==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 03-FEB-11 3QLX . COMPND 2 MOLECULE: STRAIN CBS138 CHROMOSOME J COMPLETE SEQUENCE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA GLABRATA; . AUTHOR J.L.PAULSEN,S.D.BENDEL,A.C.ANDERSON . 450 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 38 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 4 2 2 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 4 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 . 4 2 4 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 3 A K 0 0 202 0, 0.0 103,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -14.7 3.6 -8.6 -19.2 2 4 A V - 0 0 18 113,-0.0 113,-0.1 1,-0.0 112,-0.1 -0.843 360.0-112.4 -83.5 124.6 4.6 -9.7 -15.7 3 5 A P - 0 0 45 0, 0.0 113,-2.6 0, 0.0 2,-0.6 -0.351 23.6-144.1 -59.1 136.2 4.3 -6.7 -13.2 4 6 A V E -a 116 0A 7 111,-0.2 129,-3.0 127,-0.2 130,-1.4 -0.932 22.3-173.6-106.1 119.2 7.7 -5.5 -11.9 5 7 A V E -ab 117 134A 0 111,-3.3 113,-2.4 -2,-0.6 2,-0.3 -0.955 18.5-148.9-125.2 116.9 7.4 -4.4 -8.3 6 8 A G E -ab 118 135A 0 128,-2.3 130,-3.9 -2,-0.5 2,-0.4 -0.661 18.1-169.7 -75.3 135.5 9.9 -2.7 -6.1 7 9 A I E + b 0 136A 3 111,-2.2 2,-0.3 -2,-0.3 130,-0.2 -0.991 17.5 149.8-133.9 125.1 9.5 -3.6 -2.5 8 10 A V E - b 0 137A 6 128,-2.6 130,-2.6 -2,-0.4 2,-0.5 -0.960 41.0-134.0-153.6 152.0 11.4 -1.8 0.3 9 11 A A E - b 0 138A 15 -2,-0.3 2,-0.4 128,-0.2 130,-0.2 -0.995 34.9-178.8-112.8 119.3 11.2 -0.7 3.9 10 12 A A E - b 0 139A 0 128,-3.4 130,-3.4 -2,-0.5 2,-0.6 -0.973 24.8-132.9-127.5 137.6 12.3 3.0 4.3 11 13 A L E >> -Cb 16 140A 2 5,-2.9 4,-1.6 -2,-0.4 5,-1.5 -0.762 44.5 -96.5 -86.2 124.6 12.7 5.4 7.3 12 14 A L T 45S+ 0 0 3 128,-2.8 179,-0.0 -2,-0.6 -1,-0.0 -0.421 90.2 20.4 -77.0 157.0 11.3 8.8 6.8 13 15 A P T 45S+ 0 0 53 0, 0.0 -1,-0.3 0, 0.0 128,-0.0 -0.993 135.1 26.9 -88.0 -14.8 12.0 11.6 6.0 14 16 A E T 45S- 0 0 37 -3,-0.2 143,-0.3 435,-0.1 -2,-0.2 0.550 97.9-125.2 -83.7 -10.9 15.3 10.7 4.2 15 17 A M T <5 - 0 0 1 -4,-1.6 140,-3.1 1,-0.2 2,-0.2 0.926 38.1-176.2 62.6 48.9 14.1 7.1 3.2 16 18 A G E < +CD 11 154A 0 -5,-1.5 -5,-2.9 138,-0.2 138,-0.3 -0.555 14.6 171.6 -75.7 139.7 17.1 5.4 4.7 17 19 A I E + 0 0 16 136,-2.5 2,-0.3 1,-0.2 137,-0.2 0.456 55.1 23.2-126.3 -14.3 17.0 1.6 4.1 18 20 A G E - D 0 153A 9 135,-1.3 134,-2.8 5,-0.2 135,-1.1 -0.989 44.3-164.9-155.1 159.7 20.4 0.3 5.3 19 21 A F B > S-L 22 0B 46 3,-2.9 3,-2.1 -2,-0.3 132,-0.1 -0.941 79.1 -17.3-151.4 124.9 23.5 0.7 7.5 20 22 A Q T 3 S- 0 0 146 -2,-0.3 3,-0.1 1,-0.3 131,-0.0 0.800 128.6 -46.1 49.8 43.4 26.8 -1.1 7.2 21 23 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.430 124.2 78.9 88.6 0.8 25.4 -4.0 5.1 22 24 A N B < S-L 19 0B 101 -3,-2.1 -3,-2.9 38,-0.0 -1,-0.2 -0.878 87.8 -84.2-134.8 166.7 22.3 -4.6 7.2 23 25 A L - 0 0 99 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.422 34.2-133.8 -65.6 143.0 18.8 -3.3 7.9 24 26 A P S S+ 0 0 23 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.451 87.1 31.1 -81.0 -1.1 18.8 -0.4 10.6 25 27 A W - 0 0 19 124,-0.1 2,-0.4 2,-0.1 -2,-0.1 -0.925 69.1-137.1-144.3 168.1 16.0 -2.0 12.5 26 28 A R + 0 0 216 -2,-0.3 2,-0.5 4,-0.0 0, 0.0 -0.926 30.4 167.5-131.5 100.1 14.6 -5.5 13.2 27 29 A L >> - 0 0 6 -2,-0.4 4,-2.4 1,-0.1 3,-0.7 -0.941 20.8-164.8-121.7 107.1 10.8 -5.6 12.9 28 30 A A H 3> S+ 0 0 63 -2,-0.5 4,-2.0 1,-0.3 -1,-0.1 0.850 89.7 52.6 -62.6 -32.4 9.2 -9.0 12.8 29 31 A K H 3> S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.728 109.0 48.7 -79.0 -24.2 5.9 -7.7 11.5 30 32 A E H <> S+ 0 0 19 -3,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.890 110.5 51.0 -78.5 -45.5 7.5 -5.9 8.6 31 33 A M H X S+ 0 0 98 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.875 109.5 53.4 -46.1 -47.4 9.6 -9.0 7.7 32 34 A K H X S+ 0 0 93 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.950 108.3 47.7 -59.6 -53.8 6.2 -10.9 7.8 33 35 A Y H X S+ 0 0 9 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.942 114.7 46.6 -46.1 -56.0 4.6 -8.5 5.4 34 36 A F H X S+ 0 0 36 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.931 114.1 48.3 -58.5 -46.5 7.6 -8.8 3.0 35 37 A R H X S+ 0 0 117 -4,-3.1 4,-1.7 1,-0.2 5,-0.2 0.956 116.2 42.6 -56.8 -51.1 7.7 -12.6 3.3 36 38 A E H X S+ 0 0 48 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.923 114.3 48.8 -66.2 -47.5 4.0 -12.9 2.7 37 39 A V H < S+ 0 0 0 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.940 117.3 40.9 -59.1 -49.8 3.7 -10.4 -0.2 38 40 A T H < S+ 0 0 0 -4,-2.3 10,-0.3 -5,-0.3 -1,-0.2 0.725 122.0 42.1 -70.7 -27.1 6.6 -11.8 -2.1 39 41 A T H < S+ 0 0 39 -4,-1.7 9,-0.3 -5,-0.3 -2,-0.2 0.932 98.6 78.4 -83.2 -53.6 5.7 -15.5 -1.4 40 42 A L < - 0 0 55 -4,-2.8 2,-0.3 -5,-0.2 3,-0.1 -0.158 56.3-173.1 -66.9 149.3 2.0 -15.5 -1.9 41 43 A T - 0 0 30 1,-0.1 137,-0.1 5,-0.1 3,-0.1 -0.948 32.0-136.2-133.9 155.8 0.2 -15.6 -5.3 42 44 A N S S+ 0 0 93 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.821 101.0 59.5 -74.4 -34.2 -3.4 -15.4 -6.5 43 45 A D S > S- 0 0 54 1,-0.1 3,-2.7 -3,-0.1 -1,-0.2 -0.851 77.6-153.1-102.2 110.8 -2.7 -18.2 -8.9 44 46 A N T 3 S+ 0 0 155 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.544 92.0 57.9 -59.5 -16.9 -1.6 -21.3 -6.9 45 47 A S T 3 S+ 0 0 59 2,-0.0 -1,-0.3 68,-0.0 2,-0.2 0.363 98.1 75.4 -96.6 0.6 0.4 -22.8 -9.8 46 48 A K < - 0 0 53 -3,-2.7 2,-0.3 67,-0.0 67,-0.2 -0.674 60.7-158.3-104.4 162.7 2.6 -19.7 -10.1 47 49 A Q E -e 113 0A 75 65,-1.8 67,-2.1 -2,-0.2 68,-0.3 -0.892 18.9-121.0-125.0 164.5 5.6 -18.4 -8.1 48 50 A N E - 0 0 0 21,-0.5 23,-2.2 -2,-0.3 2,-0.3 -0.725 20.2-129.7 -95.2 157.6 7.0 -14.9 -7.8 49 51 A V E -ef 116 71A 0 66,-2.6 68,-2.7 -2,-0.3 2,-0.4 -0.803 13.9-158.9 -98.0 145.3 10.6 -14.0 -8.6 50 52 A V E -ef 117 72A 0 21,-3.1 23,-2.7 -2,-0.3 2,-0.4 -0.990 8.2-165.9-120.4 124.9 12.7 -12.0 -6.2 51 53 A I E +ef 118 73A 0 66,-3.0 68,-2.4 -2,-0.4 69,-0.6 -0.894 13.8 167.6-110.0 141.6 15.7 -10.2 -7.6 52 54 A M E -ef 120 74A 0 21,-2.0 23,-2.4 -2,-0.4 69,-0.2 -0.998 35.6-105.0-153.4 144.9 18.5 -8.8 -5.5 53 55 A G E > - f 0 75A 7 67,-2.4 4,-2.2 -2,-0.3 3,-0.4 -0.321 40.6-108.4 -63.3 157.9 22.0 -7.3 -5.7 54 56 A R H > S+ 0 0 94 21,-1.6 4,-2.1 1,-0.2 5,-0.1 0.865 118.1 54.8 -53.8 -41.6 25.0 -9.5 -4.6 55 57 A K H > S+ 0 0 145 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.869 107.7 48.6 -71.6 -32.2 25.5 -7.5 -1.5 56 58 A T H >> S+ 0 0 37 -3,-0.4 3,-0.9 2,-0.2 4,-0.9 0.915 108.3 54.6 -69.6 -38.7 22.0 -8.0 -0.3 57 59 A W H >< S+ 0 0 36 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.924 107.3 51.6 -54.8 -45.3 22.2 -11.7 -1.0 58 60 A E H 3< S+ 0 0 106 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.655 102.3 60.7 -69.5 -21.0 25.3 -11.8 1.2 59 61 A S H << S+ 0 0 47 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.668 83.5 94.3 -79.3 -21.1 23.4 -10.0 4.0 60 62 A I S << S- 0 0 25 -3,-1.1 5,-0.1 -4,-0.9 -38,-0.0 -0.581 90.2-104.7 -74.0 132.3 20.8 -12.8 4.3 61 63 A P >> - 0 0 72 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.288 29.1-119.2 -55.1 138.6 21.6 -15.4 7.0 62 64 A Q G >4 S+ 0 0 159 1,-0.3 3,-0.7 2,-0.2 -2,-0.1 0.786 111.9 57.0 -50.5 -34.2 22.9 -18.6 5.4 63 65 A K G 34 S+ 0 0 194 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.750 107.1 48.0 -64.4 -31.8 20.0 -20.6 6.9 64 66 A F G <4 S+ 0 0 136 -3,-2.0 -1,-0.2 3,-0.1 -2,-0.2 0.399 91.9 124.8-101.8 3.7 17.3 -18.4 5.4 65 67 A R << + 0 0 57 -3,-0.7 2,-0.2 -4,-0.5 -8,-0.0 -0.946 54.0 38.3-125.1 142.9 18.6 -18.2 1.8 66 68 A P S S- 0 0 44 0, 0.0 3,-0.1 0, 0.0 24,-0.1 0.508 101.0-113.1 -72.5 150.9 17.6 -18.8 -0.9 67 69 A L > - 0 0 20 -2,-0.2 3,-1.1 1,-0.1 -2,-0.1 -0.408 41.3-110.0 -54.4 120.2 14.2 -17.3 0.2 68 70 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.160 89.2 8.8 -55.9 139.6 11.8 -20.3 0.2 69 71 A K T 3 S+ 0 0 155 1,-0.1 -21,-0.5 -3,-0.1 2,-0.3 0.540 108.5 90.7 72.0 12.0 9.0 -20.7 -2.4 70 72 A R S < S- 0 0 14 -3,-1.1 2,-0.4 -23,-0.1 -21,-0.2 -0.992 84.3-109.4-128.7 145.4 10.2 -17.8 -4.6 71 73 A I E -f 49 0A 35 -23,-2.2 -21,-3.1 -2,-0.3 2,-0.5 -0.607 38.4-146.4 -69.4 118.6 12.6 -17.9 -7.6 72 74 A N E -fg 50 90A 0 17,-1.7 19,-3.2 -2,-0.4 2,-0.5 -0.842 16.9-174.5 -91.8 126.8 15.8 -16.2 -6.3 73 75 A V E -fg 51 91A 0 -23,-2.7 -21,-2.0 -2,-0.5 2,-0.5 -0.991 3.6-167.4-120.4 124.8 17.8 -14.2 -8.8 74 76 A V E -fg 52 92A 1 17,-2.6 19,-2.4 -2,-0.5 2,-0.5 -0.963 9.9-151.2-109.9 127.9 21.2 -12.7 -7.6 75 77 A V E +fg 53 93A 14 -23,-2.4 -21,-1.6 -2,-0.5 2,-0.3 -0.879 25.0 155.0-106.5 133.8 22.9 -10.1 -9.8 76 78 A S > - 0 0 19 17,-2.2 3,-1.3 -2,-0.5 -2,-0.0 -0.978 44.9-133.1-150.5 138.6 26.6 -9.5 -9.9 77 79 A R T 3 S+ 0 0 55 -2,-0.3 17,-0.1 1,-0.2 -1,-0.0 0.684 107.8 60.0 -66.3 -16.1 28.8 -8.0 -12.7 78 80 A S T 3 S+ 0 0 102 15,-0.1 -1,-0.2 -3,-0.0 16,-0.1 0.451 83.8 102.5 -91.7 -5.3 31.2 -11.0 -12.2 79 81 A F S < S- 0 0 46 -3,-1.3 3,-0.0 14,-0.2 -4,-0.0 -0.243 76.8-118.1 -77.3 176.3 28.5 -13.6 -13.0 80 82 A D S S- 0 0 117 1,-0.1 2,-0.2 4,-0.1 -1,-0.1 0.810 70.8 -1.3 -99.0 -38.4 28.5 -15.3 -16.4 81 83 A G S S- 0 0 26 11,-0.1 13,-1.8 3,-0.1 3,-0.3 -0.836 78.1 -82.7-149.5-174.0 25.3 -14.6 -18.4 82 84 A E S S- 0 0 92 1,-0.3 13,-0.2 -2,-0.2 2,-0.2 0.732 112.0 -2.8 -79.1 -19.1 21.9 -12.9 -18.4 83 85 A L S S+ 0 0 52 10,-0.1 2,-0.4 19,-0.1 -1,-0.3 -0.617 74.4 164.3-171.4 110.2 20.1 -15.6 -16.5 84 86 A R E -H 92 0A 132 8,-2.6 8,-3.5 -3,-0.3 2,-0.4 -0.987 34.6-127.0-138.1 127.3 21.6 -18.9 -15.4 85 87 A K E +H 91 0A 113 -2,-0.4 6,-0.2 6,-0.3 3,-0.1 -0.636 31.4 166.8 -71.6 122.6 20.5 -21.6 -12.9 86 88 A V E - 0 0 56 4,-2.5 2,-0.3 -2,-0.4 5,-0.2 0.583 64.9 -9.7-109.6 -14.8 23.3 -22.3 -10.5 87 89 A E E > S-H 90 0A 128 3,-1.5 3,-2.3 0, 0.0 -1,-0.4 -0.969 95.3 -56.1-169.0 167.4 21.4 -24.2 -7.8 88 90 A D T 3 S+ 0 0 127 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.354 126.9 1.4 -56.5 122.2 17.9 -25.2 -6.7 89 91 A G T 3 S+ 0 0 35 1,-0.1 -17,-1.7 -2,-0.1 2,-0.5 0.467 114.4 104.5 80.2 0.8 16.0 -22.0 -6.3 90 92 A I E < +gH 72 87A 15 -3,-2.3 -4,-2.5 -19,-0.1 -3,-1.5 -0.948 41.9 178.0-126.3 121.3 19.0 -19.8 -7.4 91 93 A Y E -gH 73 85A 76 -19,-3.2 -17,-2.6 -2,-0.5 2,-0.4 -0.894 15.9-149.2-112.2 140.4 19.6 -18.0 -10.6 92 94 A H E +gH 74 84A 46 -8,-3.5 -8,-2.6 -2,-0.4 2,-0.3 -0.903 16.5 179.4-105.3 138.4 22.7 -15.9 -11.3 93 95 A S E -g 75 0A 0 -19,-2.4 -17,-2.2 -2,-0.4 -11,-0.2 -0.999 27.1-156.7-136.5 143.5 22.6 -12.9 -13.6 94 96 A N S S+ 0 0 13 -13,-1.8 2,-0.3 -2,-0.3 -12,-0.1 0.261 84.9 45.3 -96.0 15.5 25.3 -10.4 -14.7 95 97 A S > - 0 0 3 -13,-0.2 4,-2.6 -14,-0.2 5,-0.2 -0.846 59.5-155.4-164.3 113.8 22.7 -7.7 -15.6 96 98 A L H > S+ 0 0 9 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.940 101.0 45.7 -50.8 -52.9 19.6 -6.4 -13.8 97 99 A R H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 115.0 44.7 -62.6 -46.8 18.0 -5.2 -17.2 98 100 A N H > S+ 0 0 32 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.922 110.4 54.3 -70.5 -36.8 18.8 -8.4 -19.2 99 101 A C H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.912 108.0 51.2 -61.9 -36.1 17.7 -10.7 -16.5 100 102 A L H X S+ 0 0 13 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.906 110.6 48.3 -65.6 -41.3 14.3 -8.8 -16.4 101 103 A T H X S+ 0 0 95 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.890 112.8 49.1 -63.3 -39.2 14.0 -9.2 -20.2 102 104 A A H >< S+ 0 0 20 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.928 108.9 51.6 -67.1 -42.6 14.8 -12.9 -19.8 103 105 A L H 3< S+ 0 0 15 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.823 104.7 58.8 -63.6 -30.5 12.2 -13.4 -17.0 104 106 A Q H 3< S+ 0 0 50 -4,-1.5 2,-0.5 -5,-0.2 -1,-0.2 0.638 75.5 109.5 -76.6 -14.9 9.5 -11.8 -19.2 105 107 A S S+ 0 0 39 -2,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.708 92.6 60.3 -70.5 -17.2 6.7 -16.4 -21.8 107 109 A L H 4 S+ 0 0 158 2,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.925 112.5 36.4 -68.1 -48.1 8.6 -19.2 -23.7 108 110 A A H 4 S+ 0 0 77 -6,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.900 127.2 36.7 -67.4 -42.1 11.2 -19.4 -20.8 109 111 A N H >< S- 0 0 20 -4,-2.8 3,-2.9 -7,-0.2 -3,-0.2 0.495 89.5-142.2 -99.2 -10.2 8.7 -18.8 -18.0 110 112 A E T 3< - 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