==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-DEC-08 3FL8 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR C.R.BOURNE,W.W.BARROW . 1319 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 68427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 952 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 207 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 198 15.0 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 . 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 . 205 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 14.6 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 7 1 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 15 16 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 . 15 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 92 0, 0.0 2,-0.6 0, 0.0 91,-0.2 0.000 360.0 360.0 360.0 150.6 20.7 -38.0 -23.4 2 2 A I E -a 92 0A 61 89,-2.4 91,-2.7 88,-0.1 2,-0.7 -0.780 360.0-154.1 -87.1 119.1 19.0 -39.2 -20.2 3 3 A V E -a 93 0A 4 -2,-0.6 107,-3.5 105,-0.4 108,-1.6 -0.862 20.4-174.6 -95.6 113.2 16.6 -36.6 -18.8 4 4 A S E -ab 94 111A 0 89,-2.8 91,-3.4 -2,-0.7 2,-0.5 -0.897 21.9-142.7-116.1 135.1 16.3 -37.3 -15.0 5 5 A F E -ab 95 112A 1 106,-2.6 108,-3.0 -2,-0.4 2,-0.5 -0.796 14.5-164.4 -87.4 131.1 14.0 -35.7 -12.4 6 6 A M E + b 0 113A 4 89,-2.7 2,-0.3 -2,-0.5 108,-0.2 -0.972 25.2 156.4-115.1 117.2 15.8 -35.3 -9.0 7 7 A V E - b 0 114A 5 106,-2.8 108,-3.4 -2,-0.5 2,-0.4 -0.997 35.3-162.5-146.8 145.4 13.3 -34.7 -6.2 8 8 A A E + b 0 115A 14 -2,-0.3 2,-0.3 106,-0.2 108,-0.2 -1.000 31.4 160.9-121.9 128.7 12.7 -34.9 -2.5 9 9 A M E - b 0 116A 10 106,-2.9 108,-3.0 -2,-0.4 6,-0.2 -0.974 30.3-124.0-148.0 157.4 9.0 -34.7 -1.4 10 10 A D > - 0 0 4 4,-1.5 3,-2.0 -2,-0.3 110,-0.2 -0.113 51.7 -73.4 -93.5-166.3 6.8 -35.5 1.5 11 11 A E T 3 S+ 0 0 121 108,-1.9 109,-0.1 106,-0.4 107,-0.1 0.709 135.0 40.8 -63.4 -23.8 3.6 -37.6 1.8 12 12 A N T 3 S- 0 0 96 107,-0.3 -1,-0.3 2,-0.1 108,-0.1 0.104 122.5-101.1-112.5 20.0 1.6 -35.0 -0.0 13 13 A R < + 0 0 43 -3,-2.0 114,-2.7 1,-0.2 2,-0.2 0.634 63.1 164.0 71.9 15.0 4.2 -34.1 -2.6 14 14 A V E +H 126 0B 3 112,-0.2 -4,-1.5 1,-0.2 112,-0.2 -0.473 11.7 168.3 -61.1 131.9 5.4 -31.0 -0.9 15 15 A I E + 0 0 25 110,-2.5 2,-0.3 1,-0.3 111,-0.2 0.357 60.8 15.4-123.5 -0.6 8.8 -29.9 -2.2 16 16 A G E -H 125 0B 3 109,-1.0 108,-2.3 5,-0.1 109,-1.4 -0.979 46.4-162.7-169.8 154.4 9.0 -26.5 -0.7 17 17 A K B > S-I 20 0C 63 3,-2.6 3,-2.1 -2,-0.3 106,-0.1 -0.957 87.8 -15.3-143.9 126.5 7.7 -23.9 1.9 18 18 A D T 3 S- 0 0 32 -2,-0.3 3,-0.1 1,-0.3 105,-0.0 0.409 128.2 -59.9 62.6 -6.2 8.4 -20.2 1.7 19 19 A N T 3 S+ 0 0 76 1,-0.5 -1,-0.3 106,-0.0 2,-0.1 0.088 121.2 86.2 121.1 -20.6 11.0 -21.3 -0.8 20 20 A N B < S-I 17 0C 67 -3,-2.1 -3,-2.6 1,-0.1 -1,-0.5 -0.411 89.3 -83.4-101.6 178.1 13.1 -23.5 1.4 21 21 A L - 0 0 80 -5,-0.2 -5,-0.1 -2,-0.1 -1,-0.1 -0.736 27.4-143.7 -82.9 130.1 12.9 -27.2 2.4 22 22 A P S S+ 0 0 36 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.647 85.7 49.7 -65.6 -14.3 10.5 -27.8 5.3 23 23 A W S S- 0 0 10 98,-0.0 2,-0.5 2,-0.0 -2,-0.1 -0.792 73.0-140.0-122.8 163.5 12.9 -30.4 6.5 24 24 A R + 0 0 111 -2,-0.3 127,-0.2 4,-0.0 3,-0.1 -0.900 31.4 157.0-126.9 104.2 16.6 -30.7 7.1 25 25 A L >> + 0 0 3 -2,-0.5 4,-1.8 1,-0.1 3,-0.9 -0.724 13.3 179.3-128.7 82.6 18.1 -33.9 6.0 26 26 A P H 3> S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.844 85.3 56.2 -49.2 -40.6 21.9 -33.5 5.5 27 27 A S H 3> S+ 0 0 33 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.876 104.3 52.6 -64.2 -37.3 22.2 -37.2 4.5 28 28 A E H <> S+ 0 0 5 -3,-0.9 4,-2.2 2,-0.2 3,-0.4 0.951 109.1 49.5 -60.1 -49.3 19.5 -36.8 1.8 29 29 A L H X S+ 0 0 87 -4,-1.8 4,-2.6 1,-0.3 -2,-0.2 0.842 106.9 55.5 -59.9 -34.1 21.5 -33.9 0.3 30 30 A Q H X S+ 0 0 118 -4,-1.9 4,-2.4 2,-0.2 -1,-0.3 0.837 106.0 52.0 -67.4 -34.1 24.7 -36.0 0.4 31 31 A Y H X S+ 0 0 35 -4,-1.5 4,-2.7 -3,-0.4 -2,-0.2 0.924 108.4 50.6 -64.6 -45.0 22.7 -38.6 -1.6 32 32 A V H X S+ 0 0 11 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.952 111.5 48.4 -55.1 -49.7 21.9 -35.8 -4.1 33 33 A K H < S+ 0 0 117 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.914 113.2 46.8 -59.7 -44.9 25.5 -34.8 -4.3 34 34 A K H >< S+ 0 0 161 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.922 115.2 45.9 -62.4 -44.5 26.7 -38.4 -4.8 35 35 A T H 3< S+ 0 0 29 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.0 43.8 -70.4 -37.0 24.1 -39.2 -7.5 36 36 A T T >< S+ 0 0 2 -4,-2.4 3,-1.9 -5,-0.2 -1,-0.2 0.325 78.7 138.8 -95.1 7.3 24.5 -36.0 -9.6 37 37 A M T < S+ 0 0 124 -3,-0.7 21,-0.1 -4,-0.5 20,-0.1 -0.337 76.9 6.1 -60.4 122.3 28.3 -36.0 -9.6 38 38 A G T 3 S+ 0 0 53 19,-0.9 -1,-0.3 1,-0.3 20,-0.1 0.671 111.2 101.3 79.3 17.5 29.6 -35.0 -13.0 39 39 A H S < S- 0 0 34 -3,-1.9 -1,-0.3 18,-0.1 54,-0.2 -0.961 78.5 -96.6-131.3 149.5 26.2 -34.3 -14.5 40 40 A P - 0 0 2 0, 0.0 54,-2.2 0, 0.0 2,-0.5 -0.342 27.7-143.5 -62.9 142.9 24.4 -31.0 -15.1 41 41 A L E -cd 60 94A 1 18,-2.9 20,-2.9 52,-0.2 2,-0.6 -0.959 13.2-160.2-105.8 122.2 21.9 -29.6 -12.6 42 42 A I E +cd 61 95A 0 52,-3.3 54,-4.2 -2,-0.5 55,-0.5 -0.900 22.8 158.0-107.5 121.5 19.0 -27.9 -14.2 43 43 A M E -cd 62 97A 1 18,-2.4 20,-2.9 -2,-0.6 55,-0.2 -0.990 39.6-111.3-144.6 151.1 17.0 -25.6 -11.9 44 44 A G E > -c 63 0A 7 53,-1.9 4,-2.4 -2,-0.3 5,-0.2 -0.297 40.1-106.8 -69.5 163.8 14.7 -22.6 -12.0 45 45 A R H > S+ 0 0 77 18,-1.1 4,-2.6 1,-0.2 5,-0.2 0.940 119.2 49.5 -59.6 -51.1 15.9 -19.2 -10.8 46 46 A K H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 111.8 50.2 -53.4 -44.9 13.8 -19.3 -7.6 47 47 A N H > S+ 0 0 43 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.917 111.1 48.1 -61.8 -44.7 15.1 -22.8 -6.8 48 48 A Y H X S+ 0 0 17 -4,-2.4 4,-1.4 1,-0.2 3,-0.3 0.882 111.1 50.4 -64.4 -38.1 18.7 -21.7 -7.4 49 49 A E H < S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.824 104.5 58.0 -72.5 -29.2 18.3 -18.6 -5.2 50 50 A A H < S+ 0 0 30 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.808 107.6 48.0 -65.9 -30.0 16.8 -20.8 -2.4 51 51 A I H < S- 0 0 56 -4,-1.1 2,-0.5 -3,-0.3 -2,-0.2 0.759 96.0-151.9 -82.7 -28.6 20.1 -22.8 -2.4 52 52 A G < + 0 0 59 -4,-1.4 -3,-0.1 -5,-0.1 -1,-0.1 -0.135 60.2 46.3 92.0 -40.0 22.2 -19.7 -2.4 53 53 A R S S- 0 0 148 -2,-0.5 2,-0.3 -5,-0.1 -2,-0.0 -0.915 89.6 -90.3-136.6 157.9 25.4 -20.9 -4.1 54 54 A P - 0 0 46 0, 0.0 20,-0.1 0, 0.0 5,-0.0 -0.549 46.6-120.5 -63.3 130.8 26.5 -22.8 -7.2 55 55 A L > - 0 0 35 -2,-0.3 3,-0.9 1,-0.1 -14,-0.1 -0.701 36.7-122.3 -77.1 111.4 26.8 -26.5 -6.2 56 56 A P T 3 S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.080 86.8 32.3 -57.7 150.6 30.5 -27.3 -6.9 57 57 A G T 3 S+ 0 0 64 1,-0.2 -19,-0.9 -20,-0.1 2,-0.3 0.476 105.1 80.4 85.1 4.1 31.5 -30.0 -9.3 58 58 A R S < S- 0 0 36 -3,-0.9 2,-0.8 -20,-0.1 -1,-0.2 -0.979 85.9-104.9-138.7 152.0 28.6 -29.7 -11.7 59 59 A R - 0 0 72 -2,-0.3 -18,-2.9 -3,-0.1 2,-0.8 -0.692 38.6-153.5 -68.4 110.7 27.4 -27.5 -14.5 60 60 A N E -c 41 0A 5 -2,-0.8 15,-2.5 13,-0.5 2,-0.6 -0.844 13.0-171.4 -89.7 114.2 24.8 -25.5 -12.8 61 61 A I E -ce 42 75A 0 -20,-2.9 -18,-2.4 -2,-0.8 2,-0.5 -0.934 6.2-157.7-112.6 116.7 22.3 -24.4 -15.4 62 62 A I E -ce 43 76A 0 13,-2.8 15,-2.5 -2,-0.6 2,-0.6 -0.816 6.0-148.1 -99.9 129.0 19.7 -21.9 -14.4 63 63 A V E +ce 44 77A 11 -20,-2.9 -18,-1.1 -2,-0.5 2,-0.3 -0.849 32.3 146.6-102.0 117.6 16.4 -21.7 -16.3 64 64 A T - 0 0 19 13,-2.5 5,-0.0 -2,-0.6 -2,-0.0 -0.994 50.7-138.0-151.0 145.1 14.7 -18.3 -16.6 65 65 A R S S+ 0 0 228 -2,-0.3 2,-0.7 2,-0.0 13,-0.1 0.735 79.7 103.5 -67.6 -22.6 12.7 -16.3 -19.1 66 66 A N > - 0 0 64 1,-0.2 3,-1.3 2,-0.1 -2,-0.1 -0.512 57.2-163.9 -72.1 106.1 14.7 -13.2 -18.2 67 67 A E T 3 S+ 0 0 122 -2,-0.7 -1,-0.2 1,-0.3 9,-0.0 0.673 87.8 53.4 -64.4 -18.9 17.2 -12.7 -21.1 68 68 A G T 3 S+ 0 0 51 2,-0.0 -1,-0.3 -3,-0.0 2,-0.1 0.592 79.4 117.6 -92.5 -13.0 19.3 -10.4 -18.9 69 69 A Y < + 0 0 30 -3,-1.3 2,-0.3 -5,-0.0 -5,-0.1 -0.348 35.0 162.9 -62.2 127.5 19.8 -12.7 -15.9 70 70 A H - 0 0 150 -2,-0.1 2,-0.3 5,-0.0 5,-0.1 -0.992 13.9-177.5-141.8 149.6 23.4 -13.7 -15.2 71 71 A V > - 0 0 33 3,-0.4 3,-1.9 -2,-0.3 -9,-0.1 -0.943 34.7-101.1-152.3 132.1 25.2 -15.3 -12.3 72 72 A E T 3 S+ 0 0 180 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.121 103.9 10.2 -48.5 132.0 28.8 -16.1 -11.6 73 73 A G T 3 S+ 0 0 68 1,-0.2 -13,-0.5 -19,-0.0 2,-0.3 0.512 112.3 94.6 77.7 4.2 29.8 -19.8 -12.1 74 74 A C < - 0 0 21 -3,-1.9 -3,-0.4 -15,-0.1 2,-0.3 -0.933 65.5-136.6-125.9 150.3 26.5 -20.7 -13.7 75 75 A E E -e 61 0A 67 -15,-2.5 -13,-2.8 -2,-0.3 2,-0.4 -0.718 21.9-141.9 -95.2 157.2 25.1 -21.0 -17.2 76 76 A V E -e 62 0A 24 -2,-0.3 2,-0.3 -15,-0.2 -13,-0.2 -0.980 16.6-176.9-125.2 130.9 21.7 -19.6 -18.1 77 77 A A E -e 63 0A 0 -15,-2.5 -13,-2.5 -2,-0.4 3,-0.1 -0.902 14.6-162.0-119.9 155.1 19.1 -21.0 -20.4 78 78 A H S S+ 0 0 40 -2,-0.3 2,-0.3 -15,-0.2 3,-0.1 0.315 71.5 14.5-120.0 6.5 15.8 -19.4 -21.3 79 79 A S S > S- 0 0 38 1,-0.1 4,-2.0 0, 0.0 -1,-0.2 -0.979 78.9 -99.6-169.5 165.0 13.9 -22.4 -22.7 80 80 A V H > S+ 0 0 23 -2,-0.3 4,-2.8 2,-0.2 5,-0.3 0.944 121.9 56.9 -58.8 -47.9 13.9 -26.2 -22.9 81 81 A E H > S+ 0 0 151 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 107.4 47.5 -49.5 -49.3 15.4 -25.9 -26.4 82 82 A E H > S+ 0 0 63 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.878 110.1 52.8 -64.3 -37.4 18.3 -23.9 -25.0 83 83 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.942 110.4 46.7 -62.6 -47.4 18.8 -26.4 -22.2 84 84 A F H < S+ 0 0 49 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.864 112.6 51.3 -64.1 -35.2 19.0 -29.3 -24.7 85 85 A E H >< S+ 0 0 105 -4,-2.2 3,-1.6 -5,-0.3 -2,-0.2 0.956 110.9 47.6 -62.5 -51.9 21.3 -27.3 -26.9 86 86 A L H 3< S+ 0 0 53 -4,-2.9 3,-0.3 1,-0.3 -2,-0.2 0.850 116.5 43.2 -57.1 -37.3 23.6 -26.6 -23.9 87 87 A C T >< S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.2 -1,-0.3 0.130 76.3 134.1-100.4 19.1 23.6 -30.3 -22.8 88 88 A K T < S+ 0 0 125 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.781 79.2 31.1 -27.5 -51.6 24.0 -31.4 -26.4 89 89 A N T 3 S+ 0 0 151 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.402 91.3 123.2-101.7 2.5 26.7 -33.9 -25.5 90 90 A E < - 0 0 47 -3,-2.3 3,-0.1 1,-0.1 -88,-0.1 -0.345 51.7-151.2 -72.5 144.1 25.7 -34.9 -21.9 91 91 A E S S- 0 0 135 1,-0.3 -89,-2.4 -90,-0.2 2,-0.3 0.852 81.8 -1.5 -76.4 -37.0 25.0 -38.5 -21.0 92 92 A E E -a 2 0A 16 -91,-0.2 2,-0.3 -89,-0.0 -1,-0.3 -0.982 61.8-163.4-158.0 137.9 22.5 -37.5 -18.3 93 93 A I E -a 3 0A 0 -91,-2.7 -89,-2.8 -2,-0.3 2,-0.6 -0.936 14.8-137.4-125.0 154.2 21.0 -34.3 -16.8 94 94 A F E -ad 4 41A 1 -54,-2.2 -52,-3.3 -2,-0.3 2,-0.7 -0.925 5.5-147.7-118.2 110.5 19.1 -33.7 -13.6 95 95 A I E -ad 5 42A 0 -91,-3.4 -89,-2.7 -2,-0.6 -52,-0.2 -0.674 17.8-168.6 -73.6 115.4 16.1 -31.5 -13.5 96 96 A F E - 0 0 33 -54,-4.2 -53,-0.2 -2,-0.7 -1,-0.2 0.401 37.2-108.5 -98.6 -1.5 16.5 -30.2 -10.0 97 97 A G E + d 0 43A 1 -55,-0.5 -53,-1.9 1,-0.2 -1,-0.3 -0.425 53.6 167.4 108.6-168.2 13.2 -28.5 -9.6 98 98 A G > - 0 0 18 -55,-0.2 4,-2.1 -2,-0.1 3,-0.3 0.150 57.3-114.9 96.9 113.4 10.9 -25.7 -9.4 99 99 A A H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 3,-0.1 0.918 120.3 50.3 -45.0 -45.9 7.5 -27.3 -9.8 100 100 A Q H > S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.822 106.2 54.7 -67.1 -34.1 7.2 -25.3 -13.1 101 101 A I H > S+ 0 0 14 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.856 106.7 50.9 -67.2 -36.0 10.6 -26.6 -14.2 102 102 A Y H X S+ 0 0 8 -4,-2.1 4,-1.1 2,-0.2 3,-0.3 0.918 108.8 52.8 -65.2 -41.8 9.5 -30.2 -13.7 103 103 A D H >< S+ 0 0 82 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.909 106.0 53.4 -61.2 -41.8 6.4 -29.3 -15.8 104 104 A L H 3< S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.848 115.6 38.8 -60.5 -35.5 8.6 -28.0 -18.6 105 105 A F H >X S+ 0 0 1 -4,-1.4 3,-2.0 -3,-0.3 4,-0.8 0.499 86.0 100.6 -98.2 -2.2 10.6 -31.2 -18.8 106 106 A L G X< S+ 0 0 62 -4,-1.1 3,-0.7 -3,-0.6 -1,-0.2 0.826 77.0 57.3 -49.6 -40.9 7.8 -33.6 -18.3 107 107 A P G 34 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.674 115.8 36.9 -69.9 -11.2 7.4 -34.5 -22.0 108 108 A Y G <4 S+ 0 0 109 -3,-2.0 -105,-0.4 -4,-0.0 -2,-0.2 0.437 82.1 129.5-117.2 -5.5 11.1 -35.6 -22.1 109 109 A V << + 0 0 3 -4,-0.8 -105,-0.2 -3,-0.7 3,-0.1 -0.269 21.4 168.7 -65.8 136.5 11.7 -37.3 -18.7 110 110 A D + 0 0 62 -107,-3.5 50,-0.6 1,-0.3 2,-0.3 0.611 62.7 30.1-115.8 -23.3 13.3 -40.7 -18.8 111 111 A K E -bF 4 159A 40 -108,-1.6 -106,-2.6 48,-0.2 2,-0.5 -1.000 61.3-149.9-148.3 137.9 14.3 -41.4 -15.2 112 112 A L E -bF 5 158A 0 46,-2.7 46,-2.6 -2,-0.3 2,-0.7 -0.949 7.6-174.4-117.3 119.9 12.9 -40.5 -11.8 113 113 A Y E +bF 6 157A 19 -108,-3.0 -106,-2.8 -2,-0.5 2,-0.5 -0.911 23.5 174.5-106.4 101.0 15.0 -40.1 -8.6 114 114 A I E -bF 7 156A 4 42,-2.7 42,-2.1 -2,-0.7 2,-0.6 -0.941 23.9-160.3-120.1 117.6 12.4 -39.5 -5.9 115 115 A T E -bF 8 155A 1 -108,-3.4 -106,-2.9 -2,-0.5 2,-0.7 -0.862 14.8-157.6 -91.0 120.4 13.1 -39.3 -2.2 116 116 A K E -bF 9 154A 68 38,-2.6 38,-1.8 -2,-0.6 2,-0.6 -0.880 0.9-156.8-103.8 113.5 9.8 -39.9 -0.3 117 117 A I E - 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