==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 19-NOV-12 3W1O . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS MC58; . AUTHOR H.C.WANG,T.P.KO,M.L.WU,A.H.J.WANG . 230 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 68.7 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 . 32 13.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 2 4 0 2 0 0 1 1 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 . 2 0 2 4 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 2 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 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 4 A H 0 0 176 0, 0.0 3,-0.1 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 106.7 22.0 -14.8 -10.4 2 5 A N - 0 0 50 1,-0.1 35,-0.2 113,-0.1 2,-0.1 -0.076 360.0 -95.1 -57.5 154.5 25.3 -16.7 -9.8 3 6 A L E -A 36 0A 0 33,-1.3 33,-2.8 112,-0.1 2,-0.4 -0.457 43.5-155.8 -62.4 134.5 27.5 -16.0 -6.8 4 7 A L E -AB 35 114A 0 110,-3.0 110,-2.8 31,-0.2 2,-0.5 -0.953 19.9-174.1-117.9 141.2 30.3 -13.6 -7.6 5 8 A I E +AB 34 113A 2 29,-2.1 29,-2.9 -2,-0.4 2,-0.3 -0.994 40.5 131.4-121.5 121.2 33.6 -13.1 -6.0 6 9 A F E -AB 33 112A 0 106,-2.7 106,-3.7 -2,-0.5 2,-0.3 -0.981 44.0-149.8-156.5 169.1 35.3 -10.1 -7.6 7 10 A C - 0 0 0 25,-1.9 2,-0.2 -2,-0.3 104,-0.1 -0.899 40.9 -95.5-135.2 164.1 37.1 -6.8 -7.6 8 11 A L - 0 0 5 102,-0.4 2,-0.1 -2,-0.3 12,-0.0 -0.485 46.5-100.2 -67.6 153.4 37.0 -3.9 -10.0 9 12 A K > - 0 0 73 -2,-0.2 3,-2.0 1,-0.1 -1,-0.1 -0.364 39.8 -95.2 -67.2 156.0 39.6 -3.7 -12.7 10 13 A D T 3 S+ 0 0 65 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.846 121.5 36.6 -39.5 -52.6 42.6 -1.4 -12.4 11 14 A N T 3 S+ 0 0 136 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.117 97.0 94.0-108.0 37.4 41.1 1.5 -14.3 12 15 A V < + 0 0 29 -3,-2.0 2,-0.5 2,-0.1 -4,-0.1 -0.988 42.5 174.6-121.3 118.5 37.5 1.3 -13.2 13 16 A S + 0 0 52 -2,-0.5 2,-0.4 177,-0.0 174,-0.0 -0.978 10.8 157.9-124.9 112.8 36.3 3.3 -10.2 14 17 A I - 0 0 36 -2,-0.5 160,-0.1 1,-0.1 -6,-0.1 -0.989 13.4-178.2-127.1 121.3 32.7 3.0 -9.7 15 18 A S + 0 0 9 -2,-0.4 171,-2.5 158,-0.4 2,-0.3 0.739 52.5 94.9 -99.1 -24.3 31.8 3.9 -6.1 16 19 A E B > S-E 185 0B 51 169,-0.2 4,-1.7 157,-0.2 169,-0.3 -0.517 71.1-142.1 -71.6 128.0 28.1 3.3 -5.9 17 20 A Y H > S+ 0 0 19 167,-2.8 4,-2.2 -2,-0.3 3,-0.4 0.914 97.8 49.2 -61.0 -47.1 27.7 -0.2 -4.6 18 21 A T H > S+ 0 0 87 166,-0.3 4,-2.6 1,-0.3 -1,-0.2 0.911 111.6 51.6 -58.9 -41.4 24.7 -1.3 -6.7 19 22 A E H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.792 106.3 53.6 -63.8 -33.2 26.6 0.0 -9.7 20 23 A M H X S+ 0 0 11 -4,-1.7 4,-2.3 -3,-0.4 -1,-0.2 0.890 110.4 47.6 -67.4 -41.9 29.7 -2.1 -8.8 21 24 A I H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.932 111.3 50.3 -64.5 -44.5 27.5 -5.2 -8.6 22 25 A D H X S+ 0 0 82 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.927 109.3 52.5 -57.0 -45.2 26.0 -4.3 -12.0 23 26 A W H X S+ 0 0 28 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.919 108.4 50.4 -55.7 -46.4 29.5 -3.8 -13.4 24 27 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.932 110.4 47.7 -62.7 -47.0 30.5 -7.3 -12.2 25 28 A Y H 3< S+ 0 0 40 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.798 115.0 48.3 -64.8 -28.4 27.5 -9.1 -13.7 26 29 A K H 3< S+ 0 0 164 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.499 113.7 47.4 -82.6 -9.9 28.3 -7.1 -16.9 27 30 A N X< + 0 0 33 -3,-1.3 3,-2.2 -4,-0.7 -1,-0.2 -0.242 59.7 137.8-128.3 42.1 32.0 -8.0 -16.9 28 31 A I T 3 S+ 0 0 50 -3,-0.5 7,-0.2 1,-0.3 5,-0.1 0.739 70.2 67.6 -60.1 -18.4 32.0 -11.7 -16.2 29 32 A Q T 3 S+ 0 0 130 -3,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.748 79.8 110.3 -72.2 -19.5 34.7 -11.9 -18.9 30 33 A S S X S- 0 0 6 -3,-2.2 3,-1.8 -6,-0.2 -3,-0.1 -0.265 72.1-138.5 -60.1 139.4 37.0 -10.1 -16.5 31 34 A E T 3 S+ 0 0 113 1,-0.3 -1,-0.2 3,-0.1 72,-0.1 0.662 106.5 62.8 -62.0 -14.6 39.9 -11.9 -14.8 32 35 A T T 3 S+ 0 0 0 -5,-0.2 -25,-1.9 71,-0.1 2,-0.5 0.426 94.4 72.1 -93.7 1.4 38.8 -9.9 -11.7 33 36 A V E < -A 6 0A 13 -3,-1.8 2,-0.6 -27,-0.2 -27,-0.2 -0.969 58.8-167.6-122.9 126.6 35.4 -11.6 -11.6 34 37 A V E -A 5 0A 9 -29,-2.9 -29,-2.1 -2,-0.5 2,-0.5 -0.969 8.3-160.4-110.4 122.6 34.8 -15.2 -10.6 35 38 A E E -A 4 0A 83 -2,-0.6 2,-0.5 -31,-0.2 -31,-0.2 -0.864 10.0-164.4 -98.0 131.7 31.2 -16.4 -11.4 36 39 A I E -A 3 0A 0 -33,-2.8 -33,-1.3 -2,-0.5 2,-0.1 -0.965 5.4-147.2-126.1 122.9 30.3 -19.5 -9.3 37 40 A T > - 0 0 50 -2,-0.5 4,-2.6 -35,-0.2 5,-0.2 -0.317 29.4-105.6 -86.4 166.3 27.4 -21.7 -10.2 38 41 A E H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 122.2 52.4 -48.4 -45.0 25.1 -23.7 -7.8 39 42 A N H > S+ 0 0 127 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.885 110.4 47.1 -68.9 -34.8 26.9 -26.9 -8.8 40 43 A Q H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.867 109.7 54.4 -66.3 -41.1 30.3 -25.4 -8.0 41 44 A I H X S+ 0 0 21 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.943 114.1 41.1 -57.8 -46.1 28.9 -24.1 -4.7 42 45 A I H X S+ 0 0 94 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.954 113.2 52.2 -70.8 -45.0 27.8 -27.6 -3.8 43 46 A E H X S+ 0 0 97 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.935 117.3 39.0 -53.7 -50.7 30.9 -29.4 -5.1 44 47 A Y H X>S+ 0 0 11 -4,-2.4 5,-2.3 2,-0.2 4,-0.6 0.772 108.6 60.6 -77.5 -26.9 33.1 -27.1 -3.1 45 48 A Q H ><5S+ 0 0 38 -4,-2.3 3,-1.6 -5,-0.3 6,-0.2 0.973 106.9 47.8 -54.6 -54.4 31.0 -27.0 -0.0 46 49 A N H 3<5S+ 0 0 117 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.657 111.7 50.8 -70.3 -11.3 31.3 -30.7 0.3 47 50 A R H 3<5S- 0 0 108 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.488 118.3-109.6-101.6 -4.3 35.1 -30.5 -0.2 48 51 A G T S+ 0 0 0 -6,-0.4 4,-3.2 1,-0.2 -1,-0.2 0.911 110.5 56.3 -74.6 -34.9 33.9 -22.4 2.0 51 54 A R H > S+ 0 0 116 -6,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.889 105.5 52.6 -57.7 -37.7 34.8 -23.6 5.4 52 55 A L H < S+ 0 0 34 -4,-1.8 3,-0.4 2,-0.2 4,-0.4 0.922 111.2 45.7 -62.8 -45.0 38.4 -22.7 4.6 53 56 A V H >X S+ 0 0 5 -4,-1.8 4,-2.2 1,-0.2 3,-1.9 0.922 107.5 58.7 -61.3 -42.4 37.3 -19.2 3.7 54 57 A S H 3X S+ 0 0 13 -4,-3.2 4,-2.1 6,-0.3 -1,-0.2 0.723 89.6 72.4 -63.7 -23.8 35.1 -19.0 6.8 55 58 A E H 3< S+ 0 0 106 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.800 112.7 27.6 -60.9 -29.1 38.3 -19.6 9.0 56 59 A I H <4 S+ 0 0 47 -3,-1.9 -2,-0.2 -4,-0.4 -1,-0.2 0.807 132.2 33.6 -95.2 -44.3 39.3 -16.1 8.1 57 60 A T H < S- 0 0 14 -4,-2.2 74,-0.4 2,-0.2 75,-0.2 0.685 87.1-139.5 -92.0 -19.2 36.0 -14.3 7.5 58 61 A D S < S+ 0 0 116 -4,-2.1 2,-0.3 -5,-0.3 3,-0.2 0.720 70.9 103.3 61.5 23.1 33.8 -16.1 10.0 59 62 A N + 0 0 27 1,-0.2 -1,-0.3 -9,-0.1 -2,-0.2 -0.809 61.1 37.0-123.2 170.3 31.1 -16.1 7.4 60 63 A W > + 0 0 14 -2,-0.3 3,-1.5 3,-0.2 -6,-0.3 0.851 60.7 156.2 54.8 36.7 29.7 -18.9 5.1 61 64 A L T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -3,-0.2 -10,-0.1 0.852 85.5 29.9 -58.6 -33.2 30.2 -21.5 7.8 62 65 A F T 3 S- 0 0 192 1,-0.5 -1,-0.3 -12,-0.1 -2,-0.1 0.018 133.3 -87.2-111.5 25.1 27.6 -23.5 5.9 63 66 A G < - 0 0 9 -3,-1.5 -1,-0.5 -4,-0.1 -3,-0.2 -0.253 67.1 -35.3 93.6 174.7 28.4 -22.1 2.5 64 67 A P + 0 0 21 0, 0.0 2,-0.3 0, 0.0 -14,-0.0 -0.194 54.9 171.8 -70.4 156.8 27.3 -19.0 0.7 65 68 A S - 0 0 65 50,-0.0 50,-0.1 0, 0.0 2,-0.1 -0.904 49.2 -54.7-148.9 178.2 23.8 -17.5 0.8 66 69 A E S S+ 0 0 167 -2,-0.3 2,-0.3 48,-0.1 48,-0.0 -0.362 91.5 78.9 -62.1 134.6 22.2 -14.3 -0.4 67 70 A G S S- 0 0 14 48,-2.8 48,-2.2 -2,-0.1 2,-0.4 -0.959 71.4 -90.8 155.7-173.1 24.1 -11.3 0.8 68 71 A D E -C 114 0A 36 -2,-0.3 65,-2.7 46,-0.2 2,-0.4 -0.999 30.3-177.6-139.2 137.3 27.1 -9.0 0.3 69 72 A W E -CD 113 132A 12 44,-2.4 44,-2.8 -2,-0.4 2,-0.4 -0.979 11.0-155.7-139.7 140.1 30.5 -9.4 1.9 70 73 A L E -C 112 0A 8 61,-2.7 2,-0.4 -2,-0.4 42,-0.2 -0.993 7.6-156.5-126.4 131.3 33.5 -7.1 1.6 71 74 A I E -C 111 0A 2 40,-2.9 40,-2.0 -2,-0.4 2,-0.2 -0.894 9.4-150.0-116.8 124.0 37.0 -8.4 2.2 72 75 A D > - 0 0 20 -2,-0.4 4,-3.0 38,-0.2 3,-0.5 -0.498 35.3 -92.4 -89.8 167.8 39.8 -6.0 3.1 73 76 A K H > S+ 0 0 72 151,-0.5 4,-2.5 1,-0.2 5,-0.3 0.857 124.2 53.0 -47.8 -48.8 43.6 -6.4 2.3 74 77 A E H > S+ 0 0 114 150,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.937 115.8 39.3 -52.8 -50.1 44.4 -8.2 5.6 75 78 A S H > S+ 0 0 7 -3,-0.5 4,-3.0 2,-0.2 5,-0.3 0.854 111.3 59.0 -71.0 -35.5 41.6 -10.8 5.0 76 79 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.936 110.1 43.2 -55.8 -48.8 42.4 -11.0 1.3 77 80 A L H X S+ 0 0 67 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.901 114.1 50.7 -65.3 -43.2 46.0 -12.0 2.1 78 81 A A H X S+ 0 0 34 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.892 113.7 44.0 -63.2 -43.0 44.9 -14.4 4.8 79 82 A V H X S+ 0 0 1 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.925 111.6 54.7 -68.0 -41.7 42.3 -16.1 2.6 80 83 A K H X S+ 0 0 27 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.905 108.4 48.4 -57.5 -44.4 44.8 -16.3 -0.3 81 84 A E H X S+ 0 0 99 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.924 109.9 52.4 -59.2 -48.3 47.3 -18.1 2.0 82 85 A K H < S+ 0 0 69 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.905 114.2 43.3 -55.1 -46.6 44.6 -20.6 3.1 83 86 A L H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.899 110.7 52.8 -69.8 -42.3 43.7 -21.4 -0.5 84 87 A Q H 3< S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.815 114.4 44.6 -61.6 -30.6 47.4 -21.6 -1.8 85 88 A N T 3< S+ 0 0 115 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.404 97.0 107.3 -93.0 3.9 48.1 -24.1 1.0 86 89 A S S X S- 0 0 17 -3,-1.2 3,-1.1 -4,-0.3 4,-0.1 -0.189 82.2-109.8 -85.0 171.8 44.9 -26.1 0.5 87 90 A D T 3 S+ 0 0 160 1,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.575 119.9 40.8 -76.6 -10.7 44.3 -29.6 -0.9 88 91 A F T > S+ 0 0 10 -5,-0.2 3,-2.0 1,-0.1 6,-0.3 -0.035 73.8 128.0-121.9 29.9 42.6 -28.1 -4.0 89 92 A S T < S+ 0 0 36 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.630 75.8 47.5 -67.2 -12.3 45.0 -25.2 -4.5 90 93 A T T 3 S+ 0 0 110 -3,-0.1 -1,-0.3 -4,-0.1 -2,-0.1 0.402 83.8 111.3-104.9 4.5 45.5 -26.2 -8.1 91 94 A E S <> S- 0 0 45 -3,-2.0 4,-2.9 1,-0.1 3,-0.3 -0.484 77.4-116.3 -84.1 146.3 41.9 -26.6 -9.1 92 95 A P H > S+ 0 0 94 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.885 111.1 48.7 -53.0 -47.4 40.5 -24.0 -11.5 93 96 A L H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.914 114.6 46.2 -60.1 -41.3 37.9 -22.5 -9.3 94 97 A V H > S+ 0 0 0 -3,-0.3 4,-2.9 -6,-0.3 -1,-0.2 0.925 113.4 49.7 -66.8 -41.5 40.4 -22.1 -6.4 95 98 A K H X S+ 0 0 124 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.873 110.2 51.5 -59.7 -40.3 43.0 -20.7 -8.9 96 99 A N H X S+ 0 0 85 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.875 110.9 46.1 -66.1 -39.6 40.5 -18.3 -10.2 97 100 A I H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 3,-0.4 0.957 111.8 53.1 -68.3 -44.0 39.6 -17.1 -6.6 98 101 A I H X S+ 0 0 14 -4,-2.9 4,-3.0 1,-0.3 -2,-0.2 0.890 106.0 54.2 -54.5 -40.1 43.3 -16.8 -5.8 99 102 A H H X S+ 0 0 68 -4,-2.2 4,-2.5 2,-0.2 -1,-0.3 0.883 106.0 50.1 -66.3 -41.9 43.8 -14.7 -8.9 100 103 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.4 -1,-0.2 0.930 111.4 50.8 -57.7 -43.9 41.1 -12.2 -7.9 101 104 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.950 111.2 46.9 -60.5 -48.7 42.8 -11.9 -4.5 102 105 A E H X S+ 0 0 80 -4,-3.0 4,-3.2 1,-0.2 -1,-0.2 0.912 112.2 50.4 -58.3 -42.5 46.2 -11.3 -6.1 103 106 A Y H X S+ 0 0 32 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.879 110.0 49.8 -64.1 -40.6 44.8 -8.7 -8.4 104 107 A A H X>S+ 0 0 1 -4,-2.2 5,-2.2 2,-0.2 4,-0.6 0.872 112.1 48.5 -69.3 -38.4 43.1 -6.9 -5.6 105 108 A I H ><5S+ 0 0 42 -4,-2.4 3,-1.0 3,-0.2 -2,-0.2 0.967 115.3 44.7 -60.7 -52.3 46.3 -6.9 -3.6 106 109 A K H 3<5S+ 0 0 156 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.816 123.0 35.1 -63.3 -32.8 48.3 -5.7 -6.5 107 110 A N H 3<5S- 0 0 36 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.237 107.2-117.4-112.3 13.7 45.8 -3.0 -7.5 108 111 A E T <<5 + 0 0 93 -3,-1.0 81,-0.5 -4,-0.6 82,-0.4 0.921 60.9 149.4 55.4 57.6 44.6 -2.0 -4.0 109 112 A K < - 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