==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR/DNA 22-APR-05 1ZGW . COMPND 2 MOLECULE: ADA POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.HE,J.C.HUS,L.J.SUN,P.ZHOU,D.P.NORMAN,V.DOETSCH,H.WEI, . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.7 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 . 6 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.9 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 1 1 0 0 2 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 196 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.4 2.7 13.4 27.3 2 2 A K + 0 0 169 1,-0.2 2,-0.4 9,-0.0 6,-0.1 0.932 360.0 176.9 51.6 91.8 2.3 12.8 23.5 3 3 A K - 0 0 149 4,-0.1 -1,-0.2 8,-0.0 0, 0.0 -0.960 18.0-153.5-132.2 121.1 5.9 12.1 22.4 4 4 A A S S- 0 0 56 -2,-0.4 2,-3.6 1,-0.2 4,-0.2 0.280 70.5 -40.0 -67.8-154.6 6.9 11.2 18.8 5 5 A T S S- 0 0 141 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 -0.034 112.5 -62.8 -65.7 44.2 10.1 9.2 18.1 6 6 A C S S+ 0 0 109 -2,-3.6 -1,-0.2 50,-0.0 -3,-0.0 0.865 131.9 69.0 79.5 36.3 11.8 11.3 20.9 7 7 A L + 0 0 63 20,-0.0 2,-2.6 49,-0.0 3,-0.2 -0.026 44.5 169.3 179.8 64.0 11.4 14.6 19.1 8 8 A T >> + 0 0 25 1,-0.2 4,-3.5 -4,-0.2 3,-1.3 -0.377 12.4 177.7 -80.6 63.9 7.9 16.1 18.6 9 9 A D H 3> S+ 0 0 57 -2,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.819 75.9 65.1 -39.6 -31.6 9.5 19.4 17.4 10 10 A D H 3> S+ 0 0 85 -3,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.977 114.4 26.6 -60.0 -52.8 5.9 20.4 17.0 11 11 A Q H <> S+ 0 0 69 -3,-1.3 4,-3.1 2,-0.2 5,-0.3 0.851 112.8 67.4 -81.7 -27.3 5.1 20.3 20.7 12 12 A R H X S+ 0 0 30 -4,-3.5 4,-2.7 1,-0.3 5,-0.2 0.965 104.2 47.3 -53.1 -43.0 8.8 20.9 21.6 13 13 A W H X S+ 0 0 24 -4,-2.6 4,-2.7 -5,-0.3 5,-0.4 0.936 106.6 54.8 -62.8 -40.8 7.9 24.3 20.1 14 14 A Q H X S+ 0 0 86 -4,-1.4 4,-1.9 1,-0.3 -1,-0.3 0.889 111.5 46.6 -60.1 -29.7 4.8 24.3 22.2 15 15 A S H X>S+ 0 0 6 -4,-3.1 5,-2.0 2,-0.2 4,-0.6 0.853 109.9 53.1 -76.8 -34.5 7.2 23.7 25.1 16 16 A V H <5S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.835 117.8 36.3 -70.0 -31.1 9.5 26.5 23.7 17 17 A L H <5S+ 0 0 86 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.795 117.1 51.7 -90.3 -32.2 6.7 28.9 23.7 18 18 A A H <5S- 0 0 43 -4,-1.9 -2,-0.2 -5,-0.4 -3,-0.2 0.522 103.3-134.3 -80.2 -5.1 5.1 27.5 26.8 19 19 A R T <5 - 0 0 154 21,-0.9 22,-0.3 -4,-0.6 -3,-0.2 0.887 32.4-174.0 51.9 40.5 8.5 27.9 28.5 20 20 A D >>< - 0 0 53 -5,-2.0 3,-2.1 20,-0.3 4,-0.7 -0.545 20.6-156.6 -69.7 110.2 8.1 24.4 29.9 21 21 A P T 34 S+ 0 0 50 0, 0.0 60,-0.2 0, 0.0 -1,-0.2 0.386 90.6 68.9 -67.8 6.4 11.1 23.9 32.3 22 22 A N T 34 S+ 0 0 102 1,-0.1 -2,-0.1 -7,-0.1 56,-0.0 0.574 101.3 41.6-102.2 -11.5 10.4 20.2 31.7 23 23 A A T <> S+ 0 0 4 -3,-2.1 4,-1.9 -8,-0.1 2,-0.4 0.458 90.7 105.2-108.9 -5.9 11.6 20.3 28.1 24 24 A D B < S+a 27 0A 0 -4,-0.7 54,-0.2 1,-0.2 56,-0.1 -0.608 90.6 17.9 -75.2 124.8 14.4 22.6 28.9 25 25 A G T 4 S+ 0 0 36 2,-0.7 -1,-0.2 -2,-0.4 33,-0.1 -0.099 114.3 77.0 101.0 -35.6 17.6 20.5 28.8 26 26 A E T 4 S- 0 0 106 -3,-0.3 2,-0.3 1,-0.2 -2,-0.2 0.921 112.5 -12.4 -73.2 -42.3 15.7 17.9 26.7 27 27 A F B < -a 24 0A 4 -4,-1.9 -2,-0.7 -15,-0.1 2,-0.3 -0.961 59.1-142.9-151.3 170.7 16.0 19.9 23.5 28 28 A V E -B 55 0B 5 27,-1.7 27,-1.5 -2,-0.3 2,-0.5 -0.782 15.7-131.1-126.7 175.5 16.8 23.4 22.2 29 29 A F E -BC 54 38B 0 9,-3.0 9,-2.5 -2,-0.3 2,-0.7 -0.966 13.8-156.4-137.9 120.4 15.4 25.5 19.4 30 30 A A E -BC 53 37B 0 23,-2.0 23,-1.8 -2,-0.5 2,-0.9 -0.833 2.5-157.8-101.1 115.0 17.5 27.1 16.8 31 31 A V E >>> -BC 52 36B 0 5,-2.5 4,-2.0 -2,-0.7 5,-1.9 -0.766 2.2-166.4 -89.1 108.3 16.2 30.2 15.0 32 32 A R T 345S+ 0 0 172 19,-3.3 -1,-0.2 -2,-0.9 20,-0.1 0.740 83.3 72.1 -67.9 -20.0 18.2 30.4 11.7 33 33 A T T 345S+ 0 0 93 18,-0.4 -1,-0.2 1,-0.2 19,-0.1 0.848 118.4 17.7 -64.5 -31.1 16.9 33.9 11.2 34 34 A T T <45S- 0 0 76 -3,-1.0 -2,-0.2 17,-0.2 -1,-0.2 0.515 104.4-121.2-115.4 -12.2 19.2 35.0 14.1 35 35 A G T <5S+ 0 0 16 -4,-2.0 32,-3.5 1,-0.3 2,-0.3 0.860 73.2 119.6 74.3 33.3 21.6 32.0 14.1 36 36 A I E < -Cd 31 67B 38 -5,-1.9 -5,-2.5 30,-0.2 2,-0.4 -0.863 48.0-158.1-125.1 165.7 20.7 31.2 17.7 37 37 A F E +Cd 30 68B 7 30,-0.7 32,-0.9 -7,-0.3 -7,-0.3 -0.948 17.8 178.8-145.9 118.3 19.2 28.3 19.6 38 38 A X E -C 29 0B 15 -9,-2.5 -9,-3.0 -2,-0.4 23,-0.0 -0.479 32.2 -90.9-109.9-173.9 17.6 28.6 23.0 39 39 A R > - 0 0 15 -11,-0.2 3,-1.3 -2,-0.2 -11,-0.2 -0.359 46.6 -99.0 -87.9 173.7 15.8 26.5 25.5 40 40 A P T 3 S+ 0 0 0 0, 0.0 -21,-0.9 0, 0.0 -20,-0.3 0.698 124.2 44.9 -69.3 -18.1 12.1 26.0 25.4 41 41 A S T 3 S+ 0 0 11 -22,-0.3 -25,-0.1 -21,-0.1 -24,-0.1 0.016 77.9 165.8-115.3 30.7 11.8 28.6 28.2 42 42 A C < - 0 0 12 -3,-1.3 -4,-0.0 1,-0.2 30,-0.0 -0.122 24.7-157.3 -46.6 137.6 14.2 31.4 26.9 43 43 A R S S+ 0 0 129 1,-0.1 -1,-0.2 -24,-0.0 3,-0.1 0.324 76.5 70.5-101.3 4.8 13.6 34.6 28.8 44 44 A A S S- 0 0 43 1,-0.3 2,-0.3 25,-0.0 -1,-0.1 0.931 107.2 -72.8 -90.0 -51.1 15.0 37.1 26.1 45 45 A R - 0 0 211 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.959 45.6-111.5 172.1 178.6 12.5 37.0 23.3 46 46 A H - 0 0 80 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.970 8.2-152.7-140.0 158.7 11.3 34.7 20.4 47 47 A A - 0 0 30 -2,-0.3 -2,-0.0 1,-0.1 5,-0.0 -0.811 46.4 -76.5-120.3 159.3 11.2 34.2 16.6 48 48 A L - 0 0 134 -2,-0.3 3,-0.5 1,-0.1 -1,-0.1 -0.082 38.5-117.2 -52.9 156.2 8.7 32.3 14.5 49 49 A R S > S+ 0 0 107 1,-0.2 3,-2.7 2,-0.2 -1,-0.1 0.834 105.7 81.6 -63.2 -30.3 8.8 28.5 14.5 50 50 A E T 3 S+ 0 0 127 1,-0.3 -1,-0.2 -19,-0.1 -18,-0.0 0.906 102.5 28.0 -39.6 -61.5 9.5 28.8 10.8 51 51 A N T 3 S+ 0 0 39 -3,-0.5 -19,-3.3 -20,-0.1 2,-0.5 0.184 108.6 100.1 -90.0 17.3 13.2 29.6 11.3 52 52 A V E < +B 31 0B 11 -3,-2.7 -21,-0.3 -21,-0.3 2,-0.2 -0.904 46.0 171.7-110.7 126.3 13.2 27.6 14.5 53 53 A S E -B 30 0B 33 -23,-1.8 -23,-2.0 -2,-0.5 2,-0.4 -0.682 24.9-121.3-120.8 175.2 14.4 24.0 14.7 54 54 A F E -B 29 0B 29 -25,-0.3 2,-0.3 -2,-0.2 -25,-0.2 -0.916 18.7-167.6-124.4 150.2 15.0 21.6 17.6 55 55 A Y E -B 28 0B 38 -27,-1.5 -27,-1.7 -2,-0.4 3,-0.1 -0.940 30.0-128.3-130.4 154.8 18.0 19.8 18.9 56 56 A A S S+ 0 0 57 -2,-0.3 2,-0.3 -29,-0.2 -1,-0.1 0.934 96.4 4.6 -68.7 -40.6 18.5 17.0 21.5 57 57 A N S > S- 0 0 60 -30,-0.1 4,-1.9 -3,-0.1 3,-0.4 -0.926 78.1-106.4-138.4 165.4 21.1 19.2 23.2 58 58 A A H > S+ 0 0 36 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.789 117.5 62.0 -63.0 -24.2 22.7 22.6 22.9 59 59 A S H > S+ 0 0 77 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.916 101.5 50.7 -71.3 -36.3 25.8 21.0 21.5 60 60 A E H > S+ 0 0 103 -3,-0.4 4,-1.1 2,-0.2 3,-0.2 0.980 115.0 42.9 -62.2 -49.1 23.8 19.6 18.5 61 61 A A H ><>S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.3 5,-1.0 0.946 112.5 53.1 -59.3 -44.2 22.5 23.2 18.0 62 62 A L H ><5S+ 0 0 61 -4,-3.2 3,-0.8 1,-0.3 -1,-0.3 0.836 106.4 54.5 -60.5 -28.3 26.0 24.4 18.6 63 63 A A H 3<5S+ 0 0 76 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.709 92.8 70.3 -79.1 -18.0 27.0 22.0 15.9 64 64 A A T <<5S- 0 0 43 -3,-1.2 -1,-0.2 -4,-1.1 -2,-0.2 0.513 122.6-102.9 -76.6 0.4 24.4 23.5 13.5 65 65 A G T < 5S+ 0 0 51 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.847 77.5 139.3 82.8 36.1 26.7 26.5 13.4 66 66 A F < - 0 0 29 -5,-1.0 -1,-0.2 -4,-0.1 -30,-0.2 -0.747 56.0-119.0-110.9 161.5 24.6 28.7 15.8 67 67 A R E -d 36 0B 181 -32,-3.5 -30,-0.7 -2,-0.3 3,-0.1 -0.867 33.1-124.8 -99.8 117.3 25.5 31.0 18.6 68 68 A P E -d 37 0B 38 0, 0.0 2,-0.3 0, 0.0 -30,-0.1 -0.349 33.6-100.6 -62.8 135.0 24.0 29.8 21.9 69 69 A C >> - 0 0 13 -32,-0.9 4,-3.3 1,-0.2 3,-0.7 -0.384 24.5-136.3 -59.1 118.1 21.9 32.5 23.6 70 70 A K T 34 S+ 0 0 186 1,-0.3 -1,-0.2 -2,-0.3 5,-0.1 0.547 106.7 50.1 -56.8 -0.2 24.1 34.0 26.3 71 71 A R T 3> S+ 0 0 128 3,-0.1 4,-0.6 2,-0.1 -1,-0.3 0.749 119.3 32.1-104.7 -37.8 20.9 33.8 28.5 72 72 A C T <4 S+ 0 0 10 -3,-0.7 -2,-0.2 2,-0.1 5,-0.1 0.600 116.8 58.7 -93.2 -16.2 20.0 30.1 27.8 73 73 A Q T < S+ 0 0 83 -4,-3.3 -3,-0.2 1,-0.1 -1,-0.1 0.925 109.6 37.7 -82.4 -46.4 23.6 29.0 27.4 74 74 A P T 4 S+ 0 0 78 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.884 111.5 65.1 -74.5 -38.8 25.1 29.9 30.8 75 75 A D S < S- 0 0 35 -4,-0.6 2,-0.4 -5,-0.1 5,-0.0 -0.152 91.1-107.3 -75.0 178.1 21.9 29.0 32.8 76 76 A K - 0 0 74 1,-0.2 -1,-0.1 3,-0.1 -3,-0.1 -0.897 22.1-164.2-114.2 140.3 20.7 25.4 33.0 77 77 A A S >> S- 0 0 7 -2,-0.4 3,-2.6 3,-0.1 4,-0.6 0.651 85.7 -14.4 -85.4-111.9 17.6 23.9 31.3 78 78 A N H >> S+ 0 0 45 1,-0.3 4,-0.9 -54,-0.2 3,-0.6 0.909 138.2 64.8 -60.4 -30.5 16.5 20.5 32.8 79 79 A P H 3> S+ 0 0 54 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.734 84.4 81.1 -60.7 -17.0 19.9 20.6 34.4 80 80 A R H <> S+ 0 0 46 -3,-2.6 4,-1.8 1,-0.2 3,-0.4 0.980 90.4 45.5 -51.9 -63.4 18.3 23.6 36.2 81 81 A Q H X S+ 0 0 52 -4,-2.0 4,-1.7 1,-0.3 3,-1.0 0.959 102.6 53.8 -51.1 -45.8 19.7 22.1 48.9 89 89 A H H 3X S+ 0 0 99 -4,-1.8 4,-2.2 1,-0.3 -1,-0.3 0.928 99.8 62.0 -54.9 -38.4 22.9 20.3 49.9 90 90 A A H 3X S+ 0 0 21 -4,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.902 99.3 55.7 -54.9 -36.0 24.2 23.9 50.6 91 91 A C H X S+ 0 0 90 -4,-1.7 4,-2.1 1,-0.2 3,-1.7 0.955 109.6 47.6 -50.6 -53.4 22.8 20.8 54.8 93 93 A L H 3X S+ 0 0 55 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.897 107.3 56.5 -56.2 -39.8 26.3 22.4 55.1 94 94 A L H 3< S+ 0 0 19 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.632 124.6 25.1 -69.4 -10.2 24.7 25.6 56.6 95 95 A E H << S+ 0 0 60 -3,-1.7 -2,-0.2 -4,-0.9 -1,-0.2 0.380 114.4 68.1-129.7 -5.0 23.1 23.3 59.3 96 96 A Q H < S+ 0 0 106 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.950 105.7 28.3 -83.8 -54.8 25.6 20.4 59.3 97 97 A E S < S- 0 0 56 -4,-1.4 3,-0.1 -5,-0.2 4,-0.1 0.030 86.5-112.7 -87.4-155.7 28.7 22.1 60.7 98 98 A T S S+ 0 0 135 1,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.817 98.6 56.5-105.3 -61.2 28.8 25.1 63.1 99 99 A P S S- 0 0 94 0, 0.0 -2,-0.2 0, 0.0 2,-0.1 -0.339 100.8-106.2 -65.1 142.3 30.3 28.0 61.0 100 100 A V - 0 0 85 -4,-0.1 2,-0.7 -3,-0.1 3,-0.3 -0.450 28.9-137.7 -76.5 149.3 28.1 28.5 57.9 101 101 A T + 0 0 48 -11,-0.2 -7,-0.1 1,-0.2 -8,-0.1 -0.842 58.0 118.2-115.9 104.1 29.6 27.3 54.6 102 102 A L > + 0 0 14 -2,-0.7 4,-3.6 -9,-0.1 5,-0.5 0.426 46.1 102.4-131.1 -17.1 29.2 29.5 51.5 103 103 A E H > S+ 0 0 147 -3,-0.3 4,-2.0 1,-0.3 5,-0.2 0.850 87.1 45.2 -40.2 -45.8 33.0 30.1 50.8 104 104 A A H > S+ 0 0 86 2,-0.2 4,-1.8 3,-0.2 -1,-0.3 0.936 119.9 41.3 -69.4 -40.8 33.0 27.6 48.0 105 105 A L H > S+ 0 0 36 -3,-0.3 4,-2.3 2,-0.2 5,-0.4 0.983 114.7 49.3 -69.1 -55.8 29.7 28.9 46.6 106 106 A A H X>S+ 0 0 11 -4,-3.6 4,-2.3 1,-0.2 5,-1.7 0.911 113.6 48.2 -50.5 -43.6 30.5 32.6 47.1 107 107 A D H <5S+ 0 0 111 -4,-2.0 -1,-0.2 -5,-0.5 -2,-0.2 0.896 108.9 54.0 -66.2 -38.2 33.9 32.1 45.4 108 108 A Q H <5S+ 0 0 132 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.905 122.3 27.7 -64.9 -40.3 32.2 30.2 42.5 109 109 A V H <5S- 0 0 56 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.647 106.7-121.0 -96.4 -15.2 29.8 33.1 41.7 110 110 A A T <5S+ 0 0 92 -4,-2.3 2,-0.3 -5,-0.4 -3,-0.2 0.859 74.3 107.7 79.7 35.9 32.0 35.9 43.0 111 111 A M S - 0 0 63 -2,-0.3 4,-1.9 -3,-0.1 5,-0.1 -0.175 44.7 -99.2 -73.2 170.9 28.9 37.2 49.4 113 113 A P H > S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.853 123.7 55.5 -63.3 -32.6 26.9 34.5 51.4 114 114 A F H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 15,-0.2 0.928 107.0 48.5 -69.5 -38.0 23.8 36.7 51.4 115 115 A H H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 104.6 59.9 -70.8 -27.5 23.9 36.9 47.6 116 116 A L H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.969 104.8 50.0 -59.7 -44.6 24.3 33.1 47.5 117 117 A H H X S+ 0 0 8 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.965 107.3 53.7 -55.8 -48.3 21.0 33.0 49.3 118 118 A R H X S+ 0 0 101 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.883 109.2 48.8 -54.8 -36.8 19.6 35.4 46.6 119 119 A L H X S+ 0 0 40 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.956 104.5 58.1 -68.8 -46.2 20.8 32.9 44.0 120 120 A F H X S+ 0 0 3 -4,-2.9 4,-1.7 1,-0.2 5,-0.3 0.900 112.4 42.3 -49.8 -40.3 19.1 30.0 45.9 121 121 A K H X S+ 0 0 84 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.910 111.5 54.9 -74.6 -42.2 15.8 32.0 45.4 122 122 A A H < S+ 0 0 64 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.975 119.8 30.9 -56.3 -56.2 16.6 32.9 41.8 123 123 A T H < S+ 0 0 39 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.997 123.7 45.0 -69.3 -60.5 17.1 29.3 40.7 124 124 A T H < S- 0 0 47 -4,-1.7 -3,-0.2 -5,-0.4 -1,-0.2 0.871 114.6-126.8 -49.2 -32.5 14.6 27.6 43.2 125 125 A G S < S+ 0 0 35 -4,-2.2 -1,-0.2 -5,-0.3 -4,-0.1 -0.169 78.3 17.4 110.8 -40.0 12.4 30.6 42.1 126 126 A M S S+ 0 0 159 -6,-0.2 -5,-0.1 1,-0.2 -4,-0.1 0.088 103.6 61.9-159.5 48.9 11.2 32.3 45.3 127 127 A T + 0 0 27 -10,-0.1 4,-0.3 -9,-0.1 -1,-0.2 -0.425 45.5 172.4-170.8 89.0 13.1 31.7 48.6 128 128 A P S >> S- 0 0 33 0, 0.0 4,-1.5 0, 0.0 3,-0.9 0.837 81.0 -4.3 -70.2-108.3 16.8 32.5 49.1 129 129 A K H 3> S+ 0 0 89 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.788 131.6 65.4 -60.2 -21.1 18.2 32.2 52.6 130 130 A A H 3> S+ 0 0 55 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.922 98.8 51.2 -68.9 -37.0 14.6 31.3 53.8 131 131 A W H <> S+ 0 0 78 -3,-0.9 4,-2.3 -4,-0.3 5,-0.3 0.927 108.5 53.3 -64.5 -37.5 14.8 28.1 51.6 132 132 A Q H X S+ 0 0 2 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.952 111.6 44.7 -60.2 -47.6 18.1 27.3 53.4 133 133 A Q H X S+ 0 0 106 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.957 114.1 48.4 -63.6 -50.1 16.4 27.7 56.8 134 134 A A H >X S+ 0 0 29 -4,-3.0 4,-2.0 2,-0.2 3,-0.9 0.984 111.7 48.0 -55.8 -60.0 13.3 25.7 55.9 135 135 A W H 3X S+ 0 0 57 -4,-2.3 4,-2.5 1,-0.3 3,-0.5 0.929 113.1 50.0 -45.8 -49.0 15.3 22.7 54.4 136 136 A R H 3< S+ 0 0 101 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.850 107.7 54.5 -60.3 -33.5 17.5 22.8 57.5 137 137 A A H << S+ 0 0 71 -4,-2.1 -1,-0.2 -3,-0.9 -2,-0.2 0.824 118.5 33.7 -73.0 -28.1 14.3 22.8 59.7 138 138 A R H < 0 0 186 -4,-2.0 -2,-0.2 -3,-0.5 -1,-0.2 0.626 360.0 360.0-100.2 -15.8 13.0 19.7 58.0 139 139 A R < 0 0 135 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.906 360.0 360.0 -96.6 360.0 16.5 18.1 57.4