==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-SEP-06 2I9C . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN RPA1889; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR M.T.CYMBOROWSKI,E.EVDOKIMOVA,O.KAGAN,M.CHRUSZCZ,A.SAVCHENKO, . 121 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 78.5 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 . 0 0.0 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 . 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 . 5 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 57.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 0 2 0 0 0 0 0 2 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A K 0 0 139 0, 0.0 2,-0.3 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 81.9 0.5 37.9 -4.6 2 4 A L - 0 0 92 39,-0.1 2,-0.8 2,-0.0 3,-0.1 -0.744 360.0-133.4-112.1 144.7 -2.2 36.6 -7.0 3 5 A D + 0 0 125 -2,-0.3 3,-0.2 1,-0.1 41,-0.0 -0.833 37.6 156.0 -87.7 109.8 -3.3 36.9 -10.7 4 6 A L > + 0 0 15 -2,-0.8 3,-1.9 1,-0.1 -1,-0.1 0.290 40.8 106.8-115.3 4.0 -7.0 37.6 -10.5 5 7 A H T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.681 76.6 53.8 -61.1 -23.1 -7.2 39.2 -13.9 6 8 A Q T 3 S+ 0 0 153 -3,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.476 87.9 100.0 -93.3 -5.7 -9.0 36.2 -15.3 7 9 A X S < S- 0 0 53 -3,-1.9 2,-0.1 1,-0.1 -3,-0.1 -0.589 76.4-114.8 -85.2 143.5 -11.8 36.1 -12.8 8 10 A T > - 0 0 79 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.382 25.9-115.0 -70.4 152.7 -15.2 37.5 -13.5 9 11 A T H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.908 117.3 51.8 -55.4 -41.9 -16.4 40.6 -11.5 10 12 A Q H > S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.876 108.5 50.4 -62.1 -40.6 -19.2 38.5 -9.9 11 13 A D H > S+ 0 0 92 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.864 108.3 53.8 -64.3 -39.6 -16.7 35.8 -8.9 12 14 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.894 108.9 48.5 -58.2 -46.0 -14.5 38.5 -7.3 13 15 A V H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.930 112.9 47.4 -59.7 -45.6 -17.4 39.8 -5.2 14 16 A A H X S+ 0 0 63 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.905 114.7 46.5 -64.5 -42.6 -18.3 36.3 -4.1 15 17 A L H X S+ 0 0 52 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.906 107.7 56.9 -69.7 -38.2 -14.6 35.6 -3.2 16 18 A F H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.934 110.2 45.2 -52.3 -49.3 -14.3 38.9 -1.4 17 19 A A H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.917 112.3 51.1 -64.7 -41.4 -17.2 37.9 0.8 18 20 A K H X S+ 0 0 129 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.926 112.8 44.8 -61.5 -46.2 -15.8 34.4 1.4 19 21 A V H X S+ 0 0 10 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.829 113.5 49.6 -71.2 -30.1 -12.3 35.6 2.4 20 22 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.840 108.1 52.9 -79.0 -32.7 -13.7 38.4 4.7 21 23 A V H X S+ 0 0 31 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.943 110.6 49.3 -57.6 -48.3 -16.0 35.9 6.5 22 24 A E H X S+ 0 0 48 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.852 105.6 57.1 -64.3 -31.9 -12.9 33.8 7.0 23 25 A Q H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.956 108.0 47.4 -54.4 -50.7 -11.1 37.0 8.3 24 26 A D H X S+ 0 0 23 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.941 112.7 48.4 -56.4 -50.4 -13.9 37.3 10.9 25 27 A D H X S+ 0 0 94 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.901 111.4 51.3 -55.0 -46.7 -13.5 33.5 11.8 26 28 A A H <>S+ 0 0 5 -4,-2.7 5,-2.9 1,-0.2 4,-0.4 0.934 108.3 49.7 -59.7 -52.1 -9.7 34.0 12.0 27 29 A L H ><5S+ 0 0 65 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.902 111.5 49.5 -50.3 -48.8 -9.9 36.9 14.4 28 30 A L H 3<5S+ 0 0 141 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.832 114.6 44.8 -62.6 -34.5 -12.3 35.1 16.7 29 31 A G T 3<5S- 0 0 45 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.324 111.1-119.1 -91.6 5.7 -10.1 32.0 16.8 30 32 A N T < 5 + 0 0 125 -3,-1.1 2,-1.4 -4,-0.4 -3,-0.2 0.787 63.9 147.8 56.1 32.4 -6.8 34.0 17.3 31 33 A Q >< + 0 0 119 -5,-2.9 4,-2.2 1,-0.2 -1,-0.2 -0.652 14.0 164.9 -95.2 75.3 -5.5 32.6 14.0 32 34 A I H > + 0 0 73 -2,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.876 67.1 53.9 -69.6 -39.5 -3.6 35.8 13.3 33 35 A S H > S+ 0 0 96 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.925 112.2 47.1 -58.9 -41.9 -1.3 34.5 10.4 34 36 A R H > S+ 0 0 143 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.890 109.8 53.2 -65.0 -43.9 -4.4 33.3 8.6 35 37 A F H X S+ 0 0 36 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 109.0 49.6 -54.1 -48.0 -6.2 36.7 9.2 36 38 A N H X S+ 0 0 95 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.889 112.1 46.7 -62.4 -42.3 -3.2 38.5 7.7 37 39 A R H X S+ 0 0 198 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.928 112.1 50.4 -68.5 -43.6 -3.1 36.3 4.5 38 40 A L H X S+ 0 0 11 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.865 108.5 53.9 -58.1 -37.8 -6.9 36.6 4.1 39 41 A F H X S+ 0 0 85 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.934 107.7 49.5 -61.1 -48.2 -6.5 40.4 4.4 40 42 A G H X S+ 0 0 29 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.899 111.2 49.6 -55.6 -45.6 -3.8 40.4 1.6 41 43 A V H X S+ 0 0 38 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.933 109.9 51.1 -58.3 -47.1 -6.1 38.3 -0.7 42 44 A X H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.899 109.4 50.4 -56.1 -47.3 -9.0 40.7 0.0 43 45 A A H X S+ 0 0 34 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.866 108.1 52.7 -59.9 -42.7 -6.8 43.7 -0.9 44 46 A E H X S+ 0 0 48 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.895 108.6 51.2 -58.9 -40.6 -5.8 42.0 -4.2 45 47 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.936 110.7 47.3 -61.2 -46.8 -9.4 41.5 -5.0 46 48 A A H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.886 111.8 51.0 -64.3 -40.2 -10.3 45.2 -4.4 47 49 A D H X S+ 0 0 97 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.871 110.5 48.9 -63.5 -39.8 -7.3 46.3 -6.5 48 50 A E H X S+ 0 0 29 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.921 112.4 47.2 -64.5 -44.6 -8.3 44.1 -9.3 49 51 A L H >< S+ 0 0 0 -4,-2.3 7,-2.4 1,-0.2 3,-1.3 0.931 111.3 52.0 -64.5 -45.0 -11.9 45.4 -9.2 50 52 A K H 3< S+ 0 0 96 -4,-2.7 5,-0.3 5,-0.3 -1,-0.2 0.919 104.8 57.5 -54.9 -43.0 -10.6 49.0 -9.0 51 53 A A H 3< S+ 0 0 79 -4,-2.2 -1,-0.2 -5,-0.1 2,-0.2 0.575 90.6 93.5 -66.3 -10.7 -8.4 48.3 -12.2 52 54 A R S X< S- 0 0 50 -3,-1.3 3,-2.4 -4,-0.5 4,-0.4 -0.546 95.5 -76.5 -86.9 151.9 -11.5 47.3 -14.2 53 55 A D T 3 S+ 0 0 155 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 -0.144 119.0 14.2 -45.4 128.7 -13.4 49.8 -16.4 54 56 A G T 3 S- 0 0 73 1,-0.1 -1,-0.3 -3,-0.1 4,-0.1 0.232 122.7 -82.3 91.9 -7.7 -15.7 52.0 -14.4 55 57 A D X - 0 0 36 -3,-2.4 3,-1.4 -5,-0.3 -5,-0.3 0.933 45.8-151.3 63.5 91.4 -14.0 51.1 -11.1 56 58 A Q G > S+ 0 0 63 -7,-2.4 3,-2.0 -4,-0.4 4,-0.3 0.418 77.5 97.5 -83.5 7.3 -15.7 47.9 -10.2 57 59 A R G > S+ 0 0 25 1,-0.3 3,-2.0 -8,-0.3 4,-0.3 0.781 71.0 76.9 -55.1 -25.3 -15.3 48.4 -6.5 58 60 A T G X S+ 0 0 64 -3,-1.4 3,-1.5 1,-0.3 -1,-0.3 0.814 79.8 67.3 -51.4 -30.7 -18.8 49.6 -7.0 59 61 A A G X S+ 0 0 19 -3,-2.0 3,-1.1 1,-0.3 -1,-0.3 0.734 86.2 69.0 -68.5 -18.3 -19.9 46.0 -7.2 60 62 A L G X S+ 0 0 0 -3,-2.0 3,-1.9 -4,-0.3 -1,-0.3 0.619 75.1 84.2 -74.0 -14.8 -19.0 45.5 -3.4 61 63 A L G X S+ 0 0 35 -3,-1.5 3,-1.8 -4,-0.3 -1,-0.2 0.824 77.7 68.8 -54.3 -32.3 -21.9 47.7 -2.5 62 64 A S G X S+ 0 0 100 -3,-1.1 3,-0.6 1,-0.3 -1,-0.3 0.683 90.7 64.3 -58.0 -20.9 -24.1 44.5 -2.8 63 65 A L G X S+ 0 0 13 -3,-1.9 3,-1.0 1,-0.2 -1,-0.3 0.445 71.0 91.6 -85.6 -3.1 -22.3 43.2 0.3 64 66 A F G < S+ 0 0 27 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.716 94.0 43.5 -64.1 -24.9 -23.6 46.0 2.7 65 67 A E G < S+ 0 0 170 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.421 84.4 128.0 -95.6 -0.9 -26.5 43.6 3.6 66 68 A Y S < S- 0 0 81 -3,-1.0 2,-2.5 1,-0.2 6,-0.3 -0.300 70.8-118.1 -56.3 131.5 -24.2 40.5 3.8 67 69 A P S S+ 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.311 88.3 81.7 -76.6 63.3 -24.8 38.7 7.2 68 70 A N > - 0 0 24 -2,-2.5 4,-2.1 1,-0.1 5,-0.1 -0.876 67.8-146.9-162.0 129.3 -21.3 39.2 8.6 69 71 A X H > S+ 0 0 24 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.842 100.1 54.3 -75.6 -32.3 -20.0 42.4 10.2 70 72 A Q H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 109.3 49.2 -63.1 -41.2 -16.4 42.0 9.0 71 73 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.950 113.2 46.8 -60.9 -50.2 -17.8 41.7 5.4 72 74 A R H X S+ 0 0 77 -4,-2.1 4,-2.1 -6,-0.3 -2,-0.2 0.891 113.6 48.7 -59.4 -45.6 -19.9 44.8 5.8 73 75 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.933 114.3 43.7 -58.7 -51.9 -17.0 46.8 7.4 74 76 A Q H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.880 112.7 52.4 -66.9 -38.3 -14.5 45.9 4.7 75 77 A A H < S+ 0 0 0 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.905 112.5 45.6 -63.9 -40.5 -17.0 46.5 1.9 76 78 A A H >< S+ 0 0 0 -4,-2.1 3,-0.9 -5,-0.2 4,-0.5 0.922 112.6 50.6 -70.1 -43.1 -17.8 50.0 3.3 77 79 A K H >< S+ 0 0 58 -4,-2.9 3,-0.8 1,-0.2 4,-0.2 0.914 112.7 46.6 -59.0 -39.7 -14.1 50.8 3.8 78 80 A L T 3< S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.462 110.8 52.1 -87.5 -2.0 -13.3 49.8 0.3 79 81 A T T <> S+ 0 0 0 -3,-0.9 4,-2.4 -4,-0.5 8,-0.3 0.340 75.3 100.4-110.1 5.7 -16.1 51.7 -1.3 80 82 A L T <4 S+ 0 0 11 -3,-0.8 -2,-0.1 -4,-0.5 8,-0.1 0.853 85.9 48.6 -57.3 -32.1 -15.5 55.1 0.3 81 83 A A T 4 S+ 0 0 28 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.908 119.1 35.0 -75.6 -40.9 -13.8 56.3 -3.0 82 84 A V T 4 S+ 0 0 38 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.665 137.4 17.0 -88.7 -18.3 -16.5 55.1 -5.4 83 85 A A X + 0 0 12 -4,-2.4 4,-2.9 -7,-0.1 5,-0.3 -0.495 67.4 168.6-152.3 68.5 -19.6 55.8 -3.2 84 86 A P H > S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.874 78.5 47.3 -61.5 -39.6 -18.6 58.1 -0.3 85 87 A V H > S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.957 117.2 41.0 -64.2 -56.3 -22.2 58.9 0.8 86 88 A K H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 117.6 48.7 -56.2 -47.4 -23.4 55.2 0.9 87 89 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 -8,-0.3 -2,-0.2 0.926 111.3 48.9 -61.5 -45.9 -20.1 53.9 2.4 88 90 A R H X S+ 0 0 72 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.914 109.6 53.5 -60.7 -45.0 -20.1 56.6 5.1 89 91 A E H X S+ 0 0 134 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.887 109.8 47.6 -55.9 -44.6 -23.8 55.7 5.9 90 92 A Q H X S+ 0 0 25 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.937 110.5 50.8 -65.8 -42.4 -22.8 52.0 6.3 91 93 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.890 109.2 52.1 -61.3 -38.6 -19.8 52.9 8.5 92 94 A E H X S+ 0 0 85 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.890 108.7 50.2 -63.5 -43.7 -22.2 55.0 10.7 93 95 A A H X S+ 0 0 49 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.854 109.1 52.0 -58.7 -43.5 -24.6 52.0 11.0 94 96 A I H X>S+ 0 0 1 -4,-2.4 5,-0.8 2,-0.2 4,-0.7 0.957 111.0 47.0 -59.0 -52.5 -21.7 49.8 12.1 95 97 A V H ><5S+ 0 0 55 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.941 111.7 51.9 -48.7 -52.1 -20.7 52.4 14.8 96 98 A S H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.797 101.1 62.2 -58.0 -28.5 -24.4 52.6 15.9 97 99 A S H 3<5S- 0 0 50 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.694 93.2-145.3 -73.0 -20.6 -24.6 48.8 16.2 98 100 A K T <<5 + 0 0 160 -3,-1.5 2,-0.9 -4,-0.7 -3,-0.1 0.772 42.1 156.3 60.0 28.2 -21.8 48.8 19.0 99 101 A W >< - 0 0 136 -5,-0.8 4,-2.7 2,-0.1 -1,-0.2 -0.774 40.7-111.0 -89.2 107.3 -20.6 45.5 17.5 100 102 A F T 4 S+ 0 0 144 -2,-0.9 -5,-0.0 1,-0.3 0, 0.0 -0.624 81.6 6.6 -99.7 147.8 -17.0 45.2 18.5 101 103 A P T >> S+ 0 0 84 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.997 127.4 54.3 -90.4 -5.3 -14.3 45.3 17.3 102 104 A Q H 3> S+ 0 0 3 1,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.864 105.1 57.2 -53.9 -40.9 -15.7 46.2 13.9 103 105 A A H 3X S+ 0 0 4 -4,-2.7 4,-1.9 2,-0.2 -1,-0.3 0.798 107.0 48.1 -61.6 -28.3 -17.6 49.3 15.4 104 106 A G H <> S+ 0 0 35 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.885 111.0 50.1 -80.8 -37.2 -14.2 50.7 16.7 105 107 A D H X S+ 0 0 60 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.933 113.5 46.3 -62.9 -46.0 -12.5 50.2 13.4 106 108 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.889 110.8 53.0 -65.9 -38.1 -15.5 52.0 11.7 107 109 A G H X S+ 0 0 17 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.918 110.2 47.0 -60.1 -48.6 -15.4 54.8 14.3 108 110 A X H X S+ 0 0 107 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.891 110.3 53.7 -61.5 -41.9 -11.6 55.3 13.7 109 111 A C H X S+ 0 0 10 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.921 110.4 46.4 -55.7 -48.1 -12.3 55.3 9.9 110 112 A L H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.880 110.1 53.5 -66.4 -38.2 -14.9 58.0 10.3 111 113 A D H X S+ 0 0 96 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.950 111.1 46.6 -58.2 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