==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-APR-13 4BK3 . COMPND 2 MOLECULE: PROBABLE SALICYLATE MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS JOSTII; . AUTHOR R.ORRU,S.MONTERSINO,A.BARENDREGT,A.H.WESTPHAL,E.VAN DUIJN,A. . 395 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 15.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 3 1 0 2 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 1 0 3 2 1 0 1 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 . 0 2 0 0 1 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 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 N 0 0 86 0, 0.0 26,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 176.5 33.8 12.1 -8.0 2 4 A L > + 0 0 0 24,-2.5 3,-2.1 21,-0.2 27,-0.4 0.042 360.0 137.8-121.0 26.5 30.7 10.0 -8.6 3 5 A Q T 3 S+ 0 0 127 23,-0.3 -1,-0.1 1,-0.3 26,-0.1 0.811 75.9 39.1 -46.8 -46.8 28.5 12.0 -10.9 4 6 A D T 3 S+ 0 0 127 -3,-0.1 -1,-0.3 24,-0.1 2,-0.2 0.547 96.2 108.9 -86.7 1.8 27.3 9.4 -13.4 5 7 A A < - 0 0 0 -3,-2.1 24,-3.0 22,-0.1 2,-0.5 -0.527 51.0-157.9 -84.2 146.3 26.9 6.7 -10.6 6 8 A R E -a 29 0A 87 -2,-0.2 149,-1.9 22,-0.2 150,-1.3 -0.977 12.5-178.9-121.2 124.4 23.6 5.4 -9.3 7 9 A I E -ab 30 156A 1 22,-2.8 24,-2.7 -2,-0.5 2,-0.5 -0.977 12.1-159.6-125.1 131.1 23.4 3.8 -5.9 8 10 A I E -ab 31 157A 7 148,-2.1 150,-2.9 -2,-0.4 2,-0.5 -0.951 9.0-158.0-107.2 134.3 20.4 2.3 -4.2 9 11 A I E -ab 32 158A 0 22,-2.9 24,-3.0 -2,-0.5 2,-0.9 -0.943 5.1-153.9-115.3 119.4 20.5 1.8 -0.4 10 12 A A E +ab 33 159A 7 148,-3.2 150,-2.3 -2,-0.5 24,-0.2 -0.870 69.9 29.1 -92.9 104.2 18.2 -0.7 1.3 11 13 A G - 0 0 12 22,-3.0 23,-0.2 -2,-0.9 150,-0.1 0.055 59.3-144.4 116.4 135.4 17.6 0.6 4.8 12 14 A G + 0 0 3 4,-0.2 28,-0.3 20,-0.1 22,-0.1 -0.140 54.4 120.4-127.7 40.8 17.6 4.0 6.4 13 15 A G S > S- 0 0 30 147,-0.5 4,-2.6 26,-0.1 5,-0.3 -0.013 90.6 -69.6 -81.1-165.4 19.1 3.5 9.9 14 16 A I H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.911 137.7 51.3 -59.4 -40.4 22.2 5.4 10.9 15 17 A G H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.938 111.0 43.7 -63.2 -49.4 24.2 3.3 8.5 16 18 A G H > S+ 0 0 1 144,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.931 115.3 49.9 -60.6 -42.6 22.0 3.9 5.4 17 19 A A H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.896 110.7 49.5 -61.3 -44.8 21.7 7.6 6.2 18 20 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.894 112.2 48.1 -65.0 -43.2 25.5 7.9 6.6 19 21 A N H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 5,-0.3 0.886 109.2 53.3 -61.2 -39.2 26.1 6.2 3.3 20 22 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 112.5 45.0 -60.4 -42.9 23.5 8.3 1.6 21 23 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.927 113.5 48.3 -68.0 -48.6 25.2 11.4 2.8 22 24 A A H X S+ 0 0 2 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.910 116.4 42.4 -59.6 -49.8 28.8 10.3 2.0 23 25 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.9 2,-0.2 3,-0.6 0.921 113.1 51.2 -63.6 -44.9 27.8 9.2 -1.6 24 26 A A H ><5S+ 0 0 7 -4,-2.3 3,-1.4 -5,-0.3 -2,-0.2 0.876 105.3 57.7 -63.9 -32.4 25.7 12.2 -2.4 25 27 A Q H 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.810 102.8 54.9 -65.3 -29.1 28.5 14.5 -1.2 26 28 A K T <<5S- 0 0 73 -4,-0.8 -24,-2.5 -3,-0.6 -23,-0.3 0.478 127.2-103.2 -82.2 -0.9 30.7 12.8 -3.9 27 29 A G T < 5S+ 0 0 30 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.494 71.1 147.9 97.9 -3.5 28.1 13.7 -6.5 28 30 A A < - 0 0 8 -5,-1.9 2,-0.7 -24,-0.1 -1,-0.3 -0.352 55.1-115.5 -60.9 151.2 26.5 10.3 -6.8 29 31 A N E -a 6 0A 92 -24,-3.0 -22,-2.8 -27,-0.4 2,-0.5 -0.812 43.6-171.6 -82.9 111.3 22.8 9.7 -7.6 30 32 A V E -a 7 0A 2 -2,-0.7 95,-2.6 93,-0.3 2,-0.4 -0.953 18.4-177.3-116.3 135.0 21.5 8.1 -4.4 31 33 A T E -ac 8 125A 33 -24,-2.7 -22,-2.9 -2,-0.5 2,-0.4 -0.998 10.2-169.9-125.6 127.7 18.1 6.5 -3.8 32 34 A L E -ac 9 126A 1 93,-2.8 95,-2.6 -2,-0.4 2,-0.5 -0.962 6.8-159.8-122.7 134.0 17.4 5.1 -0.3 33 35 A F E -ac 10 127A 5 -24,-3.0 -22,-3.0 -2,-0.4 2,-0.5 -0.932 7.6-172.7-114.3 123.0 14.4 3.0 0.7 34 36 A E E - c 0 128A 33 93,-3.2 96,-2.4 -2,-0.5 95,-0.6 -0.981 17.8-149.5-116.3 129.6 13.4 2.7 4.3 35 37 A R S S+ 0 0 188 -2,-0.5 96,-0.1 94,-0.3 -1,-0.1 0.840 73.9 84.3 -59.5 -44.4 10.7 0.3 5.5 36 38 A A S S- 0 0 42 1,-0.1 93,-2.6 93,-0.1 94,-0.3 -0.254 84.9-123.4 -65.5 153.6 9.4 2.4 8.4 37 39 A S S S+ 0 0 93 91,-0.2 2,-0.3 92,-0.2 91,-0.1 0.708 94.2 26.5 -74.5 -16.1 6.8 5.1 7.6 38 40 A E S S- 0 0 154 90,-0.0 2,-0.2 2,-0.0 91,-0.1 -0.985 87.4-109.5-133.7 149.2 9.0 7.9 9.2 39 41 A F + 0 0 43 -2,-0.3 2,-0.3 89,-0.0 -26,-0.1 -0.584 60.9 131.7 -67.2 145.8 12.7 8.3 9.7 40 42 A G - 0 0 53 -28,-0.3 2,-0.3 -2,-0.2 -4,-0.1 -0.972 37.3-155.2 178.0 161.7 13.5 8.0 13.3 41 43 A E - 0 0 56 -2,-0.3 68,-0.1 -28,-0.1 2,-0.1 -0.941 45.6 -71.4-147.0 170.1 15.7 6.4 16.0 42 44 A V - 0 0 29 -2,-0.3 2,-1.5 1,-0.1 67,-1.0 -0.353 41.7-125.7 -61.7 136.7 15.3 5.7 19.7 43 45 A G S S+ 0 0 33 65,-0.2 2,-0.3 66,-0.1 -1,-0.1 -0.243 78.3 97.8 -83.4 50.8 15.4 8.8 21.9 44 46 A A S S- 0 0 0 -2,-1.5 64,-3.1 1,-0.1 65,-0.3 -0.822 76.3 -78.9-127.9 172.4 18.2 7.5 24.0 45 47 A G E -F 107 0B 4 -2,-0.3 2,-0.3 62,-0.3 62,-0.2 -0.161 32.3-176.1 -70.3 156.8 22.0 7.9 24.1 46 48 A L E -F 106 0B 14 60,-1.8 60,-2.0 2,-0.0 2,-0.4 -0.965 23.5-126.7-141.1 161.5 24.9 6.6 22.0 47 49 A Q E -F 105 0B 34 -2,-0.3 2,-0.5 58,-0.2 58,-0.2 -0.847 18.7-167.1-105.5 133.0 28.6 7.0 22.4 48 50 A V E -F 104 0B 1 56,-3.4 56,-2.6 -2,-0.4 255,-0.1 -0.938 9.6-155.7-125.5 107.9 30.6 8.2 19.4 49 51 A G >> - 0 0 1 -2,-0.5 4,-2.8 253,-0.4 3,-1.8 -0.127 39.0 -92.7 -77.7 178.4 34.3 7.9 19.7 50 52 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.795 123.0 70.4 -67.3 -20.5 36.8 10.0 17.7 51 53 A H H 34 S+ 0 0 1 1,-0.2 4,-0.3 2,-0.2 52,-0.1 0.805 113.2 30.6 -62.8 -23.5 36.9 7.2 15.0 52 54 A G H <> S+ 0 0 0 -3,-1.8 4,-2.3 2,-0.1 3,-0.5 0.815 115.7 58.5 -98.4 -41.1 33.3 8.4 14.3 53 55 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 49,-0.3 -2,-0.2 0.896 101.3 54.5 -57.0 -43.1 33.7 12.0 15.2 54 56 A R H X S+ 0 0 54 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.848 109.8 49.1 -58.2 -36.7 36.5 12.7 12.7 55 57 A I H > S+ 0 0 6 -3,-0.5 4,-2.0 -5,-0.3 -1,-0.2 0.911 108.8 51.1 -72.5 -44.9 34.3 11.3 9.8 56 58 A L H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 6,-0.9 0.875 109.1 52.9 -59.0 -37.4 31.3 13.4 10.8 57 59 A D H ><5S+ 0 0 84 -4,-2.2 3,-1.5 4,-0.2 -2,-0.2 0.922 104.7 54.1 -65.0 -41.1 33.7 16.4 10.8 58 60 A S H 3<5S+ 0 0 75 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.901 107.9 50.3 -59.5 -36.1 34.8 15.6 7.2 59 61 A W T 3<5S- 0 0 17 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.499 116.6-117.9 -81.7 -5.5 31.1 15.6 6.1 60 62 A G T < 5S+ 0 0 61 -3,-1.5 4,-0.2 -4,-0.3 -3,-0.2 0.630 89.5 102.9 82.2 16.8 30.7 19.0 7.8 61 63 A V >< + 0 0 13 -5,-2.2 4,-2.7 -6,-0.2 -4,-0.2 0.498 50.2 87.0-108.9 -5.3 28.1 17.8 10.3 62 64 A L H > S+ 0 0 10 -6,-0.9 4,-3.3 2,-0.2 5,-0.3 0.938 86.2 52.4 -66.8 -45.6 30.1 17.5 13.5 63 65 A D H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.941 114.0 45.1 -55.3 -45.4 29.7 21.1 14.7 64 66 A D H 4 S+ 0 0 77 -4,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.956 112.5 49.1 -64.6 -46.4 26.1 20.8 14.3 65 67 A V H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.934 110.9 52.7 -55.6 -44.2 25.9 17.4 16.0 66 68 A L H >< S+ 0 0 43 -4,-3.3 3,-1.8 1,-0.3 -1,-0.2 0.840 93.7 69.7 -66.9 -31.7 28.0 18.8 18.9 67 69 A S T 3< S+ 0 0 85 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.719 112.9 31.4 -56.7 -21.6 25.7 21.7 19.4 68 70 A R T < S+ 0 0 73 -3,-1.7 150,-0.5 -4,-0.5 39,-0.4 0.166 111.8 81.5-117.5 15.3 23.1 19.1 20.7 69 71 A A S < S- 0 0 8 -3,-1.8 150,-1.6 149,-0.2 2,-0.4 -0.359 73.4-115.7-108.6-173.8 25.6 16.6 22.2 70 72 A F B -G 105 0B 36 35,-2.7 35,-2.3 148,-0.2 148,-0.1 -0.993 13.4-148.0-128.6 140.2 27.5 16.2 25.5 71 73 A L - 0 0 67 -2,-0.4 33,-0.2 33,-0.2 2,-0.1 -0.843 18.6-156.7-106.0 93.8 31.4 16.2 25.8 72 74 A P - 0 0 0 0, 0.0 129,-0.2 0, 0.0 31,-0.2 -0.400 12.1-144.1 -72.1 151.2 32.4 13.9 28.7 73 75 A K S S- 0 0 123 127,-1.8 18,-2.4 1,-0.2 2,-0.3 0.741 75.4 -1.8 -84.8 -27.7 35.8 14.5 30.3 74 76 A N E -H 90 0C 23 126,-0.3 128,-2.3 16,-0.2 2,-0.5 -0.974 59.6-120.2-150.0 165.5 36.5 10.8 30.9 75 77 A I E -Hi 89 202C 15 14,-2.1 14,-3.0 -2,-0.3 2,-0.5 -0.984 39.6-162.8-105.5 123.1 35.3 7.2 30.6 76 78 A V E -Hi 88 203C 2 126,-3.6 128,-3.1 -2,-0.5 2,-0.4 -0.955 8.9-157.9-115.8 122.9 35.3 6.0 34.3 77 79 A F E +Hi 87 204C 13 10,-2.9 9,-2.8 -2,-0.5 10,-1.0 -0.850 16.4 180.0 -98.4 132.5 35.1 2.3 35.2 78 80 A R E -Hi 85 205C 43 126,-2.7 128,-2.8 -2,-0.4 2,-0.3 -0.956 36.2-104.6-127.8 148.5 33.8 1.4 38.6 79 81 A D E > - i 0 206C 0 5,-2.6 4,-2.1 -2,-0.3 128,-0.2 -0.582 27.2-143.7 -68.9 125.5 33.3 -1.8 40.5 80 82 A A T 4 S+ 0 0 1 126,-2.6 175,-3.3 -2,-0.3 178,-0.3 0.731 97.0 45.5 -68.2 -24.5 29.5 -2.5 40.4 81 83 A I T 4 S+ 0 0 56 125,-0.4 -1,-0.2 173,-0.3 175,-0.1 0.889 129.3 20.2 -84.4 -43.3 29.6 -4.0 44.0 82 84 A T T 4 S- 0 0 68 2,-0.1 -2,-0.2 173,-0.1 3,-0.1 0.583 89.8-132.9 -99.1 -16.4 31.9 -1.5 45.8 83 85 A A < + 0 0 11 -4,-2.1 -3,-0.1 1,-0.3 2,-0.1 0.462 52.6 155.4 66.2 9.5 31.5 1.5 43.5 84 86 A E - 0 0 81 1,-0.1 -5,-2.6 -6,-0.1 2,-0.4 -0.356 50.6-113.7 -60.3 133.8 35.3 1.9 43.7 85 87 A V E -H 78 0C 53 -7,-0.2 -7,-0.3 1,-0.2 3,-0.1 -0.630 34.3-179.4 -67.7 128.1 36.9 3.6 40.7 86 88 A L E - 0 0 7 -9,-2.8 2,-0.3 -2,-0.4 -8,-0.2 0.869 59.0 -29.5 -93.9 -56.5 39.0 1.1 38.8 87 89 A T E -H 77 0C 14 -10,-1.0 -10,-2.9 289,-0.1 -1,-0.4 -0.976 51.1-138.3-155.5 165.9 40.4 3.2 36.0 88 90 A K E -H 76 0C 94 -2,-0.3 2,-0.6 -12,-0.2 -12,-0.2 -0.983 7.4-146.7-125.7 141.4 39.7 6.2 33.9 89 91 A I E -H 75 0C 30 -14,-3.0 -14,-2.1 -2,-0.4 2,-0.3 -0.953 27.6-136.5 -97.0 114.5 40.2 6.9 30.2 90 92 A D E -H 74 0C 104 -2,-0.6 -16,-0.2 -16,-0.2 -17,-0.1 -0.518 18.6-171.1 -75.9 127.5 41.0 10.6 29.8 91 93 A L + 0 0 3 -18,-2.4 12,-0.3 -2,-0.3 -17,-0.2 0.104 46.7 117.2-106.8 21.8 39.2 12.2 26.9 92 94 A G S > S- 0 0 23 -19,-0.2 4,-2.6 3,-0.1 5,-0.2 0.321 85.2 -59.4 -80.9-156.2 41.0 15.5 27.1 93 95 A S H > S+ 0 0 100 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.845 131.6 52.6 -67.3 -34.4 43.3 17.4 24.7 94 96 A E H > S+ 0 0 146 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.909 113.7 45.9 -59.3 -48.8 46.1 14.6 24.5 95 97 A F H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 115.4 44.9 -58.4 -50.8 43.3 12.1 23.5 96 98 A R H X>S+ 0 0 94 -4,-2.6 4,-1.5 1,-0.2 5,-0.7 0.892 112.9 51.5 -72.9 -33.9 41.7 14.5 21.0 97 99 A G H <5S+ 0 0 64 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.925 113.2 46.1 -63.2 -42.6 45.1 15.4 19.6 98 100 A R H <5S+ 0 0 127 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.932 121.4 33.8 -65.5 -44.8 46.0 11.7 19.2 99 101 A Y H <5S- 0 0 6 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.493 104.1-118.5-101.5 -2.5 42.8 10.6 17.6 100 102 A G T <5S+ 0 0 51 -4,-1.5 -3,-0.2 -5,-0.2 -4,-0.1 0.659 81.0 26.9 84.6 14.9 41.8 13.6 15.6 101 103 A G S -F 45 0B 11 -39,-0.4 4,-2.1 -2,-0.3 3,-0.3 -0.620 34.9-138.6 -74.3 136.2 20.8 11.2 21.3 108 110 A R H > S+ 0 0 48 -64,-3.1 4,-2.6 -2,-0.3 5,-0.2 0.879 105.4 56.6 -54.6 -42.3 20.5 8.5 18.6 109 111 A S H > S+ 0 0 40 -67,-1.0 4,-2.5 -65,-0.3 -1,-0.2 0.877 108.2 46.0 -57.8 -41.4 17.5 10.3 17.3 110 112 A D H > S+ 0 0 28 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.919 112.1 49.1 -71.7 -44.9 19.4 13.6 16.9 111 113 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.937 114.1 47.4 -59.8 -46.2 22.4 12.0 15.2 112 114 A H H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.943 111.6 48.9 -61.8 -48.2 20.1 10.2 12.8 113 115 A A H X S+ 0 0 42 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.855 110.6 52.3 -59.7 -40.0 18.0 13.3 12.0 114 116 A T H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.912 111.2 45.6 -62.8 -44.7 21.2 15.2 11.4 115 117 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.907 114.0 49.3 -64.5 -43.4 22.5 12.6 8.9 116 118 A V H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.939 112.3 47.9 -61.6 -47.6 19.2 12.3 7.2 117 119 A D H X S+ 0 0 104 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.877 114.2 46.6 -60.2 -42.9 18.9 16.1 6.8 118 120 A A H X S+ 0 0 19 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.889 110.8 52.2 -69.6 -38.9 22.5 16.4 5.5 119 121 A A H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-0.4 0.920 111.8 46.5 -63.5 -42.2 21.9 13.5 3.0 120 122 A R H ><5S+ 0 0 127 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.937 111.4 51.5 -65.1 -43.2 18.8 15.2 1.7 121 123 A A H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.824 107.0 54.3 -62.5 -31.0 20.7 18.6 1.4 122 124 A A T 3<5S- 0 0 36 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.505 129.3 -94.7 -84.1 -5.2 23.5 16.8 -0.5 123 125 A G T < 5S+ 0 0 48 -3,-1.5 -93,-0.3 -4,-0.4 -3,-0.2 0.433 71.1 149.3 110.0 2.7 20.9 15.5 -3.0 124 126 A A < - 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