==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-APR-05 1ZDR . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR H.S.KIM,S.M.DAMO,S.Y.LEE,D.WEMMER,J.P.KLINMAN . 321 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 14.6 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 . 4 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 . 36 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 15.3 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 1 1 1 2 0 1 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 . 1 0 4 2 1 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 . 3 2 0 0 0 1 3 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 . 2 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 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 87 0, 0.0 92,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 177.4 25.9 14.5 -5.0 2 2 A I E -a 93 0A 14 106,-0.4 108,-2.4 90,-0.2 109,-0.8 -0.863 360.0-175.7-105.1 133.3 25.8 10.8 -4.0 3 3 A S E -ab 94 111A 0 90,-3.1 92,-3.1 -2,-0.4 2,-0.4 -0.852 23.4-134.9-128.6 155.7 27.9 9.6 -1.0 4 4 A H E -ab 95 112A 0 107,-2.4 109,-3.0 -2,-0.3 2,-0.4 -0.865 18.8-169.4-103.3 144.8 28.8 6.4 0.9 5 5 A I E + b 0 113A 5 90,-2.0 2,-0.3 -2,-0.4 109,-0.2 -0.984 22.0 150.3-133.9 129.3 28.6 6.5 4.7 6 6 A V E - b 0 114A 13 107,-2.7 109,-2.9 -2,-0.4 2,-0.4 -0.997 38.7-141.9-157.8 152.5 30.0 3.4 6.5 7 7 A A E + b 0 115A 14 -2,-0.3 2,-0.3 107,-0.2 109,-0.2 -0.983 33.5 162.8-119.8 130.5 31.7 2.3 9.7 8 8 A M E - b 0 116A 10 107,-2.4 109,-2.4 -2,-0.4 6,-0.2 -0.973 28.7-125.2-146.2 157.2 34.5 -0.3 9.3 9 9 A D E > - b 0 117A 3 4,-1.4 3,-2.4 -2,-0.3 111,-0.2 -0.188 49.7 -73.6 -95.4-168.8 37.4 -1.7 11.4 10 10 A E T 3 S+ 0 0 108 109,-2.0 110,-0.1 107,-0.6 108,-0.1 0.643 135.7 43.0 -62.0 -20.8 41.2 -2.0 10.7 11 11 A N T 3 S- 0 0 97 108,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.160 121.5-106.6-109.3 16.9 40.5 -4.9 8.3 12 12 A R < + 0 0 77 -3,-2.4 115,-2.1 1,-0.2 2,-0.2 0.662 60.5 164.2 68.2 19.6 37.5 -3.2 6.7 13 13 A V E +H 126 0B 4 113,-0.2 -4,-1.4 1,-0.2 113,-0.3 -0.469 12.6 172.4 -63.3 134.3 35.1 -5.5 8.4 14 14 A I E + 0 0 23 111,-3.1 2,-0.3 1,-0.3 112,-0.2 0.460 61.0 3.6-120.1 -6.4 31.6 -3.9 8.2 15 15 A G E -H 125 0B 6 110,-1.3 109,-2.4 5,-0.1 110,-1.3 -0.993 45.9-158.4-168.9 162.9 29.5 -6.8 9.6 16 16 A K B > S-I 19 0C 74 3,-2.9 3,-1.7 -2,-0.3 107,-0.0 -0.916 86.1 -10.5-148.9 121.2 29.4 -10.3 11.1 17 17 A D T 3 S- 0 0 110 -2,-0.3 3,-0.1 1,-0.3 106,-0.0 0.913 127.0 -59.0 55.1 44.4 26.3 -12.5 11.0 18 18 A N T 3 S+ 0 0 108 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.631 123.5 89.4 59.7 17.7 24.2 -9.6 9.7 19 19 A R B < S-I 16 0C 182 -3,-1.7 -3,-2.9 0, 0.0 -1,-0.2 -0.808 84.3 -97.2-131.2 176.1 25.0 -7.6 12.7 20 20 A L - 0 0 83 -2,-0.3 -5,-0.1 -5,-0.2 103,-0.1 -0.806 21.2-148.7 -94.2 132.2 27.7 -5.1 13.9 21 21 A P S S+ 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.519 81.4 47.7 -80.7 -1.3 30.5 -6.7 16.0 22 22 A W S S- 0 0 17 99,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.793 70.8-142.1-126.2 171.3 31.0 -3.5 17.9 23 23 A H + 0 0 129 -2,-0.3 0, 0.0 125,-0.1 0, 0.0 -0.967 25.8 167.9-135.7 113.8 28.6 -1.0 19.6 24 24 A L >> - 0 0 2 -2,-0.4 4,-1.8 1,-0.1 3,-1.1 -0.737 14.1-176.0-134.3 86.6 29.8 2.6 19.1 25 25 A P H 3> S+ 0 0 40 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.842 84.7 61.7 -47.8 -42.1 27.1 5.1 20.2 26 26 A A H 3> S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.910 107.6 44.7 -55.4 -41.3 29.3 8.0 19.0 27 27 A D H <> S+ 0 0 15 -3,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.858 110.7 52.5 -72.1 -35.9 29.2 6.6 15.5 28 28 A L H X S+ 0 0 83 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.901 110.9 48.1 -65.4 -38.9 25.5 5.9 15.6 29 29 A A H X S+ 0 0 42 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.878 112.3 49.0 -67.2 -36.8 24.9 9.5 16.6 30 30 A Y H X S+ 0 0 32 -4,-1.7 4,-3.0 -5,-0.3 5,-0.3 0.942 110.9 50.3 -66.2 -49.8 27.2 10.9 13.9 31 31 A F H X S+ 0 0 41 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.921 113.1 46.7 -53.2 -47.0 25.4 8.7 11.3 32 32 A K H X S+ 0 0 116 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.907 113.2 47.4 -66.0 -41.4 22.0 10.0 12.5 33 33 A R H < S+ 0 0 171 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.936 115.6 46.1 -67.0 -41.7 23.1 13.6 12.5 34 34 A V H < S+ 0 0 31 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.901 118.8 39.0 -70.1 -42.2 24.7 13.4 9.0 35 35 A T H >< S+ 0 0 0 -4,-2.7 3,-2.4 -5,-0.3 -1,-0.2 0.673 83.1 125.0 -84.5 -15.7 21.8 11.5 7.4 36 36 A M T 3< S+ 0 0 77 -4,-1.7 21,-0.2 1,-0.3 20,-0.1 -0.123 83.1 8.4 -47.3 131.9 18.9 13.4 9.0 37 37 A G T 3 S+ 0 0 47 19,-2.3 -1,-0.3 1,-0.2 2,-0.3 0.539 113.7 101.8 74.3 6.1 16.5 14.9 6.5 38 38 A H S < S- 0 0 45 -3,-2.4 20,-1.7 18,-0.1 -1,-0.2 -0.766 80.0 -95.2-119.5 165.9 18.2 13.1 3.6 39 39 A A E -c 58 0A 5 53,-0.5 55,-2.6 -2,-0.3 2,-0.4 -0.581 33.9-163.8 -75.0 139.4 17.6 10.1 1.4 40 40 A I E -cd 59 94A 0 18,-2.3 20,-2.6 -2,-0.2 2,-0.4 -0.986 5.0-157.8-122.4 136.9 19.4 6.9 2.6 41 41 A V E +cd 60 95A 10 53,-3.0 55,-2.9 -2,-0.4 56,-0.8 -0.955 19.2 165.1-120.7 128.4 19.7 4.0 0.1 42 42 A M E -cd 61 97A 0 18,-2.8 20,-2.8 -2,-0.4 56,-0.2 -0.951 32.5-113.9-142.6 160.4 20.2 0.5 1.2 43 43 A G E > -c 62 0A 12 54,-1.7 4,-2.2 -2,-0.3 5,-0.2 -0.303 45.0 -93.3 -84.9 178.3 20.1 -3.1 -0.1 44 44 A R H > S+ 0 0 109 18,-0.6 4,-2.9 1,-0.2 5,-0.2 0.897 122.0 52.1 -60.1 -44.0 17.6 -5.7 1.2 45 45 A K H > S+ 0 0 110 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.914 110.8 49.4 -60.9 -40.9 19.8 -7.3 3.9 46 46 A T H > S+ 0 0 31 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.939 111.5 47.3 -64.3 -45.9 20.4 -3.9 5.4 47 47 A F H X S+ 0 0 8 -4,-2.2 4,-3.1 1,-0.2 3,-0.2 0.939 111.9 52.2 -60.6 -44.7 16.8 -2.9 5.4 48 48 A E H < S+ 0 0 105 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.903 107.3 50.5 -59.5 -42.8 16.0 -6.3 7.0 49 49 A A H < S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.838 113.9 46.2 -66.3 -29.2 18.5 -5.9 9.7 50 50 A I H < S- 0 0 64 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.875 90.9-160.8 -77.6 -37.7 17.0 -2.5 10.5 51 51 A G < + 0 0 46 -4,-3.1 -3,-0.1 -5,-0.2 -1,-0.1 0.005 63.8 36.2 84.8 -30.3 13.5 -3.9 10.3 52 52 A R S S- 0 0 203 -5,-0.1 20,-0.1 -2,-0.1 0, 0.0 -0.983 96.6 -83.9-150.4 155.5 11.7 -0.5 9.7 53 53 A P - 0 0 43 0, 0.0 20,-0.1 0, 0.0 5,-0.0 -0.307 50.4-110.7 -60.3 147.8 12.4 2.8 7.9 54 54 A L > - 0 0 40 -14,-0.1 3,-1.3 1,-0.1 5,-0.1 -0.683 37.7-114.4 -80.1 130.1 14.6 5.2 9.9 55 55 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -18,-0.1 -0.354 95.3 22.1 -67.6 144.3 12.5 8.2 10.9 56 56 A G T 3 S+ 0 0 51 1,-0.3 -19,-2.3 -20,-0.1 2,-0.3 0.378 107.4 93.4 85.0 -5.9 13.4 11.7 9.5 57 57 A R S < S- 0 0 20 -3,-1.3 2,-0.9 -21,-0.2 -1,-0.3 -0.872 82.2-119.2-115.2 153.7 15.1 10.1 6.5 58 58 A D E -c 39 0A 102 -20,-1.7 -18,-2.3 -2,-0.3 2,-0.5 -0.824 39.6-144.3 -91.2 105.2 13.7 9.3 3.1 59 59 A N E -c 40 0A 10 -2,-0.9 15,-2.6 13,-0.5 2,-0.4 -0.613 21.4-178.1 -80.9 124.1 14.2 5.5 3.1 60 60 A V E -ce 41 74A 2 -20,-2.6 -18,-2.8 -2,-0.5 2,-0.4 -0.975 7.3-164.9-123.9 128.1 15.1 3.8 -0.2 61 61 A V E -ce 42 75A 0 13,-3.2 15,-2.9 -2,-0.4 2,-0.7 -0.930 8.8-153.1-114.4 134.4 15.7 0.1 -0.8 62 62 A V E +ce 43 76A 35 -20,-2.8 -18,-0.6 -2,-0.4 2,-0.3 -0.901 41.3 129.7-107.2 105.8 17.3 -1.4 -3.9 63 63 A T - 0 0 21 13,-1.3 -2,-0.1 -2,-0.7 5,-0.0 -0.972 54.1-133.3-149.5 151.5 16.1 -5.0 -4.5 64 64 A G S S+ 0 0 50 -2,-0.3 2,-0.3 3,-0.0 13,-0.1 0.850 73.1 102.7 -78.9 -33.6 14.7 -6.7 -7.6 65 65 A N > - 0 0 95 1,-0.2 3,-1.3 2,-0.1 -2,-0.1 -0.270 54.9-160.3 -59.3 116.3 11.7 -8.3 -6.1 66 66 A R T 3 S+ 0 0 205 -2,-0.3 -1,-0.2 1,-0.3 9,-0.0 0.681 90.8 61.1 -70.9 -9.9 8.5 -6.4 -6.9 67 67 A S T 3 S+ 0 0 95 2,-0.0 2,-0.7 0, 0.0 -1,-0.3 0.614 80.9 92.8 -89.9 -13.8 6.7 -8.1 -4.0 68 68 A F < + 0 0 32 -3,-1.3 -5,-0.1 1,-0.1 -24,-0.0 -0.722 47.9 146.1 -79.4 113.5 9.2 -6.6 -1.5 69 69 A R - 0 0 193 -2,-0.7 3,-0.1 5,-0.0 -1,-0.1 -0.393 25.4-170.5-152.7 72.2 7.4 -3.5 -0.5 70 70 A P > - 0 0 30 0, 0.0 3,-1.0 0, 0.0 2,-0.1 -0.261 37.3 -98.6 -64.9 150.7 7.9 -2.4 3.1 71 71 A E T 3 S+ 0 0 180 1,-0.2 3,-0.1 -18,-0.0 -2,-0.0 -0.435 104.9 23.8 -69.5 144.0 5.7 0.4 4.3 72 72 A G T 3 S+ 0 0 65 1,-0.2 -13,-0.5 -2,-0.1 2,-0.3 0.709 101.8 103.3 77.8 21.7 7.3 3.8 4.2 73 73 A C < - 0 0 27 -3,-1.0 2,-0.5 -15,-0.1 -13,-0.2 -0.988 64.4-134.4-138.5 147.3 10.0 3.1 1.6 74 74 A L E -e 60 0A 75 -15,-2.6 -13,-3.2 -2,-0.3 2,-0.5 -0.825 29.0-155.6 -90.1 132.1 10.7 3.8 -2.0 75 75 A V E -e 61 0A 18 -2,-0.5 2,-0.5 -15,-0.2 -13,-0.2 -0.955 5.9-159.8-114.1 132.0 11.9 0.5 -3.7 76 76 A L E -e 62 0A 9 -15,-2.9 -13,-1.3 -2,-0.5 3,-0.0 -0.955 9.3-178.2-113.6 122.7 14.1 0.6 -6.8 77 77 A H + 0 0 56 -2,-0.5 2,-0.3 -15,-0.2 -1,-0.1 0.583 55.7 33.0 -98.0 -17.5 14.1 -2.7 -8.8 78 78 A S S > S- 0 0 55 1,-0.1 4,-2.7 -15,-0.0 5,-0.2 -0.934 77.4-109.1-140.3 164.7 16.4 -2.3 -11.7 79 79 A L H > S+ 0 0 161 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.875 122.5 53.3 -58.1 -34.7 19.6 -0.6 -12.8 80 80 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 108.2 48.3 -67.5 -43.5 17.3 1.6 -15.0 81 81 A E H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.904 112.0 49.4 -64.3 -40.5 15.1 2.6 -12.0 82 82 A V H X S+ 0 0 30 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.913 112.3 46.4 -67.4 -39.8 18.1 3.4 -9.8 83 83 A K H X S+ 0 0 127 -4,-2.0 4,-3.0 -5,-0.2 -1,-0.2 0.908 111.4 51.0 -70.5 -39.6 19.8 5.6 -12.4 84 84 A Q H X S+ 0 0 121 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.935 112.9 46.9 -63.3 -39.3 16.7 7.5 -13.3 85 85 A W H >< S+ 0 0 34 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.913 113.4 48.1 -66.4 -42.1 16.2 8.2 -9.5 86 86 A I H >< S+ 0 0 38 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.914 104.5 61.6 -61.2 -43.7 19.8 9.2 -9.1 87 87 A A H 3< S+ 0 0 84 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.775 104.1 48.0 -58.3 -27.7 19.5 11.5 -12.2 88 88 A S T << S+ 0 0 75 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.566 86.6 118.5 -90.2 -8.2 16.8 13.6 -10.6 89 89 A R < + 0 0 97 -3,-1.6 3,-0.1 -4,-0.5 -87,-0.1 -0.224 26.7 164.1 -64.5 147.8 18.6 14.1 -7.3 90 90 A A + 0 0 99 -89,-0.1 2,-0.1 2,-0.0 -1,-0.1 0.545 59.2 61.1-131.8 -32.7 19.6 17.5 -6.1 91 91 A D S S- 0 0 94 1,-0.1 2,-0.3 0, 0.0 -53,-0.0 -0.471 102.6 -74.6 -92.5 170.7 20.4 17.1 -2.3 92 92 A E - 0 0 32 -2,-0.1 -53,-0.5 -90,-0.1 2,-0.4 -0.508 49.4-157.4 -68.3 127.7 23.1 14.8 -0.9 93 93 A V E -a 2 0A 4 -92,-2.1 -90,-3.1 -2,-0.3 2,-0.6 -0.882 3.0-145.9-106.8 136.9 22.1 11.1 -1.0 94 94 A F E -ad 3 40A 2 -55,-2.6 -53,-3.0 -2,-0.4 2,-0.6 -0.890 6.6-158.9-111.7 117.3 23.6 8.5 1.3 95 95 A I E -ad 4 41A 4 -92,-3.1 -90,-2.0 -2,-0.6 -53,-0.2 -0.779 19.5-179.7 -82.8 119.4 24.2 4.9 0.3 96 96 A I E - 0 0 21 -55,-2.9 2,-0.3 -2,-0.6 -54,-0.2 0.517 39.2 -21.4-106.6 -1.8 24.3 3.2 3.7 97 97 A G E + d 0 42A 3 -56,-0.8 -54,-1.7 1,-0.2 -1,-0.3 -0.822 60.5 100.7 160.0 161.5 25.0 -0.4 3.1 98 98 A G > - 0 0 24 -2,-0.3 4,-3.0 -56,-0.2 5,-0.3 0.358 52.6-126.3 112.7 115.8 25.3 -3.7 1.9 99 99 A A H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.917 115.5 54.7 -49.4 -39.1 28.9 -4.5 0.8 100 100 A E H > S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 109.3 42.5 -62.7 -46.0 27.2 -5.4 -2.4 101 101 A L H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.864 111.3 56.2 -68.7 -36.7 25.4 -2.1 -2.9 102 102 A F H X S+ 0 0 3 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.934 111.6 44.9 -58.4 -43.8 28.6 -0.2 -1.9 103 103 A R H < S+ 0 0 139 -4,-2.4 3,-0.3 -5,-0.3 -2,-0.2 0.937 111.8 51.0 -66.3 -45.9 30.4 -2.0 -4.6 104 104 A A H < S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.876 119.2 36.5 -60.4 -36.2 27.7 -1.5 -7.2 105 105 A T H >X S+ 0 0 12 -4,-2.5 3,-2.0 1,-0.2 4,-0.7 0.542 81.9 101.6 -98.5 -7.5 27.6 2.2 -6.5 106 106 A M G >< S+ 0 0 30 -4,-1.4 3,-1.3 -3,-0.3 -1,-0.2 0.897 81.2 57.2 -45.0 -43.8 31.2 3.2 -5.9 107 107 A P G 34 S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.771 107.2 44.3 -66.8 -18.0 31.5 4.5 -9.4 108 108 A I G <4 S+ 0 0 74 -3,-2.0 -106,-0.4 -4,-0.1 2,-0.3 0.422 96.9 95.8-101.4 5.3 28.6 7.1 -9.2 109 109 A V << - 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