==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-OCT-09 3KFY . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.J.COLLINS,A.L.LEE,M.J.CARROLL,A.V.GROMOVA,K.R.MILLER,S.F.S . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 15.1 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 19 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 15.7 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 1 2 0 0 0 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 0 3 1 0 1 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 . 1 1 0 0 0 0 1 1 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 1 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 88 0, 0.0 90,-3.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 159.6 21.3 -3.7 -10.6 2 2 A I E -a 91 0A 14 104,-0.5 106,-2.8 88,-0.2 107,-1.1 -0.778 360.0-179.9 -93.7 129.6 18.3 -1.8 -12.2 3 3 A S E -ab 92 109A 0 88,-3.2 90,-3.3 -2,-0.4 2,-0.4 -0.946 18.6-146.4-125.8 148.3 15.1 -3.8 -12.9 4 4 A L E -ab 93 110A 0 105,-2.0 107,-2.6 -2,-0.3 2,-0.4 -0.911 12.5-165.9-107.1 144.6 11.8 -2.8 -14.4 5 5 A I E + b 0 111A 5 88,-2.5 2,-0.3 -2,-0.4 107,-0.2 -0.998 20.5 154.9-130.6 126.9 8.6 -4.5 -13.2 6 6 A A E - b 0 112A 7 105,-2.4 107,-2.3 -2,-0.4 2,-0.5 -0.996 40.4-132.8-152.4 152.5 5.3 -4.1 -15.2 7 7 A A E - b 0 113A 11 -2,-0.3 2,-0.5 105,-0.2 107,-0.2 -0.953 31.1-167.6-111.1 115.1 1.9 -5.8 -16.0 8 8 A L E - b 0 114A 6 105,-3.2 107,-3.5 -2,-0.5 6,-0.2 -0.938 8.6-171.2-111.0 121.7 1.3 -5.8 -19.8 9 9 A A > - 0 0 7 4,-2.7 3,-1.3 -2,-0.5 4,-0.3 -0.189 56.8 -39.6 -90.8-166.8 -2.0 -6.6 -21.5 10 10 A V G > S+ 0 0 41 107,-2.1 3,-1.2 1,-0.3 109,-0.3 -0.213 133.6 17.5 -55.8 140.0 -2.5 -7.1 -25.3 11 11 A D G 3 S- 0 0 125 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.675 128.1 -75.8 67.5 23.6 -0.3 -4.6 -27.4 12 12 A R G < S+ 0 0 83 -3,-1.3 113,-2.8 1,-0.2 -1,-0.2 0.662 79.1 167.3 63.0 20.9 1.9 -3.8 -24.3 13 13 A V E < +H 124 0B 6 -3,-1.2 -4,-2.7 -4,-0.3 111,-0.3 -0.497 11.1 171.1 -66.6 129.5 -0.9 -1.6 -22.9 14 14 A I E - 0 0 18 109,-2.2 2,-0.3 1,-0.3 110,-0.2 0.548 55.8 -2.8-113.4 -20.5 -0.0 -0.8 -19.2 15 15 A G E -H 123 0B 10 108,-1.2 108,-1.6 5,-0.1 107,-1.4 -0.991 42.5-156.1-168.2 167.5 -2.6 1.8 -18.2 16 16 A M B > S-I 19 0C 54 3,-1.7 3,-0.8 -2,-0.3 105,-0.1 -0.945 84.3 -8.4-153.5 130.6 -5.6 4.1 -19.0 17 17 A E T 3 S- 0 0 141 -2,-0.3 3,-0.1 1,-0.2 104,-0.0 0.820 127.2 -58.2 42.7 46.4 -6.7 7.3 -17.2 18 18 A N T 3 S+ 0 0 85 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.870 118.8 89.9 50.4 53.0 -4.0 6.6 -14.4 19 19 A A B < S-I 16 0C 63 -3,-0.8 -3,-1.7 0, 0.0 -1,-0.2 -0.950 78.6-113.5-163.3 151.1 -5.4 3.2 -13.4 20 20 A M - 0 0 103 -2,-0.3 -5,-0.1 -5,-0.2 -6,-0.0 -0.848 26.5-154.7 -89.6 119.4 -4.9 -0.6 -14.3 21 21 A P + 0 0 67 0, 0.0 -1,-0.2 0, 0.0 100,-0.0 0.980 66.1 74.6 -59.6 -59.2 -8.2 -1.7 -15.9 22 22 A W S S- 0 0 25 1,-0.1 2,-0.6 2,-0.0 -2,-0.1 0.117 75.5-130.0 -50.5 158.7 -8.0 -5.5 -15.1 23 23 A N + 0 0 116 4,-0.0 125,-0.9 1,-0.0 126,-0.2 -0.831 40.1 156.5-118.8 89.2 -8.5 -7.3 -11.7 24 24 A L >> + 0 0 7 -2,-0.6 4,-1.7 123,-0.2 3,-1.4 -0.695 14.2 171.9-117.1 81.3 -5.4 -9.6 -11.2 25 25 A P H 3> S+ 0 0 36 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.816 82.3 60.8 -58.1 -29.3 -4.8 -10.4 -7.5 26 26 A A H 3> S+ 0 0 21 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.810 105.5 48.2 -66.8 -28.8 -2.1 -13.0 -8.5 27 27 A D H <> S+ 0 0 12 -3,-1.4 4,-3.2 2,-0.2 -1,-0.2 0.878 107.2 55.3 -75.5 -38.2 -0.2 -10.2 -10.2 28 28 A L H X S+ 0 0 108 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.908 110.8 45.8 -57.7 -42.2 -0.6 -8.0 -7.0 29 29 A A H X S+ 0 0 48 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.858 113.7 48.1 -69.4 -39.2 1.1 -10.9 -5.0 30 30 A W H X S+ 0 0 10 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.930 112.8 49.2 -65.1 -44.3 3.9 -11.3 -7.6 31 31 A F H X S+ 0 0 49 -4,-3.2 4,-1.0 2,-0.2 -2,-0.2 0.935 113.0 46.7 -59.7 -48.1 4.5 -7.5 -7.6 32 32 A K H >X S+ 0 0 121 -4,-2.4 4,-2.5 1,-0.2 3,-0.7 0.922 112.7 50.0 -59.0 -50.8 4.7 -7.4 -3.8 33 33 A R H 3< S+ 0 0 153 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 114.3 43.1 -57.5 -43.4 7.0 -10.4 -3.6 34 34 A N H 3< S+ 0 0 24 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.580 121.8 39.1 -84.1 -10.7 9.5 -9.1 -6.2 35 35 A T H X< S+ 0 0 0 -4,-1.0 3,-1.2 -3,-0.7 -2,-0.2 0.715 82.1 114.8-108.8 -27.0 9.5 -5.5 -4.8 36 36 A L T 3< S+ 0 0 63 -4,-2.5 21,-0.2 1,-0.2 20,-0.1 -0.148 87.0 9.5 -53.0 133.1 9.4 -5.9 -0.9 37 37 A D T 3 S+ 0 0 136 19,-2.6 -1,-0.2 1,-0.2 20,-0.2 0.733 109.8 100.2 66.3 30.3 12.6 -4.6 0.9 38 38 A K S < S- 0 0 47 -3,-1.2 -1,-0.2 18,-0.2 53,-0.1 -0.988 82.3 -98.5-136.4 144.8 14.0 -3.0 -2.3 39 39 A P - 0 0 8 0, 0.0 53,-2.4 0, 0.0 2,-0.4 -0.344 36.0-149.1 -63.0 144.3 13.9 0.7 -3.3 40 40 A V E -cd 59 92A 0 18,-3.0 20,-3.1 51,-0.2 2,-0.5 -0.976 5.4-158.4-116.5 129.3 11.1 1.5 -5.8 41 41 A I E +cd 60 93A 0 51,-2.5 53,-2.5 -2,-0.4 54,-0.5 -0.943 22.0 167.6-107.4 130.1 11.5 4.3 -8.4 42 42 A M E -cd 61 95A 0 18,-2.7 20,-3.0 -2,-0.5 54,-0.3 -0.952 33.8-112.0-139.6 157.4 8.3 5.8 -9.8 43 43 A G E > -c 62 0A 9 52,-1.8 4,-2.0 -2,-0.3 20,-0.1 -0.422 39.1-105.6 -78.4 162.5 7.0 8.8 -11.9 44 44 A R H > S+ 0 0 99 18,-1.1 4,-2.5 2,-0.2 5,-0.1 0.865 120.2 53.0 -60.2 -40.5 4.9 11.6 -10.4 45 45 A H H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 110.6 47.0 -62.3 -44.4 1.6 10.3 -12.1 46 46 A T H > S+ 0 0 23 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.871 111.0 53.6 -61.7 -41.7 2.2 6.7 -10.7 47 47 A W H X S+ 0 0 14 -4,-2.0 4,-1.4 1,-0.2 3,-0.3 0.939 109.2 47.8 -58.7 -50.2 2.9 8.3 -7.2 48 48 A E H < S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.878 108.7 54.0 -60.1 -41.3 -0.4 10.2 -7.3 49 49 A S H < S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.810 108.1 49.4 -64.7 -33.3 -2.4 7.1 -8.3 50 50 A I H < S- 0 0 64 -4,-1.5 2,-1.0 -3,-0.3 -1,-0.2 0.772 85.1-163.3 -77.4 -29.6 -1.1 5.0 -5.4 51 51 A G < + 0 0 48 -4,-1.4 -1,-0.1 -3,-0.2 -3,-0.1 -0.091 64.1 46.3 77.2 -36.7 -1.9 7.8 -2.7 52 52 A R S S- 0 0 182 -2,-1.0 0, 0.0 -5,-0.0 0, 0.0 -0.963 97.1 -89.1-135.3 150.0 0.3 6.4 0.1 53 53 A P - 0 0 30 0, 0.0 5,-0.0 0, 0.0 19,-0.0 -0.252 43.8-108.1 -61.2 147.5 4.0 5.1 0.1 54 54 A L > - 0 0 30 1,-0.1 3,-0.7 -14,-0.1 -14,-0.1 -0.661 46.0-121.5 -71.1 121.4 4.5 1.3 -0.6 55 55 A P T 3 S+ 0 0 94 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.392 86.7 21.6 -73.4 154.6 5.5 -0.1 2.8 56 56 A G T 3 S+ 0 0 47 1,-0.2 -19,-2.6 -20,-0.1 2,-0.3 0.759 109.8 87.7 63.2 29.9 8.7 -1.9 3.6 57 57 A R S < S- 0 0 35 -3,-0.7 2,-0.4 -20,-0.2 -1,-0.2 -0.959 84.3-112.9-150.6 141.1 10.4 -0.2 0.5 58 58 A K - 0 0 96 -2,-0.3 -18,-3.0 -3,-0.1 2,-0.7 -0.703 36.3-141.7 -77.5 126.7 12.2 3.1 -0.0 59 59 A N E -c 40 0A 10 -2,-0.4 14,-2.9 12,-0.3 2,-0.5 -0.840 19.3-174.0-100.7 111.8 9.9 5.2 -2.3 60 60 A I E -ce 41 73A 0 -20,-3.1 -18,-2.7 -2,-0.7 2,-0.5 -0.918 6.1-161.6-109.8 120.6 11.7 7.4 -4.9 61 61 A I E -ce 42 74A 0 12,-3.0 14,-2.7 -2,-0.5 2,-0.5 -0.912 8.8-146.0-107.3 128.4 9.6 9.8 -7.0 62 62 A L E +ce 43 75A 22 -20,-3.0 -18,-1.1 -2,-0.5 2,-0.3 -0.781 36.5 145.2 -94.7 117.3 10.8 11.3 -10.3 63 63 A S - 0 0 14 12,-2.4 4,-0.1 -2,-0.5 -2,-0.0 -0.966 49.1-142.7-151.7 140.5 9.5 14.9 -10.8 64 64 A S S S+ 0 0 98 -2,-0.3 12,-0.1 2,-0.1 -1,-0.1 0.766 89.5 69.7 -70.3 -27.0 11.0 18.0 -12.5 65 65 A Q S S- 0 0 132 1,-0.2 3,-0.1 10,-0.1 -2,-0.1 -0.466 100.7 -80.6 -91.9 159.9 9.2 20.0 -9.7 66 66 A P - 0 0 83 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.176 58.6 -93.2 -57.0 152.4 9.9 20.3 -5.9 67 67 A G - 0 0 37 7,-0.1 3,-0.1 1,-0.1 7,-0.0 -0.321 28.5-166.0 -67.9 149.1 8.5 17.5 -3.8 68 68 A T S S+ 0 0 124 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.036 71.8 52.7-123.8 23.3 5.1 17.8 -2.2 69 69 A D > - 0 0 29 3,-0.1 3,-0.9 1,-0.1 -1,-0.2 -0.839 56.9-160.1-162.3 117.3 5.2 14.9 0.4 70 70 A D T 3 S+ 0 0 164 -2,-0.3 -1,-0.1 1,-0.2 4,-0.0 0.579 84.9 78.2 -78.1 -7.0 8.0 14.3 3.0 71 71 A R T 3 S+ 0 0 129 2,-0.0 -12,-0.3 -18,-0.0 2,-0.2 0.659 98.7 46.5 -73.6 -15.2 7.0 10.6 3.3 72 72 A V S < S- 0 0 12 -3,-0.9 2,-0.5 -14,-0.1 -12,-0.2 -0.784 88.5-107.6-126.6 164.4 8.9 9.9 0.1 73 73 A T E -e 60 0A 54 -14,-2.9 -12,-3.0 -2,-0.2 2,-0.4 -0.840 33.8-151.4 -94.5 125.8 12.3 10.8 -1.6 74 74 A W E +e 61 0A 44 -2,-0.5 2,-0.3 -14,-0.2 -12,-0.2 -0.870 16.9 177.4-106.8 133.3 12.0 13.3 -4.4 75 75 A V E -e 62 0A 2 -14,-2.7 -12,-2.4 -2,-0.4 -10,-0.1 -0.911 26.3-153.2-132.9 160.0 14.5 13.4 -7.3 76 76 A K S S+ 0 0 133 -2,-0.3 2,-0.3 -14,-0.2 3,-0.1 0.323 75.2 32.7-116.7 3.6 14.8 15.5 -10.6 77 77 A S S > S- 0 0 56 1,-0.1 4,-2.2 -14,-0.0 5,-0.1 -0.976 76.5-111.8-156.4 162.6 16.7 13.1 -12.9 78 78 A V H > S+ 0 0 20 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.942 120.2 47.8 -58.9 -51.4 17.2 9.4 -13.7 79 79 A D H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.863 110.2 52.0 -63.5 -33.1 20.8 9.6 -12.4 80 80 A E H > S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 107.6 52.7 -67.3 -43.2 19.6 11.3 -9.1 81 81 A A H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.870 112.6 45.0 -56.2 -43.2 17.0 8.5 -8.6 82 82 A I H >X S+ 0 0 37 -4,-1.9 3,-1.3 2,-0.2 4,-0.6 0.924 112.8 49.5 -67.4 -49.1 19.7 5.8 -9.0 83 83 A A H >< S+ 0 0 77 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.869 104.2 60.0 -57.8 -39.3 22.2 7.7 -6.6 84 84 A A T 3< S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.637 98.1 61.2 -65.0 -15.9 19.3 8.1 -4.0 85 85 A C T <4 S- 0 0 9 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.730 90.3-167.9 -78.8 -27.1 19.1 4.3 -3.8 86 86 A G << - 0 0 51 -3,-1.2 2,-1.0 -4,-0.6 -1,-0.2 -0.310 51.4 -17.2 71.2-151.6 22.7 4.0 -2.6 87 87 A D S S+ 0 0 170 -2,-0.0 -1,-0.1 -4,-0.0 3,-0.0 -0.773 84.7 144.8 -91.1 94.2 24.5 0.5 -2.6 88 88 A V - 0 0 49 -2,-1.0 3,-0.1 1,-0.1 -50,-0.1 -0.947 57.2-121.1-128.1 151.6 21.6 -2.0 -2.8 89 89 A P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.884 94.8 11.8 -61.3 -33.6 21.5 -5.4 -4.6 90 90 A E - 0 0 19 -3,-0.0 2,-0.5 2,-0.0 -88,-0.2 -0.987 58.8-153.1-152.3 135.2 18.5 -4.4 -6.9 91 91 A I E -a 2 0A 12 -90,-3.3 -88,-3.2 -2,-0.3 2,-0.6 -0.900 19.2-146.0-104.8 125.5 16.6 -1.2 -7.8 92 92 A M E -ad 3 40A 0 -53,-2.4 -51,-2.5 -2,-0.5 2,-0.7 -0.869 4.6-159.0 -98.6 116.6 12.9 -1.8 -8.8 93 93 A V E -ad 4 41A 0 -90,-3.3 -88,-2.5 -2,-0.6 -51,-0.2 -0.872 12.3-179.9 -94.6 114.8 11.5 0.6 -11.5 94 94 A I E - 0 0 17 -53,-2.5 2,-0.2 -2,-0.7 -52,-0.2 0.391 31.8-174.4-100.7 0.3 7.7 0.5 -11.1 95 95 A G E - d 0 42A 0 -54,-0.5 -52,-1.8 1,-0.2 -1,-0.3 -0.624 49.0-138.3 114.5-174.3 6.5 2.9 -13.8 96 96 A G > - 0 0 19 -54,-0.3 4,-2.7 -2,-0.2 -1,-0.2 0.417 56.8 -89.7 -89.8-143.3 4.7 4.5 -15.5 97 97 A G H > S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.862 123.6 43.6 -48.5 -55.9 5.2 4.7 -19.3 98 98 A R H > S+ 0 0 183 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.843 115.2 50.7 -62.3 -39.0 7.7 7.6 -19.5 99 99 A V H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.950 108.7 50.3 -66.4 -46.3 9.7 6.2 -16.5 100 100 A Y H X S+ 0 0 15 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.883 108.5 55.3 -56.2 -43.3 10.0 2.7 -18.0 101 101 A E H < S+ 0 0 117 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.904 111.6 41.7 -56.7 -48.4 11.2 4.4 -21.3 102 102 A Q H < S+ 0 0 65 -4,-1.6 4,-0.2 1,-0.2 -1,-0.2 0.797 118.2 44.4 -70.8 -36.3 14.1 6.2 -19.6 103 103 A F H >X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 3,-1.0 0.699 91.5 83.8 -86.3 -21.7 15.2 3.4 -17.3 104 104 A L G >< S+ 0 0 25 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.867 89.0 50.9 -49.3 -51.4 15.1 0.6 -20.0 105 105 A P G 34 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.787 115.3 44.7 -58.9 -27.0 18.6 1.3 -21.4 106 106 A K G <4 S+ 0 0 88 -3,-1.0 -104,-0.5 -4,-0.2 -2,-0.2 0.606 95.4 103.7 -91.0 -11.5 20.0 1.2 -17.8 107 107 A A << - 0 0 0 -4,-1.1 -104,-0.2 -3,-0.9 3,-0.1 -0.424 42.7-177.6 -80.8 143.0 18.1 -2.0 -16.9 108 108 A Q S S+ 0 0 82 -106,-2.8 50,-2.1 1,-0.2 2,-0.3 0.516 74.1 36.4-107.9 -14.8 19.6 -5.5 -16.6 109 109 A K E -bF 3 157A 37 -107,-1.1 -105,-2.0 48,-0.2 2,-0.4 -0.986 58.6-162.5-144.9 145.2 16.3 -7.3 -15.7 110 110 A L E -bF 4 156A 0 46,-2.0 46,-2.4 -2,-0.3 2,-0.7 -0.999 5.2-161.2-131.3 126.4 12.6 -7.1 -16.7 111 111 A Y E -bF 5 155A 5 -107,-2.6 -105,-2.4 -2,-0.4 2,-0.5 -0.952 24.5-176.6-108.7 106.7 9.8 -8.7 -14.6 112 112 A L E -bF 6 154A 0 42,-3.0 42,-3.1 -2,-0.7 2,-0.7 -0.933 24.9-161.7-115.1 131.4 6.9 -8.9 -16.9 113 113 A T E -bF 7 153A 0 -107,-2.3 -105,-3.2 -2,-0.5 2,-0.7 -0.950 16.1-156.0-103.4 113.0 3.3 -10.1 -16.3 114 114 A H E -bF 8 152A 55 38,-3.0 38,-1.8 -2,-0.7 2,-0.4 -0.844 11.8-161.9 -91.6 114.9 1.8 -10.8 -19.7 115 115 A I E - F 0 151A 4 -107,-3.5 2,-1.7 -2,-0.7 36,-0.2 -0.845 18.9-139.3-100.2 131.4 -2.0 -10.5 -19.3 116 116 A D + 0 0 83 34,-2.6 34,-0.4 -2,-0.4 2,-0.3 -0.626 62.5 121.4 -89.4 77.9 -4.4 -12.1 -21.9 117 117 A A - 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