==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 10-APR-12 4ELG . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR C.R.BOURNE,W.W.BARROW . 1328 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 942 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 208 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 13.9 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 . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 . 195 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 24 0 0 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 13 18 0 8 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 . 8 8 0 0 0 0 16 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 . 8 0 0 0 0 0 8 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 94 0, 0.0 2,-0.6 0, 0.0 91,-0.2 0.000 360.0 360.0 360.0 112.7 20.4 -37.9 -23.2 2 2 A I E -a 92 0A 68 89,-3.6 91,-2.7 108,-0.1 2,-0.7 -0.659 360.0-152.8 -76.8 120.2 18.7 -39.2 -20.1 3 3 A V E -a 93 0A 6 -2,-0.6 107,-3.8 105,-0.4 108,-1.5 -0.859 21.7-175.4 -96.1 113.8 16.3 -36.7 -18.8 4 4 A S E -ab 94 111A 0 89,-2.5 91,-3.9 -2,-0.7 2,-0.5 -0.910 22.2-142.1-117.2 136.8 16.0 -37.3 -15.0 5 5 A F E -ab 95 112A 1 106,-2.7 108,-3.4 -2,-0.4 2,-0.6 -0.823 12.9-163.7 -90.8 131.2 13.8 -35.8 -12.3 6 6 A M E + b 0 113A 4 89,-3.0 2,-0.4 -2,-0.5 108,-0.2 -0.972 24.7 161.7-112.7 119.8 15.5 -35.4 -8.9 7 7 A V E - b 0 114A 3 106,-3.1 108,-4.1 -2,-0.6 2,-0.5 -0.995 33.0-166.0-145.4 142.0 12.9 -34.8 -6.2 8 8 A A E + b 0 115A 15 -2,-0.4 2,-0.3 106,-0.2 108,-0.2 -0.991 31.5 159.3-121.9 122.9 12.4 -34.9 -2.4 9 9 A M E - b 0 116A 9 106,-3.0 108,-3.2 -2,-0.5 6,-0.2 -0.965 32.9-122.4-144.0 159.5 8.8 -34.7 -1.3 10 10 A D > - 0 0 3 4,-1.5 3,-2.4 -2,-0.3 110,-0.2 -0.173 51.5 -77.7 -92.4-169.6 6.5 -35.5 1.6 11 11 A E T 3 S+ 0 0 124 108,-1.8 109,-0.1 106,-0.4 107,-0.1 0.543 134.1 44.1 -73.3 -8.2 3.4 -37.7 1.7 12 12 A N T 3 S- 0 0 90 107,-0.3 -1,-0.3 2,-0.1 108,-0.1 0.047 123.2-103.0-117.4 19.0 1.3 -35.1 0.1 13 13 A R < + 0 0 49 -3,-2.4 114,-2.9 1,-0.2 -2,-0.1 0.568 62.8 164.6 71.7 11.4 4.0 -34.3 -2.5 14 14 A V E +H 126 0B 3 112,-0.2 -4,-1.5 1,-0.2 112,-0.3 -0.388 11.2 166.1 -57.1 131.7 5.1 -31.1 -0.8 15 15 A I E + 0 0 23 110,-2.5 2,-0.3 1,-0.3 111,-0.2 0.394 60.3 20.3-124.6 -6.3 8.5 -29.9 -2.1 16 16 A G E -H 125 0B 5 109,-1.3 108,-2.3 5,-0.1 109,-1.4 -0.995 44.6-164.7-160.1 156.2 8.6 -26.4 -0.7 17 17 A K S S- 0 0 69 3,-2.1 3,-0.1 -2,-0.3 106,-0.1 -0.914 88.7 -20.4-143.0 114.5 7.3 -23.9 1.8 18 18 A D S S- 0 0 30 -2,-0.3 3,-0.1 1,-0.2 105,-0.0 0.890 128.8 -50.6 54.0 44.5 8.0 -20.2 1.2 19 19 A N S S+ 0 0 69 1,-0.2 2,-0.3 32,-0.0 -1,-0.2 0.904 122.9 94.0 59.0 45.3 10.9 -21.1 -1.2 20 20 A N S S- 0 0 56 -3,-0.1 -3,-2.1 31,-0.0 -1,-0.2 -0.969 82.2 -97.7-151.2 164.2 12.5 -23.5 1.3 21 21 A L - 0 0 77 -2,-0.3 -5,-0.1 -5,-0.2 -6,-0.0 -0.736 24.7-146.2 -81.5 137.5 12.6 -27.1 2.3 22 22 A P S S+ 0 0 31 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.627 82.1 54.9 -77.9 -9.7 10.3 -27.8 5.2 23 23 A W S S- 0 0 9 2,-0.1 2,-0.6 98,-0.0 -2,-0.1 -0.831 71.1-142.2-120.6 156.5 12.7 -30.4 6.4 24 24 A R + 0 0 108 -2,-0.3 127,-0.1 4,-0.0 0, 0.0 -0.885 35.3 153.5-118.0 101.9 16.5 -30.5 7.3 25 25 A L > + 0 0 4 -2,-0.6 4,-1.6 124,-0.1 3,-0.4 -0.781 15.2 177.9-130.2 83.6 17.9 -33.8 6.1 26 26 A P H > S+ 0 0 43 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.839 82.5 57.5 -56.6 -38.4 21.6 -33.4 5.4 27 27 A S H > S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.905 103.2 54.3 -61.4 -40.8 22.0 -37.1 4.5 28 28 A E H > S+ 0 0 4 -3,-0.4 4,-2.2 1,-0.2 3,-0.2 0.936 108.7 48.0 -56.4 -48.3 19.3 -36.7 1.8 29 29 A L H X S+ 0 0 89 -4,-1.6 4,-2.8 1,-0.3 -1,-0.2 0.856 107.2 55.9 -64.4 -34.4 21.3 -33.9 0.2 30 30 A Q H X S+ 0 0 127 -4,-2.2 4,-2.5 2,-0.2 -1,-0.3 0.868 106.3 52.1 -62.5 -35.0 24.4 -36.0 0.4 31 31 A Y H X S+ 0 0 24 -4,-1.9 4,-3.3 -3,-0.2 -2,-0.2 0.954 109.6 48.8 -62.6 -48.8 22.5 -38.6 -1.6 32 32 A V H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.908 110.8 50.4 -55.2 -46.1 21.6 -35.9 -4.1 33 33 A K H X S+ 0 0 132 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.952 114.2 43.5 -61.0 -49.1 25.2 -34.8 -4.3 34 34 A K H < S+ 0 0 150 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.910 115.5 49.1 -61.6 -43.8 26.4 -38.4 -4.9 35 35 A T H < S+ 0 0 28 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.898 116.0 40.1 -65.5 -40.2 23.7 -39.2 -7.4 36 36 A T H >< S+ 0 0 1 -4,-2.6 3,-2.0 -5,-0.2 -1,-0.2 0.472 79.8 137.5 -92.4 -3.5 24.1 -36.1 -9.6 37 37 A M T 3< S+ 0 0 117 -4,-0.9 21,-0.1 -3,-0.5 20,-0.1 -0.163 76.6 11.0 -48.4 127.9 27.9 -35.9 -9.6 38 38 A G T 3 S+ 0 0 57 19,-1.0 -1,-0.3 1,-0.2 20,-0.1 0.586 111.7 101.2 81.0 11.3 29.3 -35.1 -13.1 39 39 A H S < S- 0 0 28 -3,-2.0 -1,-0.2 18,-0.1 54,-0.2 -0.967 78.0-101.4-131.9 143.7 25.8 -34.2 -14.4 40 40 A P - 0 0 1 0, 0.0 54,-3.1 0, 0.0 2,-0.5 -0.370 26.6-144.6 -62.1 135.6 24.0 -30.9 -15.0 41 41 A L E -cd 60 94A 2 18,-2.5 20,-2.4 52,-0.2 2,-0.6 -0.922 13.3-158.5 -96.9 125.9 21.4 -29.7 -12.5 42 42 A I E +cd 61 95A 0 52,-4.2 54,-4.3 -2,-0.5 55,-0.6 -0.939 24.5 155.5-108.4 124.1 18.5 -28.0 -14.1 43 43 A M E -cd 62 97A 1 18,-2.3 20,-3.0 -2,-0.6 55,-0.2 -0.989 40.9-108.6-146.8 152.9 16.5 -25.7 -11.9 44 44 A G E > -c 63 0A 8 53,-2.2 4,-2.8 -2,-0.3 20,-0.2 -0.337 40.3-106.2 -72.2 162.6 14.3 -22.6 -12.0 45 45 A R H > S+ 0 0 81 18,-1.0 4,-3.1 1,-0.2 5,-0.2 0.904 119.6 51.4 -55.4 -48.8 15.5 -19.3 -10.7 46 46 A K H > S+ 0 0 97 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.885 110.7 48.8 -58.5 -43.2 13.4 -19.4 -7.5 47 47 A N H > S+ 0 0 47 2,-0.2 4,-1.5 1,-0.2 3,-0.4 0.946 112.2 49.7 -61.6 -48.1 14.8 -22.9 -6.7 48 48 A Y H >X S+ 0 0 20 -4,-2.8 4,-2.4 1,-0.2 3,-0.5 0.940 111.4 47.4 -54.8 -50.6 18.3 -21.6 -7.3 49 49 A E H 3< S+ 0 0 88 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.736 106.0 59.4 -67.1 -20.9 17.8 -18.5 -5.1 50 50 A A H 3< S+ 0 0 37 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.858 110.1 42.0 -72.7 -34.7 16.3 -20.8 -2.4 51 51 A I H << S- 0 0 39 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.802 99.3-154.6 -78.3 -33.5 19.6 -22.7 -2.4 52 52 A G < + 0 0 37 -4,-2.4 -3,-0.1 -5,-0.2 -4,-0.1 0.338 59.7 47.5 81.9 -7.5 21.4 -19.3 -2.6 53 53 A R S S- 0 0 138 -5,-0.4 2,-0.2 20,-0.0 -2,-0.1 -0.985 91.5 -84.1-156.0 161.9 24.6 -20.5 -4.2 54 54 A P - 0 0 44 0, 0.0 20,-0.1 0, 0.0 5,-0.0 -0.551 40.7-126.9 -68.4 134.7 26.0 -22.6 -7.1 55 55 A L > - 0 0 31 -2,-0.2 3,-0.7 -14,-0.1 -14,-0.1 -0.768 35.6-130.5 -82.3 111.4 26.2 -26.3 -6.2 56 56 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.114 82.3 36.8 -69.3 159.8 29.9 -27.1 -7.0 57 57 A G T 3 S+ 0 0 64 1,-0.2 -19,-1.0 -20,-0.1 2,-0.3 0.516 106.7 83.1 79.5 6.4 31.2 -30.0 -9.1 58 58 A R S < S- 0 0 40 -3,-0.7 2,-1.0 -21,-0.1 -1,-0.2 -0.971 87.4-106.5-140.1 151.5 28.1 -29.7 -11.4 59 59 A R - 0 0 66 -2,-0.3 -18,-2.5 -20,-0.1 2,-0.6 -0.726 38.8-155.0 -74.0 107.6 26.9 -27.7 -14.3 60 60 A N E -c 41 0A 5 -2,-1.0 15,-3.1 13,-0.4 2,-0.5 -0.791 13.8-175.6 -87.2 122.0 24.4 -25.4 -12.7 61 61 A I E -ce 42 75A 0 -20,-2.4 -18,-2.3 -2,-0.6 2,-0.5 -0.958 9.2-158.1-124.7 114.0 21.8 -24.4 -15.3 62 62 A I E -ce 43 76A 1 13,-3.7 15,-3.0 -2,-0.5 2,-0.7 -0.785 6.8-149.4 -94.2 129.1 19.1 -21.9 -14.2 63 63 A V E +ce 44 77A 11 -20,-3.0 -18,-1.0 -2,-0.5 2,-0.3 -0.855 32.5 146.3-101.6 113.7 15.9 -21.8 -16.3 64 64 A T - 0 0 18 13,-2.1 5,-0.1 -2,-0.7 -2,-0.0 -0.999 52.3-135.4-142.9 147.5 14.2 -18.4 -16.5 65 65 A R S S+ 0 0 230 -2,-0.3 2,-0.7 2,-0.0 13,-0.1 0.721 80.5 104.0 -64.8 -22.0 12.2 -16.4 -19.0 66 66 A N > - 0 0 82 1,-0.1 3,-1.6 2,-0.1 -2,-0.1 -0.514 61.4-157.4 -71.8 109.1 14.3 -13.4 -18.1 67 67 A E T 3 S+ 0 0 136 -2,-0.7 -1,-0.1 1,-0.3 9,-0.1 0.726 86.6 43.6 -62.6 -27.5 16.8 -12.8 -21.0 68 68 A G T 3 S+ 0 0 54 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.128 78.5 127.1-108.3 23.0 19.4 -10.8 -19.0 69 69 A Y < + 0 0 38 -3,-1.6 2,-0.3 -5,-0.1 -5,-0.1 -0.675 31.3 163.9 -78.8 126.6 19.5 -12.9 -15.8 70 70 A H - 0 0 154 -2,-0.5 2,-0.4 5,-0.0 5,-0.1 -0.996 19.3-178.5-140.5 138.6 23.0 -13.9 -15.0 71 71 A V > - 0 0 30 -2,-0.3 3,-1.3 3,-0.3 -9,-0.1 -0.990 37.8-106.7-128.2 145.6 24.8 -15.3 -11.9 72 72 A E T 3 S+ 0 0 190 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.386 104.0 23.1 -64.6 141.3 28.5 -16.0 -11.8 73 73 A G T 3 S+ 0 0 66 1,-0.2 -13,-0.4 -2,-0.1 2,-0.3 0.614 111.8 86.6 77.5 12.9 29.3 -19.7 -11.8 74 74 A C < - 0 0 25 -3,-1.3 2,-0.4 -15,-0.1 -3,-0.3 -0.964 68.6-129.7-139.8 157.6 26.0 -20.7 -13.4 75 75 A E E -e 61 0A 62 -15,-3.1 -13,-3.7 -2,-0.3 2,-0.5 -0.860 20.1-145.4-105.6 144.4 24.5 -21.1 -16.9 76 76 A V E -e 62 0A 23 -2,-0.4 2,-0.4 -15,-0.2 -13,-0.2 -0.932 16.2-178.6-114.3 127.2 21.2 -19.5 -17.8 77 77 A A E -e 63 0A 0 -15,-3.0 -13,-2.1 -2,-0.5 3,-0.1 -0.934 15.5-161.7-123.2 146.6 18.7 -21.1 -20.2 78 78 A H S S+ 0 0 37 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.1 0.346 70.3 13.6-113.6 7.4 15.4 -19.5 -21.2 79 79 A S S > S- 0 0 38 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.977 78.0-100.4-167.5 165.5 13.5 -22.6 -22.6 80 80 A V H > S+ 0 0 21 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.936 122.3 54.3 -59.4 -47.6 13.5 -26.3 -22.7 81 81 A E H > S+ 0 0 159 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 107.7 50.2 -54.3 -41.7 15.0 -26.2 -26.2 82 82 A E H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.877 109.0 51.9 -67.0 -38.5 17.8 -24.0 -24.9 83 83 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.930 110.0 48.0 -60.7 -45.8 18.5 -26.5 -22.1 84 84 A F H < S+ 0 0 47 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.872 112.2 49.6 -67.0 -35.6 18.7 -29.4 -24.6 85 85 A E H >< S+ 0 0 112 -4,-2.1 3,-1.3 -5,-0.2 -1,-0.2 0.926 111.5 48.6 -64.9 -46.1 21.1 -27.4 -26.8 86 86 A L H 3< S+ 0 0 52 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.880 120.2 38.0 -59.6 -38.2 23.3 -26.5 -23.8 87 87 A C T >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.2 -1,-0.3 0.094 76.7 128.6-102.2 22.8 23.3 -30.1 -22.7 88 88 A K T < S+ 0 0 122 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.781 79.9 39.7 -53.4 -32.4 23.5 -31.7 -26.2 89 89 A N T 3 S+ 0 0 148 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.2 0.454 91.0 114.5 -96.5 1.1 26.5 -33.8 -25.3 90 90 A E < - 0 0 44 -3,-2.3 3,-0.1 -6,-0.2 -51,-0.1 -0.490 53.7-156.3 -75.1 135.7 25.3 -34.7 -21.8 91 91 A E S S+ 0 0 143 1,-0.3 -89,-3.6 -2,-0.2 2,-0.3 0.839 81.2 7.8 -76.7 -32.5 24.5 -38.4 -21.1 92 92 A E E -a 2 0A 20 -91,-0.2 2,-0.3 -56,-0.1 -1,-0.3 -0.994 63.3-168.2-149.6 138.6 22.1 -37.5 -18.2 93 93 A I E -a 3 0A 0 -91,-2.7 -89,-2.5 -2,-0.3 2,-0.6 -0.948 17.4-135.2-125.3 152.9 20.7 -34.2 -16.8 94 94 A F E -ad 4 41A 0 -54,-3.1 -52,-4.2 -2,-0.3 2,-0.8 -0.916 4.5-147.1-114.8 117.5 18.8 -33.7 -13.5 95 95 A I E -ad 5 42A 0 -91,-3.9 -89,-3.0 -2,-0.6 -52,-0.2 -0.750 19.2-172.5 -78.8 115.1 15.7 -31.6 -13.4 96 96 A F E - 0 0 30 -54,-4.3 -53,-0.2 -2,-0.8 2,-0.2 0.433 38.6-102.8 -99.3 -5.5 16.1 -30.2 -9.9 97 97 A G E + d 0 43A 1 -55,-0.6 -53,-2.2 1,-0.2 -1,-0.3 -0.469 55.3 164.5 111.2-169.4 12.8 -28.5 -9.5 98 98 A G > - 0 0 18 -55,-0.2 4,-2.8 -2,-0.2 -1,-0.2 0.182 55.0-121.0 94.6 107.4 10.7 -25.7 -9.5 99 99 A A H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.918 119.7 50.7 -41.4 -50.1 7.3 -27.5 -9.7 100 100 A Q H > S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.865 106.7 53.9 -60.0 -37.8 6.9 -25.4 -12.9 101 101 A I H > S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.929 105.7 52.5 -65.8 -43.8 10.3 -26.6 -14.1 102 102 A Y H X S+ 0 0 8 -4,-2.8 4,-1.1 1,-0.2 3,-0.2 0.907 107.7 52.5 -53.9 -43.6 9.2 -30.3 -13.6 103 103 A D H < S+ 0 0 84 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.905 104.9 56.1 -63.2 -37.7 6.2 -29.5 -15.7 104 104 A L H < S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.864 115.1 36.1 -58.8 -38.0 8.4 -28.1 -18.5 105 105 A F H >X S+ 0 0 0 -4,-1.6 3,-2.1 -3,-0.2 4,-1.2 0.468 88.0 102.6-101.2 -0.8 10.5 -31.3 -18.8 106 106 A L T 3< S+ 0 0 67 -4,-1.1 3,-0.3 -3,-0.4 -1,-0.2 0.828 77.0 54.5 -47.3 -42.5 7.6 -33.7 -18.1 107 107 A P T 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.636 117.1 38.9 -75.0 -1.7 7.2 -34.7 -21.8 108 108 A Y T <4 S+ 0 0 108 -3,-2.1 -105,-0.4 -106,-0.0 -2,-0.2 0.547 81.2 123.5-118.6 -15.0 10.9 -35.7 -21.9 109 109 A V < + 0 0 4 -4,-1.2 -105,-0.2 -3,-0.3 3,-0.1 -0.243 25.1 171.6 -61.3 135.9 11.6 -37.3 -18.5 110 110 A D + 0 0 64 -107,-3.8 50,-0.7 1,-0.3 2,-0.3 0.506 64.5 33.8-114.6 -14.8 13.1 -40.9 -18.7 111 111 A K E -bF 4 159A 39 -108,-1.5 -106,-2.7 48,-0.2 2,-0.5 -0.999 61.2-151.1-152.5 138.0 14.0 -41.5 -15.1 112 112 A L E -bF 5 158A 0 46,-2.6 46,-2.6 -2,-0.3 2,-0.8 -0.947 6.8-174.6-120.5 116.7 12.6 -40.5 -11.6 113 113 A Y E +bF 6 157A 19 -108,-3.4 -106,-3.1 -2,-0.5 2,-0.6 -0.893 23.5 175.9-104.7 98.4 14.8 -40.1 -8.6 114 114 A I E -bF 7 156A 1 42,-2.7 42,-2.3 -2,-0.8 2,-0.6 -0.928 22.8-160.0-114.3 120.4 12.2 -39.5 -5.9 115 115 A T E -bF 8 155A 0 -108,-4.1 -106,-3.0 -2,-0.6 2,-0.6 -0.867 15.2-158.0 -92.2 124.2 12.9 -39.2 -2.2 116 116 A K E -bF 9 154A 68 38,-3.2 38,-2.0 -2,-0.6 2,-0.5 -0.907 1.0-157.8-110.3 115.2 9.7 -39.9 -0.3 117 117 A I E - 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