==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-NOV-91 1DRB . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.DAVID,J.KRAUT . 320 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 13.1 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 34 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 16.6 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 4 2 0 0 2 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 5 0 2 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 2 2 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 . 1 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 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 81 0, 0.0 90,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 139.8 25.0 58.2 4.7 2 2 A I E -ab 91 107A 20 104,-0.5 106,-3.0 88,-0.2 107,-1.2 -0.878 360.0-177.6-105.6 134.0 23.2 56.6 7.6 3 3 A S E -ab 92 109A 0 88,-2.8 90,-3.1 -2,-0.5 2,-0.4 -0.962 15.4-147.4-129.7 146.1 24.7 56.4 11.1 4 4 A L E -ab 93 110A 0 105,-2.0 107,-2.8 -2,-0.4 2,-0.4 -0.913 11.3-168.0-109.8 142.5 23.4 54.8 14.3 5 5 A I E + b 0 111A 0 88,-2.3 2,-0.3 -2,-0.4 107,-0.2 -0.995 19.1 157.8-130.0 131.5 24.2 56.3 17.6 6 6 A A E - b 0 112A 0 105,-2.0 107,-2.0 -2,-0.4 2,-0.5 -0.978 38.5-132.2-152.6 159.8 23.4 54.3 20.8 7 7 A A E - b 0 113A 16 -2,-0.3 2,-0.4 105,-0.2 8,-0.3 -0.990 30.0-165.8-119.9 118.7 24.4 54.0 24.4 8 8 A L E - b 0 114A 2 105,-2.9 107,-2.9 -2,-0.5 6,-0.2 -0.921 9.5-155.5-111.6 138.3 25.0 50.5 25.5 9 9 A A > - 0 0 5 4,-3.3 3,-1.6 -2,-0.4 4,-0.2 -0.253 57.7 -49.2 -92.4-171.1 25.3 49.0 29.0 10 10 A V G > S+ 0 0 44 107,-2.7 3,-1.1 1,-0.3 109,-0.3 -0.270 132.9 21.5 -59.3 142.5 27.3 45.8 29.6 11 11 A D G 3 S- 0 0 124 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.685 129.5 -77.5 71.5 19.1 26.4 43.0 27.2 12 12 A R G < S+ 0 0 83 -3,-1.6 113,-2.7 1,-0.2 -1,-0.2 0.676 78.8 166.2 65.3 23.9 25.0 45.6 24.8 13 13 A V B < -H 124 0B 7 -3,-1.1 -4,-3.3 -4,-0.2 2,-0.3 -0.497 11.7-175.2 -68.8 137.0 21.8 46.0 26.8 14 14 A I - 0 0 9 109,-1.8 109,-0.3 -6,-0.2 108,-0.1 -0.846 32.3 -77.7-129.2 165.3 19.9 49.1 25.7 15 15 A G + 0 0 30 -8,-0.3 82,-0.5 -2,-0.3 81,-0.2 -0.261 36.6 178.8 -64.8 150.7 16.7 50.9 26.9 16 16 A M S S- 0 0 100 2,-0.4 -1,-0.1 80,-0.1 3,-0.1 0.722 71.5 -40.1-115.2 -57.1 13.3 49.4 26.1 17 17 A E S S+ 0 0 107 1,-0.4 2,-0.1 287,-0.1 3,-0.1 0.445 115.8 69.0-143.7 -58.3 10.7 51.6 27.8 18 18 A N S S- 0 0 75 1,-0.1 -2,-0.4 288,-0.1 -1,-0.4 -0.417 93.8 -91.9 -72.8 154.2 11.7 52.8 31.3 19 19 A A - 0 0 15 285,-2.5 -1,-0.1 288,-0.4 287,-0.1 -0.216 47.3-103.7 -62.7 148.9 14.6 55.3 31.6 20 20 A M - 0 0 29 285,-0.1 2,-2.0 1,-0.1 288,-0.2 -0.531 30.9-110.8 -78.7 145.8 18.1 53.7 32.1 21 21 A P S S+ 0 0 32 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.484 82.7 86.1 -77.7 70.9 19.6 53.7 35.6 22 22 A W - 0 0 32 -2,-2.0 2,-0.4 95,-0.0 286,-0.1 -0.970 61.0-143.6-160.0 160.7 22.5 56.2 35.1 23 23 A N + 0 0 63 -2,-0.3 125,-2.3 156,-0.1 126,-0.2 -0.915 31.9 158.9-134.7 101.2 23.1 60.0 35.1 24 24 A L >> + 0 0 9 -2,-0.4 4,-2.0 123,-0.2 3,-0.8 -0.622 12.1 165.5-133.3 76.2 25.6 60.9 32.4 25 25 A P H 3> S+ 0 0 55 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.801 83.2 57.7 -58.3 -34.9 25.5 64.6 31.4 26 26 A A H 3> S+ 0 0 30 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.840 106.8 49.3 -65.0 -33.2 28.9 64.1 29.7 27 27 A C H <> S+ 0 0 7 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.869 109.0 50.5 -71.5 -41.6 27.3 61.4 27.6 28 28 A L H X S+ 0 0 65 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.805 106.7 56.0 -63.8 -31.4 24.3 63.5 26.6 29 29 A A H X S+ 0 0 51 -4,-1.7 4,-2.9 -5,-0.2 -1,-0.2 0.913 107.5 48.7 -65.3 -41.3 26.6 66.3 25.6 30 30 A W H X S+ 0 0 7 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.908 111.4 50.3 -61.5 -43.6 28.4 63.9 23.2 31 31 A F H X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.945 112.3 47.2 -61.3 -44.2 24.9 62.8 21.9 32 32 A K H >X S+ 0 0 102 -4,-2.9 4,-2.3 1,-0.2 3,-0.9 0.952 110.6 51.3 -63.1 -48.6 24.0 66.5 21.3 33 33 A R H 3< S+ 0 0 163 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.865 113.3 45.7 -55.9 -41.0 27.3 67.4 19.6 34 34 A N H 3< S+ 0 0 22 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.579 119.8 36.9 -80.3 -14.5 26.9 64.5 17.2 35 35 A T H X< S+ 0 0 0 -4,-1.0 3,-1.6 -3,-0.9 -2,-0.2 0.622 82.6 116.6-115.0 -14.0 23.3 65.0 16.2 36 36 A L T 3< S+ 0 0 60 -4,-2.3 21,-0.2 1,-0.3 20,-0.1 -0.249 83.6 14.7 -58.8 139.4 22.8 68.8 16.1 37 37 A D T 3 S+ 0 0 135 19,-2.3 -1,-0.3 1,-0.3 20,-0.2 0.657 111.5 94.3 72.0 20.7 21.9 70.2 12.7 38 38 A K S < S- 0 0 45 -3,-1.6 20,-0.8 18,-0.2 -1,-0.3 -0.910 82.4 -99.3-134.1 162.5 21.0 66.7 11.3 39 39 A P E -c 58 0A 5 0, 0.0 53,-2.6 0, 0.0 2,-0.4 -0.556 35.6-155.9 -78.2 144.4 17.8 64.8 11.0 40 40 A V E -cd 59 92A 0 18,-2.8 20,-2.9 -2,-0.2 2,-0.5 -0.987 4.0-158.7-122.7 136.0 17.2 62.1 13.7 41 41 A I E +cd 60 93A 0 51,-2.3 53,-2.8 -2,-0.4 54,-0.4 -0.964 22.2 162.7-116.4 132.5 14.9 59.0 13.3 42 42 A M E -c 61 0A 0 18,-2.2 20,-2.5 -2,-0.5 54,-0.3 -0.932 33.6-115.1-141.6 165.6 13.6 57.4 16.5 43 43 A G E > -c 62 0A 8 52,-1.9 4,-2.0 -2,-0.3 20,-0.2 -0.285 43.0 -92.7 -93.2 177.4 10.9 54.9 17.4 44 44 A R H > S+ 0 0 58 18,-0.5 4,-2.0 1,-0.2 5,-0.1 0.823 121.0 53.6 -64.5 -36.3 7.9 55.7 19.7 45 45 A H H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 109.5 48.6 -69.0 -39.6 9.4 54.6 23.0 46 46 A T H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.932 109.2 54.3 -62.9 -42.8 12.5 56.8 22.5 47 47 A W H X S+ 0 0 21 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.929 108.6 48.6 -56.5 -43.6 10.2 59.7 21.7 48 48 A E H < S+ 0 0 103 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.866 110.3 51.4 -66.6 -36.2 8.3 59.2 24.9 49 49 A S H < S+ 0 0 21 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.770 111.5 46.6 -69.0 -31.8 11.6 59.1 26.9 50 50 A I H < S- 0 0 8 -4,-2.0 -2,-0.2 -3,-0.2 -1,-0.2 0.931 89.3-160.5 -76.3 -45.2 12.8 62.3 25.3 51 51 A G < + 0 0 43 -4,-2.7 -3,-0.1 -5,-0.2 -4,-0.1 0.411 60.5 37.4 84.5 -1.1 9.5 64.0 26.0 52 52 A R S S- 0 0 105 -5,-0.3 2,-0.1 3,-0.0 -1,-0.0 -0.956 97.9 -75.5-168.4 162.3 9.9 66.9 23.4 53 53 A P - 0 0 28 0, 0.0 5,-0.0 0, 0.0 19,-0.0 -0.476 53.2-114.9 -64.0 135.9 11.3 67.6 20.0 54 54 A L > - 0 0 2 -2,-0.1 3,-1.2 1,-0.1 5,-0.1 -0.642 37.8-118.6 -74.4 128.0 15.2 67.8 20.2 55 55 A P T 3 S+ 0 0 73 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.325 91.6 20.5 -65.7 149.0 16.0 71.4 19.3 56 56 A G T 3 S+ 0 0 49 1,-0.2 -19,-2.3 -20,-0.1 2,-0.3 0.597 108.9 91.6 70.0 11.0 18.1 72.1 16.2 57 57 A R S < S- 0 0 19 -3,-1.2 2,-0.8 -20,-0.2 -1,-0.2 -0.956 81.3-117.0-135.4 150.6 17.3 68.7 14.7 58 58 A K E -c 39 0A 100 -20,-0.8 -18,-2.8 -2,-0.3 2,-0.6 -0.841 37.4-146.5 -85.7 112.9 14.6 67.5 12.3 59 59 A N E -c 40 0A 10 -2,-0.8 14,-3.0 12,-0.3 2,-0.5 -0.786 19.6-178.7 -88.7 118.6 12.7 64.9 14.5 60 60 A I E -ce 41 73A 0 -20,-2.9 -18,-2.2 -2,-0.6 2,-0.6 -0.964 10.3-159.1-118.2 127.0 11.2 61.9 12.6 61 61 A I E -ce 42 74A 0 12,-3.4 14,-2.9 -2,-0.5 2,-0.7 -0.928 4.4-155.0-108.6 120.2 9.2 59.3 14.5 62 62 A L E +ce 43 75A 17 -20,-2.5 -18,-0.5 -2,-0.6 2,-0.3 -0.848 39.4 134.5 -93.0 116.4 8.9 55.8 12.8 63 63 A S - 0 0 19 12,-2.8 4,-0.1 -2,-0.7 -2,-0.1 -0.984 58.0-136.3-161.5 154.6 5.7 54.2 14.2 64 64 A S S S+ 0 0 105 -2,-0.3 12,-0.1 2,-0.1 -1,-0.1 0.598 86.8 77.2 -86.3 -18.6 2.6 52.3 13.1 65 65 A Q S S- 0 0 133 1,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.260 95.5 -84.5-102.5 151.0 0.3 54.3 15.3 66 66 A P - 0 0 63 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.590 43.9-110.0 -57.7 148.5 -0.9 57.8 14.6 67 67 A G - 0 0 39 -2,-0.2 7,-0.1 1,-0.2 -4,-0.0 -0.709 23.2-167.8 -86.6 119.6 1.2 60.8 15.6 68 68 A T + 0 0 97 -2,-0.5 2,-0.3 1,-0.0 -1,-0.2 0.936 67.9 62.2 -67.6 -53.0 -0.1 62.9 18.5 69 69 A D > - 0 0 30 1,-0.1 3,-0.6 4,-0.0 5,-0.1 -0.631 58.6-158.2 -89.7 135.2 2.2 65.9 18.0 70 70 A D T 3 S+ 0 0 150 -2,-0.3 -1,-0.1 1,-0.2 4,-0.0 0.498 83.1 79.5 -86.1 -8.3 2.4 68.3 15.1 71 71 A R T 3 S+ 0 0 150 2,-0.0 -12,-0.3 -18,-0.0 2,-0.3 0.541 96.0 40.2 -77.7 -10.5 5.9 69.5 16.0 72 72 A V S < S- 0 0 15 -3,-0.6 2,-0.6 -14,-0.1 -12,-0.2 -0.846 88.6 -97.4-133.1 172.4 7.6 66.4 14.5 73 73 A T E -e 60 0A 49 -14,-3.0 -12,-3.4 -2,-0.3 2,-0.5 -0.845 29.0-157.2-100.2 126.6 7.4 64.1 11.4 74 74 A W E +e 61 0A 58 -2,-0.6 2,-0.3 -14,-0.2 -12,-0.2 -0.881 16.8 176.8-102.6 124.5 5.5 60.8 11.8 75 75 A V E -e 62 0A 14 -14,-2.9 -12,-2.8 -2,-0.5 3,-0.1 -0.896 26.4-153.9-125.7 155.2 6.3 58.1 9.3 76 76 A K S S+ 0 0 60 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.1 0.562 74.1 31.1-105.1 -10.8 5.1 54.6 8.9 77 77 A S S > S- 0 0 37 1,-0.1 4,-2.4 -13,-0.0 5,-0.2 -0.975 75.8-112.0-146.3 162.5 8.1 52.9 7.1 78 78 A V H > S+ 0 0 26 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.894 116.8 55.1 -54.8 -48.6 11.9 53.0 6.7 79 79 A D H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.938 110.6 44.7 -53.6 -52.6 11.5 54.2 3.1 80 80 A E H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.832 109.7 55.6 -60.4 -41.3 9.3 57.1 4.2 81 81 A A H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.941 110.3 46.6 -55.9 -49.4 11.7 58.0 7.1 82 82 A I H >X S+ 0 0 51 -4,-2.9 3,-1.2 1,-0.2 4,-0.5 0.914 111.2 49.9 -59.4 -46.7 14.6 58.2 4.6 83 83 A A H >< S+ 0 0 76 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.914 103.7 61.0 -58.7 -43.5 12.6 60.4 2.2 84 84 A A H 3< S+ 0 0 23 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.666 94.7 65.1 -57.8 -22.6 11.6 62.7 5.0 85 85 A C H << S- 0 0 10 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.729 88.7-159.0 -76.1 -23.3 15.3 63.5 5.6 86 86 A G << - 0 0 48 -3,-1.8 2,-0.9 -4,-0.5 -1,-0.2 -0.390 50.4 -32.9 74.4-156.9 15.8 65.1 2.2 87 87 A D S S+ 0 0 170 -2,-0.1 -1,-0.1 2,-0.0 -4,-0.0 -0.819 81.4 143.2-106.6 96.3 19.4 65.3 0.9 88 88 A V - 0 0 47 -2,-0.9 3,-0.1 1,-0.1 -50,-0.0 -0.883 57.6-116.8-127.2 159.4 21.8 65.7 3.8 89 89 A P S S+ 0 0 114 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.745 96.6 20.0 -66.6 -31.9 25.3 64.3 4.3 90 90 A E - 0 0 23 2,-0.0 2,-0.4 -88,-0.0 -88,-0.2 -0.960 57.4-160.7-152.9 131.2 24.3 62.2 7.3 91 91 A I E -a 2 0A 12 -90,-2.7 -88,-2.8 -2,-0.4 2,-0.5 -0.901 20.1-145.3-106.3 133.1 21.1 60.9 8.9 92 92 A M E -ad 3 40A 0 -53,-2.6 -51,-2.3 -2,-0.4 2,-0.6 -0.888 5.9-159.7-103.9 127.6 21.3 59.9 12.6 93 93 A V E -ad 4 41A 0 -90,-3.1 -88,-2.3 -2,-0.5 -51,-0.2 -0.922 9.2-177.2-105.5 119.7 19.3 56.9 13.8 94 94 A I - 0 0 2 -53,-2.8 -52,-0.2 -2,-0.6 -1,-0.1 0.254 32.8-167.5-106.7 12.2 18.8 57.2 17.6 95 95 A G - 0 0 0 -54,-0.4 -52,-1.9 1,-0.2 -1,-0.3 -0.334 49.3-147.8 102.2-174.6 17.0 54.0 18.5 96 96 A G > - 0 0 21 -54,-0.3 4,-2.4 -81,-0.2 3,-0.4 0.362 60.2 -87.7 -83.0-155.2 15.4 52.0 20.0 97 97 A G H > S+ 0 0 8 -82,-0.5 4,-2.4 1,-0.3 5,-0.2 0.833 123.0 45.2 -42.3 -58.3 16.1 48.3 19.3 98 98 A R H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.918 113.4 52.3 -61.4 -39.9 13.6 47.7 16.5 99 99 A V H > S+ 0 0 9 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.926 109.5 48.7 -60.5 -46.1 14.7 50.9 14.8 100 100 A Y H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.899 109.0 53.4 -58.9 -43.0 18.4 49.9 15.0 101 101 A E H < S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 109.2 49.8 -61.0 -39.1 17.6 46.4 13.5 102 102 A Q H < S+ 0 0 71 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.781 119.4 34.5 -68.3 -34.1 15.9 48.0 10.6 103 103 A F H >X S+ 0 0 0 -4,-1.6 3,-1.4 -3,-0.2 4,-1.0 0.643 92.1 87.7 -98.7 -20.6 18.7 50.5 9.7 104 104 A L G >< S+ 0 0 22 -4,-2.3 3,-0.6 1,-0.3 -1,-0.1 0.818 85.6 55.8 -48.0 -45.4 21.8 48.5 10.6 105 105 A P G 34 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.784 114.3 41.2 -58.4 -33.1 22.1 46.9 7.1 106 106 A K G <4 S+ 0 0 76 -3,-1.4 -104,-0.5 -4,-0.1 -2,-0.2 0.493 93.2 112.6 -93.0 -9.4 22.1 50.4 5.6 107 107 A A E << -b 2 0A 1 -4,-1.0 -104,-0.2 -3,-0.6 3,-0.1 -0.386 38.5-179.5 -73.4 143.4 24.4 52.0 8.1 108 108 A Q E S+ 0 0 113 -106,-3.0 50,-2.3 1,-0.3 2,-0.3 0.544 70.2 33.5-112.7 -19.7 27.9 53.2 7.3 109 109 A K E -bF 3 157A 46 -107,-1.2 -105,-2.0 48,-0.2 2,-0.4 -0.995 58.2-158.3-145.5 149.7 28.9 54.5 10.7 110 110 A L E -bF 4 156A 0 46,-2.4 46,-2.6 -2,-0.3 2,-0.6 -0.998 0.2-167.5-127.1 128.5 28.3 53.7 14.4 111 111 A Y E -bF 5 155A 6 -107,-2.8 -105,-2.0 -2,-0.4 2,-0.4 -0.974 23.5-176.7-112.8 110.9 28.8 56.1 17.2 112 112 A L E -bF 6 154A 0 42,-3.7 42,-3.0 -2,-0.6 2,-0.6 -0.937 24.6-162.2-118.4 139.5 28.7 54.0 20.4 113 113 A T E -bF 7 153A 0 -107,-2.0 -105,-2.9 -2,-0.4 2,-0.6 -0.984 15.4-160.6-114.4 111.5 28.9 55.1 24.1 114 114 A H E -bF 8 152A 48 38,-3.1 38,-2.4 -2,-0.6 2,-0.4 -0.877 9.2-164.3 -96.7 127.9 29.8 52.0 26.1 115 115 A I E - 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