==== 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 LYASE 17-JAN-05 1YKD . COMPND 2 MOLECULE: ADENYLATE CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; . AUTHOR S.E.MARTINEZ,S.BRUDER,A.SCHULTZ,N.ZHENG,J.E.SCHULTZ,J.A.BEAV . 763 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 542 71.0 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 . 139 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 46 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 2 0 1 1 0 4 4 0 0 0 0 4 0 0 0 0 2 0 0 0 0 0 1 1 0 0 2 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 . 2 0 8 0 0 4 7 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 . 0 1 1 0 3 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 58 A V 0 0 10 0, 0.0 3,-0.2 0, 0.0 411,-0.2 0.000 360.0 360.0 360.0 -36.6 -4.8 17.8 20.8 2 59 A T + 0 0 63 1,-0.2 4,-0.1 2,-0.1 406,-0.1 0.144 360.0 60.9-112.0 16.1 -4.1 20.7 18.3 3 60 A E > + 0 0 72 2,-0.1 4,-2.3 3,-0.1 5,-0.2 0.341 67.9 105.1-120.4 5.8 -3.0 18.7 15.2 4 61 A V H > S+ 0 0 0 -3,-0.2 4,-2.2 1,-0.2 5,-0.2 0.913 81.1 46.0 -57.5 -51.3 -6.2 16.7 14.4 5 62 A E H > S+ 0 0 72 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.849 114.2 47.9 -63.3 -37.4 -7.5 18.7 11.4 6 63 A Q H > S+ 0 0 43 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.877 111.9 49.5 -71.4 -39.1 -4.1 18.9 9.7 7 64 A K H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.839 105.3 58.3 -70.6 -31.3 -3.4 15.2 10.2 8 65 A L H X S+ 0 0 3 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.867 103.5 52.6 -62.9 -36.1 -6.9 14.5 8.7 9 66 A Q H X S+ 0 0 126 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.890 107.4 52.3 -65.6 -37.2 -5.8 16.3 5.6 10 67 A I H X S+ 0 0 4 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.861 107.3 52.4 -64.1 -36.9 -2.7 14.0 5.5 11 68 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.919 106.9 52.7 -64.3 -43.2 -5.0 11.0 5.7 12 69 A H H X S+ 0 0 84 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.838 108.4 50.3 -62.4 -34.3 -7.1 12.3 2.7 13 70 A Q H X S+ 0 0 65 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.791 106.8 54.6 -74.9 -29.0 -3.9 12.6 0.7 14 71 A T H X S+ 0 0 0 -4,-1.4 4,-0.8 -3,-0.2 -2,-0.2 0.901 108.6 49.2 -67.7 -41.1 -2.9 9.0 1.6 15 72 A L H >X S+ 0 0 12 -4,-2.1 4,-2.8 1,-0.2 3,-0.5 0.856 106.3 57.0 -63.8 -36.2 -6.3 7.9 0.3 16 73 A S H 3< S+ 0 0 79 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.904 108.5 46.3 -62.6 -39.5 -5.7 9.9 -2.9 17 74 A M H 3< S+ 0 0 21 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.602 127.6 24.3 -83.3 -9.4 -2.5 8.0 -3.6 18 75 A L H X< S+ 0 0 0 -4,-0.8 3,-1.4 -3,-0.5 5,-0.4 0.696 90.6 101.2-121.4 -37.3 -4.0 4.4 -2.9 19 76 A D T 3< S+ 0 0 46 -4,-2.8 370,-0.0 1,-0.2 -4,-0.0 -0.296 96.8 0.4 -62.6 138.4 -7.8 4.3 -3.4 20 77 A S T 3 S+ 0 0 122 1,-0.1 -1,-0.2 369,-0.0 -4,-0.0 0.473 102.2 106.2 67.6 8.6 -9.2 2.8 -6.6 21 78 A H S < S- 0 0 86 -3,-1.4 -2,-0.1 4,-0.0 5,-0.1 0.434 84.0-122.5-103.8 -0.9 -5.6 2.0 -7.9 22 79 A G >> + 0 0 24 -4,-0.2 4,-2.2 3,-0.1 3,-0.5 0.885 44.8 166.8 68.7 42.7 -5.6 -1.8 -7.4 23 80 A F H 3> + 0 0 0 -5,-0.4 4,-2.8 1,-0.2 5,-0.3 0.804 69.7 62.2 -65.5 -31.5 -2.5 -1.9 -5.2 24 81 A E H 3> S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 111.5 40.7 -56.6 -44.2 -3.1 -5.5 -4.1 25 82 A N H <> S+ 0 0 98 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.905 113.8 51.4 -69.8 -44.9 -2.6 -6.4 -7.8 26 83 A I H X S+ 0 0 21 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.937 115.2 43.5 -56.9 -47.5 0.3 -4.0 -8.4 27 84 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.885 116.5 45.2 -67.5 -41.7 2.1 -5.3 -5.4 28 85 A Q H X S+ 0 0 68 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.898 112.5 50.9 -71.8 -40.1 1.4 -9.0 -6.0 29 86 A E H X S+ 0 0 130 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.878 111.9 47.4 -64.3 -37.9 2.3 -8.8 -9.8 30 87 A M H X S+ 0 0 22 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.882 110.7 51.4 -71.8 -39.5 5.6 -7.1 -9.0 31 88 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.888 110.5 50.3 -59.2 -41.0 6.4 -9.7 -6.4 32 89 A Q H X S+ 0 0 71 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.908 110.4 48.7 -65.6 -43.3 5.7 -12.4 -9.0 33 90 A S H X S+ 0 0 47 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.898 112.1 48.6 -66.1 -40.6 7.9 -10.8 -11.6 34 91 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.899 111.1 50.4 -63.9 -42.3 10.8 -10.4 -9.1 35 92 A T H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.920 109.6 50.9 -64.1 -43.7 10.4 -14.0 -8.0 36 93 A L H X S+ 0 0 101 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.917 112.9 45.5 -58.1 -45.3 10.5 -15.2 -11.6 37 94 A K H X S+ 0 0 52 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.841 111.1 53.5 -70.1 -33.0 13.7 -13.2 -12.3 38 95 A T H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.941 111.2 45.4 -65.2 -48.7 15.3 -14.4 -9.1 39 96 A G H X>S+ 0 0 4 -4,-2.6 5,-2.4 2,-0.2 4,-0.9 0.883 111.5 53.2 -60.2 -41.4 14.6 -18.1 -10.0 40 97 A E H <5S+ 0 0 121 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.932 112.5 43.2 -60.3 -47.6 15.9 -17.5 -13.6 41 98 A L H <5S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.808 116.9 45.5 -72.5 -32.0 19.2 -16.0 -12.4 42 99 A L H <5S- 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.526 112.2-120.1 -87.6 -6.8 19.8 -18.6 -9.7 43 100 A G T <5 + 0 0 20 -4,-0.9 101,-2.7 -3,-0.4 2,-0.4 0.812 55.4 158.0 73.4 32.4 18.8 -21.4 -12.1 44 101 A A E < -A 143 0A 12 -5,-2.4 -1,-0.2 99,-0.2 98,-0.2 -0.731 41.9-148.9 -90.2 137.5 15.9 -22.8 -10.0 45 102 A D E S+ 0 0 44 96,-1.5 2,-0.3 97,-1.4 97,-0.2 0.859 88.3 13.5 -67.2 -38.4 13.1 -24.8 -11.6 46 103 A R E -A 141 0A 52 95,-1.5 95,-3.1 -7,-0.1 2,-0.4 -0.992 65.6-165.1-142.4 147.4 10.6 -23.4 -9.1 47 104 A T E -A 140 0A 13 -2,-0.3 18,-1.1 93,-0.2 2,-0.4 -1.000 9.1-172.9-137.6 132.7 10.7 -20.5 -6.6 48 105 A T E -AB 139 64A 6 91,-2.6 91,-2.9 -2,-0.4 2,-0.5 -0.966 15.3-155.7-130.9 138.5 8.3 -19.9 -3.7 49 106 A I E -AB 138 63A 0 14,-2.7 13,-2.1 -2,-0.4 14,-1.2 -0.976 17.8-164.6-113.0 116.0 7.7 -17.1 -1.2 50 107 A F E -AB 137 61A 4 87,-3.1 87,-2.3 -2,-0.5 2,-0.3 -0.841 1.8-162.4 -98.1 134.6 6.0 -18.2 2.0 51 108 A L E - B 0 60A 26 9,-3.1 9,-2.3 -2,-0.4 2,-0.6 -0.780 21.2-118.6-106.7 159.9 4.5 -15.8 4.5 52 109 A L E - B 0 59A 62 83,-0.3 2,-1.1 -2,-0.3 7,-0.2 -0.887 13.2-163.2-105.8 113.8 3.6 -16.6 8.2 53 110 A D E >> - B 0 58A 54 5,-2.8 5,-1.8 -2,-0.6 4,-1.0 -0.843 14.0-176.8 -86.0 95.5 0.0 -16.4 9.4 54 111 A E T 45S+ 0 0 144 -2,-1.1 -1,-0.2 1,-0.2 5,-0.0 0.708 76.3 60.0 -73.3 -21.2 0.9 -16.3 13.1 55 112 A E T 45S+ 0 0 152 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.860 119.4 28.1 -70.8 -37.1 -2.7 -16.4 14.2 56 113 A K T 45S- 0 0 134 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.457 104.8-126.7-101.4 -4.2 -3.3 -19.8 12.4 57 114 A Q T <5 + 0 0 112 -4,-1.0 21,-1.9 1,-0.2 2,-0.3 0.937 64.7 128.8 53.1 53.2 0.3 -21.0 12.7 58 115 A E E < -BC 53 77A 51 -5,-1.8 -5,-2.8 19,-0.3 2,-0.5 -0.990 55.8-138.8-136.3 142.8 0.7 -21.7 9.0 59 116 A L E -BC 52 76A 0 17,-2.4 17,-2.5 -2,-0.3 2,-0.3 -0.900 30.5-178.8 -94.2 129.2 3.2 -20.8 6.2 60 117 A W E -BC 51 75A 36 -9,-2.3 -9,-3.1 -2,-0.5 2,-0.5 -0.982 27.7-112.7-133.8 145.9 1.3 -20.0 3.0 61 118 A S E -B 50 0A 5 13,-2.3 -11,-0.3 -2,-0.3 3,-0.2 -0.642 23.0-179.8 -87.1 119.0 2.7 -19.0 -0.4 62 119 A I E S+ 0 0 7 -13,-2.1 2,-0.3 -2,-0.5 -1,-0.2 0.773 89.5 19.0 -77.1 -31.2 2.1 -15.5 -1.7 63 120 A V E S+B 49 0A 3 -14,-1.2 -14,-2.7 -3,-0.1 -1,-0.3 -0.990 76.8 163.2-136.4 131.2 4.0 -16.5 -4.8 64 121 A A E -B 48 0A 1 -2,-0.3 8,-0.8 -16,-0.2 -16,-0.2 -0.871 35.7-118.5-156.7 121.8 4.5 -20.2 -5.9 65 122 A A - 0 0 35 -18,-1.1 2,-0.2 -2,-0.3 6,-0.1 -0.267 35.5-176.8 -61.9 132.3 5.5 -21.7 -9.2 66 123 A G > - 0 0 11 1,-0.1 3,-1.1 5,-0.0 2,-0.3 -0.598 35.7 -71.4-117.9-177.9 3.1 -24.1 -10.8 67 124 A E G > S+ 0 0 170 3,-0.3 3,-0.7 1,-0.2 -1,-0.1 -0.591 117.9 11.6 -77.3 135.9 2.9 -26.3 -13.9 68 125 A G G 3 S- 0 0 64 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.731 129.6 -71.7 69.0 24.4 2.6 -24.5 -17.2 69 126 A D G < S+ 0 0 154 -3,-1.1 2,-0.4 1,-0.2 -1,-0.2 0.850 103.5 125.1 54.8 39.8 3.4 -21.2 -15.4 70 127 A R < - 0 0 209 -3,-0.7 -3,-0.3 0, 0.0 -1,-0.2 -0.955 54.6-139.1-126.5 113.8 -0.0 -21.1 -13.6 71 128 A S - 0 0 62 -2,-0.4 2,-0.3 -5,-0.2 -6,-0.2 -0.339 16.4-162.7 -90.2 149.4 0.6 -20.8 -9.9 72 129 A L - 0 0 133 -8,-0.8 2,-0.6 -2,-0.1 -1,-0.0 -0.774 26.3-107.6-120.7 164.4 -1.1 -22.4 -6.9 73 130 A E - 0 0 115 -2,-0.3 2,-0.4 -13,-0.0 -11,-0.1 -0.859 28.0-160.7 -97.0 116.0 -1.2 -21.6 -3.1 74 131 A I - 0 0 60 -2,-0.6 -13,-2.3 2,-0.0 2,-0.4 -0.808 10.8-176.5 -92.9 137.9 0.8 -24.0 -0.9 75 132 A R E +C 60 0A 97 -2,-0.4 -15,-0.2 -15,-0.2 -2,-0.0 -0.986 8.5 161.3-142.3 122.8 -0.1 -24.0 2.8 76 133 A I E -C 59 0A 11 -17,-2.5 -17,-2.4 -2,-0.4 2,-0.1 -0.915 48.0 -82.3-136.2 160.6 1.6 -26.0 5.6 77 134 A P E > -C 58 0A 56 0, 0.0 3,-1.8 0, 0.0 -19,-0.3 -0.455 43.9-122.6 -61.1 141.0 1.9 -26.0 9.4 78 135 A A T 3 S+ 0 0 6 -21,-1.9 10,-0.2 1,-0.3 -20,-0.1 0.584 108.9 53.0 -68.9 -10.6 4.6 -23.4 10.4 79 136 A D T 3 S+ 0 0 109 -22,-0.3 -1,-0.3 8,-0.1 2,-0.3 0.466 95.1 89.5 -99.0 -3.2 6.6 -26.1 12.2 80 137 A K S <> S+ 0 0 96 -3,-1.8 4,-1.5 4,-0.1 5,-0.1 -0.661 75.6 1.3-103.7 151.7 6.9 -28.6 9.3 81 138 A G H > S- 0 0 23 -2,-0.3 4,-1.5 2,-0.2 24,-0.1 0.022 98.2 -60.6 76.6 177.8 9.3 -29.1 6.5 82 139 A I H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.883 136.4 59.4 -62.1 -38.6 12.5 -27.2 5.6 83 140 A A H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.915 106.4 46.8 -56.6 -43.6 10.3 -24.1 5.2 84 141 A G H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.836 108.4 55.8 -66.5 -34.7 9.3 -24.5 8.9 85 142 A E H X S+ 0 0 59 -4,-1.5 4,-2.5 2,-0.2 5,-0.4 0.914 110.2 45.2 -62.7 -43.3 12.9 -25.1 9.9 86 143 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.897 111.6 52.6 -68.3 -42.4 13.9 -21.7 8.3 87 144 A A H < S+ 0 0 10 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.891 117.0 39.4 -57.2 -39.9 10.9 -20.0 9.9 88 145 A T H < S+ 0 0 83 -4,-2.0 -2,-0.2 -10,-0.2 -3,-0.2 0.946 130.0 22.8 -79.5 -52.6 11.8 -21.2 13.3 89 146 A F H < S- 0 0 139 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.483 90.4-137.4-101.2 -8.3 15.6 -21.0 13.5 90 147 A K < + 0 0 74 -4,-1.8 2,-0.3 -5,-0.4 -4,-0.1 0.806 55.2 131.7 57.4 38.1 16.1 -18.3 10.8 91 148 A Q - 0 0 130 -6,-0.3 2,-0.3 34,-0.1 -1,-0.2 -0.855 64.1-103.8-110.8 153.6 19.1 -20.0 9.1 92 149 A V - 0 0 52 -2,-0.3 2,-0.5 33,-0.1 33,-0.2 -0.601 33.9-155.8 -66.9 132.3 19.8 -20.6 5.4 93 150 A V E -D 124 0A 10 31,-2.5 31,-2.7 -2,-0.3 2,-0.6 -0.975 9.4-172.2-115.6 117.5 19.2 -24.3 4.6 94 151 A N E -D 123 0A 61 -2,-0.5 29,-0.2 29,-0.2 -2,-0.0 -0.945 5.9-164.3-109.0 113.2 21.0 -25.7 1.5 95 152 A I E -D 122 0A 1 27,-2.8 27,-1.8 -2,-0.6 68,-0.3 -0.884 7.1-154.4-100.9 112.5 20.0 -29.2 0.6 96 153 A P - 0 0 81 0, 0.0 2,-0.1 0, 0.0 65,-0.1 -0.362 45.5 -40.9 -74.4 160.5 22.3 -31.1 -1.8 97 154 A F S S+ 0 0 87 63,-0.7 24,-0.1 1,-0.2 23,-0.1 -0.436 121.3 36.7 -54.3 129.5 21.2 -33.9 -4.1 98 155 A D > + 0 0 21 22,-0.4 3,-1.8 -2,-0.1 4,-0.4 0.433 57.1 175.5-113.4 127.9 19.3 -36.0 -3.1 99 156 A F G > S+ 0 0 2 21,-2.3 3,-1.5 1,-0.3 6,-0.3 0.823 82.2 63.1 -52.3 -38.0 16.8 -34.3 -0.7 100 157 A Y G 3 S+ 0 0 33 1,-0.3 -1,-0.3 19,-0.2 20,-0.1 0.651 93.3 61.4 -68.3 -17.0 14.8 -37.5 -0.3 101 158 A H G < S+ 0 0 156 -3,-1.8 -1,-0.3 3,-0.0 -2,-0.2 0.585 88.7 87.8 -82.5 -11.8 17.8 -39.3 1.3 102 159 A D S X S- 0 0 38 -3,-1.5 3,-1.8 -4,-0.4 4,-0.1 -0.754 79.0-139.2 -84.6 130.2 17.6 -36.6 4.1 103 160 A P G > S+ 0 0 106 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.694 100.3 69.7 -64.8 -18.5 15.2 -37.6 7.0 104 161 A R G 3 S+ 0 0 99 1,-0.2 3,-0.4 2,-0.1 4,-0.3 0.585 87.1 70.6 -69.1 -11.5 14.0 -34.0 7.1 105 162 A S G <> + 0 0 0 -3,-1.8 4,-2.5 -6,-0.3 -1,-0.2 0.437 65.5 97.8 -85.8 -1.6 12.4 -34.6 3.7 106 163 A I H <> S+ 0 0 92 -3,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.901 84.9 47.7 -58.7 -44.5 9.6 -37.0 5.0 107 164 A F H > S+ 0 0 50 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.918 112.9 49.2 -60.7 -44.0 7.0 -34.2 5.1 108 165 A A H > S+ 0 0 26 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.869 106.3 56.7 -64.2 -37.9 7.9 -33.0 1.6 109 166 A Q H X S+ 0 0 60 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.869 107.2 48.6 -62.6 -38.6 7.7 -36.6 0.3 110 167 A K H X S+ 0 0 145 -4,-1.6 4,-0.6 -5,-0.2 3,-0.3 0.883 110.1 51.7 -66.6 -39.4 4.1 -36.9 1.5 111 168 A Q H >X S+ 0 0 63 -4,-1.7 4,-2.4 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