==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-DEC-12 4IFU . COMPND 2 MOLECULE: THIAMINE BIOSYNTHESIS LIPOPROTEIN APBE; . SOURCE 2 ORGANISM_SCIENTIFIC: TREPONEMA PALLIDUM SUBSP. PALLIDUM; . AUTHOR D.R.TOMCHICK,C.A.BRAUTIGAM,R.K.DEKA,M.V.NORGARD . 330 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 4 1 4 2 0 0 1 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 . 2 2 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 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 5 A A 0 0 125 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 149.5 55.1 53.8 -17.4 2 6 A R - 0 0 164 22,-0.2 2,-0.4 1,-0.0 21,-0.0 -0.670 360.0-124.8-106.6 145.3 56.5 50.9 -15.5 3 7 A V - 0 0 53 -2,-0.3 2,-0.3 19,-0.1 21,-0.2 -0.682 30.6-173.0 -82.7 134.2 55.0 48.5 -12.9 4 8 A R E -A 23 0A 87 19,-2.4 19,-2.4 -2,-0.4 2,-0.4 -0.950 16.3-139.1-125.1 152.5 56.9 48.4 -9.6 5 9 A E E -A 22 0A 109 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.910 22.6-176.6-112.0 136.8 56.4 46.1 -6.7 6 10 A Y E -A 21 0A 45 15,-2.8 15,-3.1 -2,-0.4 2,-0.3 -0.959 5.9-178.6-131.5 147.0 56.6 47.5 -3.1 7 11 A S E +A 20 0A 65 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.990 3.7 177.9-142.6 151.1 56.4 45.9 0.3 8 12 A R E -A 19 0A 59 11,-1.7 11,-2.4 -2,-0.3 2,-0.3 -0.972 5.0-178.1-149.5 143.7 56.5 47.2 3.9 9 13 A A E +A 18 0A 37 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 5.2 167.3-145.7 142.2 56.2 45.3 7.2 10 14 A E E -A 17 0A 54 7,-2.0 7,-2.6 -2,-0.3 2,-0.6 -0.983 41.4-105.4-148.5 155.1 56.2 46.3 10.8 11 15 A L E +A 16 0A 137 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.759 62.3 139.4 -79.5 119.7 55.3 44.8 14.2 12 16 A V E > +A 15 0A 4 3,-2.9 3,-2.1 -2,-0.6 30,-0.1 -0.977 50.6 24.8-165.0 156.3 52.0 46.4 15.2 13 17 A I T 3 S- 0 0 35 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.827 131.6 -60.4 43.3 38.6 48.7 45.4 16.8 14 18 A G T 3 S+ 0 0 72 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.536 122.3 58.6 77.5 9.2 50.6 42.6 18.5 15 19 A T E < S-A 12 0A 40 -3,-2.1 -3,-2.9 -5,-0.1 2,-0.6 -0.908 92.9 -75.0-157.6 176.0 51.7 40.9 15.3 16 20 A L E -A 11 0A 85 -2,-0.3 169,-2.5 -5,-0.2 2,-0.4 -0.752 42.9-169.9 -86.7 121.8 53.6 41.2 12.0 17 21 A C E +AB 10 184A 0 -7,-2.6 -7,-2.0 -2,-0.6 2,-0.4 -0.969 7.2 177.4-113.6 132.4 51.7 43.2 9.4 18 22 A R E -AB 9 183A 109 165,-2.6 165,-2.7 -2,-0.4 2,-0.4 -0.985 11.6-168.1-136.7 134.9 52.9 43.3 5.8 19 23 A V E -AB 8 182A 0 -11,-2.4 -11,-1.7 -2,-0.4 2,-0.4 -1.000 3.4-167.4-123.9 133.1 51.5 45.0 2.7 20 24 A R E -AB 7 181A 69 161,-2.0 161,-2.2 -2,-0.4 2,-0.4 -0.952 11.4-173.2-118.8 134.1 52.7 44.3 -0.8 21 25 A V E -AB 6 180A 0 -15,-3.1 -15,-2.8 -2,-0.4 2,-0.4 -0.990 18.4-159.3-130.8 141.9 51.6 46.6 -3.7 22 26 A Y E +A 5 0A 25 157,-2.0 156,-0.3 -2,-0.4 2,-0.3 -0.985 33.2 153.3-112.2 131.4 52.0 46.5 -7.5 23 27 A S E -A 4 0A 7 -19,-2.4 -19,-2.4 -2,-0.4 154,-0.1 -0.999 48.5-155.1-158.6 148.3 51.6 49.9 -9.0 24 28 A K + 0 0 113 -2,-0.3 -22,-0.2 -21,-0.2 3,-0.1 0.336 68.9 110.0-100.5 1.3 52.5 52.1 -12.0 25 29 A R S S- 0 0 98 1,-0.2 5,-0.1 -21,-0.1 -2,-0.1 -0.353 88.4 -74.0 -69.4 159.2 51.9 55.3 -9.9 26 30 A P >> - 0 0 70 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.225 43.7-120.8 -51.5 140.3 54.9 57.4 -9.0 27 31 A A H 3> S+ 0 0 48 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.869 111.8 60.8 -51.6 -42.0 56.9 55.8 -6.2 28 32 A A H 3> S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.852 102.9 52.3 -61.2 -31.5 56.3 58.8 -3.9 29 33 A E H <> S+ 0 0 75 -3,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.876 110.4 46.4 -69.3 -35.7 52.5 58.2 -4.1 30 34 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.2 5,-0.2 0.926 111.6 51.5 -73.3 -40.6 52.9 54.5 -3.1 31 35 A H H X S+ 0 0 111 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.904 107.6 53.4 -59.4 -42.0 55.2 55.4 -0.3 32 36 A A H X S+ 0 0 42 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.906 109.5 48.4 -58.8 -43.9 52.7 57.9 0.9 33 37 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.903 112.0 48.2 -63.8 -46.8 49.9 55.3 1.0 34 38 A L H X S+ 0 0 9 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.862 106.8 56.4 -64.8 -36.5 52.1 52.8 2.8 35 39 A E H X S+ 0 0 75 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.936 110.9 45.9 -56.8 -42.5 53.1 55.4 5.4 36 40 A E H X S+ 0 0 88 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.848 106.2 58.7 -73.8 -34.2 49.4 55.9 6.1 37 41 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.950 111.6 40.5 -56.9 -49.6 48.6 52.2 6.3 38 42 A F H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.835 113.1 53.5 -78.1 -25.8 51.1 51.8 9.1 39 43 A T H X S+ 0 0 42 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.947 109.4 50.6 -65.2 -46.4 50.0 55.1 10.8 40 44 A L H X S+ 0 0 17 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.879 108.0 52.3 -54.3 -44.4 46.4 53.8 10.7 41 45 A L H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.905 111.4 47.2 -63.8 -40.2 47.5 50.5 12.3 42 46 A Q H X S+ 0 0 90 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.947 113.0 47.3 -64.9 -46.4 49.2 52.4 15.1 43 47 A Q H >< S+ 0 0 117 -4,-2.8 3,-0.8 1,-0.2 4,-0.2 0.905 112.4 50.6 -62.5 -39.3 46.3 54.7 15.7 44 48 A Q H >X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.3 3,-1.4 0.810 95.9 67.1 -76.7 -23.1 43.8 51.8 15.7 45 49 A E H 3X S+ 0 0 34 -4,-1.5 4,-1.2 1,-0.3 -1,-0.3 0.876 103.2 50.8 -56.5 -30.9 45.9 49.7 18.2 46 50 A M H << S+ 0 0 70 -4,-0.8 10,-1.6 -3,-0.8 -1,-0.3 0.479 113.1 43.0 -89.5 -7.6 44.8 52.5 20.6 47 51 A V H <4 S+ 0 0 22 -3,-1.4 10,-1.8 8,-0.2 -2,-0.2 0.824 123.6 28.9 -93.2 -51.8 41.1 52.3 19.8 48 52 A L H < S+ 0 0 12 -4,-2.5 108,-0.4 8,-0.2 -2,-0.2 0.554 80.6 120.6 -94.3 -15.6 40.5 48.6 19.7 49 53 A S < - 0 0 17 -4,-1.2 3,-0.4 -5,-0.3 9,-0.4 -0.324 35.8-171.3 -69.3 133.4 43.0 46.9 22.0 50 54 A A S S+ 0 0 23 1,-0.2 -1,-0.2 7,-0.1 104,-0.0 0.727 85.1 54.9 -87.9 -25.3 41.5 44.8 24.9 51 55 A N S S+ 0 0 130 2,-0.0 2,-0.3 51,-0.0 -1,-0.2 -0.229 93.0 78.4-106.3 40.9 44.9 44.3 26.5 52 56 A R > - 0 0 88 -3,-0.4 3,-0.6 1,-0.1 6,-0.2 -0.973 66.4-144.7-146.3 135.7 46.0 47.9 26.9 53 57 A D T 3 S+ 0 0 155 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.710 94.5 57.6 -72.2 -21.8 44.9 50.4 29.6 54 58 A D T 3 S+ 0 0 120 4,-0.1 -1,-0.2 5,-0.0 -8,-0.1 0.707 82.4 106.1 -83.5 -22.2 45.0 53.4 27.3 55 59 A S S <> S- 0 0 1 -3,-0.6 4,-2.0 -6,-0.1 -8,-0.2 -0.073 76.4-120.6 -72.9 160.4 42.7 52.4 24.6 56 60 A A H > S+ 0 0 43 -10,-1.6 4,-1.8 1,-0.2 -8,-0.2 0.836 114.6 54.7 -63.2 -34.2 39.1 53.5 23.9 57 61 A L H > S+ 0 0 0 -10,-1.8 4,-2.4 2,-0.2 97,-0.2 0.878 106.6 50.0 -66.2 -38.8 37.9 50.0 24.3 58 62 A A H > S+ 0 0 22 -9,-0.4 4,-1.9 -6,-0.2 -2,-0.2 0.907 110.3 50.6 -66.5 -41.0 39.5 49.7 27.7 59 63 A A H < S+ 0 0 57 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.849 110.0 50.7 -62.0 -38.4 37.8 53.0 28.7 60 64 A L H >< S+ 0 0 3 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.913 110.1 49.2 -64.0 -44.5 34.5 51.6 27.5 61 65 A N H >< S+ 0 0 7 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.828 98.8 66.5 -65.6 -32.1 34.9 48.5 29.5 62 66 A A T 3< S+ 0 0 75 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.598 100.2 54.2 -64.7 -6.3 35.8 50.5 32.6 63 67 A Q T < S+ 0 0 88 -3,-1.6 3,-0.4 -4,-0.2 84,-0.3 0.113 72.4 141.4-115.0 19.7 32.1 51.7 32.4 64 68 A A S < S+ 0 0 23 -3,-1.7 87,-0.3 1,-0.2 84,-0.1 -0.457 72.2 24.4 -62.7 130.2 30.4 48.3 32.4 65 69 A G S S+ 0 0 44 82,-2.6 -1,-0.2 1,-0.3 2,-0.2 0.946 115.8 74.5 73.2 53.0 27.2 48.6 34.4 66 70 A S S S- 0 0 65 81,-0.6 -1,-0.3 -3,-0.4 3,-0.1 -0.825 85.7 -32.9-163.0-152.4 26.8 52.3 34.0 67 71 A A S S- 0 0 57 -2,-0.2 80,-0.2 1,-0.1 78,-0.1 -0.344 70.3 -81.4 -84.5 161.2 25.8 55.1 31.6 68 72 A P - 0 0 60 0, 0.0 2,-0.4 0, 0.0 78,-0.2 -0.204 42.0-143.3 -60.3 148.1 26.2 55.1 27.8 69 73 A V E -I 145 0B 36 76,-2.9 76,-2.2 -3,-0.1 2,-0.3 -0.925 13.2-121.5-118.5 137.1 29.7 56.0 26.4 70 74 A V E +I 144 0B 98 -2,-0.4 2,-0.3 74,-0.2 74,-0.2 -0.632 35.1 179.4 -80.3 134.2 30.3 58.0 23.2 71 75 A V E -I 143 0B 19 72,-2.3 72,-0.6 -2,-0.3 2,-0.0 -0.909 32.8 -93.6-130.7 156.3 32.4 56.3 20.5 72 76 A D > - 0 0 74 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.292 41.5-107.8 -68.6 160.2 33.6 57.2 17.0 73 77 A R H > S+ 0 0 178 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.794 116.3 55.9 -62.1 -31.4 31.5 56.1 14.1 74 78 A S H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 107.9 44.9 -71.4 -45.1 34.0 53.4 13.1 75 79 A L H > S+ 0 0 2 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.901 112.8 53.3 -65.1 -42.3 34.0 51.6 16.4 76 80 A Y H X S+ 0 0 17 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.953 109.1 48.4 -54.1 -48.9 30.3 51.8 16.5 77 81 A A H X S+ 0 0 50 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.844 110.8 51.1 -65.3 -36.1 30.0 50.2 13.1 78 82 A L H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.933 110.8 48.3 -64.7 -47.2 32.4 47.5 14.0 79 83 A L H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.910 108.8 54.0 -62.1 -39.0 30.4 46.7 17.2 80 84 A E H X S+ 0 0 105 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.932 111.1 45.6 -56.5 -46.1 27.2 46.6 15.2 81 85 A R H X S+ 0 0 74 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.923 111.1 53.0 -67.9 -39.8 28.7 44.1 12.8 82 86 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.900 109.5 48.2 -63.0 -42.2 30.1 42.0 15.7 83 87 A L H X S+ 0 0 30 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.865 107.3 56.8 -67.0 -36.5 26.6 41.8 17.3 84 88 A F H X S+ 0 0 77 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.949 110.8 43.2 -55.1 -47.9 25.1 40.8 14.0 85 89 A F H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 8,-0.3 0.866 109.5 56.9 -73.1 -30.4 27.4 37.8 13.8 86 90 A A H <>S+ 0 0 0 -4,-2.1 5,-2.6 -5,-0.2 4,-0.3 0.943 111.4 44.1 -60.8 -46.0 26.9 37.0 17.5 87 91 A E H ><5S+ 0 0 114 -4,-2.6 3,-1.1 3,-0.2 -2,-0.2 0.948 115.7 46.0 -63.1 -51.5 23.1 36.8 16.7 88 92 A K H 3<5S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.826 115.1 46.5 -62.6 -32.9 23.5 34.8 13.5 89 93 A S T ><5S- 0 0 11 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.2 0.403 110.5-118.3 -91.9 1.0 26.1 32.3 15.0 90 94 A G T < 5S- 0 0 67 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.879 74.8 -50.6 64.7 35.0 24.1 31.8 18.1 91 95 A G T 3 - 0 0 22 -2,-0.5 3,-0.9 61,-0.1 64,-0.1 -0.897 26.7-167.1-148.1 112.2 30.7 36.6 20.9 95 99 A P T 3 S+ 0 0 2 0, 0.0 60,-2.4 0, 0.0 3,-0.2 0.421 87.7 65.0 -82.5 -0.1 32.3 40.0 21.2 96 100 A A T 3 + 0 0 0 30,-0.3 57,-0.5 58,-0.2 3,-0.4 -0.087 67.6 106.7-108.1 28.8 31.3 40.2 24.9 97 101 A L X> + 0 0 18 -3,-0.9 4,-2.6 58,-0.3 3,-1.0 0.314 38.8 115.4 -91.8 10.7 33.5 37.3 26.0 98 102 A G H 3> + 0 0 0 55,-1.9 4,-2.6 1,-0.3 5,-0.2 0.810 67.8 58.0 -51.9 -40.0 36.1 39.5 27.7 99 103 A A H 3> S+ 0 0 8 54,-0.4 4,-0.9 -3,-0.4 -1,-0.3 0.896 115.0 38.5 -61.4 -37.3 35.5 38.3 31.2 100 104 A V H <> S+ 0 0 0 -3,-1.0 4,-2.2 22,-0.2 3,-0.3 0.925 114.7 52.2 -76.6 -45.6 36.4 34.8 30.1 101 105 A V H X S+ 0 0 27 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.892 105.6 56.2 -59.4 -40.9 39.2 35.7 27.7 102 106 A K H X S+ 0 0 63 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.887 106.6 49.9 -61.1 -39.3 40.9 37.7 30.4 103 107 A L H X S+ 0 0 39 -4,-0.9 4,-1.7 -3,-0.3 3,-0.2 0.933 114.1 44.7 -62.9 -47.5 41.0 34.6 32.7 104 108 A W H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.874 106.6 61.2 -65.3 -35.6 42.5 32.5 29.9 105 109 A N H X S+ 0 0 32 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.841 107.2 43.3 -62.8 -35.5 44.9 35.3 29.0 106 110 A I H X S+ 0 0 77 -4,-1.5 4,-1.9 -3,-0.2 -1,-0.2 0.859 108.9 61.3 -73.9 -33.9 46.5 35.1 32.4 107 111 A G H X>S+ 0 0 2 -4,-1.7 5,-1.9 2,-0.2 4,-1.8 0.911 104.7 47.2 -52.1 -45.8 46.4 31.4 32.1 108 112 A F H ><5S+ 0 0 31 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.957 112.5 48.2 -62.9 -50.8 48.6 31.6 29.0 109 113 A D H 3<5S+ 0 0 135 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.755 122.9 35.7 -60.9 -24.2 51.0 33.9 30.8 110 114 A R H 3<5S- 0 0 181 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.536 101.6-123.3-106.8 -11.0 51.0 31.5 33.8 111 115 A A T <<5S+ 0 0 39 -4,-1.8 2,-0.4 -3,-0.5 -3,-0.2 0.820 72.8 125.1 65.2 32.8 50.8 28.1 32.1 112 116 A A < - 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