==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-FEB-11 3QL3 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.BHABHA,D.C.EKIERT,P.E.WRIGHT,I.A.WILSON . 160 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 15 9.4 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 . 26 16.2 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 2 1 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 1 2 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 0 105 0, 0.0 90,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.3 21.6 -3.0 -11.2 2 2 A I E -a 91 0A 18 104,-0.4 106,-2.8 88,-0.2 107,-1.2 -0.913 360.0-175.6-111.5 133.7 18.3 -1.5 -12.6 3 3 A S E -ab 92 109A 0 88,-2.9 90,-2.6 -2,-0.4 2,-0.4 -0.964 15.2-144.7-125.5 146.5 15.3 -3.7 -13.3 4 4 A L E -ab 93 110A 0 105,-2.2 107,-3.2 -2,-0.3 2,-0.4 -0.878 12.0-167.9-105.7 142.3 11.9 -2.8 -14.8 5 5 A I E + b 0 111A 0 88,-2.0 2,-0.3 -2,-0.4 107,-0.2 -1.000 21.0 149.8-127.6 133.2 8.7 -4.5 -13.6 6 6 A A E - b 0 112A 0 105,-2.4 107,-2.1 -2,-0.4 2,-0.5 -0.991 40.3-132.6-157.6 154.5 5.4 -4.1 -15.5 7 7 A A E - b 0 113A 6 -2,-0.3 2,-0.5 105,-0.2 107,-0.2 -0.977 29.0-165.4-112.5 124.1 2.1 -5.8 -16.4 8 8 A L E - b 0 114A 9 105,-2.8 107,-3.0 -2,-0.5 6,-0.2 -0.932 8.3-162.3-114.9 126.8 1.3 -5.7 -20.1 9 9 A A > - 0 0 7 4,-2.9 3,-1.3 -2,-0.5 4,-0.2 -0.203 57.0 -46.9 -82.6-174.8 -2.0 -6.4 -21.8 10 10 A V G > S+ 0 0 58 107,-2.2 3,-1.2 1,-0.2 109,-0.3 -0.256 131.5 20.0 -53.4 142.3 -2.3 -7.1 -25.5 11 11 A D G 3 S- 0 0 129 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.743 130.0 -73.5 64.9 27.5 -0.3 -4.7 -27.7 12 12 A R G < S+ 0 0 86 -3,-1.3 113,-2.5 1,-0.2 -1,-0.2 0.651 80.6 165.9 63.0 20.1 1.9 -3.6 -24.8 13 13 A V E < +H 124 0B 6 -3,-1.2 -4,-2.9 -4,-0.2 111,-0.3 -0.471 11.5 167.6 -64.5 130.6 -1.0 -1.6 -23.2 14 14 A I E + 0 0 19 109,-2.4 2,-0.3 1,-0.3 110,-0.2 0.491 55.6 2.9-123.0 -8.0 -0.1 -0.7 -19.6 15 15 A G E -H 123 0B 7 108,-1.1 107,-1.9 5,-0.1 108,-1.3 -0.996 43.9-155.2-170.4 167.2 -2.8 1.9 -18.7 16 16 A M B > S-I 19 0C 63 3,-2.5 3,-1.8 -2,-0.3 105,-0.1 -0.899 80.9 -11.2-156.2 124.7 -5.8 4.0 -19.5 17 17 A E T 3 S- 0 0 155 -2,-0.3 3,-0.1 1,-0.3 104,-0.0 0.905 127.5 -55.4 51.9 48.0 -6.9 7.3 -18.0 18 18 A N T 3 S+ 0 0 77 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.637 123.6 85.0 59.3 24.4 -4.3 7.0 -15.3 19 19 A A B < S-I 16 0C 57 -3,-1.8 -3,-2.5 31,-0.0 -1,-0.2 -0.843 79.1-111.7-139.1 174.9 -5.5 3.6 -14.1 20 20 A M - 0 0 59 -2,-0.3 2,-1.4 -5,-0.2 -5,-0.1 -0.972 23.0-145.9-112.9 118.6 -5.1 -0.1 -15.0 21 21 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 -0.415 71.0 63.4 -87.6 59.4 -8.3 -1.6 -16.4 22 22 A W - 0 0 32 -2,-1.4 2,-0.4 97,-0.0 -2,-0.1 -0.949 64.9-141.4-161.7 163.3 -7.9 -5.1 -14.9 23 23 A N + 0 0 115 -2,-0.3 125,-0.8 123,-0.0 126,-0.2 -0.968 28.4 158.8-131.1 116.0 -7.8 -6.8 -11.5 24 24 A L >> - 0 0 3 -2,-0.4 4,-1.7 123,-0.1 3,-1.1 -0.773 15.6-174.7-137.5 87.3 -5.4 -9.7 -11.1 25 25 A P H 3> S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.811 84.9 60.6 -54.7 -34.2 -4.6 -10.3 -7.5 26 26 A A H 3> S+ 0 0 28 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.859 105.1 48.7 -59.2 -36.6 -2.0 -12.9 -8.4 27 27 A D H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.879 108.8 51.6 -73.9 -37.1 -0.1 -10.3 -10.4 28 28 A L H X S+ 0 0 52 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.889 108.3 52.4 -65.2 -37.6 -0.2 -7.8 -7.5 29 29 A A H X S+ 0 0 61 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.907 111.0 48.3 -61.7 -39.8 1.2 -10.6 -5.2 30 30 A W H X S+ 0 0 7 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.898 110.4 50.8 -64.5 -43.4 4.0 -11.1 -7.7 31 31 A F H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.938 112.7 46.1 -58.2 -47.8 4.6 -7.3 -7.8 32 32 A K H >X S+ 0 0 85 -4,-2.6 4,-2.4 1,-0.2 3,-0.6 0.930 111.4 51.7 -63.6 -46.3 4.8 -7.1 -4.0 33 33 A R H 3< S+ 0 0 164 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.884 114.1 43.1 -55.8 -43.2 7.1 -10.2 -3.8 34 34 A N H 3< S+ 0 0 17 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.604 121.5 37.8 -85.3 -14.0 9.6 -8.8 -6.3 35 35 A T H X< S+ 0 0 0 -4,-1.1 3,-1.5 -3,-0.6 -2,-0.2 0.643 81.9 117.1-111.1 -20.3 9.6 -5.2 -5.0 36 36 A L T 3< S+ 0 0 60 -4,-2.4 21,-0.2 1,-0.3 20,-0.1 -0.176 85.2 11.2 -54.3 137.4 9.5 -5.6 -1.2 37 37 A D T 3 S+ 0 0 139 19,-2.4 -1,-0.3 1,-0.2 20,-0.2 0.706 111.1 99.2 68.0 22.2 12.6 -4.3 0.6 38 38 A K S < S- 0 0 47 -3,-1.5 20,-0.5 18,-0.2 -1,-0.2 -0.942 81.2 -99.9-130.3 153.4 13.9 -2.5 -2.5 39 39 A P - 0 0 8 0, 0.0 53,-2.5 0, 0.0 2,-0.4 -0.555 35.6-155.1 -72.9 143.4 13.8 1.0 -3.7 40 40 A V E -cd 59 92A 0 18,-2.7 20,-2.9 -2,-0.2 2,-0.5 -0.976 2.9-157.3-121.0 132.1 11.1 1.7 -6.2 41 41 A I E +cd 60 93A 0 51,-2.7 53,-2.7 -2,-0.4 54,-0.4 -0.907 20.2 166.5-111.0 130.2 11.2 4.6 -8.8 42 42 A M E -c 61 0A 1 18,-2.3 20,-2.8 -2,-0.5 54,-0.3 -0.964 33.6-111.8-139.1 157.8 8.0 5.9 -10.3 43 43 A G E > -c 62 0A 8 52,-2.1 4,-2.4 -2,-0.3 3,-0.2 -0.420 39.7-104.4 -80.6 163.5 6.8 8.9 -12.4 44 44 A R H > S+ 0 0 85 18,-1.1 4,-2.3 1,-0.2 5,-0.2 0.864 119.0 54.0 -61.1 -36.6 4.4 11.5 -10.9 45 45 A H H > S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 109.5 48.1 -65.4 -41.3 1.4 10.1 -12.8 46 46 A T H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.940 108.3 54.2 -65.4 -46.9 2.0 6.7 -11.4 47 47 A W H X S+ 0 0 20 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.899 110.5 47.6 -48.1 -47.3 2.4 8.0 -7.9 48 48 A E H < S+ 0 0 105 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.857 110.3 51.0 -64.7 -36.3 -1.0 9.7 -8.3 49 49 A S H < S+ 0 0 53 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.866 113.2 45.8 -70.9 -34.2 -2.6 6.5 -9.6 50 50 A I H < S- 0 0 11 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.923 91.9-161.8 -72.9 -47.0 -1.3 4.5 -6.7 51 51 A G < + 0 0 55 -4,-2.8 -3,-0.1 -5,-0.2 -4,-0.1 0.417 56.4 41.6 88.9 -3.4 -2.4 7.2 -4.3 52 52 A R S S- 0 0 134 -5,-0.2 2,-0.0 3,-0.0 -2,-0.0 -0.970 94.3 -76.4-163.6 161.5 -0.3 6.3 -1.2 53 53 A P - 0 0 32 0, 0.0 19,-0.1 0, 0.0 5,-0.1 -0.378 45.1-120.4 -62.6 142.3 3.2 5.2 -0.3 54 54 A L > - 0 0 2 -14,-0.1 3,-0.9 3,-0.1 -14,-0.1 -0.790 36.4-121.2 -82.9 121.4 4.0 1.5 -1.0 55 55 A P T 3 S+ 0 0 89 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.308 87.0 18.8 -66.6 145.0 5.0 -0.0 2.4 56 56 A G T 3 S+ 0 0 47 1,-0.2 -19,-2.4 -20,-0.1 2,-0.3 0.665 108.5 90.1 76.1 16.5 8.4 -1.6 3.1 57 57 A R S < S- 0 0 20 -3,-0.9 2,-0.7 -20,-0.2 -1,-0.2 -0.982 82.7-114.2-138.6 147.2 10.0 0.1 0.0 58 58 A K - 0 0 104 -20,-0.5 -18,-2.7 -2,-0.3 2,-0.6 -0.775 36.3-147.3 -83.3 119.3 11.8 3.3 -0.4 59 59 A N E -c 40 0A 10 -2,-0.7 14,-2.8 12,-0.3 2,-0.5 -0.801 17.8-176.3 -96.6 119.2 9.4 5.3 -2.7 60 60 A I E -ce 41 73A 0 -20,-2.9 -18,-2.3 -2,-0.6 2,-0.5 -0.972 7.1-161.1-118.3 125.3 11.2 7.7 -5.1 61 61 A I E -ce 42 74A 0 12,-3.5 14,-2.7 -2,-0.5 2,-0.6 -0.933 10.0-143.4-112.4 129.5 9.1 9.9 -7.3 62 62 A L E +ce 43 75A 22 -20,-2.8 -18,-1.1 -2,-0.5 2,-0.3 -0.808 37.5 146.7 -87.6 121.2 10.3 11.7 -10.5 63 63 A S - 0 0 15 12,-2.3 4,-0.1 -2,-0.6 -2,-0.0 -0.958 48.2-146.3-149.2 144.2 8.8 15.1 -11.0 64 64 A S S S+ 0 0 108 -2,-0.3 12,-0.1 2,-0.1 -1,-0.0 0.562 89.1 73.3 -77.8 -10.9 10.2 18.4 -12.5 65 65 A Q S S- 0 0 119 10,-0.1 3,-0.1 1,-0.1 -2,-0.1 -0.678 98.7 -87.5-104.2 157.0 8.0 20.1 -9.9 66 66 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.256 52.4 -96.7 -63.8 152.5 8.6 20.3 -6.1 67 67 A G - 0 0 37 1,-0.1 3,-0.1 7,-0.1 7,-0.0 -0.329 26.1-167.5 -73.1 151.1 7.3 17.6 -3.9 68 68 A T S S+ 0 0 128 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.068 72.7 51.9-126.2 18.5 4.0 17.8 -2.1 69 69 A D > - 0 0 34 3,-0.1 3,-1.0 1,-0.0 -1,-0.2 -0.838 57.7-159.9-159.2 115.8 4.4 14.8 0.3 70 70 A D T 3 S+ 0 0 162 -2,-0.3 -1,-0.0 1,-0.2 4,-0.0 0.371 81.4 82.6 -83.7 7.3 7.3 14.1 2.7 71 71 A R T 3 S+ 0 0 157 2,-0.0 -12,-0.3 -18,-0.0 2,-0.3 0.571 98.8 39.7 -79.4 -11.8 6.4 10.4 3.1 72 72 A V S < S- 0 0 11 -3,-1.0 2,-0.5 -14,-0.1 -12,-0.2 -0.818 90.0-104.1-130.4 168.8 8.3 9.8 -0.2 73 73 A T E -e 60 0A 51 -14,-2.8 -12,-3.5 -2,-0.3 2,-0.4 -0.864 28.7-155.4-100.0 130.1 11.5 11.1 -1.9 74 74 A W E +e 61 0A 46 -2,-0.5 2,-0.3 -14,-0.2 -12,-0.2 -0.884 15.0 176.6-107.4 131.5 11.2 13.5 -4.8 75 75 A V E -e 62 0A 2 -14,-2.7 -12,-2.3 -2,-0.4 -10,-0.1 -0.915 26.3-147.4-131.4 160.9 13.9 13.8 -7.4 76 76 A K S S+ 0 0 126 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.1 0.435 74.9 27.3-114.5 0.6 14.1 15.9 -10.6 77 77 A S S > S- 0 0 56 1,-0.1 4,-2.2 -13,-0.0 5,-0.2 -0.982 77.4-106.7-154.3 165.3 16.2 13.7 -13.0 78 78 A V H > S+ 0 0 19 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.918 118.3 51.1 -58.5 -46.9 17.0 10.1 -13.8 79 79 A D H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.871 110.8 48.5 -60.9 -39.4 20.6 10.4 -12.3 80 80 A E H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.868 108.2 54.9 -67.7 -38.2 19.3 11.9 -9.1 81 81 A A H X S+ 0 0 0 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.895 111.1 44.9 -58.5 -46.3 16.7 9.1 -8.8 82 82 A I H >X S+ 0 0 47 -4,-2.0 3,-1.3 1,-0.2 4,-0.5 0.932 113.4 49.4 -65.4 -46.7 19.5 6.5 -9.1 83 83 A A H >< S+ 0 0 75 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.865 103.3 61.5 -59.7 -39.5 21.7 8.3 -6.6 84 84 A A H 3< S+ 0 0 25 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.703 95.3 63.2 -63.6 -18.0 18.9 8.6 -4.2 85 85 A C H << S- 0 0 7 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.718 92.7-155.8 -79.2 -22.5 18.7 4.7 -4.0 86 86 A G << - 0 0 43 -3,-1.2 2,-1.3 -4,-0.5 -1,-0.2 -0.365 48.8 -28.2 78.5-159.0 22.1 4.4 -2.5 87 87 A D S S+ 0 0 176 -2,-0.1 -1,-0.1 2,-0.0 -4,-0.0 -0.723 84.8 146.2 -95.6 84.0 24.2 1.3 -2.9 88 88 A V - 0 0 55 -2,-1.3 3,-0.1 1,-0.1 -50,-0.1 -0.879 55.4-122.6-116.6 156.7 21.6 -1.5 -3.2 89 89 A P S S+ 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.867 93.9 19.9 -63.2 -35.8 21.8 -4.7 -5.2 90 90 A E - 0 0 22 2,-0.0 2,-0.5 -88,-0.0 -88,-0.2 -0.980 60.0-159.6-147.5 127.8 18.6 -4.0 -7.3 91 91 A I E -a 2 0A 11 -90,-2.6 -88,-2.9 -2,-0.4 2,-0.6 -0.908 18.1-146.6-106.6 127.0 16.6 -0.9 -8.1 92 92 A M E -ad 3 40A 0 -53,-2.5 -51,-2.7 -2,-0.5 2,-0.6 -0.857 6.0-161.0 -99.7 123.0 13.0 -1.4 -9.2 93 93 A V E -ad 4 41A 0 -90,-2.6 -88,-2.0 -2,-0.6 -51,-0.2 -0.890 7.8-177.1-102.1 120.7 11.5 0.9 -11.8 94 94 A I - 0 0 1 -53,-2.7 -52,-0.2 -2,-0.6 2,-0.1 0.150 32.5-168.9-112.7 18.8 7.7 0.7 -11.6 95 95 A G - 0 0 0 -54,-0.4 -52,-2.1 1,-0.2 -1,-0.3 -0.422 43.2-143.2 97.7-168.4 6.7 3.0 -14.5 96 96 A G > - 0 0 17 -54,-0.3 4,-2.9 -2,-0.1 3,-0.3 0.320 55.9 -88.0 -91.4-143.6 4.7 4.6 -16.0 97 97 A G H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.878 124.4 44.2 -52.7 -49.0 5.2 4.7 -19.7 98 98 A R H > S+ 0 0 185 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.838 116.3 47.7 -66.2 -36.9 7.5 7.8 -19.9 99 99 A V H > S+ 0 0 10 -3,-0.3 4,-1.8 2,-0.2 5,-0.2 0.892 109.8 52.7 -72.3 -40.8 9.7 6.5 -17.0 100 100 A Y H X S+ 0 0 8 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.928 106.6 54.7 -57.8 -45.5 9.9 3.0 -18.5 101 101 A E H < S+ 0 0 113 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.874 110.2 45.2 -54.1 -41.7 11.2 4.6 -21.7 102 102 A Q H < S+ 0 0 93 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.811 117.2 42.1 -75.9 -31.4 14.0 6.5 -20.0 103 103 A F H >X S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.1 4,-1.1 0.673 91.3 84.6 -93.5 -17.1 15.2 3.6 -17.8 104 104 A L G >< S+ 0 0 23 -4,-2.0 3,-0.9 1,-0.3 -1,-0.1 0.895 86.8 54.3 -53.5 -49.1 15.1 0.8 -20.3 105 105 A P G 34 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.768 113.6 43.9 -55.1 -26.4 18.5 1.5 -21.9 106 106 A K G <4 S+ 0 0 94 -3,-1.2 -104,-0.4 -4,-0.2 -2,-0.2 0.609 93.1 106.3 -91.6 -15.8 20.0 1.3 -18.4 107 107 A A << - 0 0 0 -4,-1.1 -104,-0.2 -3,-0.9 3,-0.1 -0.379 41.9-176.0 -74.9 142.2 18.1 -1.9 -17.2 108 108 A Q S S+ 0 0 88 -106,-2.8 50,-2.4 1,-0.2 2,-0.3 0.572 74.0 38.0-102.1 -17.8 19.7 -5.3 -16.9 109 109 A K E -bF 3 157A 32 -107,-1.2 -105,-2.2 48,-0.2 2,-0.4 -0.980 58.9-161.7-139.2 145.2 16.4 -7.2 -16.0 110 110 A L E -bF 4 156A 0 46,-2.5 46,-2.3 -2,-0.3 2,-0.6 -0.999 3.0-164.7-124.5 129.4 12.8 -7.0 -17.0 111 111 A Y E +bF 5 155A 6 -107,-3.2 -105,-2.4 -2,-0.4 2,-0.4 -0.931 25.9 176.4-108.1 104.3 10.0 -8.6 -14.8 112 112 A L E -bF 6 154A 0 42,-2.6 42,-2.8 -2,-0.6 2,-0.5 -0.911 25.2-159.8-116.1 136.4 7.0 -8.7 -17.2 113 113 A T E -bF 7 153A 0 -107,-2.1 -105,-2.8 -2,-0.4 2,-0.7 -0.962 13.7-153.9-105.8 124.2 3.5 -10.1 -16.7 114 114 A H E -bF 8 152A 62 38,-2.8 38,-1.9 -2,-0.5 2,-0.5 -0.906 12.7-163.1-100.6 116.1 1.8 -10.8 -20.0 115 115 A I E - F 0 151A 6 -107,-3.0 2,-1.8 -2,-0.7 36,-0.2 -0.858 20.0-136.9-103.3 131.1 -1.9 -10.6 -19.5 116 116 A D + 0 0 106 34,-2.4 2,-0.3 -2,-0.5 34,-0.3 -0.592 64.7 118.6 -84.3 76.6 -4.3 -12.1 -22.1 117 117 A A - 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