==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 15-AUG-01 1JRR . COMPND 2 MOLECULE: PLASMINOGEN ACTIVATOR INHIBITOR-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.JANKOVA,S.J.HARROP,D.N.SAUNDERS,J.L.ANDREWS,K.C.BERTRAM, . 371 6 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 27.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 27 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 1 1 1 0 0 2 0 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 2 0 1 2 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 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 2 A E 0 0 226 0, 0.0 2,-0.9 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 132.9 14.4 18.3 -5.5 2 3 A D > - 0 0 38 1,-0.1 3,-1.2 2,-0.0 348,-0.1 -0.734 360.0-164.3 -77.3 109.2 17.4 17.0 -3.6 3 4 A L T 3 S+ 0 0 116 -2,-0.9 3,-0.1 1,-0.2 -1,-0.1 0.565 83.3 52.5 -77.9 -3.4 18.6 20.2 -1.8 4 5 A a T 3> S+ 0 0 2 345,-0.4 4,-1.8 1,-0.1 -1,-0.2 0.181 71.9 117.9-112.7 17.7 22.0 18.7 -0.9 5 6 A V H <> S+ 0 0 42 -3,-1.2 4,-2.8 1,-0.2 5,-0.2 0.848 71.7 51.2 -56.2 -45.0 23.0 17.6 -4.4 6 7 A A H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.932 112.0 48.3 -58.8 -45.6 26.1 19.7 -4.8 7 8 A N H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.845 112.2 49.2 -65.0 -34.3 27.5 18.6 -1.5 8 9 A T H X S+ 0 0 6 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.909 109.8 50.1 -72.3 -42.8 26.8 15.0 -2.4 9 10 A L H X S+ 0 0 57 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.920 114.2 46.3 -58.3 -43.8 28.5 15.2 -5.8 10 11 A F H X S+ 0 0 0 -4,-2.4 4,-3.1 47,-0.3 5,-0.2 0.931 109.1 55.2 -62.5 -46.7 31.5 16.8 -4.0 11 12 A A H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.920 111.2 44.2 -54.6 -47.7 31.5 14.1 -1.3 12 13 A L H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.905 114.9 46.7 -68.3 -41.1 31.7 11.4 -3.9 13 14 A N H X S+ 0 0 44 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.895 112.7 51.7 -67.5 -39.1 34.4 13.0 -6.0 14 15 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 -5,-0.2 5,-0.2 0.938 108.7 50.2 -60.8 -47.5 36.4 13.8 -2.9 15 16 A F H X S+ 0 0 3 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.940 108.7 53.1 -57.7 -43.9 36.2 10.2 -1.8 16 17 A K H X S+ 0 0 99 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.887 113.1 43.4 -59.0 -37.6 37.4 9.0 -5.2 17 18 A H H >X S+ 0 0 40 -4,-1.9 4,-1.0 2,-0.2 3,-0.7 0.887 111.1 52.4 -77.8 -39.1 40.4 11.3 -5.1 18 19 A L H >X S+ 0 0 8 -4,-2.7 4,-1.8 1,-0.2 3,-0.5 0.870 103.5 60.0 -62.5 -34.9 41.3 10.5 -1.5 19 20 A A H 3< S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.765 95.6 62.5 -67.5 -20.8 41.2 6.8 -2.4 20 21 A K H << S+ 0 0 150 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.888 110.6 39.0 -68.5 -35.9 44.0 7.5 -5.0 21 22 A A H << S+ 0 0 72 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.791 134.1 24.8 -78.1 -30.1 46.1 8.5 -2.0 22 23 A S S < S+ 0 0 28 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 -0.668 70.3 167.1-139.3 77.9 44.8 5.8 0.2 23 24 A P S S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.639 74.5 11.5 -73.4 -18.7 43.4 2.9 -1.9 24 25 A T S S+ 0 0 60 2,-0.1 3,-0.1 207,-0.1 -2,-0.0 0.637 97.4 90.1-134.3 -31.1 43.0 0.1 0.6 25 26 A Q S S- 0 0 99 1,-0.2 332,-0.1 334,-0.1 -3,-0.0 -0.151 90.2 -69.3 -70.0 164.5 43.3 1.2 4.3 26 27 A N - 0 0 13 334,-0.1 2,-0.4 332,-0.1 332,-0.2 -0.274 54.4-167.1 -53.1 141.2 40.4 2.4 6.5 27 28 A L E +A 357 0A 1 330,-2.2 330,-2.5 -3,-0.1 2,-0.3 -0.992 12.6 168.0-133.5 140.1 39.0 5.8 5.5 28 29 A F E +A 356 0A 0 -2,-0.4 2,-0.3 328,-0.2 328,-0.2 -0.933 8.5 144.1-156.6 131.9 36.6 8.1 7.3 29 30 A L E -A 355 0A 3 326,-2.0 326,-2.3 -2,-0.3 3,-0.1 -0.969 44.0-119.0-154.9 167.7 35.6 11.7 6.8 30 31 A S > - 0 0 0 -2,-0.3 4,-1.8 324,-0.2 324,-0.2 -0.914 19.8-174.9-113.4 100.9 32.7 14.2 7.1 31 32 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.884 85.5 59.6 -60.8 -34.7 32.1 15.6 3.7 32 33 A W H > S+ 0 0 3 320,-0.6 4,-2.6 321,-0.4 5,-0.2 0.931 104.9 48.4 -55.6 -47.6 29.5 18.0 5.3 33 34 A S H > S+ 0 0 0 320,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.916 113.6 47.2 -61.5 -43.4 32.2 19.5 7.5 34 35 A I H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.927 110.7 50.5 -66.7 -44.9 34.5 19.9 4.6 35 36 A S H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.907 110.9 50.6 -58.7 -43.5 31.9 21.5 2.3 36 37 A S H X S+ 0 0 2 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.932 112.0 45.3 -60.9 -48.7 31.0 23.9 5.0 37 38 A T H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.938 114.6 48.3 -59.5 -46.8 34.5 25.1 5.6 38 39 A M H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.799 104.8 59.5 -68.3 -26.8 35.2 25.4 2.0 39 40 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.883 105.4 49.7 -65.0 -40.1 32.0 27.3 1.4 40 41 A M H X S+ 0 0 0 -4,-1.6 4,-0.6 -3,-0.3 -2,-0.2 0.869 112.1 47.8 -67.7 -37.1 33.4 29.9 3.9 41 42 A V H >X S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.2 4,-0.5 0.940 108.6 54.6 -65.5 -46.4 36.7 30.0 2.0 42 43 A Y H >< S+ 0 0 35 -4,-3.0 3,-1.5 1,-0.3 -2,-0.2 0.861 97.1 65.1 -51.9 -41.5 34.8 30.3 -1.3 43 44 A M H 3< S+ 0 0 12 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.783 106.3 43.8 -54.2 -29.0 32.9 33.4 0.0 44 45 A G H << S+ 0 0 0 -3,-1.6 253,-2.0 -4,-0.6 254,-1.1 0.497 96.2 100.3 -93.2 -8.0 36.3 35.2 0.1 45 46 A S << + 0 0 0 -3,-1.5 2,-0.3 -4,-0.5 250,-0.2 -0.517 45.4 177.0 -84.1 152.2 37.6 34.0 -3.3 46 47 A R >> + 0 0 85 248,-2.4 4,-1.5 -2,-0.2 3,-1.1 -0.854 44.4 7.8-142.2 173.3 37.5 36.0 -6.5 47 48 A G H 3> S- 0 0 37 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 -0.122 125.7 -14.5 53.7-144.0 38.6 35.7 -10.1 48 49 A S H 3> S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.776 135.8 61.5 -62.7 -26.1 39.9 32.3 -11.2 49 50 A T H <> S+ 0 0 0 -3,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.959 108.6 42.9 -65.3 -48.9 40.3 31.1 -7.7 50 51 A E H X S+ 0 0 60 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.906 112.1 53.2 -58.1 -48.2 36.5 31.6 -7.2 51 52 A D H X S+ 0 0 96 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.912 111.8 45.3 -61.4 -41.4 35.7 30.0 -10.6 52 53 A Q H X S+ 0 0 38 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.909 110.8 52.4 -68.9 -43.9 37.7 26.9 -9.8 53 54 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 6,-0.3 0.913 107.8 52.4 -59.3 -40.7 36.3 26.5 -6.3 54 55 A A H X>S+ 0 0 5 -4,-2.4 5,-1.8 1,-0.2 6,-0.8 0.908 111.5 47.2 -62.8 -38.8 32.7 26.7 -7.6 55 56 A K H ><5S+ 0 0 137 -4,-1.6 3,-1.0 -5,-0.2 -2,-0.2 0.955 114.9 44.8 -63.7 -50.1 33.5 23.9 -10.1 56 57 A V H 3<5S+ 0 0 6 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.903 112.6 49.6 -65.2 -42.1 35.2 21.7 -7.5 57 58 A L H 3<5S- 0 0 1 -4,-2.7 -47,-0.3 -5,-0.2 -1,-0.3 0.532 112.7-120.5 -78.6 -3.1 32.6 22.2 -4.9 58 59 A Q T <<5 + 0 0 64 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.647 69.5 137.3 75.4 24.6 29.9 21.4 -7.5 59 60 A F < 0 0 31 -5,-1.8 -4,-0.2 -6,-0.3 -5,-0.1 0.707 360.0 360.0 -72.7 -15.4 28.0 24.6 -7.2 60 61 A N 0 0 145 -6,-0.8 -1,-0.3 -5,-0.2 -5,-0.1 0.172 360.0 360.0 -91.4 360.0 27.8 24.7 -11.0 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 102 A K > 0 0 226 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 19.5 22.2 31.2 -3.8 63 103 A I H > + 0 0 40 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.902 360.0 48.4 -59.3 -47.1 24.9 28.9 -2.4 64 104 A H H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 110.8 49.0 -67.7 -39.9 25.4 30.7 0.9 65 105 A S H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.853 109.4 56.3 -66.7 -32.9 21.7 30.9 1.7 66 106 A S H X S+ 0 0 40 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.930 106.1 48.3 -61.2 -48.2 21.6 27.1 0.9 67 107 A F H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.913 110.9 51.4 -59.3 -41.0 24.3 26.3 3.5 68 108 A R H X S+ 0 0 101 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.940 113.0 45.1 -62.2 -44.9 22.5 28.4 6.1 69 109 A S H X S+ 0 0 69 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.912 115.0 46.2 -64.4 -45.6 19.2 26.5 5.4 70 110 A L H X S+ 0 0 5 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.912 112.3 52.2 -61.5 -43.2 20.8 23.0 5.3 71 111 A S H X S+ 0 0 19 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.907 106.4 53.7 -60.5 -45.1 22.7 23.9 8.5 72 112 A S H X S+ 0 0 79 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.923 110.7 46.5 -56.8 -43.7 19.5 24.9 10.2 73 113 A A H >< S+ 0 0 34 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.915 111.8 49.8 -67.9 -41.4 17.9 21.6 9.4 74 114 A I H 3< S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.912 114.4 46.0 -63.3 -36.7 20.9 19.5 10.5 75 115 A N H 3< S+ 0 0 59 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.524 82.0 131.7 -84.5 -5.3 21.0 21.5 13.8 76 116 A A << - 0 0 59 -3,-0.8 2,-0.1 -4,-0.7 7,-0.1 -0.164 65.9-109.3 -52.7 135.4 17.3 21.2 14.5 77 117 A S + 0 0 133 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.444 49.8 158.7 -63.7 136.7 16.4 20.0 18.1 78 118 A T - 0 0 56 3,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.731 42.5-135.5-129.8 -40.6 15.0 16.5 18.0 79 119 A G S S+ 0 0 81 2,-0.5 3,-0.1 138,-0.0 -2,-0.1 0.168 89.8 84.4 94.2 -13.4 15.1 14.4 21.2 80 120 A N S S- 0 0 78 1,-0.2 87,-0.5 135,-0.0 2,-0.3 0.727 101.2 -15.3 -97.1 -26.3 16.3 11.4 19.2 81 121 A Y - 0 0 36 85,-0.1 2,-0.5 134,-0.1 -2,-0.5 -0.954 68.9 -96.0-164.3 171.1 20.1 12.0 18.9 82 122 A L E +I 165 0B 89 83,-2.5 83,-2.5 -2,-0.3 2,-0.3 -0.909 46.9 163.0 -99.0 128.1 22.7 14.6 19.4 83 123 A L E +I 164 0B 13 -2,-0.5 2,-0.4 81,-0.2 81,-0.2 -0.896 3.2 163.5-151.3 117.2 23.7 16.4 16.2 84 124 A E E -I 163 0B 64 79,-2.4 79,-2.6 -2,-0.3 2,-0.4 -1.000 16.0-174.9-139.8 137.2 25.5 19.7 16.0 85 125 A S E +I 162 0B 6 -2,-0.4 2,-0.4 77,-0.2 77,-0.2 -0.996 15.9 175.9-131.0 124.2 27.4 21.5 13.2 86 126 A V E -I 161 0B 43 75,-2.7 75,-2.7 -2,-0.4 2,-0.3 -0.998 14.8-156.2-136.9 132.2 29.2 24.7 14.1 87 127 A N E -I 160 0B 5 22,-0.5 2,-0.3 -2,-0.4 73,-0.2 -0.740 12.5-175.5-102.6 156.0 31.4 27.0 12.1 88 128 A K E -I 159 0B 18 71,-2.5 71,-3.1 -2,-0.3 2,-0.5 -0.992 15.1-153.8-155.0 139.9 34.0 29.4 13.5 89 129 A L E -I 158 0B 4 22,-1.9 25,-2.7 -2,-0.3 2,-0.5 -0.982 8.6-170.1-118.1 124.5 36.4 32.0 12.1 90 130 A F E -Ij 157 114B 1 67,-2.5 67,-2.7 -2,-0.5 2,-0.3 -0.983 14.8-173.8-114.1 122.3 39.7 32.8 13.9 91 131 A G E -Ij 156 115B 5 23,-2.9 25,-2.9 -2,-0.5 65,-0.2 -0.902 32.8 -98.8-123.8 145.8 41.4 35.9 12.6 92 132 A E E > - j 0 116B 6 63,-2.7 3,-1.6 -2,-0.3 25,-0.2 -0.404 33.0-135.3 -58.9 130.0 44.8 37.6 13.2 93 133 A K T 3 S+ 0 0 139 23,-2.4 -1,-0.1 1,-0.3 24,-0.1 0.790 101.4 48.1 -62.5 -31.4 44.1 40.5 15.6 94 134 A S T 3 S+ 0 0 82 22,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.358 92.7 101.8 -90.7 3.5 46.2 43.0 13.6 95 135 A A < - 0 0 32 -3,-1.6 2,-0.6 60,-0.1 -4,-0.0 -0.565 64.3-142.2 -90.6 154.1 44.7 42.2 10.3 96 136 A S - 0 0 69 -2,-0.2 204,-0.3 0, 0.0 2,-0.1 -0.859 23.8-174.9-116.8 94.5 42.1 44.2 8.5 97 137 A F - 0 0 42 -2,-0.6 202,-0.2 1,-0.1 2,-0.2 -0.457 39.0 -83.8 -87.7 161.7 39.5 42.0 6.8 98 138 A R > - 0 0 73 200,-2.5 4,-2.2 1,-0.1 5,-0.2 -0.428 31.9-139.0 -63.8 131.7 36.7 43.2 4.6 99 139 A E H > S+ 0 0 165 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.877 103.1 52.2 -63.1 -35.8 33.7 44.3 6.7 100 140 A E H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.841 107.3 52.9 -67.5 -37.3 31.3 42.7 4.2 101 141 A Y H > S+ 0 0 5 196,-0.3 4,-2.6 -3,-0.2 5,-0.3 0.965 112.4 43.9 -60.9 -51.5 33.2 39.4 4.3 102 142 A I H X S+ 0 0 48 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.912 116.9 47.4 -60.5 -41.7 33.0 39.2 8.1 103 143 A R H X S+ 0 0 119 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.927 115.1 43.4 -64.1 -46.9 29.4 40.3 8.1 104 144 A L H X S+ 0 0 45 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.830 111.1 54.4 -72.1 -32.3 28.3 37.8 5.4 105 145 A C H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 6,-0.6 0.920 111.9 45.0 -69.1 -40.5 30.2 35.0 6.9 106 146 A Q H X S+ 0 0 60 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.931 113.2 52.2 -64.6 -44.0 28.5 35.5 10.2 107 147 A K H < S+ 0 0 89 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.956 123.2 25.8 -55.7 -50.2 25.1 35.9 8.4 108 148 A Y H < S+ 0 0 45 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.687 136.7 26.4 -94.9 -18.4 25.3 32.7 6.5 109 149 A Y H < S- 0 0 7 -4,-2.2 -22,-0.5 -5,-0.3 -3,-0.2 0.425 85.4-135.6-122.5 -6.3 27.6 30.5 8.6 110 150 A S < + 0 0 71 -4,-1.8 -23,-0.3 -5,-0.4 -4,-0.2 0.915 45.1 159.8 47.9 47.8 27.2 31.9 12.1 111 151 A S - 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