==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 09-MAY-09 2WIB . COMPND 2 MOLECULE: FERROUS IRON TRANSPORT PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR K.-W.HUNG,Y.-W.CHANG,J.-H.CHEN,Y.-C.CHEN,Y.-J.SUN, . 518 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 46 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 0 1 2 2 2 3 2 2 1 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 3 1 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A M 0 0 134 0, 0.0 2,-0.3 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 103.7 -1.8 20.7 8.0 2 2 A Q E -a 50 0A 131 47,-1.7 49,-2.2 1,-0.0 2,-0.2 -0.675 360.0-119.1 -91.9 143.5 0.7 18.6 9.9 3 3 A K E -a 51 0A 81 -2,-0.3 2,-0.4 47,-0.2 49,-0.2 -0.566 35.9-170.0 -74.6 143.8 1.7 19.5 13.5 4 4 A L E -a 52 0A 20 47,-2.1 49,-2.3 -2,-0.2 2,-0.6 -0.979 16.2-146.3-146.5 134.2 5.4 20.2 13.7 5 5 A T E -a 53 0A 40 -2,-0.4 82,-3.0 47,-0.2 83,-1.0 -0.913 20.2-176.7-103.1 114.6 7.6 20.6 16.8 6 6 A V E -ab 54 88A 0 47,-2.0 49,-2.6 -2,-0.6 2,-0.4 -0.884 16.1-145.1-107.4 137.8 10.5 23.2 16.4 7 7 A G E -ab 55 89A 0 81,-2.0 83,-3.4 -2,-0.4 2,-0.6 -0.796 12.3-143.2 -98.6 143.1 13.2 24.0 19.0 8 8 A L E +ab 56 90A 0 47,-2.4 49,-1.7 -2,-0.4 2,-0.4 -0.905 29.2 176.4-107.9 114.6 14.5 27.6 19.2 9 9 A I E + b 0 91A 0 81,-3.7 83,-3.4 -2,-0.6 2,-0.3 -0.942 9.7 123.8-132.1 155.8 18.3 27.8 19.9 10 10 A G E - b 0 92A 0 -2,-0.4 50,-1.7 48,-0.3 83,-0.1 -0.970 55.9 -73.7 174.4 154.3 21.1 30.3 20.3 11 11 A N > - 0 0 4 81,-0.5 3,-1.1 -2,-0.3 5,-0.3 -0.388 68.6 -86.5 -57.2 151.9 23.8 31.9 22.2 12 12 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 -0.432 116.7 25.0 -54.8 141.8 22.6 34.1 25.1 13 13 A N T 3 S+ 0 0 114 -3,-0.1 -2,-0.1 1,-0.1 372,-0.0 0.675 80.2 121.4 74.0 31.2 21.9 37.6 23.7 14 14 A S S < S- 0 0 0 -3,-1.1 81,-0.2 78,-0.1 106,-0.1 0.418 93.7 -97.9-103.4 -2.4 21.3 36.6 20.1 15 15 A G S > S+ 0 0 12 -4,-0.1 4,-1.9 79,-0.1 5,-0.2 0.614 74.8 148.5 97.6 20.5 17.8 38.1 20.2 16 16 A K H > + 0 0 22 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.849 69.8 46.9 -57.1 -33.1 16.0 34.8 20.9 17 17 A T H > S+ 0 0 72 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 107.8 55.4 -74.9 -43.3 13.2 36.2 23.0 18 18 A T H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.944 112.8 44.4 -48.8 -43.7 12.5 38.9 20.6 19 19 A L H X S+ 0 0 0 -4,-1.9 4,-4.0 1,-0.2 5,-0.2 0.932 107.4 56.3 -69.7 -56.5 12.1 36.3 18.0 20 20 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.4 0.886 112.2 45.7 -34.5 -51.6 10.0 33.9 20.1 21 21 A N H X S+ 0 0 67 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.900 109.8 51.7 -73.2 -36.1 7.6 36.8 20.6 22 22 A Q H < S+ 0 0 76 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.967 116.4 42.6 -61.8 -42.6 7.6 37.8 17.0 23 23 A L H < S+ 0 0 8 -4,-4.0 -2,-0.2 1,-0.2 -1,-0.2 0.944 127.6 24.7 -70.9 -38.3 6.7 34.2 16.1 24 24 A T H >< S- 0 0 6 -4,-2.9 3,-1.8 1,-0.2 20,-0.3 0.652 79.2-171.9-105.2 -16.8 4.1 33.4 18.8 25 25 A G T 3< S- 0 0 40 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.1 -0.331 72.7 -20.0 61.0-138.3 2.7 36.7 19.8 26 26 A A T 3 S+ 0 0 101 1,-0.1 2,-1.9 17,-0.0 -1,-0.3 0.637 117.4 95.5 -76.1 -16.7 0.4 36.3 22.8 27 27 A R < + 0 0 180 -3,-1.8 17,-1.7 17,-0.2 2,-0.3 -0.521 59.8 106.3 -78.1 75.9 0.0 32.6 22.2 28 28 A Q E -C 43 0A 58 -2,-1.9 2,-0.3 15,-0.2 15,-0.3 -0.980 52.1-150.4-150.9 152.9 2.7 31.3 24.5 29 29 A R E -C 42 0A 187 13,-3.3 13,-1.6 -2,-0.3 2,-0.5 -0.935 13.8-133.9-123.6 150.2 2.6 29.5 27.9 30 30 A V E +C 41 0A 90 -2,-0.3 11,-0.2 11,-0.2 2,-0.1 -0.914 41.7 140.2-112.3 126.1 5.2 29.7 30.7 31 31 A G E -C 40 0A 34 9,-2.3 9,-0.9 -2,-0.5 2,-0.3 -0.412 40.8-105.1-138.0-157.6 6.3 26.4 32.3 32 32 A N E -C 39 0A 94 7,-0.3 7,-0.3 -2,-0.1 2,-0.2 -0.989 32.6 -94.8-144.9 147.6 9.4 24.7 33.6 33 33 A W > - 0 0 22 5,-2.1 3,-1.2 -2,-0.3 5,-0.2 -0.411 67.1 -84.7 -57.8 119.9 11.9 22.0 32.5 34 34 A A T 3 S+ 0 0 99 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.140 107.7 0.4 -20.6 120.8 10.7 18.8 34.2 35 35 A G T 3 S+ 0 0 92 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.677 119.9 81.5 68.4 29.0 12.1 18.4 37.8 36 36 A V S < S- 0 0 35 -3,-1.2 -1,-0.2 2,-0.2 0, 0.0 -0.870 80.2-114.9-161.2 172.6 14.0 21.7 37.8 37 37 A T S S+ 0 0 133 -2,-0.3 -3,-0.1 -3,-0.1 -2,-0.1 0.686 73.0 107.9 -96.6 -25.2 13.8 25.4 38.2 38 38 A V S S- 0 0 14 -5,-0.2 -5,-2.1 1,-0.1 2,-0.3 -0.288 72.5-116.3 -68.6 134.9 14.7 26.7 34.7 39 39 A E E -C 32 0A 107 -7,-0.3 2,-0.5 -9,-0.0 -7,-0.3 -0.630 21.5-158.1 -78.4 139.2 11.7 28.1 32.8 40 40 A R E -C 31 0A 62 -9,-0.9 -9,-2.3 -2,-0.3 2,-0.3 -0.989 9.3-165.6-117.6 106.1 10.5 26.4 29.6 41 41 A K E +C 30 0A 19 -2,-0.5 15,-1.8 15,-0.3 2,-0.3 -0.763 12.8 170.8 -89.4 149.8 8.6 28.7 27.3 42 42 A E E +CD 29 55A 59 -13,-1.6 -13,-3.3 -2,-0.3 2,-0.2 -0.965 2.3 157.6-158.9 147.5 6.6 27.3 24.5 43 43 A G E -CD 28 54A 6 11,-2.5 11,-2.0 -2,-0.3 2,-0.3 -0.840 25.3-113.5-158.4-169.1 4.1 28.7 22.1 44 44 A I E + D 0 53A 87 -17,-1.7 2,-0.3 -20,-0.3 9,-0.2 -0.982 24.6 159.0-143.6 156.4 2.4 28.2 18.7 45 45 A F E - D 0 52A 13 7,-2.0 7,-4.0 -2,-0.3 2,-0.5 -0.980 29.3-120.8-171.9 169.8 2.0 29.5 15.1 46 46 A A E - D 0 51A 60 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.891 15.9-169.4-126.2 126.9 1.0 28.4 11.9 47 47 A T - 0 0 11 3,-2.7 114,-0.1 -2,-0.5 110,-0.0 -0.511 54.7 -81.4 -99.6-172.0 2.9 28.4 8.6 48 48 A T S S+ 0 0 114 1,-0.2 113,-0.1 -2,-0.2 3,-0.0 0.892 127.7 16.1 -57.6 -32.6 1.3 27.7 5.3 49 49 A D S S+ 0 0 79 1,-0.1 -47,-1.7 -48,-0.1 2,-0.4 0.570 119.3 56.3-117.5 -6.6 1.6 23.9 5.9 50 50 A H E -a 2 0A 26 -49,-0.2 -3,-2.7 2,-0.0 2,-0.7 -0.925 58.0-144.6-133.7 146.6 2.3 23.3 9.7 51 51 A Q E -aD 3 46A 116 -49,-2.2 -47,-2.1 -2,-0.4 2,-0.4 -0.975 42.1-153.4-100.2 110.7 0.8 24.1 13.0 52 52 A V E -aD 4 45A 1 -7,-4.0 -7,-2.0 -2,-0.7 2,-0.6 -0.814 22.9-156.9 -97.4 135.9 4.0 24.6 14.9 53 53 A T E -aD 5 44A 46 -49,-2.3 -47,-2.0 -2,-0.4 2,-0.6 -0.935 19.3-157.8 -95.3 113.1 4.8 24.2 18.6 54 54 A L E -aD 6 43A 0 -11,-2.0 -11,-2.5 -2,-0.6 2,-0.7 -0.845 4.3-163.9 -92.3 123.6 7.9 26.4 19.2 55 55 A V E -aD 7 42A 3 -49,-2.6 -47,-2.4 -2,-0.6 -13,-0.2 -0.924 14.0-140.6-110.2 110.6 9.8 25.3 22.4 56 56 A D E -a 8 0A 16 -15,-1.8 -15,-0.3 -2,-0.7 -47,-0.1 -0.494 18.2-157.2 -69.9 136.4 12.3 27.9 23.6 57 57 A L - 0 0 0 -49,-1.7 3,-0.1 -2,-0.1 -47,-0.1 -0.868 26.4 -92.3-122.5 148.7 15.5 26.4 24.8 58 58 A P - 0 0 13 0, 0.0 -48,-0.3 0, 0.0 19,-0.1 -0.344 48.0 -99.2 -64.9 141.3 18.0 28.0 27.2 59 59 A G + 0 0 24 -50,-0.1 2,-0.3 -48,-0.1 -48,-0.2 -0.344 51.3 164.6 -54.9 143.1 20.8 30.1 25.7 60 60 A T - 0 0 5 -50,-1.7 3,-0.1 -3,-0.1 44,-0.1 -0.958 36.4-150.5-155.3 151.2 24.1 28.2 25.5 61 61 A Y S S+ 0 0 126 1,-0.3 2,-0.3 -2,-0.3 43,-0.3 0.647 87.7 12.9 -96.7 -20.4 27.4 28.9 23.5 62 62 A S - 0 0 30 1,-0.2 -1,-0.3 12,-0.1 42,-0.1 -1.000 55.2-146.3-153.5 146.3 28.2 25.3 23.3 63 63 A L S S+ 0 0 6 -2,-0.3 15,-0.2 -3,-0.1 -1,-0.2 0.971 81.1 81.2 -80.2 -42.5 26.5 22.0 23.8 64 64 A T - 0 0 15 1,-0.1 2,-0.7 148,-0.1 -2,-0.0 -0.129 63.6-157.3 -51.4 122.7 29.7 20.2 25.0 65 65 A T + 0 0 22 1,-0.1 148,-2.1 2,-0.1 149,-0.2 -0.876 20.8 171.4-107.6 127.4 30.8 20.6 28.5 66 66 A I + 0 0 75 -2,-0.7 2,-0.2 146,-0.2 146,-0.1 -0.186 69.8 69.8 -94.3 28.1 34.5 20.0 29.1 67 67 A S S S- 0 0 55 1,-0.1 146,-0.1 144,-0.0 -2,-0.1 -0.543 71.3-138.3-147.1-171.2 33.7 21.3 32.5 68 68 A S S S+ 0 0 106 -2,-0.2 3,-0.1 145,-0.0 -1,-0.1 0.722 92.2 40.1-124.4 -41.5 32.0 20.9 35.8 69 69 A Q S S+ 0 0 96 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.101 70.3 121.9-109.5 14.7 30.4 24.1 36.9 70 70 A T S S- 0 0 76 1,-0.1 2,-0.2 3,-0.0 -1,-0.1 0.874 72.2 -94.3 -40.8 -75.0 28.9 25.5 33.7 71 71 A S - 0 0 53 -3,-0.1 4,-0.3 1,-0.1 -1,-0.1 -0.753 13.2-106.8 165.1 166.6 25.2 25.7 34.7 72 72 A L S >> S+ 0 0 97 -2,-0.2 3,-2.8 2,-0.2 4,-0.7 0.962 115.3 56.7 -84.0 -43.8 21.9 23.9 34.6 73 73 A D H >> S+ 0 0 79 1,-0.3 3,-2.5 2,-0.2 4,-0.7 0.803 107.7 43.2 -43.5 -79.7 20.6 26.3 31.9 74 74 A E H 34 S+ 0 0 19 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.629 111.4 59.4 -43.2 -16.8 23.3 25.8 29.4 75 75 A Q H <> S+ 0 0 44 -3,-2.8 4,-0.5 -4,-0.3 -1,-0.3 0.555 94.6 62.6-100.4 -8.1 23.1 21.9 30.0 76 76 A I H S+ 0 0 21 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.956 107.6 51.4 -59.8 -42.3 21.6 19.3 24.6 79 79 A H H X S+ 0 0 106 -4,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.881 113.1 42.4 -69.7 -41.0 19.3 17.0 26.4 80 80 A Y H >X>S+ 0 0 4 -4,-2.0 4,-0.7 2,-0.2 5,-0.7 0.883 111.6 53.7 -67.6 -47.7 16.2 18.1 24.6 81 81 A I H ><5S+ 0 0 5 -4,-2.5 3,-1.2 1,-0.2 5,-0.3 0.968 112.1 46.6 -54.1 -48.1 17.8 18.3 21.2 82 82 A L H 3<5S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.585 97.3 70.8 -70.8 -23.5 19.0 14.6 21.6 83 83 A S H <<5S- 0 0 54 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.656 97.2-134.5 -69.8 -16.3 15.7 13.3 22.9 84 84 A G T <<5 + 0 0 46 -3,-1.2 -2,-0.1 -4,-0.7 -3,-0.1 0.615 69.1 124.9 81.7 1.2 14.2 13.7 19.4 85 85 A D < + 0 0 106 -5,-0.7 2,-0.4 2,-0.0 -80,-0.1 0.785 61.9 75.1 -72.4 -16.7 11.0 15.4 20.5 86 86 A A - 0 0 13 -6,-0.4 -80,-0.2 -5,-0.3 3,-0.1 -0.785 65.8-160.5 -90.3 136.2 11.8 18.3 18.1 87 87 A D S S- 0 0 79 -82,-3.0 2,-0.3 -2,-0.4 -81,-0.2 0.693 76.5 -9.7 -81.0 -35.0 11.3 17.7 14.3 88 88 A M E -b 6 0A 7 -83,-1.0 -81,-2.0 25,-0.1 2,-0.3 -0.944 69.4-124.6-154.6 166.1 13.7 20.6 13.3 89 89 A L E -be 7 115A 0 25,-2.8 27,-2.2 -2,-0.3 2,-0.6 -0.891 3.4-144.4-118.9 152.8 15.5 23.5 15.0 90 90 A I E -be 8 116A 0 -83,-3.4 -81,-3.7 -2,-0.3 2,-0.8 -0.968 20.5-155.9-109.0 122.1 15.6 27.3 14.5 91 91 A N E -be 9 117A 1 25,-2.6 27,-2.2 -2,-0.6 2,-0.6 -0.842 3.8-151.3 -97.7 109.2 19.1 28.4 15.2 92 92 A V E -be 10 118A 1 -83,-3.4 -81,-0.5 -2,-0.8 2,-0.4 -0.645 18.1-172.8 -84.4 115.8 19.2 32.2 16.2 93 93 A V E - e 0 119A 1 25,-3.3 27,-3.2 -2,-0.6 2,-1.1 -0.900 26.0-135.4-115.4 135.1 22.6 33.8 15.1 94 94 A D E > - e 0 120A 0 -2,-0.4 3,-2.7 3,-0.2 7,-0.3 -0.805 16.6-158.4 -83.3 95.9 23.8 37.2 16.0 95 95 A A G > S+ 0 0 1 25,-3.0 3,-0.6 -2,-1.1 -1,-0.2 0.718 88.6 66.6 -50.4 -23.4 25.2 38.3 12.6 96 96 A S G 3 S+ 0 0 16 24,-0.3 -1,-0.3 1,-0.2 25,-0.1 0.564 111.6 30.8 -82.1 -0.5 27.3 40.8 14.4 97 97 A N G <> S+ 0 0 40 -3,-2.7 4,-2.7 1,-0.1 -3,-0.2 -0.539 77.1 153.3-145.2 59.3 29.4 38.0 16.1 98 98 A L H <> + 0 0 11 -3,-0.6 4,-2.3 1,-0.2 -4,-0.1 0.982 65.7 51.5 -66.3 -57.6 29.3 35.4 13.6 99 99 A E H 4 S+ 0 0 99 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.913 115.3 44.9 -48.6 -43.1 32.4 33.5 14.1 100 100 A R H >4 S+ 0 0 116 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.933 113.8 48.3 -71.7 -41.7 31.5 33.1 17.9 101 101 A N H 3X S+ 0 0 4 -4,-2.7 4,-1.5 -7,-0.3 3,-0.4 0.761 99.4 68.9 -65.1 -24.8 27.9 32.2 17.3 102 102 A L H 3X S+ 0 0 5 -4,-2.3 4,-2.6 -3,-0.4 -1,-0.2 0.571 80.0 76.2 -78.6 -4.8 28.7 29.5 14.7 103 103 A Y H <> S+ 0 0 23 -3,-1.2 4,-1.7 -4,-0.3 -1,-0.2 0.978 103.4 38.9 -65.8 -52.0 30.4 27.2 17.2 104 104 A L H > S+ 0 0 0 -4,-0.5 4,-1.9 -3,-0.4 3,-0.5 0.978 114.5 54.5 -63.6 -53.7 26.9 26.2 18.4 105 105 A T H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.912 108.2 50.2 -38.5 -48.6 25.5 26.2 14.8 106 106 A L H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.840 105.9 53.7 -71.6 -32.3 28.2 23.9 13.7 107 107 A Q H X S+ 0 0 0 -4,-1.7 4,-2.9 -3,-0.5 -1,-0.2 0.900 108.9 51.5 -64.9 -40.3 27.7 21.3 16.5 108 108 A L H X>S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 5,-0.8 0.921 109.6 47.0 -65.6 -43.8 24.0 21.2 15.5 109 109 A L H <5S+ 0 0 8 -4,-2.1 3,-0.3 2,-0.2 -1,-0.2 0.930 111.3 53.9 -63.2 -37.5 24.7 20.5 11.8 110 110 A E H <5S+ 0 0 24 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.951 106.0 51.5 -63.8 -39.9 27.2 17.9 13.0 111 111 A L H <5S- 0 0 3 -4,-2.9 -1,-0.3 1,-0.1 -2,-0.2 0.771 109.9-132.2 -60.0 -30.0 24.4 16.3 15.0 112 112 A G T <5 + 0 0 27 -4,-1.5 57,-0.3 -3,-0.3 -3,-0.2 0.409 48.7 154.2 97.7 -3.0 22.3 16.4 11.9 113 113 A I < - 0 0 14 -5,-0.8 -1,-0.3 1,-0.1 -24,-0.1 -0.365 57.9 -99.8 -60.0 127.6 19.1 17.8 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91.4 53.2 -60.1 -38.5 38.8 78.3 10.3 499 241 B A H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.943 116.5 38.1 -59.9 -50.1 36.6 75.4 9.1 500 242 B L H > S+ 0 0 86 -3,-0.5 4,-3.1 2,-0.2 5,-0.2 0.937 114.8 53.4 -73.2 -44.2 39.1 72.8 10.0 501 243 B H H X S+ 0 0 56 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.937 107.8 50.8 -57.7 -48.9 40.2 74.5 13.2 502 244 B I H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.954 113.4 47.6 -48.0 -54.4 36.6 74.7 14.4 503 245 B A H >X S+ 0 0 27 -4,-2.1 4,-4.0 1,-0.2 3,-0.8 0.945 109.3 51.2 -54.9 -55.2 36.2 71.0 13.7 504 246 B D H 3X S+ 0 0 80 -4,-3.1 4,-3.0 1,-0.3 -1,-0.2 0.846 105.5 53.9 -56.7 -41.4 39.3 69.9 15.3 505 247 B A H 3X S+ 0 0 7 -4,-2.4 4,-1.8 -5,-0.2 -71,-0.3 0.828 114.9 40.6 -70.1 -28.9 38.7 71.6 18.5 506 248 B R H < S+ 0 0 125 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.907 111.8 51.6 -64.3 -33.7 38.4 58.4 26.4 516 258 B A H 3< S+ 0 0 59 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.801 119.4 36.1 -71.1 -26.3 37.6 59.7 29.9 517 259 B V H 3< S+ 0 0 5 -4,-2.1 -126,-2.6 -5,-0.2 2,-0.3 0.460 101.9 78.0-108.3 5.3 34.4 57.7 30.1 518 260 B S E << +O 390 0E 44 -4,-1.1 2,-0.2 -3,-0.5 -128,-0.2 -0.904 45.2 148.4-122.7 145.7 35.0 54.4 28.2 519 261 B N E O 389 0E 68 -130,-0.6 -130,-1.6 -2,-0.3 -2,-0.0 -0.693 360.0 360.0-159.1-167.1 36.9 51.3 29.5 520 262 B T 0 0 113 -2,-0.2 -131,-0.2 -132,-0.2 -2,-0.0 0.279 360.0 360.0 35.7 360.0 36.7 47.5 29.0