==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-FEB-10 3LQN . COMPND 2 MOLECULE: CBS DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR Y.KIM,R.MULLIGAN,J.HASSEMAN,W.F.ANDERSON,A.JOACHIMIAK,CENTER . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 19.6 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 8 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 1 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 5 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A P > 0 0 102 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 74.3 -1.9 -10.3 11.2 2 6 A K H > + 0 0 154 2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.723 360.0 59.2 -66.6 -23.8 1.8 -10.1 10.3 3 7 A D H > S+ 0 0 120 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.964 109.6 45.6 -61.7 -50.3 0.9 -10.1 6.7 4 8 A E H >> S+ 0 0 92 2,-0.2 3,-0.8 1,-0.2 4,-0.5 0.957 114.0 46.6 -52.8 -57.5 -1.0 -7.0 7.6 5 9 A F H >< S+ 0 0 63 -4,-2.8 3,-0.8 1,-0.3 94,-0.6 0.901 116.7 43.4 -57.1 -43.6 1.8 -5.5 9.7 6 10 A Q H 3< S+ 0 0 138 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.595 114.4 51.3 -81.3 -12.5 4.5 -6.2 7.0 7 11 A Q H << S+ 0 0 130 -4,-1.4 2,-0.6 -3,-0.8 -1,-0.2 0.295 89.6 89.9-105.4 11.6 2.2 -5.0 4.2 8 12 A I << - 0 0 14 -3,-0.8 91,-1.2 -4,-0.5 2,-0.2 -0.938 59.5-178.9-107.4 120.5 1.3 -1.7 5.8 9 13 A F B >> -A 98 0A 68 -2,-0.6 3,-1.4 89,-0.2 4,-0.8 -0.665 44.7 -94.8-111.6 171.6 3.7 1.0 4.8 10 14 A V H >> S+ 0 0 1 87,-2.4 4,-1.8 84,-0.3 3,-1.3 0.904 122.7 58.6 -51.6 -43.1 4.0 4.6 5.6 11 15 A K H 34 S+ 0 0 104 84,-2.5 -1,-0.3 1,-0.3 85,-0.1 0.738 102.1 54.5 -62.8 -24.6 2.1 5.6 2.4 12 16 A D H <4 S+ 0 0 78 -3,-1.4 -1,-0.3 83,-0.3 -2,-0.2 0.706 116.5 35.4 -80.5 -22.9 -0.9 3.5 3.6 13 17 A L H << S+ 0 0 28 -3,-1.3 113,-0.3 -4,-0.8 -2,-0.2 0.567 96.5 103.1-103.6 -19.4 -1.2 5.3 6.9 14 18 A M S < S- 0 0 35 -4,-1.8 2,-0.6 -5,-0.2 111,-0.2 -0.237 72.5-119.9 -75.9 157.9 -0.2 8.9 6.0 15 19 A I E -B 124 0B 51 109,-3.6 109,-2.1 1,-0.0 -1,-0.1 -0.849 45.4-110.0 -87.0 127.5 -2.4 11.9 5.5 16 20 A S E > -B 123 0B 37 -2,-0.6 3,-2.5 107,-0.2 107,-0.3 -0.244 19.1-117.9 -68.6 150.5 -1.8 12.9 1.9 17 21 A S G > S+ 0 0 33 105,-1.8 3,-1.8 1,-0.3 106,-0.2 0.782 109.7 66.1 -62.2 -30.0 0.2 16.1 1.3 18 22 A E G 3 S+ 0 0 137 1,-0.3 -1,-0.3 104,-0.2 -2,-0.1 0.718 100.8 51.0 -64.7 -14.3 -2.8 17.8 -0.5 19 23 A K G < S+ 0 0 148 -3,-2.5 2,-0.5 2,-0.1 -1,-0.3 0.315 98.6 84.4 -99.8 4.5 -4.7 17.8 2.8 20 24 A V S < S- 0 0 8 -3,-1.8 24,-0.1 -4,-0.2 2,-0.0 -0.937 73.7-133.8-115.0 126.6 -1.8 19.4 4.7 21 25 A A - 0 0 29 -2,-0.5 2,-0.3 14,-0.1 -2,-0.1 -0.376 29.8-179.4 -69.0 156.4 -1.1 23.1 4.9 22 26 A H - 0 0 71 22,-0.2 2,-0.3 34,-0.0 24,-0.2 -0.925 15.3-157.2-145.5 168.3 2.5 24.3 4.3 23 27 A V B -e 46 0C 1 22,-1.6 24,-2.8 -2,-0.3 2,-0.3 -0.867 20.3-116.5-135.4 177.8 4.6 27.5 4.3 24 28 A Q > - 0 0 81 -2,-0.3 3,-2.1 22,-0.2 58,-0.3 -0.788 32.1-103.9-115.4 157.2 8.0 28.6 2.7 25 29 A I T 3 S+ 0 0 53 22,-0.5 58,-1.8 1,-0.3 57,-0.3 0.854 118.2 48.1 -46.2 -47.4 11.2 29.6 4.4 26 30 A G T 3 S+ 0 0 40 56,-0.2 -1,-0.3 55,-0.1 2,-0.1 0.425 83.0 118.3 -82.3 -1.3 10.7 33.3 3.7 27 31 A N S < S- 0 0 36 -3,-2.1 55,-2.9 1,-0.1 56,-0.2 -0.400 70.6-109.3 -62.2 144.4 7.1 33.5 4.9 28 32 A G B > -H 81 0D 28 53,-0.3 4,-2.4 1,-0.1 53,-0.3 -0.276 20.8-120.5 -62.6 154.5 6.5 35.9 7.8 29 33 A L H > S+ 0 0 0 51,-2.2 4,-2.6 48,-0.8 5,-0.2 0.778 113.8 57.9 -73.4 -25.4 5.6 34.4 11.2 30 34 A E H > S+ 0 0 102 47,-0.5 4,-2.0 50,-0.3 -1,-0.2 0.920 110.2 45.4 -66.0 -42.0 2.2 36.2 11.3 31 35 A H H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.951 115.4 46.6 -60.0 -51.8 1.4 34.4 8.0 32 36 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.905 111.6 49.9 -60.6 -42.9 2.7 31.1 9.3 33 37 A L H X S+ 0 0 32 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.905 111.2 50.0 -66.9 -36.5 0.9 31.4 12.6 34 38 A L H X S+ 0 0 105 -4,-2.0 4,-3.1 -5,-0.2 5,-0.2 0.914 109.9 49.8 -66.3 -39.5 -2.4 32.2 10.8 35 39 A V H X S+ 0 0 33 -4,-2.2 4,-2.2 2,-0.2 6,-0.3 0.934 112.3 49.2 -63.7 -44.0 -2.0 29.2 8.5 36 40 A L H X>S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.2 5,-0.6 0.942 116.2 41.3 -58.0 -49.3 -1.3 26.9 11.5 37 41 A V H <5S+ 0 0 99 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.910 115.7 48.7 -69.5 -44.0 -4.3 28.2 13.4 38 42 A K H <5S+ 0 0 170 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.849 113.9 47.1 -64.1 -32.4 -6.7 28.3 10.4 39 43 A S H <5S- 0 0 43 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.775 101.8-130.6 -82.5 -25.2 -5.7 24.8 9.3 40 44 A G T <5 + 0 0 68 -4,-1.6 2,-0.3 1,-0.4 -3,-0.1 0.491 64.4 130.3 81.8 5.0 -6.0 23.2 12.8 41 45 A Y < - 0 0 53 -5,-0.6 -1,-0.4 -6,-0.3 -2,-0.1 -0.656 53.2-151.3 -84.1 146.0 -2.6 21.6 12.5 42 46 A S S S+ 0 0 79 1,-0.3 17,-1.9 -2,-0.3 18,-0.4 0.642 86.3 20.2 -91.9 -16.2 -0.2 22.1 15.4 43 47 A A E - F 0 58C 9 15,-0.2 -1,-0.3 16,-0.1 15,-0.2 -0.996 67.2-172.9-146.2 152.7 2.6 21.8 13.0 44 48 A I E - F 0 57C 0 13,-2.6 13,-2.9 -2,-0.3 -22,-0.2 -0.976 30.5 -99.8-140.9 153.3 3.1 22.1 9.2 45 49 A P E - F 0 56C 0 0, 0.0 -22,-1.6 0, 0.0 2,-0.5 -0.409 22.6-136.5 -71.1 146.4 5.9 21.4 6.8 46 50 A V E -eF 23 55C 0 9,-3.1 8,-3.0 -24,-0.2 9,-1.2 -0.957 33.1-173.7 -96.4 119.9 8.2 24.1 5.4 47 51 A L E - F 0 53C 2 -24,-2.8 -22,-0.5 -2,-0.5 6,-0.2 -0.749 19.6-132.1-116.9 156.4 8.6 23.5 1.7 48 52 A D > - 0 0 34 4,-2.0 3,-2.1 -2,-0.3 -1,-0.0 -0.374 46.6 -86.2 -91.7-177.8 10.7 25.0 -1.1 49 53 A P T 3 S+ 0 0 105 0, 0.0 -25,-0.0 0, 0.0 -2,-0.0 0.695 129.7 56.7 -69.4 -12.2 9.4 26.0 -4.5 50 54 A M T 3 S- 0 0 106 2,-0.1 3,-0.1 0, 0.0 0, 0.0 0.271 120.0-109.5 -94.9 11.4 9.9 22.5 -5.8 51 55 A Y < + 0 0 139 -3,-2.1 70,-2.6 1,-0.3 2,-0.3 0.814 69.9 149.0 63.5 34.4 7.7 21.2 -2.9 52 56 A K B -I 120 0E 62 68,-0.3 -4,-2.0 63,-0.1 2,-0.4 -0.757 52.4-105.7 -95.1 146.5 10.7 19.6 -1.2 53 57 A L E +F 47 0C 32 66,-1.8 -6,-0.2 -2,-0.3 3,-0.1 -0.588 42.0 164.2 -79.7 124.5 10.8 19.3 2.5 54 58 A H E - 0 0 66 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.636 61.3 -55.6-105.5 -29.8 13.0 21.8 4.5 55 59 A G E -F 46 0C 0 -9,-1.2 -9,-3.1 34,-0.1 -1,-0.4 -0.979 53.1 -86.9 173.2-169.8 11.7 21.5 8.0 56 60 A L E -FG 45 87C 12 31,-2.1 31,-2.6 -2,-0.3 2,-0.4 -0.941 24.4-160.5-125.5 150.5 8.7 21.7 10.2 57 61 A I E -F 44 0C 0 -13,-2.9 -13,-2.6 -2,-0.3 2,-0.3 -1.000 12.1-174.0-133.1 134.8 7.2 24.7 12.0 58 62 A S E > -F 43 0C 17 -2,-0.4 4,-2.1 -15,-0.2 -15,-0.2 -0.807 39.3-115.0-120.6 161.9 4.8 24.5 14.9 59 63 A T H > S+ 0 0 46 -17,-1.9 4,-2.9 -2,-0.3 5,-0.3 0.937 120.4 56.5 -56.3 -47.3 2.7 26.9 17.0 60 64 A A H > S+ 0 0 54 -18,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.889 105.9 49.1 -49.1 -45.4 5.0 25.9 19.9 61 65 A M H > S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.921 113.2 48.4 -65.9 -39.8 8.1 27.0 17.9 62 66 A I H X S+ 0 0 0 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.946 114.0 42.9 -63.6 -51.9 6.5 30.3 17.0 63 67 A L H >< S+ 0 0 61 -4,-2.9 3,-1.4 1,-0.2 10,-0.2 0.905 112.6 54.0 -65.3 -36.9 5.4 31.2 20.5 64 68 A D H >< S+ 0 0 116 -4,-2.7 3,-1.3 -5,-0.3 -1,-0.2 0.861 102.9 60.2 -61.9 -32.9 8.8 30.0 22.0 65 69 A G H 3< S+ 0 0 21 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.673 112.5 36.0 -70.6 -19.8 10.4 32.4 19.5 66 70 A I T << S+ 0 0 1 -3,-1.4 7,-3.5 -4,-0.5 2,-0.9 -0.007 81.2 138.6-121.1 28.3 8.5 35.3 21.0 67 71 A L B < -J 72 0F 115 -3,-1.3 5,-0.2 5,-0.2 2,-0.1 -0.621 31.8-173.1 -78.6 109.2 8.7 34.2 24.7 68 72 A G - 0 0 12 3,-2.0 -2,-0.1 -2,-0.9 -1,-0.0 -0.302 38.3-102.3 -88.9 179.9 9.5 37.3 26.7 69 73 A L S S+ 0 0 182 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.931 117.6 15.0 -65.5 -42.7 10.2 37.5 30.4 70 74 A E S S+ 0 0 178 1,-0.2 2,-0.3 -3,-0.0 -1,-0.1 0.423 131.5 10.1-116.4 -5.8 6.7 38.8 31.3 71 75 A R S S- 0 0 136 -5,-0.1 -3,-2.0 2,-0.0 2,-0.6 -0.983 80.1 -89.6-164.3 164.1 4.6 38.2 28.2 72 76 A I B -J 67 0F 65 -2,-0.3 2,-1.7 -5,-0.2 -5,-0.2 -0.816 45.9-137.5 -81.6 121.3 4.4 36.5 24.8 73 77 A E > + 0 0 49 -7,-3.5 3,-2.0 -2,-0.6 4,-0.2 -0.476 36.1 165.2 -90.3 69.1 5.8 39.3 22.6 74 78 A F G > + 0 0 103 -2,-1.7 3,-1.8 1,-0.3 4,-0.4 0.718 65.7 72.3 -61.4 -25.0 3.4 39.1 19.7 75 79 A E G > S+ 0 0 97 1,-0.3 3,-0.7 -3,-0.2 -1,-0.3 0.789 89.7 65.3 -61.7 -25.9 4.5 42.5 18.2 76 80 A R G X S+ 0 0 82 -3,-2.0 3,-1.3 1,-0.2 4,-0.4 0.688 81.1 78.0 -65.2 -20.6 7.7 40.7 17.3 77 81 A L G X S+ 0 0 8 -3,-1.8 3,-1.5 1,-0.3 -48,-0.8 0.861 83.0 62.8 -62.7 -33.4 6.0 38.4 14.8 78 82 A E G < S+ 0 0 137 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.744 106.2 46.9 -62.3 -23.9 5.7 41.1 12.1 79 83 A E G < S+ 0 0 138 -3,-1.3 -1,-0.3 -4,-0.3 2,-0.3 0.489 102.0 82.2 -94.8 -7.0 9.5 41.2 11.9 80 84 A M < - 0 0 10 -3,-1.5 -51,-2.2 -4,-0.4 -50,-0.3 -0.702 58.3-150.1-110.6 157.0 10.2 37.5 11.8 81 85 A K B > -H 28 0D 92 -53,-0.3 3,-1.7 -2,-0.3 4,-0.4 -0.801 32.3-108.7-119.7 161.5 10.3 34.8 9.2 82 86 A V G >> S+ 0 0 0 -55,-2.9 4,-1.9 -58,-0.3 3,-1.9 0.878 113.9 66.0 -53.3 -39.5 9.7 31.0 9.3 83 87 A E G 34 S+ 0 0 106 -58,-1.8 -1,-0.3 1,-0.3 -57,-0.1 0.768 92.9 62.0 -55.3 -29.3 13.4 30.4 8.8 84 88 A Q G <4 S+ 0 0 115 -3,-1.7 -1,-0.3 -59,-0.2 -2,-0.2 0.664 119.1 20.1 -77.7 -15.6 14.2 31.8 12.3 85 89 A V T <4 S+ 0 0 25 -3,-1.9 -27,-0.2 -4,-0.4 -2,-0.2 0.481 91.3 114.7-129.8 -12.4 12.1 29.3 14.3 86 90 A M < - 0 0 23 -4,-1.9 2,-0.5 -29,-0.1 -29,-0.2 -0.222 62.9-122.7 -63.3 162.5 11.6 26.2 12.1 87 91 A K B +G 56 0C 112 -31,-2.6 -31,-2.1 1,-0.1 3,-0.1 -0.904 25.4 179.8-107.9 124.0 13.2 22.8 13.0 88 92 A Q S S+ 0 0 135 -2,-0.5 2,-1.5 -33,-0.2 -1,-0.1 0.737 70.7 71.2 -94.9 -29.4 15.4 21.3 10.3 89 93 A D S S+ 0 0 150 -33,-0.1 -1,-0.2 2,-0.0 -34,-0.1 -0.669 76.9 148.9 -92.6 79.9 16.4 18.1 12.2 90 94 A I - 0 0 27 -2,-1.5 2,-0.3 -3,-0.1 22,-0.1 -0.832 54.4 -91.7-121.2 159.0 13.1 16.4 11.9 91 95 A P + 0 0 16 0, 0.0 22,-2.0 0, 0.0 2,-0.4 -0.490 47.2 175.6 -67.2 122.2 11.6 12.9 11.6 92 96 A V E -c 113 0B 53 -2,-0.3 2,-0.3 20,-0.2 22,-0.2 -0.995 9.6-174.2-135.4 133.7 11.2 11.8 8.0 93 97 A L E -c 114 0B 2 20,-2.6 22,-2.2 -2,-0.4 2,-0.2 -0.880 23.7-121.1-120.5 153.8 10.0 8.5 6.5 94 98 A K E > -c 115 0B 68 -2,-0.3 3,-1.8 20,-0.2 -84,-0.3 -0.572 32.4-108.3 -85.3 157.7 9.8 7.2 2.9 95 99 A L T 3 S+ 0 0 44 20,-1.0 -84,-2.5 1,-0.3 -83,-0.3 0.814 119.7 48.4 -53.2 -36.4 6.5 6.1 1.4 96 100 A E T 3 S+ 0 0 104 -86,-0.2 -1,-0.3 -87,-0.2 20,-0.0 0.421 82.1 123.6 -90.8 2.1 7.7 2.5 1.5 97 101 A D < - 0 0 30 -3,-1.8 -87,-2.4 1,-0.1 -86,-0.2 -0.286 65.5-100.6 -62.9 152.0 9.0 2.5 5.1 98 102 A S B > -A 9 0A 46 -89,-0.2 4,-2.1 1,-0.1 -89,-0.2 -0.187 14.4-119.9 -75.3 158.7 7.5 -0.2 7.4 99 103 A F H > S+ 0 0 3 -91,-1.2 4,-3.2 -94,-0.6 5,-0.2 0.925 116.3 57.2 -58.4 -42.5 4.8 0.1 10.0 100 104 A A H > S+ 0 0 67 -95,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 105.9 48.9 -53.5 -44.7 7.4 -1.1 12.6 101 105 A K H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 113.9 45.9 -67.3 -39.0 9.7 1.9 11.7 102 106 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.937 109.4 53.6 -68.9 -49.6 6.8 4.4 12.0 103 107 A L H X S+ 0 0 57 -4,-3.2 4,-0.7 1,-0.2 -2,-0.2 0.935 112.0 46.2 -50.5 -49.9 5.5 3.0 15.2 104 108 A E H >X S+ 0 0 142 -4,-2.1 3,-1.1 -5,-0.2 4,-0.5 0.936 112.2 49.9 -58.6 -49.3 9.0 3.4 16.7 105 109 A M H >X S+ 0 0 46 -4,-2.3 4,-1.3 1,-0.2 3,-0.7 0.866 103.2 61.4 -56.9 -37.3 9.5 6.9 15.3 106 110 A T H 3< S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.684 83.2 79.5 -71.0 -15.7 6.1 8.0 16.7 107 111 A I H << S+ 0 0 106 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.955 115.0 15.5 -53.9 -46.5 7.1 7.4 20.3 108 112 A D H << S+ 0 0 129 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.576 124.3 63.2-103.6 -9.8 9.1 10.7 20.4 109 113 A H < - 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