25.1 -2.8 -14.1 50 50 A V H >X S+ 0 0 2 -4,-1.2 4,-2.7 -3,-0.4 3,-2.4 0.310 82.4 108.3-113.3 8.9 -22.6 -2.1 -11.2 51 51 A A T << S+ 0 0 66 -3,-0.9 -1,-0.1 -4,-0.6 -2,-0.1 0.685 73.2 62.9 -65.9 -18.5 -24.8 0.2 -9.0 52 52 A D T 34 S+ 0 0 110 -4,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.631 117.9 27.1 -76.4 -14.1 -25.3 -2.6 -6.5 53 53 A L T <4 S+ 0 0 54 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.746 124.6 25.1-116.1 -43.5 -21.5 -2.6 -5.8 54 54 A V < - 0 0 3 -4,-2.7 2,-0.5 -7,-0.2 -1,-0.3 -0.934 67.9-122.5-132.8 153.6 -20.1 0.9 -6.6 55 55 A T E -c 23 0A 76 -33,-2.2 -31,-2.3 -2,-0.3 2,-0.3 -0.817 30.0-119.2 -96.7 127.3 -21.3 4.5 -6.7 56 56 A F E -c 24 0A 21 -2,-0.5 -31,-0.2 -33,-0.2 33,-0.1 -0.498 36.6-177.5 -64.5 125.6 -21.0 6.4 -10.0 57 57 A T E -c 25 0A 36 -33,-3.0 -31,-1.5 -2,-0.3 2,-0.1 -0.853 14.1-151.1-135.8 94.1 -18.8 9.4 -9.1 58 58 A P E -c 26 0A 5 0, 0.0 2,-0.5 0, 0.0 -31,-0.2 -0.444 8.0-167.6 -66.9 138.6 -18.0 12.0 -11.8 59 59 A F E -c 27 0A 8 -33,-2.7 -31,-2.1 -2,-0.1 2,-0.3 -0.974 13.0-147.6-122.6 112.1 -14.7 13.9 -11.6 60 60 A H E -c 28 0A 0 -2,-0.5 2,-0.8 -33,-0.2 97,-0.2 -0.633 11.0-132.3 -82.5 140.3 -14.5 16.9 -13.9 61 61 A L > - 0 0 9 -33,-2.6 3,-0.8 -2,-0.3 -31,-0.2 -0.801 19.0-171.4 -93.0 107.4 -11.1 17.8 -15.3 62 62 A E T 3 S+ 0 0 54 -2,-0.8 7,-0.5 92,-0.3 6,-0.2 0.697 74.0 69.3 -75.7 -16.5 -10.6 21.5 -14.8 63 63 A T T 3 S+ 0 0 81 5,-0.2 2,-0.3 4,-0.1 -1,-0.2 0.672 82.7 83.0 -78.9 -17.9 -7.4 21.8 -16.8 64 64 A K S < S+ 0 0 87 -3,-0.8 -34,-0.2 3,-0.1 -33,-0.1 -0.672 86.9 3.7 -95.3 141.1 -8.9 21.2 -20.3 65 65 A G S S- 0 0 38 -2,-0.3 3,-0.4 1,-0.2 -33,-0.0 -0.094 92.3 -77.1 80.4 175.6 -10.7 23.8 -22.4 66 66 A E S S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.726 129.6 38.9 -81.7 -21.8 -11.0 27.5 -21.7 67 67 A Y S > S+ 0 0 3 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.013 72.2 127.1-120.9 28.5 -13.8 27.0 -19.1 68 68 A G H > S+ 0 0 3 -3,-0.4 4,-2.3 -6,-0.2 -5,-0.2 0.904 78.9 43.5 -54.9 -46.9 -12.7 23.9 -17.3 69 69 A K H > S+ 0 0 67 -7,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.891 111.7 53.1 -72.0 -36.6 -13.0 25.4 -13.8 70 70 A Q H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.926 111.4 47.3 -60.7 -44.3 -16.3 27.1 -14.5 71 71 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.919 110.9 51.7 -61.5 -45.2 -17.7 23.8 -15.7 72 72 A S H X S+ 0 0 1 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.912 108.8 51.0 -57.3 -44.5 -16.3 22.1 -12.6 73 73 A E H X S+ 0 0 43 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.940 113.6 43.9 -61.5 -47.1 -17.9 24.7 -10.3 74 74 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.938 114.8 48.9 -63.2 -47.0 -21.3 24.2 -12.0 75 75 A F H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.910 110.3 51.3 -59.4 -43.4 -21.1 20.4 -12.0 76 76 A A H X S+ 0 0 1 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.916 112.8 46.0 -61.3 -42.9 -20.0 20.3 -8.3 77 77 A V H X S+ 0 0 4 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.933 115.5 45.7 -63.0 -45.4 -23.0 22.5 -7.4 78 78 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 18,-0.4 0.867 111.2 50.6 -72.9 -37.4 -25.5 20.5 -9.5 79 79 A I H X S+ 0 0 19 -4,-3.1 4,-2.7 -5,-0.2 5,-0.2 0.937 110.8 50.5 -61.4 -44.9 -24.2 17.1 -8.4 80 80 A A H X S+ 0 0 33 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.886 113.2 46.3 -59.2 -38.8 -24.6 18.3 -4.7 81 81 A K H X S+ 0 0 101 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.940 112.6 48.3 -71.5 -47.6 -28.1 19.4 -5.5 82 82 A D H <>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 4,-0.5 0.927 114.5 46.6 -55.4 -47.6 -29.2 16.3 -7.3 83 83 A K H ><5S+ 0 0 110 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.856 107.8 54.8 -70.9 -34.4 -27.8 14.1 -4.5 84 84 A A H 3<5S+ 0 0 89 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.929 111.9 46.5 -58.1 -42.4 -29.4 16.1 -1.8 85 85 A A T 3<5S- 0 0 70 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.508 116.5-116.1 -80.4 -6.4 -32.7 15.6 -3.6 86 86 A G T < 5 + 0 0 68 -3,-0.7 2,-0.5 -4,-0.5 -3,-0.2 0.725 63.5 150.0 78.1 22.5 -32.0 11.8 -4.1 87 87 A I < - 0 0 35 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.782 47.5-121.7 -94.3 127.1 -31.9 12.1 -7.8 88 88 A S > - 0 0 61 -2,-0.5 3,-1.5 1,-0.1 6,-0.2 -0.328 18.1-125.2 -60.0 144.2 -29.8 9.7 -9.9 89 89 A L T 3 S+ 0 0 10 1,-0.3 -1,-0.1 -33,-0.1 -2,-0.0 0.545 113.4 50.3 -71.7 -4.7 -27.1 11.4 -12.0 90 90 A F T 3 S+ 0 0 40 -46,-0.1 -1,-0.3 6,-0.0 -2,-0.1 0.426 84.7 115.3-107.7 -3.4 -28.6 9.5 -15.0 91 91 A D S X S- 0 0 64 -3,-1.5 3,-1.7 1,-0.1 6,-0.2 -0.337 76.1-123.2 -66.4 147.7 -32.2 10.5 -14.3 92 92 A A T 3 S+ 0 0 80 1,-0.3 -1,-0.1 5,-0.1 6,-0.1 0.801 114.7 53.7 -60.2 -26.5 -33.9 12.7 -16.9 93 93 A K T 3 S+ 0 0 133 -5,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.462 78.0 123.3 -88.1 -4.3 -34.5 15.2 -14.1 94 94 A S <> - 0 0 0 -3,-1.7 4,-2.0 1,-0.2 5,-0.1 -0.429 50.5-157.3 -61.7 124.2 -30.9 15.3 -13.1 95 95 A Q H > S+ 0 0 25 -17,-0.3 4,-2.3 -2,-0.2 5,-0.2 0.869 95.3 54.7 -69.6 -36.1 -29.7 19.0 -13.2 96 96 A F H > S+ 0 0 0 -18,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.941 109.1 47.6 -58.3 -48.4 -26.1 17.7 -13.5 97 97 A K H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.919 110.9 50.6 -61.8 -44.8 -27.1 15.6 -16.5 98 98 A K H X S+ 0 0 95 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.928 113.7 44.1 -60.5 -46.7 -28.9 18.4 -18.2 99 99 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.927 112.7 53.0 -63.4 -45.6 -26.0 20.9 -17.9 100 100 A K H X S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.932 112.3 42.5 -56.6 -50.3 -23.5 18.2 -18.9 101 101 A F H X S+ 0 0 51 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.822 110.1 57.4 -72.7 -27.1 -25.3 17.3 -22.2 102 102 A A H X S+ 0 0 26 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.926 111.3 43.4 -64.4 -43.6 -26.0 21.0 -23.0 103 103 A W H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.902 112.0 52.8 -68.1 -41.6 -22.3 21.7 -22.8 104 104 A Y H X>S+ 0 0 1 -4,-2.4 4,-2.8 -5,-0.2 5,-0.7 0.945 113.3 44.3 -56.9 -49.1 -21.4 18.6 -24.8 105 105 A A H X>S+ 0 0 34 -4,-2.4 5,-1.9 3,-0.2 4,-1.7 0.948 115.2 47.4 -62.6 -49.2 -23.8 19.5 -27.6 106 106 A A H <5S+ 0 0 18 -4,-2.5 6,-2.9 -5,-0.2 4,-0.3 0.941 120.5 37.1 -58.3 -48.0 -22.8 23.2 -27.7 107 107 A Y H <5S+ 0 0 43 -4,-2.9 4,-0.2 4,-0.2 -2,-0.2 0.933 129.5 26.7 -73.4 -47.5 -19.1 22.4 -27.7 108 108 A H H <5S+ 0 0 17 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.832 130.3 33.0 -90.5 -36.1 -18.9 19.3 -29.9 109 109 A D T <> - 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0 0 43 -169,-2.0 3,-1.6 -2,-0.2 4,-0.5 -0.781 19.7-159.0 -83.7 107.7 -7.8 1.4 -20.4 179 179 A T G > S+ 0 0 17 -2,-0.9 3,-1.6 -12,-0.3 -1,-0.2 0.891 88.2 57.5 -53.6 -43.6 -10.5 3.1 -22.5 180 180 A K G 3 S+ 0 0 166 1,-0.3 -1,-0.3 -16,-0.1 -171,-0.1 0.644 107.8 48.6 -66.5 -14.9 -9.1 1.9 -25.8 181 181 A N G < S+ 0 0 48 -3,-1.6 -1,-0.3 -172,-0.1 2,-0.3 0.391 76.1 122.8-107.1 2.1 -9.3 -1.7 -24.7 182 182 A I < - 0 0 28 -3,-1.6 3,-0.1 -4,-0.5 -3,-0.0 -0.495 41.5-170.0 -62.5 126.9 -12.9 -1.6 -23.5 183 183 A K - 0 0 169 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.888 53.7 -32.2 -90.1 -42.9 -14.7 -4.3 -25.5 184 184 A S > - 0 0 57 1,-0.1 4,-2.7 -142,-0.0 -1,-0.3 -0.962 60.1 -92.0-165.0 172.7 -18.3 -3.7 -24.7 185 185 A I H > S+ 0 0 48 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.936 124.8 47.8 -62.9 -46.7 -20.8 -2.6 -22.0 186 186 A D H > S+ 0 0 103 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.882 115.2 46.2 -63.9 -38.5 -21.3 -6.1 -20.7 187 187 A S H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.948 112.9 48.3 -66.6 -50.8 -17.5 -6.7 -20.6 188 188 A M H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.879 107.9 55.4 -60.2 -39.9 -16.7 -3.4 -19.0 189 189 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.928 110.3 45.3 -60.4 -43.2 -19.4 -3.9 -16.3 190 190 A E H X S+ 0 0 108 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.869 110.5 54.8 -67.7 -35.1 -17.8 -7.2 -15.4 191 191 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.945 109.3 47.4 -59.7 -49.1 -14.4 -5.6 -15.4 192 192 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.922 112.1 49.6 -57.6 -44.6 -15.6 -3.0 -12.9 193 193 A R H X S+ 0 0 66 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.901 111.2 49.6 -63.8 -40.2 -17.2 -5.7 -10.7 194 194 A E H < S+ 0 0 24 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.921 114.6 43.9 -62.6 -45.0 -13.9 -7.7 -10.7 195 195 A L H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.866 108.8 58.4 -68.4 -34.4 -11.9 -4.6 -9.8 196 196 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.752 106.6 47.6 -70.1 -24.7 -14.4 -3.5 -7.2 197 197 A T T 3< S+ 0 0 92 -4,-1.1 2,-0.3 -3,-0.4 -1,-0.3 0.208 80.2 121.4-106.5 13.2 -14.1 -6.7 -5.2 198 198 A K < 0 0 63 -3,-1.3 -3,-0.0 1,-0.1 -4,-0.0 -0.598 360.0 360.0 -72.2 136.4 -10.3 -6.9 -5.2 199 199 A K 0 0 244 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.1 -0.234 360.0 360.0 -56.4 360.0 -8.9 -7.0 -1.6