==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-OCT-01 1K7K . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YGGV; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.SANISHVILI,A.JOACHIMIAK,A.EDWARDS,A.SAVCHENKO,T.SKARINA, . 207 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 9 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 0 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 0 0 0 0 0 0 2 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 1 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 -11 A S 0 0 101 0, 0.0 207,-0.2 0, 0.0 204,-0.1 0.000 360.0 360.0 360.0 -34.6 26.9 17.8 47.7 2 -10 A S - 0 0 45 205,-0.2 3,-0.1 202,-0.2 2,-0.0 0.024 360.0-118.3 -29.7 148.4 26.0 14.1 47.0 3 -9 A G > - 0 0 45 1,-0.2 3,-0.6 205,-0.0 -1,-0.1 -0.123 39.8 -61.2 -90.2-176.4 26.8 11.7 49.8 4 -8 A R T 3 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 -0.176 101.2 62.2 -65.5 159.1 29.1 8.7 50.0 5 -7 A E T 3 S+ 0 0 44 2,-0.5 -1,-0.2 -3,-0.1 3,-0.1 0.212 77.9 86.4 111.2 -14.7 28.6 5.6 47.8 6 -6 A N S < S+ 0 0 5 -3,-0.6 2,-0.3 1,-0.1 -2,-0.1 0.650 92.2 36.0 -91.8 -19.5 29.0 7.0 44.3 7 -5 A L S S- 0 0 51 198,-0.0 -2,-0.5 5,-0.0 2,-0.2 -0.981 87.3-108.5-130.6 144.3 32.8 6.7 44.0 8 -4 A Y 0 0 37 27,-0.9 29,-0.1 -2,-0.3 4,-0.0 -0.489 360.0 360.0 -65.0 139.0 35.2 4.0 45.4 9 -3 A F 0 0 125 -2,-0.2 -1,-0.0 27,-0.1 27,-0.0 -0.952 360.0 360.0-108.3 360.0 37.3 5.3 48.3 10 ! 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 11 0 A H 0 0 106 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 173.8 39.8 -0.7 44.3 12 1 A X - 0 0 123 -5,-0.0 2,-0.5 -4,-0.0 25,-0.2 -0.811 360.0-138.8-111.0 145.5 36.9 -0.2 41.9 13 2 A Q E -a 37 0A 78 23,-1.9 25,-2.7 -2,-0.3 2,-0.3 -0.877 22.0-134.0 -97.9 126.5 33.1 -0.3 42.4 14 3 A K E -a 38 0A 80 -2,-0.5 2,-0.4 23,-0.2 25,-0.2 -0.622 25.8-173.2 -77.2 135.0 31.1 -2.0 39.7 15 4 A V E -a 39 0A 0 23,-2.5 25,-2.6 -2,-0.3 2,-0.4 -0.998 17.3-134.7-132.6 134.0 28.1 -0.0 38.6 16 5 A V E -ab 40 76A 0 59,-2.5 61,-2.6 -2,-0.4 2,-0.5 -0.703 10.1-148.9 -90.9 134.1 25.4 -1.2 36.2 17 6 A L E -ab 41 77A 7 23,-2.7 2,-2.7 -2,-0.4 25,-2.0 -0.933 22.2-125.2-100.6 127.8 24.2 1.1 33.4 18 7 A A S S+ 0 0 16 59,-2.8 2,-0.3 -2,-0.5 61,-0.3 -0.333 80.0 68.0 -79.7 68.4 20.6 0.5 32.6 19 8 A T - 0 0 30 -2,-2.7 23,-1.3 59,-0.1 24,-0.9 -0.953 68.9-137.3-165.2 167.5 21.0 -0.1 28.9 20 9 A G + 0 0 40 -2,-0.3 2,-0.4 21,-0.2 21,-0.1 0.304 62.1 127.7-114.2 2.7 22.4 -2.6 26.5 21 10 A N > - 0 0 74 1,-0.2 4,-2.0 2,-0.1 5,-0.2 -0.427 46.9-159.0 -66.2 115.9 23.9 0.1 24.3 22 11 A V H > S+ 0 0 106 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 0.923 89.6 51.2 -60.2 -46.0 27.5 -0.8 23.8 23 12 A G H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.908 110.3 47.6 -62.6 -41.5 28.5 2.8 22.8 24 13 A K H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.876 114.0 48.3 -67.7 -36.3 26.8 4.4 25.8 25 14 A V H X S+ 0 0 16 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.953 113.6 45.6 -67.7 -49.2 28.5 1.9 28.1 26 15 A R H X S+ 0 0 185 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.909 113.2 53.9 -57.7 -38.5 31.8 2.5 26.5 27 16 A E H X S+ 0 0 67 -4,-2.9 4,-1.4 -5,-0.2 -2,-0.2 0.924 117.6 32.9 -63.3 -46.4 31.0 6.2 26.7 28 17 A L H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.862 114.7 58.7 -79.3 -34.0 30.3 6.2 30.4 29 18 A A H X S+ 0 0 27 -4,-3.4 4,-1.5 -5,-0.2 -2,-0.2 0.933 109.3 45.4 -62.1 -45.6 32.8 3.5 31.3 30 19 A S H < S+ 0 0 92 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.926 114.6 48.1 -61.9 -42.1 35.6 5.6 29.8 31 20 A L H < S+ 0 0 72 -4,-1.4 -2,-0.2 -5,-0.2 3,-0.2 0.793 119.7 36.0 -70.9 -31.6 34.4 8.7 31.6 32 21 A L H ><>S+ 0 0 1 -4,-2.6 5,-1.9 1,-0.2 3,-0.8 0.510 89.4 89.0-101.4 -5.3 34.0 7.2 35.0 33 22 A S G ><5S+ 0 0 45 -4,-1.5 3,-1.3 1,-0.2 -1,-0.2 0.793 84.2 61.9 -60.9 -27.8 36.9 4.7 35.1 34 23 A D G 3 5S+ 0 0 138 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.860 100.0 52.6 -62.9 -39.6 39.0 7.6 36.5 35 24 A F G < 5S- 0 0 48 -3,-0.8 -27,-0.9 -4,-0.2 -1,-0.3 0.274 126.9-102.9 -80.8 7.8 36.7 7.8 39.6 36 25 A G T < 5S+ 0 0 13 -3,-1.3 -23,-1.9 1,-0.3 2,-0.4 0.655 75.3 144.4 78.7 18.2 37.3 4.0 40.0 37 26 A L E < -a 13 0A 1 -5,-1.9 2,-0.8 -25,-0.2 -1,-0.3 -0.764 39.9-155.4 -96.1 127.9 33.9 3.1 38.6 38 27 A D E -a 14 0A 61 -25,-2.7 -23,-2.5 -2,-0.4 2,-0.4 -0.881 18.2-156.1-105.6 98.4 33.6 -0.1 36.5 39 28 A I E +a 15 0A 10 -2,-0.8 2,-0.4 -25,-0.2 -23,-0.2 -0.645 15.0 179.1 -83.8 124.8 30.6 0.5 34.3 40 29 A V E -a 16 0A 22 -25,-2.6 -23,-2.7 -2,-0.4 2,-0.1 -0.983 30.5-111.8-128.3 140.7 28.8 -2.5 32.9 41 30 A A E >> -a 17 0A 4 -2,-0.4 4,-1.1 -25,-0.2 3,-0.6 -0.388 22.2-130.4 -65.5 141.6 25.7 -2.9 30.7 42 31 A Q T 34>S+ 0 0 12 -25,-2.0 5,-2.5 -23,-1.3 -22,-0.2 0.814 109.2 59.8 -64.4 -30.7 22.7 -4.3 32.4 43 32 A T T >45S+ 0 0 70 -24,-0.9 3,-1.8 1,-0.2 -1,-0.3 0.858 97.1 57.8 -65.2 -39.5 22.4 -6.8 29.4 44 33 A D T <45S+ 0 0 118 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.867 109.5 47.5 -55.2 -37.6 25.9 -8.2 30.2 45 34 A L T 3<5S- 0 0 71 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.213 122.8-106.9 -88.1 8.0 24.4 -9.0 33.6 46 35 A G T < 5 + 0 0 54 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.713 65.2 152.2 76.8 21.2 21.2 -10.6 32.3 47 36 A V < - 0 0 6 -5,-2.5 2,-0.2 -6,-0.1 -1,-0.2 -0.711 35.1-144.1 -85.2 131.4 18.8 -7.8 33.2 48 37 A D - 0 0 129 -2,-0.4 -1,-0.0 1,-0.1 -5,-0.0 -0.663 36.7 -82.8 -88.4 152.7 15.7 -7.4 30.9 49 38 A S - 0 0 103 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.227 44.3-121.7 -58.9 141.4 14.3 -3.9 30.2 50 39 A A - 0 0 20 1,-0.1 2,-0.6 -3,-0.1 -1,-0.1 -0.447 28.9-102.0 -73.7 153.3 12.0 -2.3 32.7 51 40 A E - 0 0 151 -2,-0.1 2,-1.5 12,-0.1 3,-0.1 -0.706 35.2-134.9 -73.7 120.8 8.5 -1.2 31.8 52 41 A E + 0 0 65 -2,-0.6 8,-0.1 1,-0.2 -1,-0.1 -0.565 44.5 153.9 -85.7 88.6 8.8 2.6 31.4 53 42 A T + 0 0 106 -2,-1.5 -1,-0.2 6,-0.1 7,-0.1 0.491 28.1 118.6 -97.0 -9.3 5.8 3.7 33.2 54 43 A G - 0 0 6 1,-0.1 -2,-0.0 -3,-0.1 6,-0.0 -0.226 54.1-151.0 -69.7 157.3 6.9 7.2 34.2 55 44 A L S S+ 0 0 125 38,-0.0 2,-0.3 39,-0.0 39,-0.2 0.363 83.3 44.9-105.2 3.5 5.2 10.5 33.2 56 45 A T S > S- 0 0 53 1,-0.1 4,-2.1 37,-0.1 5,-0.2 -0.955 85.8-116.1-138.8 158.6 8.5 12.4 33.4 57 46 A F H > S+ 0 0 23 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.913 117.5 52.4 -57.4 -43.8 12.0 11.8 32.2 58 47 A I H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.921 108.1 49.5 -60.4 -50.2 13.2 11.8 35.9 59 48 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 112.5 48.2 -57.6 -38.5 10.6 9.2 36.9 60 49 A N H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.916 110.7 50.3 -66.8 -40.6 11.6 6.9 34.0 61 50 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.900 111.5 48.5 -64.7 -44.9 15.3 7.3 34.7 62 51 A I H X S+ 0 0 32 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.929 110.9 50.4 -62.4 -43.0 14.7 6.4 38.4 63 52 A L H X S+ 0 0 52 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.905 111.7 48.1 -61.1 -38.3 12.6 3.3 37.5 64 53 A K H X S+ 0 0 24 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.907 114.0 45.8 -71.0 -42.1 15.2 2.1 35.1 65 54 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.904 111.6 52.6 -64.2 -43.0 18.0 2.5 37.6 66 55 A R H X S+ 0 0 94 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.904 109.1 49.2 -60.3 -44.0 15.9 0.9 40.3 67 56 A H H X S+ 0 0 60 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.942 112.4 46.9 -64.9 -43.5 15.2 -2.2 38.3 68 57 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 6,-0.4 0.919 114.6 48.2 -61.5 -46.3 18.9 -2.7 37.3 69 58 A A H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 5,-0.4 0.905 111.4 50.2 -59.6 -43.2 19.9 -2.2 40.9 70 59 A K H < S+ 0 0 154 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.918 112.9 43.9 -63.8 -46.1 17.4 -4.6 42.2 71 60 A V H < S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.791 126.2 31.5 -73.5 -26.8 18.2 -7.4 39.8 72 61 A T H < S- 0 0 31 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.592 91.7-131.4-106.4 -13.6 22.0 -7.0 40.2 73 62 A A S < S+ 0 0 95 -4,-2.1 -3,-0.1 1,-0.3 -4,-0.1 0.703 71.8 118.7 60.0 23.2 22.5 -5.8 43.8 74 63 A L S S- 0 0 30 -6,-0.4 -1,-0.3 -5,-0.4 -2,-0.2 -0.780 76.8 -96.3-112.8 156.0 24.8 -3.1 42.3 75 64 A P - 0 0 13 0, 0.0 -59,-2.5 0, 0.0 2,-0.4 -0.413 51.1-149.3 -62.0 150.9 24.6 0.6 42.3 76 65 A A E -bC 16 136A 0 60,-2.4 60,-2.8 -61,-0.2 2,-0.4 -0.975 21.8-162.0-136.2 146.6 23.0 1.8 39.0 77 66 A I E +bC 17 135A 0 -61,-2.6 -59,-2.8 -2,-0.4 2,-0.3 -0.945 23.1 162.1-119.4 142.1 23.0 4.6 36.6 78 67 A A E - C 0 134A 2 56,-1.9 56,-3.0 -2,-0.4 2,-0.3 -0.982 15.9-159.7-150.7 163.3 20.2 5.2 34.1 79 68 A D E - C 0 133A 25 -2,-0.3 2,-0.3 -61,-0.3 54,-0.2 -0.925 7.2-161.5-139.3 166.8 18.8 7.9 31.9 80 69 A D E - C 0 132A 13 52,-1.6 52,-2.8 -2,-0.3 2,-0.3 -0.967 19.0-179.1-146.0 142.1 15.7 8.9 30.0 81 70 A S E + C 0 131A 43 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.894 10.0 138.4-141.0 160.5 15.6 11.4 27.2 82 71 A G E - C 0 130A 7 48,-2.0 48,-2.6 -2,-0.3 2,-0.4 -0.988 45.8 -82.5 176.2-179.6 13.2 13.1 24.8 83 72 A L E - C 0 129A 0 10,-0.5 10,-2.7 -2,-0.3 2,-0.5 -0.910 31.8-167.3-109.9 127.3 12.0 16.2 23.0 84 73 A A E -DC 92 128A 14 44,-2.6 44,-2.2 -2,-0.4 2,-0.5 -0.979 4.6-159.8-119.0 121.0 9.7 18.7 24.7 85 74 A V E > > - C 0 127A 0 6,-2.6 5,-2.4 -2,-0.5 3,-1.0 -0.847 12.2-144.7-103.6 125.6 7.9 21.3 22.6 86 75 A D G > 5S+ 0 0 104 40,-1.7 3,-1.9 -2,-0.5 -1,-0.1 0.903 97.0 50.5 -57.7 -49.6 6.7 24.4 24.5 87 76 A V G 3 5S+ 0 0 65 39,-0.5 -1,-0.3 37,-0.4 38,-0.1 0.721 110.0 52.3 -64.4 -17.7 3.5 25.0 22.5 88 77 A L G X 5S- 0 0 47 -3,-1.0 3,-1.3 3,-0.3 -1,-0.3 0.115 120.2-106.6-102.6 17.9 2.5 21.4 22.9 89 78 A G T < 5S- 0 0 75 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.761 81.7 -45.3 66.6 23.7 2.9 21.5 26.7 90 79 A G T 3 S+D 84 0A 2 0, 0.0 3,-2.4 0, 0.0 -1,-0.3 -0.959 90.5 133.8 -63.4 -25.7 6.2 14.5 22.7 93 82 A G G > S+ 0 0 11 -10,-2.7 3,-1.7 -3,-0.5 -10,-0.5 -0.272 81.9 1.2 61.0-131.1 7.9 14.3 26.1 94 83 A I G 3 S+ 0 0 21 1,-0.3 -1,-0.3 -39,-0.2 3,-0.3 0.604 132.6 61.8 -70.5 -7.7 8.0 10.8 27.5 95 84 A Y G < S+ 0 0 111 -3,-2.4 4,-0.4 1,-0.2 3,-0.3 0.233 71.7 112.7 -94.3 12.1 6.2 9.6 24.3 96 85 A S S X S+ 0 0 10 -3,-1.7 3,-0.9 1,-0.2 4,-0.2 0.919 77.1 42.6 -53.0 -49.5 9.2 10.8 22.2 97 86 A A T 3 S+ 0 0 88 -3,-0.3 -1,-0.2 1,-0.2 3,-0.2 0.826 127.5 30.9 -72.0 -26.9 10.3 7.3 21.0 98 87 A R T > S+ 0 0 112 -3,-0.3 3,-2.1 -4,-0.2 -1,-0.2 -0.003 78.0 131.3-120.7 30.9 6.8 6.0 20.4 99 88 A Y T < S+ 0 0 30 -3,-0.9 -1,-0.1 -4,-0.4 -2,-0.1 0.849 71.0 52.5 -53.3 -43.0 5.1 9.2 19.4 100 89 A S T 3 S- 0 0 30 1,-0.3 -1,-0.3 -4,-0.2 2,-0.1 0.136 110.2-123.7 -88.0 24.2 3.5 7.8 16.3 101 90 A G X + 0 0 39 -3,-2.1 3,-1.3 -6,-0.2 -1,-0.3 -0.346 67.4 6.5 78.3-151.8 1.9 4.9 18.2 102 91 A E T 3 S+ 0 0 170 1,-0.3 -4,-0.0 -3,-0.1 0, 0.0 -0.346 132.1 22.9 -68.3 150.0 2.4 1.3 17.4 103 92 A D T 3 S+ 0 0 121 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.774 89.1 174.7 65.6 23.7 4.9 0.6 14.7 104 93 A A < + 0 0 35 -3,-1.3 2,-0.3 -6,-0.1 -1,-0.2 -0.309 9.5 180.0 -59.5 144.3 6.6 4.0 15.4 105 94 A T > - 0 0 66 1,-0.1 4,-2.7 61,-0.0 5,-0.2 -0.904 42.1-104.0-132.6 166.2 9.8 4.8 13.5 106 95 A D H > S+ 0 0 76 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.912 120.7 48.5 -54.8 -45.9 12.0 8.0 13.7 107 96 A Q H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 112.0 46.5 -64.4 -45.3 10.7 9.2 10.4 108 97 A K H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 112.5 52.8 -65.3 -39.4 7.0 8.7 11.2 109 98 A N H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.936 112.4 43.2 -58.6 -47.7 7.6 10.3 14.6 110 99 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.891 113.2 52.1 -70.4 -33.7 9.1 13.4 13.1 111 100 A Q H X S+ 0 0 87 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.906 108.5 51.1 -67.0 -35.8 6.6 13.6 10.4 112 101 A K H X S+ 0 0 88 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.918 109.3 51.2 -67.8 -38.1 3.8 13.4 13.0 113 102 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.916 109.1 50.3 -65.6 -43.1 5.4 16.3 14.9 114 103 A L H < S+ 0 0 17 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.931 112.2 47.6 -59.0 -44.2 5.6 18.4 11.7 115 104 A E H >< S+ 0 0 113 -4,-2.2 3,-1.4 1,-0.2 4,-0.2 0.949 110.8 50.8 -61.6 -44.2 2.0 17.7 11.1 116 105 A T H 3< S+ 0 0 64 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.817 118.1 40.1 -61.9 -32.2 1.0 18.5 14.7 117 106 A X T >< S+ 0 0 0 -4,-1.9 3,-2.1 -5,-0.2 -1,-0.3 0.316 78.1 113.5 -99.8 7.6 3.0 21.8 14.4 118 107 A K T < S+ 0 0 105 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.718 83.8 39.2 -59.9 -27.5 2.0 22.9 10.9 119 108 A D T 3 S+ 0 0 142 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.314 84.7 114.4-104.2 10.4 0.0 25.9 12.0 120 109 A V S < S- 0 0 16 -3,-2.1 5,-0.1 1,-0.1 -3,-0.0 -0.653 74.1-113.1 -78.8 125.3 2.3 27.0 14.9 121 110 A P > - 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