==== 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 4ELE . 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) . 70531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 932 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 207 15.6 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 . 188 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 1 23 0 0 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 14 16 0 6 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 . 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 98 0, 0.0 2,-0.7 0, 0.0 91,-0.2 0.000 360.0 360.0 360.0 130.2 20.8 -38.2 -23.5 2 2 A I E -a 92 0A 66 89,-2.7 91,-2.7 108,-0.1 2,-0.7 -0.714 360.0-158.2 -80.9 115.2 19.3 -39.4 -20.3 3 3 A V E -a 93 0A 4 -2,-0.7 107,-3.4 105,-0.4 108,-1.7 -0.874 19.5-177.7 -94.1 115.3 16.9 -36.8 -18.9 4 4 A S E -ab 94 111A 0 89,-2.5 91,-3.2 -2,-0.7 2,-0.5 -0.926 23.8-141.0-119.4 136.0 16.5 -37.5 -15.2 5 5 A F E -ab 95 112A 1 106,-2.4 108,-3.0 -2,-0.4 2,-0.5 -0.809 14.4-163.4 -86.7 130.0 14.3 -35.8 -12.4 6 6 A M E + b 0 113A 3 89,-3.0 2,-0.3 -2,-0.5 108,-0.2 -0.961 26.2 156.1-112.3 120.2 16.1 -35.5 -9.1 7 7 A V E - b 0 114A 5 106,-2.4 108,-3.8 -2,-0.5 2,-0.4 -0.996 36.2-160.8-149.4 145.5 13.6 -34.8 -6.3 8 8 A A E + b 0 115A 19 -2,-0.3 2,-0.3 106,-0.2 108,-0.2 -0.996 30.5 163.2-120.0 128.5 12.9 -35.0 -2.6 9 9 A M E - b 0 116A 9 106,-3.0 108,-3.0 -2,-0.4 6,-0.2 -0.969 30.3-121.1-146.2 159.9 9.3 -34.8 -1.4 10 10 A D > - 0 0 3 4,-1.4 3,-2.4 -2,-0.3 110,-0.2 -0.177 51.7 -77.7 -92.7-171.1 7.0 -35.6 1.5 11 11 A E T 3 S+ 0 0 129 108,-2.5 109,-0.1 106,-0.4 107,-0.1 0.747 135.0 42.7 -64.6 -19.5 3.9 -37.8 1.7 12 12 A N T 3 S- 0 0 87 107,-0.4 -1,-0.3 109,-0.1 108,-0.1 0.205 122.3-102.4-107.2 16.5 1.9 -35.1 -0.0 13 13 A R < + 0 0 48 -3,-2.4 114,-3.3 1,-0.2 -2,-0.1 0.607 63.5 163.1 72.4 15.9 4.5 -34.3 -2.7 14 14 A V E +H 126 0B 4 112,-0.2 -4,-1.4 1,-0.1 112,-0.3 -0.430 11.9 167.2 -59.1 134.5 5.6 -31.1 -0.9 15 15 A I E + 0 0 23 110,-2.4 2,-0.3 1,-0.3 111,-0.2 0.352 59.1 27.1-128.2 1.3 9.0 -29.9 -2.2 16 16 A G E -H 125 0B 3 109,-1.0 108,-3.1 5,-0.1 109,-1.5 -0.958 44.5-165.1-167.2 142.5 9.1 -26.4 -0.8 17 17 A K S S- 0 0 74 3,-2.4 106,-0.1 -2,-0.3 105,-0.0 -0.928 92.2 -24.6-131.5 106.8 8.0 -24.0 1.9 18 18 A D S S- 0 0 28 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.942 127.6 -51.6 55.7 53.2 8.6 -20.3 1.1 19 19 A N S S+ 0 0 63 1,-0.2 2,-0.3 32,-0.0 -1,-0.2 0.933 120.9 101.3 38.5 62.9 11.3 -21.4 -1.2 20 20 A N S S- 0 0 65 31,-0.0 -3,-2.4 0, 0.0 -1,-0.2 -0.982 81.2 -96.8-159.9 157.7 13.1 -23.6 1.4 21 21 A L - 0 0 86 -2,-0.3 -5,-0.1 -5,-0.2 -6,-0.0 -0.715 24.6-153.0 -80.6 116.6 13.4 -27.2 2.4 22 22 A P S S+ 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.738 81.7 50.3 -60.7 -21.7 10.9 -27.9 5.2 23 23 A W S S- 0 0 10 2,-0.0 2,-0.5 98,-0.0 -2,-0.1 -0.754 72.2-143.7-114.1 161.6 13.3 -30.6 6.4 24 24 A R + 0 0 122 -2,-0.3 127,-0.1 124,-0.0 398,-0.0 -0.890 31.6 156.9-125.1 99.9 17.0 -30.7 7.1 25 25 A L >> - 0 0 5 -2,-0.5 4,-1.6 124,-0.1 3,-1.1 -0.735 14.6-179.3-123.5 82.5 18.5 -34.1 6.0 26 26 A P H 3> S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.827 83.9 57.1 -48.2 -38.8 22.2 -33.7 5.4 27 27 A S H 3> S+ 0 0 30 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.854 102.6 54.2 -65.3 -35.2 22.5 -37.4 4.4 28 28 A E H <> S+ 0 0 5 -3,-1.1 4,-2.2 2,-0.2 3,-0.3 0.934 108.2 49.2 -63.3 -46.3 19.9 -36.9 1.7 29 29 A L H X S+ 0 0 83 -4,-1.6 4,-3.3 1,-0.2 5,-0.2 0.925 105.7 56.2 -59.9 -43.6 21.9 -34.1 0.2 30 30 A Q H X S+ 0 0 118 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.827 107.0 52.3 -55.8 -31.4 25.1 -36.3 0.3 31 31 A Y H X S+ 0 0 33 -4,-1.4 4,-3.2 -3,-0.3 5,-0.3 0.951 109.1 47.5 -67.8 -49.3 23.0 -38.7 -1.8 32 32 A V H X S+ 0 0 10 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.925 112.8 49.5 -55.9 -46.7 22.2 -35.9 -4.3 33 33 A K H X S+ 0 0 92 -4,-3.3 4,-0.7 2,-0.2 -1,-0.2 0.926 114.6 44.8 -57.3 -46.2 25.9 -34.9 -4.4 34 34 A K H >< S+ 0 0 166 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.944 114.2 47.4 -64.3 -50.6 27.0 -38.5 -5.0 35 35 A T H 3< S+ 0 0 33 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.811 117.8 41.2 -63.0 -33.4 24.3 -39.3 -7.6 36 36 A T H >< S+ 0 0 0 -4,-2.2 3,-1.9 -5,-0.3 -1,-0.2 0.365 76.5 137.2-103.3 4.6 24.9 -36.2 -9.7 37 37 A M T << S+ 0 0 100 -3,-0.9 21,-0.2 -4,-0.7 20,-0.1 -0.321 79.5 9.7 -49.7 121.3 28.7 -36.0 -9.6 38 38 A G T 3 S+ 0 0 55 19,-1.9 -1,-0.3 1,-0.2 20,-0.2 0.659 109.3 99.3 80.1 17.5 29.9 -35.0 -13.1 39 39 A H S < S- 0 0 28 -3,-1.9 -1,-0.2 18,-0.3 54,-0.2 -0.947 79.2 -92.9-130.3 155.2 26.5 -34.2 -14.6 40 40 A P - 0 0 0 0, 0.0 54,-2.4 0, 0.0 2,-0.6 -0.429 30.7-146.9 -64.2 138.2 24.6 -31.0 -15.3 41 41 A L E -cd 60 94A 0 18,-2.7 20,-2.5 52,-0.2 2,-0.6 -0.948 13.2-156.3-104.2 119.5 22.2 -29.8 -12.6 42 42 A I E +cd 61 95A 0 52,-3.4 54,-4.1 -2,-0.6 55,-0.6 -0.865 23.9 158.7-103.6 122.6 19.2 -28.1 -14.2 43 43 A M E -cd 62 97A 0 18,-2.4 20,-3.2 -2,-0.6 55,-0.2 -0.981 39.5-112.7-143.9 155.3 17.3 -25.6 -12.0 44 44 A G E > -c 63 0A 8 53,-1.7 4,-3.0 -2,-0.3 5,-0.2 -0.441 38.9-110.5 -75.9 158.0 14.9 -22.7 -12.0 45 45 A R H > S+ 0 0 76 18,-1.1 4,-3.0 1,-0.2 5,-0.2 0.905 118.4 50.6 -56.2 -46.3 16.2 -19.3 -10.7 46 46 A K H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.906 111.7 47.8 -59.0 -45.0 14.0 -19.4 -7.6 47 47 A N H >> S+ 0 0 49 50,-0.2 4,-1.8 2,-0.2 3,-0.6 0.972 112.9 49.3 -58.8 -52.8 15.3 -22.9 -6.8 48 48 A Y H 3X S+ 0 0 22 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.887 109.9 49.9 -51.8 -48.4 18.9 -21.7 -7.4 49 49 A E H 3< S+ 0 0 97 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.814 108.4 53.7 -65.1 -28.6 18.5 -18.7 -5.1 50 50 A A H << S+ 0 0 39 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.822 108.5 49.1 -75.1 -33.0 17.0 -20.8 -2.4 51 51 A I H < S- 0 0 41 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.914 98.3-155.5 -67.7 -45.9 20.1 -23.1 -2.6 52 52 A G < + 0 0 54 -4,-2.6 -3,-0.1 -5,-0.2 -4,-0.1 0.161 53.3 49.1 98.4 -19.2 22.2 -19.9 -2.4 53 53 A R S S- 0 0 146 -5,-0.3 2,-0.1 3,-0.0 -1,-0.0 -0.998 88.6 -86.7-153.7 149.9 25.5 -21.0 -4.1 54 54 A P - 0 0 53 0, 0.0 20,-0.1 0, 0.0 5,-0.1 -0.418 44.9-138.6 -52.3 128.8 27.1 -22.7 -7.1 55 55 A L - 0 0 20 3,-0.1 -14,-0.1 -2,-0.1 3,-0.1 -0.902 28.5-134.1-101.0 121.8 27.1 -26.4 -6.2 56 56 A P S S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.082 74.9 49.4 -96.3 171.5 30.4 -27.7 -7.3 57 57 A G S S+ 0 0 48 1,-0.1 -19,-1.9 -20,-0.1 -18,-0.3 0.826 108.3 59.2 76.3 32.3 31.7 -30.6 -9.2 58 58 A R S S- 0 0 38 -20,-0.2 2,-0.7 -21,-0.2 -3,-0.1 -0.802 92.3 -89.1 174.5 143.6 29.1 -30.0 -11.8 59 59 A R - 0 0 71 -2,-0.2 -18,-2.7 -3,-0.1 2,-0.7 -0.464 37.5-155.3 -58.8 104.4 27.7 -27.6 -14.4 60 60 A N E -c 41 0A 7 -2,-0.7 15,-2.6 13,-0.3 2,-0.6 -0.806 13.7-173.5 -82.9 114.3 25.0 -25.6 -12.7 61 61 A I E -ce 42 75A 0 -20,-2.5 -18,-2.4 -2,-0.7 2,-0.4 -0.948 7.9-156.9-114.5 115.5 22.6 -24.4 -15.4 62 62 A I E -ce 43 76A 0 13,-3.3 15,-2.9 -2,-0.6 2,-0.6 -0.758 6.3-147.8 -95.1 135.0 19.9 -22.0 -14.3 63 63 A V E +ce 44 77A 14 -20,-3.2 -18,-1.1 -2,-0.4 2,-0.3 -0.909 32.5 144.5-107.5 116.4 16.7 -21.7 -16.3 64 64 A T - 0 0 22 13,-2.3 5,-0.1 -2,-0.6 -2,-0.0 -0.992 53.1-135.1-148.8 147.9 14.9 -18.4 -16.6 65 65 A R S S+ 0 0 233 -2,-0.3 2,-0.5 2,-0.0 13,-0.1 0.758 81.0 106.7 -60.3 -26.9 12.9 -16.3 -19.1 66 66 A N > - 0 0 70 1,-0.2 3,-0.8 2,-0.1 -2,-0.1 -0.430 54.3-167.6 -67.1 110.2 15.0 -13.4 -18.0 67 67 A E T 3 S+ 0 0 123 -2,-0.5 -1,-0.2 1,-0.2 9,-0.0 0.722 85.1 51.9 -71.5 -23.6 17.6 -12.5 -20.7 68 68 A G T 3 S+ 0 0 55 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.560 81.7 118.2 -88.8 -7.2 19.7 -10.2 -18.4 69 69 A Y < + 0 0 30 -3,-0.8 2,-0.3 -5,-0.1 -5,-0.1 -0.425 33.7 157.3 -69.7 123.9 20.1 -12.8 -15.7 70 70 A H - 0 0 146 -2,-0.3 2,-0.3 5,-0.0 5,-0.1 -0.994 18.1-174.4-141.5 144.2 23.6 -13.9 -15.0 71 71 A V > - 0 0 30 -2,-0.3 3,-1.3 3,-0.2 -9,-0.1 -0.991 33.4-108.1-138.1 139.8 25.4 -15.4 -12.0 72 72 A E T 3 S+ 0 0 190 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.306 102.5 19.6 -63.2 141.8 29.1 -16.1 -11.6 73 73 A G T 3 S+ 0 0 69 1,-0.3 -13,-0.3 -19,-0.0 2,-0.3 0.677 114.4 84.2 74.4 19.0 30.2 -19.7 -11.7 74 74 A C < - 0 0 25 -3,-1.3 2,-0.3 -15,-0.1 -1,-0.3 -0.910 68.4-129.0-141.4 167.5 27.0 -20.7 -13.5 75 75 A E E -e 61 0A 66 -15,-2.6 -13,-3.3 -2,-0.3 2,-0.4 -0.898 18.8-146.9-116.3 153.7 25.3 -21.0 -16.9 76 76 A V E -e 62 0A 21 -2,-0.3 2,-0.3 -15,-0.2 -13,-0.2 -0.975 12.4-175.0-124.1 133.1 21.9 -19.6 -17.8 77 77 A A E -e 63 0A 0 -15,-2.9 -13,-2.3 -2,-0.4 3,-0.1 -0.919 15.1-158.2-122.8 152.9 19.5 -21.0 -20.3 78 78 A H S S+ 0 0 39 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.1 0.291 72.4 12.9-116.6 10.6 16.2 -19.4 -21.4 79 79 A S S > S- 0 0 40 1,-0.1 4,-1.4 0, 0.0 -1,-0.1 -0.970 78.1-100.3-172.9 165.3 14.3 -22.4 -22.7 80 80 A V H > S+ 0 0 22 -2,-0.3 4,-2.3 1,-0.2 3,-0.2 0.911 121.9 53.6 -64.5 -43.0 14.3 -26.2 -22.8 81 81 A E H > S+ 0 0 155 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.851 106.2 53.6 -61.0 -34.6 15.8 -26.2 -26.3 82 82 A E H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.850 108.0 50.7 -67.6 -35.2 18.6 -24.0 -25.0 83 83 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.2 -2,-0.2 0.916 109.2 49.3 -68.5 -45.7 19.3 -26.5 -22.3 84 84 A F H < S+ 0 0 47 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.875 111.3 50.4 -60.9 -38.6 19.5 -29.5 -24.7 85 85 A E H >< S+ 0 0 116 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.959 112.0 46.8 -64.5 -50.0 21.8 -27.5 -27.0 86 86 A L H 3< S+ 0 0 57 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.871 120.0 40.3 -55.7 -38.5 24.1 -26.6 -24.0 87 87 A C T >< S+ 0 0 0 -4,-2.4 3,-2.5 1,-0.2 -1,-0.3 0.212 77.1 125.3 -99.1 16.2 24.0 -30.3 -22.9 88 88 A K T < S+ 0 0 125 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.743 79.2 39.5 -52.2 -32.9 24.2 -31.9 -26.4 89 89 A N T 3 S+ 0 0 146 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.1 0.470 92.9 112.9 -94.6 -0.9 27.3 -34.0 -25.5 90 90 A E < - 0 0 49 -3,-2.5 3,-0.2 -6,-0.2 -51,-0.1 -0.443 55.6-154.6 -74.4 142.9 26.1 -34.9 -22.0 91 91 A E S S+ 0 0 134 1,-0.3 -89,-2.7 -90,-0.2 2,-0.3 0.794 79.4 8.2 -85.9 -31.2 25.1 -38.5 -21.2 92 92 A E E -a 2 0A 16 -91,-0.2 2,-0.3 -89,-0.0 -1,-0.3 -0.948 61.9-167.9-155.0 130.3 22.8 -37.6 -18.4 93 93 A I E -a 3 0A 0 -91,-2.7 -89,-2.5 -2,-0.3 2,-0.6 -0.854 15.2-140.2-115.9 155.1 21.3 -34.4 -17.0 94 94 A F E -ad 4 41A 0 -54,-2.4 -52,-3.4 -2,-0.3 2,-0.6 -0.931 6.1-146.4-121.4 108.9 19.4 -33.9 -13.7 95 95 A I E -ad 5 42A 0 -91,-3.2 -89,-3.0 -2,-0.6 -52,-0.2 -0.651 16.5-168.3 -70.5 118.3 16.4 -31.7 -13.6 96 96 A F E - 0 0 33 -54,-4.1 2,-0.2 -2,-0.6 -53,-0.2 0.540 36.8-112.8 -95.0 -11.7 16.8 -30.3 -10.0 97 97 A G E + d 0 43A 1 -55,-0.6 -53,-1.7 1,-0.2 -1,-0.3 -0.568 54.4 167.6 116.1-167.4 13.4 -28.7 -9.7 98 98 A G >> - 0 0 20 -2,-0.2 4,-2.0 -55,-0.2 3,-1.1 0.218 60.5-111.4 95.3 113.1 11.0 -25.8 -9.3 99 99 A A H 3> S+ 0 0 20 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.892 120.8 52.4 -45.0 -45.1 7.7 -27.5 -10.0 100 100 A Q H 3> S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.793 105.2 54.9 -63.2 -32.6 7.5 -25.5 -13.3 101 101 A I H <> S+ 0 0 13 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.926 106.4 50.0 -68.5 -45.7 10.9 -26.8 -14.3 102 102 A Y H X S+ 0 0 8 -4,-2.0 4,-1.0 1,-0.2 3,-0.3 0.904 109.8 53.1 -55.5 -44.2 9.9 -30.4 -13.9 103 103 A D H >< S+ 0 0 80 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.923 105.6 53.1 -57.3 -45.8 6.8 -29.6 -16.0 104 104 A L H 3< S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.823 116.1 38.9 -60.3 -30.7 9.0 -28.1 -18.7 105 105 A F H >X S+ 0 0 1 -4,-1.5 3,-1.9 -3,-0.3 4,-0.8 0.484 87.7 101.0-101.4 -2.1 11.1 -31.3 -18.9 106 106 A L T << S+ 0 0 66 -4,-1.0 3,-0.4 -3,-0.8 -1,-0.2 0.778 76.5 54.7 -53.9 -37.5 8.2 -33.8 -18.4 107 107 A P T 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.545 115.8 40.0 -81.4 4.6 7.8 -34.8 -22.0 108 108 A Y T <4 S+ 0 0 114 -3,-1.9 -105,-0.4 -106,-0.0 -2,-0.2 0.439 82.3 125.0-121.4 -9.4 11.5 -35.8 -22.2 109 109 A V < + 0 0 4 -4,-0.8 -105,-0.2 -3,-0.4 3,-0.1 -0.313 23.9 169.2 -66.5 134.8 12.1 -37.5 -18.9 110 110 A D + 0 0 61 -107,-3.4 50,-0.7 1,-0.3 2,-0.3 0.652 63.6 34.0-111.4 -25.5 13.6 -41.0 -19.0 111 111 A K E -bF 4 159A 41 -108,-1.7 -106,-2.4 48,-0.2 2,-0.5 -0.994 60.0-153.7-145.4 136.8 14.5 -41.6 -15.4 112 112 A L E -bF 5 158A 0 46,-2.7 46,-2.7 -2,-0.3 2,-0.7 -0.945 6.6-175.3-120.0 114.2 13.2 -40.6 -11.9 113 113 A Y E +bF 6 157A 20 -108,-3.0 -106,-2.4 -2,-0.5 2,-0.5 -0.911 23.1 175.3-101.9 105.5 15.3 -40.4 -8.7 114 114 A I E -bF 7 156A 4 42,-2.5 42,-1.7 -2,-0.7 2,-0.6 -0.947 24.5-159.4-120.7 124.4 12.8 -39.7 -6.0 115 115 A T E -bF 8 155A 1 -108,-3.8 -106,-3.0 -2,-0.5 2,-0.6 -0.881 14.2-160.7 -93.1 124.5 13.4 -39.4 -2.3 116 116 A K E -bF 9 154A 71 38,-2.4 38,-1.8 -2,-0.6 2,-0.5 -0.932 2.0-156.9-106.3 121.4 10.1 -39.9 -0.4 117 117 A I E - 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