==== 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 4BJZ . 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) . 16897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 72.9 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 . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 28.1 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 0 1 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 79 0, 0.0 26,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 176.7 33.8 12.0 -7.9 2 4 A L > + 0 0 0 24,-2.9 3,-2.0 21,-0.2 27,-0.4 -0.053 360.0 138.5-118.1 30.6 30.7 9.9 -8.5 3 5 A Q T 3 S+ 0 0 123 1,-0.3 -1,-0.1 23,-0.3 26,-0.1 0.871 76.6 37.4 -52.0 -47.9 28.7 12.0 -10.9 4 6 A D T 3 S+ 0 0 136 -3,-0.2 -1,-0.3 24,-0.1 2,-0.2 0.565 96.9 109.8 -85.0 1.8 27.5 9.4 -13.3 5 7 A A < - 0 0 0 -3,-2.0 24,-3.2 22,-0.1 2,-0.4 -0.487 50.7-157.9 -83.8 146.1 27.0 6.8 -10.6 6 8 A R E +a 29 0A 77 22,-0.2 149,-1.8 -2,-0.2 150,-1.1 -0.983 13.2 178.9-121.5 126.0 23.7 5.4 -9.3 7 9 A I E -ab 30 156A 2 22,-2.7 24,-2.5 -2,-0.4 2,-0.4 -0.998 13.1-159.8-129.4 129.8 23.5 3.7 -5.8 8 10 A I E -ab 31 157A 7 148,-1.9 150,-2.6 -2,-0.4 2,-0.5 -0.944 9.7-157.1-107.1 133.4 20.4 2.3 -4.1 9 11 A I E -ab 32 158A 0 22,-2.6 24,-2.8 -2,-0.4 2,-0.8 -0.962 5.5-153.1-115.2 122.3 20.6 1.8 -0.4 10 12 A A E S+ab 33 159A 5 148,-3.1 150,-2.7 -2,-0.5 24,-0.2 -0.871 70.7 29.4 -94.2 102.6 18.3 -0.7 1.3 11 13 A G - 0 0 12 22,-3.0 23,-0.2 -2,-0.8 150,-0.1 0.028 59.2-144.9 115.6 132.9 17.8 0.6 4.9 12 14 A G + 0 0 2 4,-0.1 28,-0.3 20,-0.1 22,-0.1 -0.199 53.8 120.4-124.4 39.5 17.7 4.0 6.5 13 15 A G S > S- 0 0 30 147,-0.5 4,-2.7 26,-0.1 5,-0.3 -0.066 90.8 -69.5 -78.2-164.2 19.2 3.6 9.9 14 16 A I H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 137.6 51.1 -56.1 -39.9 22.3 5.5 11.0 15 17 A G H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 111.5 43.0 -63.2 -56.8 24.3 3.3 8.5 16 18 A G H > S+ 0 0 1 144,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.926 115.3 50.8 -60.2 -40.8 22.1 3.8 5.5 17 19 A A H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.906 109.9 49.2 -58.9 -46.1 21.8 7.6 6.2 18 20 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.907 112.0 48.5 -65.4 -41.0 25.5 8.0 6.6 19 21 A N H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.906 109.3 53.3 -63.2 -39.1 26.2 6.1 3.3 20 22 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.922 112.7 45.2 -59.7 -44.1 23.5 8.3 1.6 21 23 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.937 113.4 47.2 -63.5 -52.5 25.3 11.4 2.9 22 24 A A H X S+ 0 0 3 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.904 116.8 43.3 -60.8 -44.1 28.8 10.3 2.0 23 25 A L H ><>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 3,-0.7 0.925 112.4 51.2 -68.2 -45.3 27.9 9.2 -1.5 24 26 A A H ><5S+ 0 0 7 -4,-2.5 3,-1.6 -5,-0.3 -2,-0.2 0.870 104.8 58.6 -63.1 -29.6 25.7 12.2 -2.3 25 27 A Q H 3<5S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.789 103.0 53.6 -71.8 -24.2 28.6 14.5 -1.3 26 28 A K T <<5S- 0 0 72 -4,-0.8 -24,-2.9 -3,-0.7 -1,-0.3 0.408 127.2-103.4 -81.8 -3.6 30.7 12.8 -3.9 27 29 A G T < 5S+ 0 0 30 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.504 70.1 148.4 93.3 1.5 28.0 13.6 -6.5 28 30 A A < - 0 0 9 -5,-1.9 2,-0.7 -24,-0.1 -1,-0.3 -0.323 54.9-114.5 -61.5 154.1 26.4 10.2 -6.8 29 31 A N E -a 6 0A 86 -24,-3.2 -22,-2.7 -27,-0.4 2,-0.4 -0.852 43.5-171.4 -87.4 114.1 22.7 9.7 -7.6 30 32 A V E -a 7 0A 2 -2,-0.7 95,-2.9 93,-0.3 2,-0.4 -0.972 17.8-176.9-118.2 127.7 21.5 8.0 -4.4 31 33 A T E -ac 8 125A 34 -24,-2.5 -22,-2.6 -2,-0.4 2,-0.4 -0.999 10.2-170.0-118.7 126.9 18.1 6.4 -3.8 32 34 A L E -ac 9 126A 1 93,-2.5 95,-2.1 -2,-0.4 2,-0.6 -0.966 6.8-159.5-122.1 129.4 17.5 5.1 -0.3 33 35 A F E -ac 10 127A 4 -24,-2.8 -22,-3.0 -2,-0.4 2,-0.5 -0.944 6.7-170.9-107.6 122.1 14.5 3.0 0.7 34 36 A E E - c 0 128A 29 93,-3.3 96,-2.4 -2,-0.6 95,-0.5 -0.974 17.1-149.7-112.2 130.6 13.5 2.8 4.4 35 37 A R S S+ 0 0 187 -2,-0.5 96,-0.2 94,-0.3 -1,-0.1 0.860 74.7 83.0 -60.5 -44.2 10.8 0.3 5.5 36 38 A A S S- 0 0 41 93,-0.1 93,-2.8 1,-0.1 94,-0.3 -0.247 85.5-122.7 -67.9 152.2 9.5 2.4 8.4 37 39 A S S S+ 0 0 98 91,-0.2 2,-0.3 92,-0.2 91,-0.1 0.655 94.7 25.0 -74.0 -13.8 6.9 5.2 7.7 38 40 A E S S- 0 0 158 89,-0.1 2,-0.3 2,-0.0 91,-0.1 -0.990 86.8-108.3-140.4 150.3 9.1 7.9 9.2 39 41 A F + 0 0 47 -2,-0.3 2,-0.3 89,-0.0 -26,-0.1 -0.579 60.6 133.9 -67.9 141.8 12.9 8.3 9.7 40 42 A G - 0 0 53 -28,-0.3 2,-0.3 -2,-0.3 -4,-0.1 -0.982 36.5-154.8-176.3 164.6 13.7 7.9 13.3 41 43 A E - 0 0 56 -2,-0.3 68,-0.1 -28,-0.1 2,-0.1 -0.938 44.8 -70.7-144.9 171.2 15.9 6.5 16.1 42 44 A V - 0 0 38 -2,-0.3 67,-1.3 1,-0.1 2,-1.3 -0.380 41.4-125.9 -61.8 136.5 15.6 5.7 19.8 43 45 A G S S+ 0 0 36 65,-0.2 2,-0.3 66,-0.1 -1,-0.1 -0.266 80.2 89.1 -80.5 51.2 15.5 8.8 22.0 44 46 A A S S- 0 0 0 -2,-1.3 64,-3.3 1,-0.1 65,-0.4 -0.831 79.8 -74.9-137.3 176.4 18.4 7.6 24.1 45 47 A G E -F 107 0B 2 62,-0.3 2,-0.3 -2,-0.3 62,-0.2 -0.198 31.9-179.1 -73.8 155.7 22.1 8.0 24.1 46 48 A L E -F 106 0B 13 60,-2.0 60,-2.1 2,-0.0 2,-0.4 -0.959 25.8-124.0-137.8 166.8 24.9 6.5 22.1 47 49 A Q E -F 105 0B 30 -2,-0.3 2,-0.5 58,-0.2 58,-0.3 -0.845 18.4-167.4-106.0 139.1 28.6 7.1 22.3 48 50 A V E -F 104 0B 2 56,-3.2 56,-2.4 -2,-0.4 255,-0.1 -0.894 9.2-160.7-131.9 102.1 30.7 8.2 19.3 49 51 A G >> - 0 0 0 -2,-0.5 4,-2.5 253,-0.4 3,-1.4 -0.063 41.6 -88.5 -73.7 178.3 34.4 8.0 19.7 50 52 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.774 123.4 70.2 -63.6 -23.5 36.9 9.9 17.6 51 53 A H H 34 S+ 0 0 1 1,-0.2 4,-0.2 2,-0.2 52,-0.1 0.828 114.5 28.4 -65.2 -26.9 37.0 7.1 15.0 52 54 A G H <> S+ 0 0 0 -3,-1.4 4,-2.2 2,-0.1 3,-0.4 0.801 117.4 58.9 -93.2 -36.7 33.4 8.3 14.2 53 55 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 49,-0.3 -2,-0.2 0.902 101.3 54.1 -64.7 -36.6 33.7 12.0 15.1 54 56 A R H X S+ 0 0 54 -4,-2.4 4,-1.9 1,-0.2 -1,-0.3 0.833 109.3 50.0 -64.6 -37.2 36.5 12.7 12.7 55 57 A I H > S+ 0 0 6 -3,-0.4 4,-1.8 -5,-0.3 -1,-0.2 0.920 107.9 51.2 -71.4 -45.5 34.4 11.3 9.9 56 58 A L H <>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 6,-0.8 0.870 109.3 53.0 -54.8 -38.8 31.3 13.4 10.8 57 59 A D H ><5S+ 0 0 85 -4,-2.0 3,-1.8 4,-0.2 -2,-0.2 0.923 104.2 54.6 -64.1 -42.2 33.7 16.4 10.7 58 60 A S H 3<5S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.885 107.9 49.9 -59.1 -37.5 34.9 15.5 7.2 59 61 A W T 3<5S- 0 0 18 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.478 117.6-116.7 -80.6 -3.7 31.2 15.5 6.1 60 62 A G T < 5S+ 0 0 63 -3,-1.8 4,-0.2 -4,-0.2 -3,-0.2 0.600 90.4 101.3 80.9 14.6 30.7 19.0 7.7 61 63 A V >< + 0 0 11 -5,-2.2 4,-2.5 2,-0.1 -4,-0.2 0.461 50.0 87.2-107.4 -5.7 28.2 17.8 10.2 62 64 A L H > S+ 0 0 10 -6,-0.8 4,-3.2 2,-0.2 5,-0.2 0.953 86.0 54.7 -64.0 -42.4 30.2 17.4 13.5 63 65 A D H > S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.913 113.3 43.6 -53.5 -46.1 29.9 21.1 14.6 64 66 A D H > S+ 0 0 73 -4,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.921 111.6 50.6 -70.2 -43.5 26.2 20.8 14.4 65 67 A V H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.939 111.0 52.1 -57.6 -42.0 26.0 17.4 16.0 66 68 A L H >< S+ 0 0 42 -4,-3.2 3,-1.8 1,-0.3 -1,-0.2 0.841 94.1 69.0 -66.3 -28.1 28.1 18.7 18.9 67 69 A S H 3< S+ 0 0 86 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.748 113.8 31.6 -63.8 -21.3 25.8 21.8 19.4 68 70 A R T << S+ 0 0 74 -3,-1.4 150,-0.5 -4,-0.6 39,-0.4 0.198 112.6 79.6-116.4 15.0 23.3 19.2 20.7 69 71 A A S < S- 0 0 9 -3,-1.8 150,-1.6 149,-0.2 2,-0.3 -0.201 72.9-117.0-107.7-172.2 25.7 16.6 22.2 70 72 A F B -G 105 0B 35 35,-2.5 35,-2.3 148,-0.2 148,-0.1 -0.986 12.5-145.4-133.6 146.5 27.7 16.3 25.4 71 73 A L - 0 0 93 -2,-0.3 33,-0.2 33,-0.2 146,-0.1 -0.852 17.2-154.6-115.1 94.3 31.5 16.1 25.8 72 74 A P - 0 0 7 0, 0.0 129,-0.3 0, 0.0 31,-0.2 -0.344 10.8-144.5 -66.8 148.5 32.5 13.8 28.6 73 75 A K S S- 0 0 113 127,-1.9 18,-2.5 1,-0.2 2,-0.3 0.795 76.2 -3.0 -82.0 -28.8 35.9 14.5 30.2 74 76 A N E -H 90 0C 28 126,-0.2 128,-2.5 16,-0.2 2,-0.5 -0.970 59.4-120.3-149.6 162.8 36.7 10.8 30.8 75 77 A I E -Hi 89 202C 11 14,-2.1 14,-2.9 -2,-0.3 2,-0.5 -0.975 40.2-163.9-101.4 127.7 35.4 7.2 30.6 76 78 A V E -Hi 88 203C 2 126,-3.3 128,-3.2 -2,-0.5 2,-0.5 -0.954 10.0-156.7-121.8 123.1 35.5 6.0 34.1 77 79 A F E +Hi 87 204C 13 10,-2.9 9,-3.1 -2,-0.5 10,-1.1 -0.890 16.8 179.8 -98.0 131.0 35.3 2.3 35.1 78 80 A R E -Hi 85 205C 73 126,-2.8 128,-2.8 -2,-0.5 2,-0.3 -0.934 35.6-105.4-125.9 149.3 34.0 1.5 38.6 79 81 A D E > - i 0 206C 0 5,-2.4 4,-2.1 -2,-0.3 128,-0.2 -0.573 26.4-142.9 -69.8 127.6 33.5 -1.8 40.4 80 82 A A T 4 S+ 0 0 1 126,-2.5 175,-3.1 -2,-0.3 178,-0.3 0.700 96.4 45.9 -71.2 -22.2 29.7 -2.4 40.4 81 83 A I T 4 S+ 0 0 54 125,-0.4 -1,-0.2 173,-0.3 175,-0.1 0.878 128.7 21.3 -85.8 -43.8 29.8 -4.0 44.0 82 84 A T T 4 S- 0 0 66 2,-0.1 -2,-0.2 173,-0.1 3,-0.1 0.604 89.9-132.9 -98.9 -14.0 32.0 -1.4 45.7 83 85 A A < + 0 0 12 -4,-2.1 -3,-0.1 1,-0.2 3,-0.1 0.381 53.2 153.5 66.3 7.9 31.6 1.6 43.5 84 86 A E - 0 0 79 -6,-0.1 -5,-2.4 1,-0.1 2,-0.3 -0.305 52.0-113.4 -65.3 135.1 35.5 2.0 43.6 85 87 A V E -H 78 0C 52 -7,-0.2 -7,-0.3 1,-0.2 -1,-0.1 -0.593 34.1-179.9 -66.6 130.5 37.1 3.8 40.6 86 88 A L E - 0 0 8 -9,-3.1 2,-0.3 1,-0.4 -8,-0.2 0.845 60.0 -29.3 -96.1 -57.4 39.2 1.2 38.8 87 89 A T E -H 77 0C 13 -10,-1.1 -10,-2.9 289,-0.1 -1,-0.4 -0.976 51.6-139.6-154.7 166.4 40.6 3.3 36.0 88 90 A K E -H 76 0C 95 -2,-0.3 2,-0.6 -12,-0.2 -12,-0.2 -0.963 8.2-145.8-128.2 141.6 39.8 6.3 33.8 89 91 A I E -H 75 0C 30 -14,-2.9 -14,-2.1 -2,-0.3 2,-0.4 -0.959 27.6-135.8 -98.7 112.7 40.4 7.0 30.1 90 92 A D E -H 74 0C 107 -2,-0.6 -16,-0.2 -16,-0.2 5,-0.1 -0.544 17.7-169.6 -68.9 119.9 41.2 10.7 29.8 91 93 A L + 0 0 4 -18,-2.5 12,-0.3 -2,-0.4 -17,-0.2 0.094 44.9 122.9-100.3 22.7 39.3 12.2 26.8 92 94 A G S > S- 0 0 17 -19,-0.2 4,-2.7 3,-0.1 5,-0.2 0.319 82.1 -65.1 -75.7-161.1 41.2 15.5 26.9 93 95 A S H > S+ 0 0 82 1,-0.2 4,-3.2 2,-0.2 5,-0.1 0.830 131.2 52.4 -69.3 -31.0 43.2 17.5 24.4 94 96 A E H > S+ 0 0 147 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.926 111.7 47.1 -64.3 -50.3 46.1 14.8 24.2 95 97 A F H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 6,-0.2 0.936 115.5 45.9 -49.6 -53.1 43.5 12.2 23.4 96 98 A R H X>S+ 0 0 113 -4,-2.7 4,-1.5 1,-0.2 5,-0.6 0.885 112.1 51.2 -69.0 -34.1 41.9 14.5 20.9 97 99 A G H <5S+ 0 0 64 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.914 112.6 46.7 -61.2 -41.7 45.2 15.3 19.4 98 100 A R H <5S+ 0 0 128 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.910 121.6 33.0 -68.0 -43.1 46.1 11.7 19.1 99 101 A Y H <5S- 0 0 6 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.440 103.3-118.5-103.7 -0.7 42.9 10.5 17.5 100 102 A G T <5S+ 0 0 51 -4,-1.5 -3,-0.2 -5,-0.2 -4,-0.1 0.601 81.0 29.4 78.3 16.1 41.8 13.5 15.5 101 103 A G S -F 45 0B 23 -39,-0.4 4,-2.1 -2,-0.3 3,-0.3 -0.638 35.5-137.6 -74.2 133.7 20.9 11.2 21.4 108 110 A R H > S+ 0 0 48 -64,-3.3 4,-2.6 -66,-0.3 5,-0.2 0.893 105.3 57.2 -54.9 -42.5 20.6 8.5 18.7 109 111 A S H > S+ 0 0 43 -67,-1.3 4,-2.4 -65,-0.4 -1,-0.2 0.876 107.7 46.5 -57.8 -39.0 17.6 10.3 17.4 110 112 A D H > S+ 0 0 37 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.920 112.0 48.1 -73.4 -43.0 19.5 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 0.932 113.9 49.0 -60.9 -45.6 22.5 12.0 15.2 112 114 A H H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.941 111.8 47.3 -62.5 -46.8 20.2 10.1 12.9 113 115 A A H X S+ 0 0 42 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.874 110.2 53.1 -61.5 -41.6 18.1 13.2 12.0 114 116 A T H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.924 111.0 46.4 -58.1 -46.7 21.2 15.3 11.4 115 117 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.910 113.2 48.8 -61.3 -45.3 22.6 12.6 9.0 116 118 A V H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.933 112.3 48.9 -60.9 -45.5 19.2 12.3 7.1 117 119 A D H X S+ 0 0 95 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.912 113.8 46.0 -63.9 -43.9 18.9 16.1 6.8 118 120 A A H X S+ 0 0 19 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.882 110.4 52.6 -70.1 -37.0 22.5 16.4 5.5 119 121 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.4 0.926 112.0 47.2 -63.2 -45.6 22.0 13.5 3.0 120 122 A R H ><5S+ 0 0 127 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.950 110.7 51.3 -60.0 -44.9 18.9 15.2 1.7 121 123 A A H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.832 107.7 53.7 -60.9 -32.9 20.7 18.5 1.4 122 124 A A T 3<5S- 0 0 37 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.461 130.0 -92.0 -83.7 -6.0 23.5 16.9 -0.5 123 125 A G T < 5S+ 0 0 48 -3,-1.8 -93,-0.3 -4,-0.4 -3,-0.2 0.367 72.0 148.3 114.4 -5.7 21.0 15.4 -3.0 124 126 A A < - 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