==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-SEP-13 4C73 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS H37RV; . AUTHOR J.SCHIEBEL,K.KAPILASHRAMI,A.FEKETE,G.R.BOMMINENI,C.M.SCHAEFE . 828 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 576 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 11.8 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 1 0.1 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 . 50 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.7 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 3 3 2 2 2 2 2 0 0 2 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 4 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 PARALLEL BRIDGES PER LADDER . 3 6 0 0 0 2 0 4 2 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 . 4 0 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 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 Q 0 0 203 0, 0.0 7,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 99.7 12.9 2.2 19.6 2 4 A P + 0 0 67 0, 0.0 2,-0.3 0, 0.0 295,-0.1 -0.293 360.0 156.6 -67.3 130.6 14.2 -1.2 20.8 3 5 A S > - 0 0 11 293,-0.1 6,-1.4 1,-0.1 5,-1.4 -0.893 51.4-113.7-130.3 170.8 15.1 -3.8 18.2 4 6 A T T > 5S+ 0 0 22 291,-2.4 3,-1.7 260,-0.4 293,-0.2 0.955 116.2 53.5 -65.9 -46.9 17.5 -6.9 18.3 5 7 A A T 3 5S+ 0 0 78 291,-1.8 -1,-0.2 1,-0.3 292,-0.1 0.838 110.4 47.1 -58.1 -37.1 19.9 -5.3 15.8 6 8 A N T 3 5S- 0 0 99 -5,-0.1 -1,-0.3 1,-0.0 -2,-0.2 0.367 114.8-111.9 -93.3 9.5 20.2 -2.1 18.0 7 9 A G T < 5S+ 0 0 61 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.471 84.4 121.5 79.7 7.4 20.8 -3.9 21.3 8 10 A G S > S- 0 0 78 1,-0.1 4,-2.5 -8,-0.1 3,-0.7 -0.913 73.0-152.2-104.5 114.3 14.8 -38.1 14.4 27 29 A I H 3> S+ 0 0 13 -2,-0.6 4,-2.6 1,-0.3 5,-0.2 0.858 96.8 54.0 -56.4 -40.0 14.7 -34.4 13.2 28 30 A E H 3> S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.836 111.5 46.9 -62.0 -35.1 18.2 -34.7 11.4 29 31 A S H <> S+ 0 0 53 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.850 110.3 51.3 -73.8 -40.9 16.8 -37.7 9.5 30 32 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.929 111.2 50.1 -52.5 -46.4 13.5 -35.9 8.7 31 33 A W H X S+ 0 0 3 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.944 110.6 47.3 -66.3 -41.7 15.7 -33.1 7.4 32 34 A K H X S+ 0 0 145 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.922 112.6 51.4 -64.3 -37.5 17.8 -35.4 5.2 33 35 A G H <>S+ 0 0 3 -4,-2.4 5,-2.9 1,-0.2 4,-0.3 0.912 108.8 49.7 -62.0 -49.6 14.6 -37.1 3.9 34 36 A L H ><5S+ 0 0 2 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.921 109.0 51.4 -56.9 -50.4 13.1 -33.7 2.9 35 37 A L H 3<5S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.814 108.3 53.9 -57.6 -30.4 16.3 -32.6 1.1 36 38 A A T 3<5S- 0 0 75 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.484 123.3-106.4 -81.7 1.7 16.1 -36.0 -0.8 37 39 A G T < 5 + 0 0 33 -3,-1.9 -3,-0.2 -4,-0.3 2,-0.2 0.677 63.7 159.2 83.8 17.7 12.5 -35.3 -1.9 38 40 A E < - 0 0 99 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.2 -0.502 26.8-152.4 -75.4 148.0 10.8 -37.8 0.5 39 41 A S - 0 0 26 -2,-0.2 302,-0.2 2,-0.1 301,-0.1 -0.922 12.3-155.8-113.2 144.0 7.2 -37.4 1.4 40 42 A G + 0 0 0 300,-3.0 2,-0.4 -2,-0.4 21,-0.1 0.329 64.1 106.3 -92.4 8.3 5.6 -38.7 4.7 41 43 A I + 0 0 2 299,-0.3 19,-0.2 19,-0.1 2,-0.2 -0.762 41.7 153.7 -98.5 132.7 2.1 -39.0 3.2 42 44 A H E -K 59 0B 105 17,-2.2 17,-2.2 -2,-0.4 2,-0.2 -0.821 52.1 -68.2-140.6 171.3 0.6 -42.4 2.4 43 45 A A E -K 58 0B 48 -2,-0.2 2,-0.4 15,-0.2 15,-0.3 -0.490 57.9-116.5 -54.7 134.5 -2.6 -44.3 2.0 44 46 A L - 0 0 13 13,-2.5 -1,-0.1 -2,-0.2 16,-0.0 -0.683 28.3-172.2 -77.2 129.0 -4.2 -44.5 5.5 45 47 A E + 0 0 171 -2,-0.4 -1,-0.1 4,-0.0 5,-0.1 0.446 39.9 129.1-103.8 3.1 -4.5 -48.2 6.6 46 48 A D >> - 0 0 47 1,-0.1 3,-1.6 2,-0.1 4,-0.8 -0.250 63.5-132.5 -58.2 141.6 -6.5 -47.5 9.7 47 49 A E H >> S+ 0 0 141 1,-0.3 4,-2.8 2,-0.2 3,-0.5 0.810 102.9 70.4 -65.6 -24.8 -9.7 -49.5 10.1 48 50 A F H 3> S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.817 91.1 61.5 -61.8 -26.8 -11.6 -46.3 10.9 49 51 A V H <4>S+ 0 0 6 -3,-1.6 5,-1.6 1,-0.2 4,-0.3 0.925 112.3 34.5 -66.3 -43.2 -11.2 -45.3 7.3 50 52 A T H X<5S+ 0 0 91 -4,-0.8 3,-0.6 -3,-0.5 -2,-0.2 0.873 112.6 61.0 -81.3 -30.8 -13.1 -48.3 6.0 51 53 A K H 3<5S+ 0 0 140 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.932 121.7 24.1 -58.8 -44.2 -15.5 -48.4 9.0 52 54 A W T 3<5S- 0 0 52 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.318 100.2-130.2-100.4 -0.3 -16.8 -44.9 8.1 53 55 A D T < 5 - 0 0 121 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.884 34.8-155.8 41.5 60.9 -15.9 -45.0 4.4 54 56 A L < - 0 0 3 -5,-1.6 -1,-0.2 -6,-0.3 152,-0.0 -0.266 21.6-136.3 -67.1 142.8 -14.2 -41.6 4.7 55 57 A A S S+ 0 0 67 -3,-0.1 2,-0.5 1,-0.1 163,-0.2 0.862 96.5 64.8 -63.3 -32.3 -13.9 -39.4 1.6 56 58 A V + 0 0 2 1,-0.1 -2,-0.1 161,-0.1 160,-0.1 -0.794 55.5 163.9 -96.9 125.1 -10.3 -38.7 2.8 57 59 A K + 0 0 65 -2,-0.5 -13,-2.5 -4,-0.1 2,-0.3 0.041 50.3 77.5-129.6 24.9 -8.1 -41.8 2.8 58 60 A I E +K 43 0B 1 -15,-0.3 179,-0.4 157,-0.2 2,-0.3 -0.920 43.3 118.6-135.1 156.5 -4.6 -40.3 2.9 59 61 A G E -K 42 0B 2 -17,-2.2 -17,-2.2 -2,-0.3 2,-0.6 -0.870 54.8 -96.1 163.9 171.4 -2.3 -38.8 5.6 60 62 A G B -l 238 0C 0 177,-2.1 179,-3.5 -2,-0.3 2,-0.2 -0.928 30.0-164.7-117.5 106.8 1.0 -39.2 7.3 61 63 A H - 0 0 65 -2,-0.6 -2,-0.1 177,-0.2 -40,-0.0 -0.502 46.6 -79.8 -71.4 153.6 1.0 -41.0 10.7 62 64 A L - 0 0 13 -2,-0.2 -40,-0.3 1,-0.1 -1,-0.2 -0.295 33.8-131.2 -51.0 138.6 4.2 -40.6 12.7 63 65 A K S S+ 0 0 145 -42,-2.3 -1,-0.1 1,-0.2 -41,-0.1 0.896 102.9 31.0 -55.4 -42.7 7.0 -42.8 11.5 64 66 A D S S- 0 0 45 -43,-0.4 -1,-0.2 -40,-0.0 -40,-0.1 -0.951 96.9-127.8-125.2 102.6 7.6 -43.9 15.1 65 67 A P > - 0 0 75 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.270 9.6-130.8 -58.7 137.0 4.4 -43.8 17.2 66 68 A V G > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.1 4,-0.0 0.910 102.6 60.4 -49.8 -46.5 4.6 -41.9 20.5 67 69 A D G > S+ 0 0 56 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.641 85.6 73.4 -71.4 -3.4 3.1 -44.7 22.5 68 70 A S G < S+ 0 0 73 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.587 102.6 46.4 -81.3 -7.2 5.8 -47.2 21.7 69 71 A H G < S+ 0 0 88 -3,-2.3 2,-0.4 -4,-0.2 -1,-0.3 0.232 95.5 94.3-107.3 9.1 7.9 -45.0 24.1 70 72 A M < - 0 0 26 -3,-1.2 2,-0.1 -4,-0.0 13,-0.0 -0.849 64.5-138.1-110.4 138.9 5.3 -44.8 26.9 71 73 A G > - 0 0 40 -2,-0.4 4,-1.8 1,-0.1 -2,-0.1 -0.267 36.7 -88.8 -86.7 180.0 5.1 -47.0 30.0 72 74 A R H > S+ 0 0 211 1,-0.2 4,-0.6 2,-0.2 5,-0.1 0.861 125.2 45.0 -60.0 -42.8 2.0 -48.5 31.6 73 75 A L H >> S+ 0 0 100 1,-0.2 4,-1.1 2,-0.2 3,-1.0 0.914 108.2 56.6 -74.8 -34.3 1.3 -45.6 34.0 74 76 A D H 3> S+ 0 0 34 1,-0.3 4,-1.2 2,-0.2 3,-0.4 0.857 104.4 54.6 -58.7 -42.0 1.9 -42.9 31.3 75 77 A M H 3< S+ 0 0 59 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.732 115.3 38.6 -64.4 -26.8 -0.8 -44.5 29.1 76 78 A R H << S+ 0 0 165 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.474 120.5 42.7-105.6 0.2 -3.3 -44.3 32.0 77 79 A R H < S+ 0 0 142 -4,-1.1 2,-0.3 -3,-0.4 -2,-0.2 0.456 107.8 49.8-124.7 -2.8 -2.4 -40.9 33.4 78 80 A M S < S- 0 0 15 -4,-1.2 -1,-0.1 -5,-0.2 64,-0.1 -0.978 73.4-121.6-132.7 152.3 -1.8 -38.6 30.5 79 81 A S > - 0 0 1 -2,-0.3 4,-2.4 63,-0.2 5,-0.2 -0.292 44.5 -96.1 -79.2 170.1 -3.7 -37.7 27.4 80 82 A Y H > S+ 0 0 22 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.945 125.1 51.3 -61.4 -44.4 -2.0 -38.2 24.0 81 83 A V H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 109.8 52.5 -64.3 -27.4 -0.7 -34.7 23.7 82 84 A Q H > S+ 0 0 3 2,-0.2 4,-2.8 60,-0.2 -1,-0.2 0.907 108.8 48.3 -70.4 -39.3 0.8 -35.0 27.2 83 85 A R H X S+ 0 0 16 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.939 112.4 49.1 -67.1 -40.6 2.6 -38.2 26.3 84 86 A M H X S+ 0 0 2 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.923 111.4 51.0 -62.2 -45.8 3.9 -36.5 23.1 85 87 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.936 110.4 47.0 -53.3 -50.0 5.0 -33.5 25.3 86 88 A K H X S+ 0 0 79 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.908 113.0 50.3 -58.1 -46.6 6.8 -35.7 27.8 87 89 A L H X S+ 0 0 26 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.984 116.7 39.1 -59.0 -50.9 8.6 -37.6 25.0 88 90 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.849 111.3 58.6 -68.1 -38.3 9.8 -34.5 23.1 89 91 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.936 109.3 44.6 -59.1 -42.6 10.6 -32.6 26.3 90 92 A G H X S+ 0 0 28 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.867 113.2 50.2 -70.3 -39.9 13.1 -35.3 27.4 91 93 A Q H X S+ 0 0 56 -4,-1.8 4,-2.9 -5,-0.2 -2,-0.2 0.916 111.2 49.6 -60.2 -46.7 14.6 -35.7 23.9 92 94 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.932 110.5 49.2 -58.1 -50.4 15.2 -31.9 23.7 93 95 A W H <>S+ 0 0 32 -4,-2.2 5,-2.9 1,-0.2 -1,-0.2 0.906 112.8 47.7 -58.9 -43.7 16.8 -31.7 27.1 94 96 A E H ><5S+ 0 0 147 -4,-2.0 3,-2.2 1,-0.2 -1,-0.2 0.949 110.0 52.0 -62.5 -49.0 19.1 -34.6 26.3 95 97 A S H 3<5S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.801 105.7 56.7 -52.9 -34.9 20.0 -33.0 22.9 96 98 A A T 3<5S- 0 0 11 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.316 126.9-100.5 -75.1 -2.9 20.8 -29.8 24.8 97 99 A G T < 5 - 0 0 60 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.697 55.8 -84.7 89.4 15.4 23.4 -31.6 27.0 98 100 A S < - 0 0 72 -5,-2.9 -1,-0.2 -6,-0.2 -4,-0.1 0.912 64.3-157.0 50.8 52.8 21.0 -31.9 30.0 99 101 A P - 0 0 18 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.208 17.0-131.8 -65.1 147.6 21.9 -28.5 31.3 100 102 A E + 0 0 204 2,-0.0 2,-0.2 3,-0.0 -2,-0.0 -0.905 41.2 175.3 -94.1 107.7 21.4 -27.5 34.9 101 103 A V - 0 0 29 -2,-0.8 5,-0.1 5,-0.0 3,-0.1 -0.689 43.0 -90.9-110.6 167.8 19.7 -24.2 34.6 102 104 A D > - 0 0 85 -2,-0.2 3,-2.2 1,-0.2 87,-0.2 -0.707 34.1-150.9 -77.3 115.1 18.2 -21.8 37.2 103 105 A P G > S+ 0 0 45 0, 0.0 56,-2.6 0, 0.0 3,-1.6 0.852 94.0 61.8 -57.3 -32.4 14.5 -23.1 37.4 104 106 A D G 3 S+ 0 0 60 1,-0.3 54,-0.1 55,-0.2 -2,-0.1 0.545 108.5 41.1 -73.5 -4.1 13.4 -19.6 38.4 105 107 A R G < S+ 0 0 64 -3,-2.2 84,-2.8 83,-0.1 85,-1.4 0.066 97.4 97.4-121.8 14.5 14.7 -18.2 35.0 106 108 A F E < -c 190 0A 0 -3,-1.6 54,-2.7 82,-0.2 53,-0.3 -0.960 50.6-178.6-115.9 118.0 13.4 -21.2 33.0 107 109 A A E -c 191 0A 0 83,-2.3 85,-2.0 -2,-0.5 2,-0.4 -0.742 15.6-151.3-110.1 159.8 9.9 -20.9 31.1 108 110 A V E +cd 192 162A 0 53,-2.4 55,-2.7 -2,-0.3 2,-0.4 -0.992 12.5 178.3-126.9 131.8 7.9 -23.3 29.0 109 111 A V E +cd 193 163A 0 83,-2.6 85,-1.7 -2,-0.4 2,-0.4 -0.916 11.8 165.3-132.4 111.5 5.5 -22.2 26.2 110 112 A V E -c 194 0A 1 53,-2.2 39,-0.3 -2,-0.4 85,-0.2 -0.963 16.7-158.8-132.9 123.9 3.8 -24.9 24.3 111 113 A G E +c 195 0A 0 83,-2.5 85,-1.9 -2,-0.4 2,-0.3 -0.454 11.8 174.4 -94.3 158.3 0.8 -24.5 22.0 112 114 A T - 0 0 1 53,-0.5 56,-0.3 83,-0.2 55,-0.2 -0.958 34.6-124.4-155.7 159.5 -1.7 -27.1 20.9 113 115 A G S S- 0 0 8 83,-0.5 448,-0.2 -2,-0.3 55,-0.2 0.863 94.0 -16.7 -73.9 -38.3 -4.9 -27.0 18.8 114 116 A L S S- 0 0 44 445,-0.1 2,-0.3 1,-0.1 83,-0.1 0.609 81.7-135.8-140.3 -46.3 -7.3 -28.6 21.3 115 117 A G - 0 0 9 81,-0.1 2,-2.1 30,-0.1 3,-0.3 -0.844 65.6 -12.4 109.3-154.3 -5.8 -30.6 24.2 116 118 A G S >> S+ 0 0 1 27,-1.0 3,-1.5 -2,-0.3 4,-0.7 -0.281 73.6 151.9 -83.5 53.2 -6.6 -34.1 25.6 117 119 A A H 3> + 0 0 18 -2,-2.1 4,-1.8 1,-0.3 3,-0.4 0.736 61.8 66.0 -62.5 -24.9 -10.0 -34.3 23.8 118 120 A E H 3> S+ 0 0 71 -3,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.813 98.8 55.5 -64.5 -30.6 -10.0 -38.1 23.6 119 121 A R H <> S+ 0 0 25 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.733 101.9 57.4 -71.7 -29.1 -10.3 -38.1 27.4 120 122 A I H X S+ 0 0 11 -4,-0.7 4,-2.3 -3,-0.4 -2,-0.2 0.952 111.0 41.2 -58.2 -52.9 -13.4 -35.9 27.1 121 123 A V H X S+ 0 0 26 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.905 115.3 52.1 -66.6 -38.2 -15.1 -38.5 25.0 122 124 A E H X S+ 0 0 83 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.930 111.1 46.4 -59.8 -47.0 -13.8 -41.3 27.2 123 125 A S H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.899 111.8 52.2 -65.3 -36.7 -15.1 -39.6 30.4 124 126 A Y H X S+ 0 0 52 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.950 112.8 43.5 -61.1 -51.7 -18.5 -38.9 28.7 125 127 A D H X S+ 0 0 65 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.908 113.5 52.1 -60.2 -44.4 -18.9 -42.6 27.6 126 128 A L H X S+ 0 0 66 -4,-2.6 4,-1.7 -5,-0.2 5,-0.3 0.915 113.0 43.9 -61.3 -45.5 -17.8 -43.8 31.1 127 129 A M H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.896 112.2 52.0 -68.6 -40.6 -20.3 -41.6 32.9 128 130 A N H < S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.889 117.1 40.5 -63.0 -34.9 -23.2 -42.4 30.5 129 131 A A H < S+ 0 0 93 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.759 138.0 5.7 -82.1 -28.0 -22.5 -46.1 31.0 130 132 A G H < S- 0 0 42 -4,-1.7 3,-0.2 -5,-0.2 -3,-0.2 0.403 101.6-106.7-147.7 4.7 -21.8 -46.2 34.8 131 133 A G >< - 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