==== 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 TRANSCRIPTION 01-FEB-01 1I1G . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR LRPA; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR P.M.LEONARD,S.H.J.SMITS,S.E.SEDELNIKOVA,A.B.BRINKMAN,W.M.DE . 280 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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-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 . 25 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.9 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 0 2 0 4 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 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 . 0 1 0 0 1 0 4 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 . 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 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 2 A I 0 0 109 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.5 -30.2 -19.9 -18.8 2 3 A D - 0 0 73 1,-0.1 4,-0.1 3,-0.1 0, 0.0 -0.111 360.0-112.6 -42.8 150.8 -33.6 -19.5 -19.3 3 4 A E S > S+ 0 0 140 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.720 117.9 54.6 -57.4 -51.1 -35.7 -17.3 -16.9 4 5 A R H > S+ 0 0 128 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.994 110.8 45.1 -53.1 -59.7 -37.6 -20.3 -15.6 5 6 A D H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.738 110.4 56.5 -56.3 -26.1 -34.2 -22.0 -14.7 6 7 A K H > S+ 0 0 80 2,-0.2 4,-2.4 3,-0.1 3,-0.4 0.956 109.7 43.1 -70.3 -61.1 -33.0 -18.8 -13.2 7 8 A I H X S+ 0 0 46 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.857 111.7 55.8 -41.2 -51.6 -36.0 -18.6 -10.8 8 9 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.949 109.7 45.3 -56.2 -45.3 -35.6 -22.4 -10.1 9 10 A L H X S+ 0 0 52 -4,-2.0 4,-2.8 -3,-0.4 -1,-0.2 0.896 111.4 53.5 -65.3 -33.3 -32.0 -21.8 -9.0 10 11 A E H X S+ 0 0 103 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.997 114.4 41.1 -57.5 -61.0 -33.0 -18.7 -6.9 11 12 A I H >X S+ 0 0 28 -4,-2.2 4,-2.1 2,-0.2 3,-1.4 0.921 116.0 48.1 -46.2 -65.3 -35.6 -20.7 -5.0 12 13 A L H >< S+ 0 0 12 -4,-3.0 3,-0.5 1,-0.3 -1,-0.2 0.985 108.2 55.5 -54.1 -51.4 -33.5 -23.9 -4.6 13 14 A E H 3< S+ 0 0 166 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.769 108.0 50.6 -53.9 -18.9 -30.5 -21.7 -3.4 14 15 A K H << S- 0 0 87 -3,-1.4 -1,-0.2 -4,-1.1 2,-0.2 0.864 140.2 -6.4 -86.9 -32.2 -32.9 -20.4 -0.7 15 16 A D X< - 0 0 70 -4,-2.1 3,-2.7 -3,-0.5 -1,-0.3 -0.757 64.2-163.7-159.8 98.2 -34.0 -23.9 0.4 16 17 A A T 3 S+ 0 0 51 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.373 89.4 63.4 -77.0 7.0 -32.7 -26.8 -1.7 17 18 A R T 3 + 0 0 213 -5,-0.2 -1,-0.3 2,-0.1 -5,-0.1 0.316 66.4 131.5 -96.8 -4.6 -35.3 -29.1 -0.3 18 19 A T < - 0 0 17 -3,-2.7 2,-0.2 -7,-0.2 -3,-0.0 -0.447 68.5-116.0 -51.6 127.1 -38.2 -27.0 -1.7 19 20 A P >> - 0 0 67 0, 0.0 3,-4.3 0, 0.0 4,-1.7 -0.484 13.2-118.6 -68.2 139.3 -40.1 -29.8 -3.3 20 21 A F H 3> S+ 0 0 72 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.914 115.3 61.6 -38.1 -57.3 -40.4 -29.8 -7.0 21 22 A T H 3> S+ 0 0 74 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.579 102.6 51.2 -41.6 -35.1 -44.1 -29.6 -6.7 22 23 A E H <> S+ 0 0 102 -3,-4.3 4,-2.1 2,-0.2 -1,-0.3 0.877 108.8 49.7 -79.7 -35.3 -43.6 -26.3 -4.9 23 24 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 -3,-0.4 6,-0.3 0.921 108.7 54.2 -56.8 -51.3 -41.5 -24.9 -7.6 24 25 A A H >X>S+ 0 0 6 -4,-2.4 3,-1.4 1,-0.3 4,-1.0 0.980 109.8 44.9 -51.2 -65.5 -44.0 -25.9 -10.2 25 26 A K H 3<5S+ 0 0 86 -4,-1.2 3,-0.4 1,-0.3 -1,-0.3 0.790 111.5 57.2 -51.5 -25.2 -46.9 -24.0 -8.5 26 27 A K H 3<5S+ 0 0 100 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.946 116.1 33.7 -71.6 -35.6 -44.4 -21.1 -8.1 27 28 A L H <<5S- 0 0 40 -4,-2.5 -1,-0.2 -3,-1.4 -2,-0.2 0.264 103.7-120.9 -92.3 -6.8 -43.8 -21.0 -11.8 28 29 A G T <5S+ 0 0 71 -4,-1.0 -3,-0.2 -3,-0.4 -4,-0.1 0.471 83.9 104.1 75.2 -5.3 -47.2 -21.9 -13.1 29 30 A I S - 0 0 57 1,-0.1 4,-3.1 -6,-0.1 5,-0.3 -0.680 23.5-106.0-122.4 169.1 -45.8 -28.5 -13.7 31 32 A E H > S+ 0 0 100 -2,-0.2 4,-3.7 1,-0.2 -1,-0.1 0.965 117.0 53.4 -51.9 -64.2 -43.9 -31.0 -11.5 32 33 A T H > S+ 0 0 111 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.824 113.1 45.4 -41.3 -48.3 -42.5 -33.0 -14.4 33 34 A A H > S+ 0 0 21 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.997 112.8 47.6 -59.8 -58.8 -41.1 -29.8 -15.9 34 35 A V H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.876 116.1 49.4 -51.4 -37.2 -39.7 -28.5 -12.6 35 36 A R H >X S+ 0 0 32 -4,-3.7 4,-2.2 -5,-0.3 3,-0.8 0.989 112.3 44.3 -58.8 -74.5 -38.3 -32.1 -12.4 36 37 A K H 3X S+ 0 0 58 -4,-3.3 4,-2.9 1,-0.3 -2,-0.2 0.732 114.8 49.9 -35.4 -53.1 -36.8 -32.1 -15.9 37 38 A R H 3X S+ 0 0 44 -4,-3.1 4,-3.1 2,-0.2 -1,-0.3 0.932 110.8 49.2 -49.3 -57.0 -35.3 -28.6 -15.5 38 39 A V H S+ 0 0 1 -4,-3.1 4,-3.3 -3,-0.3 5,-1.7 0.943 114.7 47.0 -65.3 -43.8 -29.3 -28.0 -14.5 42 43 A E H <5S+ 0 0 69 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.945 112.6 46.6 -58.0 -53.4 -27.7 -30.8 -12.4 43 44 A E H <5S+ 0 0 171 -4,-3.5 -2,-0.2 -5,-0.3 -1,-0.2 0.959 113.8 51.3 -58.7 -42.2 -26.5 -32.8 -15.4 44 45 A K H <5S- 0 0 147 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.989 113.9-117.9 -62.1 -54.5 -25.2 -29.6 -16.9 45 46 A G T <5S+ 0 0 38 -4,-3.3 -3,-0.2 -5,-0.2 3,-0.1 0.399 84.4 114.6 127.6 6.6 -23.2 -28.6 -13.8 46 47 A I S >>S+ 0 0 31 0, 0.0 5,-3.3 0, 0.0 3,-1.7 0.853 85.5 57.9 -55.7 -46.0 -19.3 -20.6 12.2 57 58 A K G >45S+ 0 0 71 1,-0.3 3,-1.3 3,-0.2 5,-0.1 0.956 108.2 47.5 -53.1 -52.1 -20.2 -18.6 15.4 58 59 A K G 345S+ 0 0 175 -3,-0.3 -1,-0.3 1,-0.2 -3,-0.1 0.476 109.2 53.2 -68.5 -0.5 -22.4 -21.5 16.7 59 60 A L G <45S- 0 0 110 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.345 125.5-106.7-105.0 -1.1 -19.6 -24.0 16.0 60 61 A G T <<5S+ 0 0 37 -3,-1.3 2,-1.5 -4,-0.5 -3,-0.2 0.641 77.8 138.5 88.9 21.7 -17.4 -21.7 18.0 61 62 A Y < + 0 0 66 -5,-3.3 47,-0.2 -6,-0.2 3,-0.2 -0.561 19.5 166.6 -96.8 75.9 -15.5 -20.4 15.0 62 63 A S + 0 0 72 -2,-1.5 2,-0.5 46,-0.7 46,-0.2 0.511 61.9 55.3 -69.8 -11.8 -15.4 -16.7 16.1 63 64 A L E -A 107 0A 38 44,-1.4 44,-1.8 -3,-0.1 2,-0.7 -0.680 60.8-177.7-126.3 85.9 -12.8 -15.5 13.6 64 65 A V E -A 106 0A 24 -2,-0.5 71,-2.1 71,-0.3 2,-0.5 -0.727 26.3-163.7 -72.4 113.8 -13.8 -16.3 10.1 65 66 A T E -AB 105 134A 0 40,-3.2 40,-2.9 -2,-0.7 2,-0.9 -0.923 27.7-146.7-117.3 126.2 -10.7 -14.9 8.4 66 67 A I E -AB 104 133A 60 67,-2.8 67,-1.7 -2,-0.5 2,-0.5 -0.706 32.9-164.1 -85.8 108.8 -9.9 -14.0 4.8 67 68 A T E -AB 103 132A 0 36,-2.8 36,-2.5 -2,-0.9 2,-0.3 -0.904 13.4-148.7-104.2 128.4 -6.3 -14.9 4.6 68 69 A G E -AB 102 131A 7 63,-3.9 63,-2.3 -2,-0.5 2,-0.4 -0.645 11.0-162.9 -84.2 144.6 -3.9 -13.8 2.0 69 70 A V E -AB 101 130A 0 32,-0.6 32,-1.6 -2,-0.3 61,-0.2 -0.872 1.3-165.6-132.5 108.3 -1.1 -16.2 1.1 70 71 A D E - B 0 129A 54 59,-3.2 58,-0.8 -2,-0.4 59,-0.8 -0.354 15.2-177.6 -83.3 166.5 1.9 -14.8 -0.8 71 72 A T E - B 0 127A 13 56,-0.3 56,-0.2 57,-0.2 5,-0.1 -0.930 40.6 -86.2-158.6 161.0 4.2 -17.5 -2.3 72 73 A K > - 0 0 83 54,-0.9 3,-2.3 -2,-0.3 4,-0.2 -0.711 51.8-118.0 -75.5 137.8 7.4 -17.6 -4.2 73 74 A P G > S+ 0 0 120 0, 0.0 3,-2.1 0, 0.0 2,-1.4 0.956 112.7 56.1 -41.5 -63.4 6.0 -17.3 -7.8 74 75 A E G 3 S+ 0 0 127 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.256 107.8 47.1 -41.9 -11.4 7.4 -20.7 -8.7 75 76 A K G <> S+ 0 0 66 -3,-2.3 4,-3.3 -2,-1.4 -1,-0.3 0.139 72.4 115.8-129.9 20.6 5.6 -22.5 -5.8 76 77 A L H <> S+ 0 0 31 -3,-2.1 4,-2.5 1,-0.2 -2,-0.1 0.930 83.5 39.2 -49.5 -61.7 2.1 -21.1 -6.2 77 78 A F H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 113.9 54.6 -65.8 -36.5 0.4 -24.4 -7.1 78 79 A E H > S+ 0 0 98 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.955 112.9 43.1 -64.3 -41.6 2.5 -26.4 -4.6 79 80 A V H >X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 3,-1.4 0.996 110.3 58.1 -61.8 -51.5 1.4 -24.1 -1.8 80 81 A A H 3X S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.784 104.7 48.9 -47.3 -43.0 -2.2 -24.1 -3.0 81 82 A E H 3X S+ 0 0 129 -4,-1.9 4,-1.6 2,-0.2 -1,-0.3 0.794 110.7 49.5 -73.1 -31.0 -2.7 -27.8 -2.8 82 83 A K H < S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.2 6,-0.2 0.920 108.4 57.5 -70.3 -38.6 -3.6 -25.2 1.8 84 85 A K H 3< S+ 0 0 160 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.957 102.3 57.4 -49.8 -45.6 -6.3 -27.1 -0.1 85 86 A E H 3< S+ 0 0 81 -4,-1.6 2,-0.4 -5,-0.1 -1,-0.2 0.725 84.2 93.0 -66.9 -28.9 -5.5 -30.1 2.2 86 87 A Y S X< S- 0 0 79 -4,-0.8 3,-1.6 -3,-0.8 34,-0.0 -0.657 70.7-141.1 -77.7 133.3 -6.2 -28.3 5.6 87 88 A D T 3 S+ 0 0 156 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.080 98.2 62.2 -64.0 -0.0 -9.6 -28.7 6.9 88 89 A F T 3 S+ 0 0 31 -5,-0.2 18,-1.9 1,-0.1 2,-1.0 0.440 80.5 84.9-112.0 -5.8 -9.6 -25.0 8.2 89 90 A V E < -C 105 0A 15 -3,-1.6 16,-0.2 -6,-0.2 3,-0.1 -0.915 61.6-178.6 -87.6 89.7 -9.2 -23.6 4.7 90 91 A K E + 0 0 92 14,-2.3 2,-0.2 -2,-1.0 15,-0.1 0.395 68.2 3.3 -77.5 -2.2 -13.0 -23.8 4.0 91 92 A E E - 0 0 96 13,-0.3 13,-2.0 2,-0.0 2,-0.4 -0.825 68.8-156.0-179.3 134.7 -12.5 -22.4 0.4 92 93 A L E -C 103 0A 46 -2,-0.2 2,-0.3 11,-0.2 11,-0.2 -0.998 11.6-179.2-124.8 128.1 -9.4 -21.5 -1.6 93 94 A Y - 0 0 101 9,-1.3 2,-0.4 -2,-0.4 9,-0.3 -0.968 27.6-137.4-130.7 155.3 -8.9 -19.1 -4.6 94 95 A L - 0 0 76 -2,-0.3 2,-0.3 7,-0.1 7,-0.2 -0.827 42.3-174.3 -94.3 132.5 -6.3 -17.9 -7.0 95 96 A S - 0 0 47 5,-1.3 7,-0.0 -2,-0.4 6,-0.0 -0.824 43.9-141.0-132.9 174.6 -6.8 -14.2 -7.3 96 97 A S S S+ 0 0 104 -2,-0.3 4,-0.1 141,-0.0 -1,-0.1 0.217 81.0 97.3-114.0 9.3 -5.6 -11.1 -9.2 97 98 A G S S- 0 0 39 2,-0.4 -2,-0.1 3,-0.2 141,-0.0 0.088 103.2 -61.9 -78.7-160.1 -5.9 -9.2 -5.9 98 99 A D S S+ 0 0 139 2,-0.0 2,-0.4 1,-0.0 3,-0.1 0.663 124.6 33.1 -68.0 -32.0 -2.9 -8.5 -3.6 99 100 A H S S- 0 0 38 2,-0.2 -2,-0.4 1,-0.2 -29,-0.1 -0.982 73.0-142.2-119.1 135.9 -2.1 -12.1 -2.8 100 101 A M S S+ 0 0 98 -2,-0.4 -5,-1.3 -31,-0.2 -1,-0.2 0.980 88.5 61.4 -65.6 -57.7 -2.6 -14.8 -5.3 101 102 A I E -A 69 0A 1 -32,-1.6 -32,-0.6 -7,-0.2 -2,-0.2 -0.214 65.7-177.5 -69.0 159.8 -3.8 -17.4 -2.7 102 103 A M E -A 68 0A 57 -9,-0.3 -9,-1.3 -34,-0.2 2,-0.3 -0.531 2.3-175.2-159.4 95.8 -7.0 -16.4 -0.9 103 104 A A E -AC 67 92A 0 -36,-2.5 -36,-2.8 -11,-0.2 2,-0.8 -0.649 22.9-147.7 -98.7 141.1 -8.2 -18.7 1.8 104 105 A V E -A 66 0A 16 -13,-2.0 -14,-2.3 -2,-0.3 -13,-0.3 -0.936 36.4-173.4-103.9 92.5 -11.4 -18.3 3.8 105 106 A I E -AC 65 89A 1 -40,-2.9 -40,-3.2 -2,-0.8 2,-0.6 -0.718 23.2-147.2 -97.4 151.2 -10.2 -19.8 7.0 106 107 A W E +A 64 0A 28 -18,-1.9 -42,-0.2 -2,-0.3 2,-0.2 -0.858 25.4 165.3-112.9 103.7 -12.1 -20.6 10.2 107 108 A A E -A 63 0A 0 -44,-1.8 -44,-1.4 -2,-0.6 3,-0.1 -0.591 34.7-136.5-104.4 169.9 -10.1 -20.3 13.4 108 109 A K S S- 0 0 92 1,-0.4 -46,-0.7 -47,-0.2 2,-0.3 0.607 75.7 -8.8-104.5 -16.8 -11.8 -20.2 16.8 109 110 A D S >> S- 0 0 75 -46,-0.1 4,-3.3 1,-0.1 3,-0.7 -0.985 79.1 -83.7-166.9 165.4 -9.8 -17.3 18.3 110 111 A G H 3> S+ 0 0 45 -2,-0.3 4,-3.5 1,-0.3 5,-0.3 0.921 129.1 47.6 -43.3 -47.3 -6.9 -14.9 18.0 111 112 A E H 3> S+ 0 0 62 2,-0.2 4,-2.1 3,-0.2 -1,-0.3 0.909 112.9 49.1 -70.5 -28.6 -4.6 -17.6 19.4 112 113 A D H <> S+ 0 0 35 -3,-0.7 4,-2.8 2,-0.2 5,-0.3 0.988 113.8 45.7 -69.8 -48.7 -6.1 -20.2 17.1 113 114 A L H X S+ 0 0 13 -4,-3.3 4,-3.6 1,-0.2 -2,-0.2 0.930 115.2 47.2 -51.2 -57.8 -5.6 -17.8 14.1 114 115 A A H X S+ 0 0 60 -4,-3.5 4,-1.8 -5,-0.2 -1,-0.2 0.806 114.7 47.8 -54.5 -38.1 -2.1 -17.0 15.2 115 116 A E H X>S+ 0 0 114 -4,-2.1 4,-3.6 -5,-0.3 5,-0.8 0.991 114.3 44.4 -62.8 -66.4 -1.4 -20.8 15.7 116 117 A I H X>S+ 0 0 12 -4,-2.8 5,-2.7 2,-0.2 4,-1.3 0.908 113.0 53.8 -43.2 -52.9 -2.8 -21.8 12.3 117 118 A I H <>S+ 0 0 33 -4,-3.6 5,-3.7 -5,-0.3 6,-0.2 0.949 122.8 23.7 -53.1 -63.2 -1.0 -19.0 10.6 118 119 A S H <5S+ 0 0 53 -4,-1.8 -1,-0.3 3,-0.2 -2,-0.2 0.585 129.8 38.9 -75.6 -35.7 2.4 -19.7 11.9 119 120 A N H <5S+ 0 0 91 -4,-3.6 -3,-0.2 3,-0.1 -2,-0.1 0.801 132.7 17.8 -90.2 -33.1 2.3 -23.4 12.7 120 121 A K T < > - 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