==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 23-FEB-10 3LWB . COMPND 2 MOLECULE: D-ALANINE--D-ALANINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.B.BRUNING,A.C.MURILLO,O.CHACON,R.G.BARLETTA,J.C.SACCHETTIN . 621 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 17.4 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 1 0.2 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 . 56 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 1 3 3 3 3 2 0 2 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 2 0 1 0 1 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 3 8 3 2 0 2 2 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 . 3 0 3 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 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 7 A R > 0 0 91 0, 0.0 3,-1.1 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 160.2 11.7 34.0 -16.0 2 8 A D T 3 + 0 0 120 1,-0.2 3,-0.0 3,-0.0 0, 0.0 0.014 360.0 52.7 -80.9 28.5 10.8 36.1 -13.0 3 9 A R T 3 S+ 0 0 91 2,-0.1 -1,-0.2 29,-0.0 2,-0.1 0.367 79.3 120.7-137.9 -8.3 8.4 33.2 -12.1 4 10 A R < - 0 0 73 -3,-1.1 29,-0.2 1,-0.1 2,-0.2 -0.347 69.6-110.1 -65.4 138.6 10.8 30.2 -12.2 5 11 A V E -a 33 0A 36 27,-1.2 29,-3.3 -2,-0.1 2,-0.6 -0.489 32.8-129.4 -62.8 133.9 11.3 28.1 -9.1 6 12 A R E -a 34 0A 91 27,-0.2 63,-2.1 -2,-0.2 62,-2.0 -0.818 29.6-170.8 -95.5 122.6 14.8 28.7 -7.8 7 13 A V E -ab 35 69A 0 27,-2.5 29,-3.0 -2,-0.6 2,-0.6 -0.935 17.7-160.9-122.0 130.1 16.7 25.4 -7.2 8 14 A A E -ab 36 70A 0 61,-2.0 63,-3.4 -2,-0.4 2,-0.8 -0.941 9.3-155.9-105.0 117.1 20.0 24.6 -5.5 9 15 A V E -ab 37 71A 0 27,-2.9 29,-2.8 -2,-0.6 2,-0.5 -0.835 20.3-165.7 -88.3 110.8 21.5 21.3 -6.3 10 16 A V E +ab 38 72A 2 61,-1.2 63,-3.0 -2,-0.8 2,-0.3 -0.883 16.3 158.0-108.6 127.3 23.7 20.6 -3.3 11 17 A F E -a 39 0A 23 27,-2.7 29,-2.9 -2,-0.5 2,-0.4 -0.947 39.8 -95.8-145.8 162.3 26.4 17.9 -3.4 12 18 A G E a 40 0A 23 63,-0.5 29,-0.2 -2,-0.3 6,-0.1 -0.644 360.0 360.0 -84.8 132.4 29.6 16.8 -1.7 13 19 A G 0 0 72 27,-3.1 -1,-0.1 -2,-0.4 26,-0.0 -0.548 360.0 360.0 -54.3 360.0 33.0 17.6 -3.1 14 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 15 25 A A > 0 0 99 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0-151.7 32.8 10.7 -7.9 16 26 A I H > + 0 0 42 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.892 360.0 52.0 -51.3 -43.2 29.2 9.4 -7.6 17 27 A S H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 113.1 43.1 -64.4 -43.1 28.1 12.6 -5.9 18 28 A C H > S+ 0 0 54 2,-0.2 4,-2.7 -3,-0.2 -1,-0.2 0.912 116.1 48.9 -65.5 -43.4 29.5 14.9 -8.6 19 29 A V H X S+ 0 0 77 -4,-3.0 4,-2.5 2,-0.2 277,-0.2 0.861 112.1 48.7 -64.1 -37.9 28.2 12.6 -11.3 20 30 A S H X S+ 0 0 8 -4,-2.9 4,-2.6 -5,-0.3 5,-0.2 0.944 112.1 48.5 -65.0 -49.0 24.8 12.5 -9.7 21 31 A A H X S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.915 111.4 51.4 -56.7 -43.1 24.8 16.3 -9.3 22 32 A G H X S+ 0 0 12 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.943 109.2 49.3 -59.3 -49.9 25.8 16.5 -13.0 23 33 A S H X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.914 113.8 45.7 -55.2 -47.9 23.0 14.3 -14.1 24 34 A I H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 3,-0.5 0.928 111.7 52.3 -63.2 -43.6 20.4 16.3 -12.1 25 35 A L H >< S+ 0 0 28 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.908 109.8 47.9 -61.5 -43.3 21.8 19.6 -13.4 26 36 A R H 3< S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.735 113.3 48.7 -70.3 -22.7 21.6 18.6 -17.0 27 37 A N H 3< S+ 0 0 41 -4,-1.1 2,-0.6 -3,-0.5 -1,-0.2 0.408 80.7 104.1-105.1 2.8 18.1 17.3 -16.7 28 38 A L S << S- 0 0 14 -4,-0.8 2,-0.5 -3,-0.7 7,-0.1 -0.768 78.9-119.3 -83.9 121.4 16.4 20.2 -14.9 29 39 A D >> - 0 0 47 -2,-0.6 4,-2.9 283,-0.2 3,-1.7 -0.463 20.0-160.4 -63.2 109.5 14.3 22.2 -17.4 30 40 A S T 34 S+ 0 0 81 -2,-0.5 -1,-0.2 1,-0.3 -26,-0.1 0.632 89.5 66.5 -71.8 -12.1 15.7 25.7 -17.4 31 41 A R T 34 S+ 0 0 199 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.719 118.0 25.8 -72.7 -19.3 12.5 27.0 -18.9 32 42 A R T <4 S+ 0 0 112 -3,-1.7 -27,-1.2 1,-0.2 2,-0.4 0.728 121.5 48.5-115.0 -35.5 11.0 26.0 -15.6 33 43 A F E < -a 5 0A 5 -4,-2.9 2,-0.8 -29,-0.2 -1,-0.2 -0.917 59.2-146.7-120.9 139.1 13.7 26.1 -13.0 34 44 A D E -a 6 0A 62 -29,-3.3 -27,-2.5 -2,-0.4 2,-0.4 -0.877 38.5-165.5 -99.8 101.9 16.4 28.7 -12.1 35 45 A V E +a 7 0A 34 -2,-0.8 2,-0.3 -29,-0.2 -27,-0.2 -0.734 20.6 179.0-109.1 135.1 19.2 26.3 -11.0 36 46 A I E -a 8 0A 44 -29,-3.0 -27,-2.9 -2,-0.4 2,-0.5 -0.916 21.6-132.1-126.0 159.2 22.4 26.8 -9.2 37 47 A A E -aC 9 49A 1 12,-0.6 12,-2.5 -2,-0.3 2,-0.5 -0.937 18.4-172.9-119.3 126.4 25.1 24.3 -8.1 38 48 A V E -aC 10 48A 0 -29,-2.8 -27,-2.7 -2,-0.5 2,-0.4 -0.965 4.9-163.9-124.4 117.9 26.6 24.1 -4.6 39 49 A G E -aC 11 47A 10 8,-2.9 8,-3.0 -2,-0.5 2,-0.6 -0.839 13.8-141.6 -98.5 135.8 29.5 21.8 -3.7 40 50 A I E -aC 12 46A 38 -29,-2.9 -27,-3.1 -2,-0.4 6,-0.2 -0.862 19.9-135.5 -97.7 120.5 30.2 21.1 -0.0 41 51 A T > - 0 0 47 4,-2.6 3,-2.3 -2,-0.6 -1,-0.0 -0.270 28.5-101.9 -69.1 158.8 33.9 21.0 0.8 42 52 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.914 127.5 53.5 -45.0 -47.4 35.4 18.2 3.0 43 53 A A T 3 S- 0 0 97 1,-0.1 -2,-0.0 2,-0.0 -3,-0.0 0.643 124.9-107.0 -63.7 -17.1 35.5 20.8 5.8 44 54 A G < + 0 0 22 -3,-2.3 2,-0.2 1,-0.3 -1,-0.1 0.553 68.2 144.7 102.0 10.1 31.8 21.4 5.2 45 55 A S - 0 0 37 12,-0.1 -4,-2.6 14,-0.1 2,-0.7 -0.591 49.9-124.7 -78.6 142.4 31.8 24.9 3.5 46 56 A W E -C 40 0A 14 12,-3.1 2,-0.5 -2,-0.2 -6,-0.2 -0.794 33.7-179.7 -89.6 113.4 29.2 25.6 0.8 47 57 A V E -C 39 0A 76 -8,-3.0 -8,-2.9 -2,-0.7 2,-0.1 -0.957 24.3-127.1-119.8 129.0 31.0 26.7 -2.3 48 58 A L E -C 38 0A 109 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.445 29.7-170.9 -74.1 147.0 29.2 27.7 -5.5 49 59 A T E -C 37 0A 71 -12,-2.5 -12,-0.6 -2,-0.1 2,-0.1 -0.956 36.7 -79.6-140.4 154.2 30.3 26.0 -8.7 50 60 A D - 0 0 130 -2,-0.3 -14,-0.1 1,-0.2 -12,-0.0 -0.348 34.1-156.8 -55.6 119.7 29.6 26.3 -12.4 51 61 A A 0 0 26 1,-0.3 -1,-0.2 -2,-0.1 -13,-0.1 0.387 360.0 360.0 -73.7 9.1 26.3 24.6 -13.0 52 62 A N 0 0 150 -15,-0.1 -1,-0.3 -26,-0.0 -2,-0.1 0.518 360.0 360.0 38.3 360.0 27.3 24.1 -16.5 53 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 54 97 A V 0 0 131 0, 0.0 2,-1.1 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0-142.1 20.7 29.1 13.7 55 98 A S + 0 0 91 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.717 360.0 175.8 -89.5 97.9 24.3 28.1 13.2 56 99 A L - 0 0 58 -2,-1.1 3,-0.1 1,-0.1 5,-0.1 -0.661 34.0 -91.9-101.1 156.0 24.8 27.2 9.5 57 100 A P >> - 0 0 35 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.170 59.6 -72.0 -61.5 156.8 28.0 26.3 7.7 58 101 A P T 34 S+ 0 0 86 0, 0.0 -12,-3.1 0, 0.0 -14,-0.0 -0.256 120.6 5.1 -49.0 123.3 30.1 28.8 5.9 59 102 A G T 3> S+ 0 0 19 -14,-0.2 4,-1.4 -3,-0.1 5,-0.1 0.226 103.2 101.6 87.7 -14.2 28.3 30.0 2.7 60 103 A A H <> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.2 5,-0.2 0.879 74.3 57.1 -75.4 -37.3 25.2 28.1 3.4 61 104 A G H X S+ 0 0 38 -4,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.933 108.7 45.3 -56.7 -49.0 23.2 31.0 4.7 62 105 A E H > S+ 0 0 119 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.861 114.0 49.5 -67.9 -37.0 23.6 33.1 1.5 63 106 A V H >< S+ 0 0 9 -4,-1.4 3,-0.7 1,-0.2 -1,-0.2 0.943 109.7 50.3 -65.5 -48.2 22.8 30.2 -0.7 64 107 A L H >< S+ 0 0 16 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.851 105.7 53.8 -65.0 -37.6 19.6 29.1 1.1 65 108 A E H 3< S+ 0 0 155 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.778 104.9 58.4 -67.0 -23.4 18.0 32.6 1.1 66 109 A S T << S+ 0 0 52 -4,-0.7 2,-0.3 -3,-0.7 -1,-0.3 0.324 103.8 60.3 -89.6 7.2 18.5 32.8 -2.6 67 110 A V < - 0 0 13 -3,-1.4 -60,-0.2 1,-0.1 3,-0.1 -0.955 57.7-153.3-137.9 158.2 16.4 29.6 -3.4 68 111 A D S S+ 0 0 58 -62,-2.0 2,-0.3 -2,-0.3 -61,-0.2 0.710 86.3 16.9 -95.1 -29.3 13.0 28.1 -3.0 69 112 A V E -b 7 0A 0 -63,-2.1 -61,-2.0 24,-0.1 2,-0.4 -0.999 64.2-142.4-148.3 144.6 14.0 24.5 -3.0 70 113 A V E -bd 8 95A 0 24,-1.9 26,-1.8 -2,-0.3 -61,-0.2 -0.894 4.6-161.1-105.3 136.7 17.1 22.4 -2.4 71 114 A F E -b 9 0A 0 -63,-3.4 -61,-1.2 -2,-0.4 2,-0.2 -0.882 23.7-165.7-114.3 94.1 17.8 19.3 -4.5 72 115 A P E -b 10 0A 4 0, 0.0 2,-0.9 0, 0.0 -61,-0.2 -0.581 23.0-134.9 -90.4 143.7 20.4 17.5 -2.4 73 116 A V - 0 0 14 -63,-3.0 2,-2.1 -2,-0.2 -61,-0.3 -0.851 18.7-156.7 -91.2 105.6 22.6 14.6 -3.4 74 117 A L + 0 0 23 -2,-0.9 7,-1.8 218,-0.2 2,-0.3 -0.403 57.1 97.5 -86.0 62.7 22.3 12.3 -0.4 75 118 A H E +E 80 0B 66 -2,-2.1 -63,-0.5 5,-0.3 5,-0.2 -0.994 41.3 168.6-152.8 145.7 25.6 10.5 -1.1 76 119 A G E > -E 79 0B 9 3,-3.1 3,-2.5 -2,-0.3 -60,-0.1 -0.837 56.4 -68.8-147.8-175.8 29.2 10.7 0.1 77 120 A P T 3 S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 -61,-0.0 0.732 131.5 45.1 -55.8 -23.2 32.5 8.8 -0.0 78 121 A Y T 3 S- 0 0 214 1,-0.3 2,-0.3 2,-0.1 78,-0.0 0.297 121.0 -99.4-106.6 9.7 31.0 6.0 2.2 79 122 A G E < S+E 76 0B 15 -3,-2.5 -3,-3.1 77,-0.1 -1,-0.3 -0.883 85.1 23.2 118.2-146.9 27.7 5.7 0.4 80 123 A E E -E 75 0B 90 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.3 -0.293 61.4-178.4 -56.4 140.3 24.2 7.1 1.2 81 124 A D + 0 0 68 -7,-1.8 3,-0.3 210,-0.1 -6,-0.1 -0.810 17.9 173.1-151.8 102.8 24.4 10.2 3.4 82 125 A G >> + 0 0 18 -2,-0.3 3,-1.7 1,-0.2 4,-0.5 0.255 45.5 116.8 -96.4 11.2 21.3 11.9 4.6 83 126 A T H >> + 0 0 113 1,-0.3 3,-1.5 2,-0.2 4,-0.8 0.857 67.6 58.1 -45.7 -51.2 23.1 14.3 6.9 84 127 A I H 3> S+ 0 0 21 -3,-0.3 4,-2.5 1,-0.3 -1,-0.3 0.738 89.6 74.7 -59.2 -24.6 22.1 17.5 5.1 85 128 A Q H <> S+ 0 0 3 -3,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.863 94.1 51.8 -57.6 -37.5 18.4 16.7 5.5 86 129 A G H S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 4,-1.4 0.866 110.5 52.2 -61.7 -38.7 17.5 21.8 5.8 89 132 A E H <5S+ 0 0 81 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.903 113.4 46.6 -60.5 -39.5 14.7 20.8 8.2 90 133 A L H <5S+ 0 0 136 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.834 111.6 49.2 -73.0 -35.1 16.3 23.1 10.7 91 134 A A H <5S- 0 0 55 -4,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.666 109.1-123.7 -80.4 -17.1 16.7 26.0 8.2 92 135 A G T <5 + 0 0 65 -4,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.781 61.1 144.2 80.1 28.0 13.0 25.6 7.2 93 136 A V < - 0 0 20 -5,-2.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.866 50.8-123.8-103.3 128.7 13.9 25.1 3.5 94 137 A P + 0 0 54 0, 0.0 -24,-1.9 0, 0.0 2,-0.3 -0.405 39.6 170.8 -64.7 147.4 11.9 22.7 1.4 95 138 A Y B -d 70 0A 16 -26,-0.2 2,-0.6 2,-0.1 -24,-0.2 -0.987 40.4 -99.5-155.9 152.5 14.0 20.0 -0.3 96 139 A V S S+ 0 0 6 -26,-1.8 2,-0.2 -2,-0.3 223,-0.1 -0.684 74.0 97.6 -74.9 119.5 13.6 16.7 -2.3 97 140 A G S S- 0 0 12 -2,-0.6 -2,-0.1 221,-0.1 194,-0.1 -0.849 81.8 -98.2 170.2 160.9 14.0 13.8 0.1 98 141 A A S S- 0 0 1 192,-0.6 4,-0.4 -2,-0.2 171,-0.1 0.733 71.6-121.2 -63.9 -22.4 12.4 11.1 2.3 99 142 A G > - 0 0 2 1,-0.1 4,-2.0 3,-0.1 5,-0.2 -0.062 25.0 -73.8 97.3 159.3 12.9 13.3 5.3 100 143 A V H > S+ 0 0 65 -15,-0.2 4,-2.0 1,-0.2 5,-0.1 0.893 126.3 45.4 -54.3 -47.6 14.8 12.9 8.6 101 144 A L H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.934 112.9 45.8 -70.4 -49.9 12.3 10.5 10.2 102 145 A A H > S+ 0 0 5 -4,-0.4 4,-3.4 1,-0.2 -1,-0.2 0.884 114.4 51.2 -61.4 -36.8 11.6 8.1 7.3 103 146 A S H X S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.899 107.8 50.6 -69.1 -39.6 15.4 7.9 6.7 104 147 A A H X S+ 0 0 40 -4,-2.0 4,-0.6 -5,-0.2 -2,-0.2 0.940 115.3 44.5 -62.4 -45.2 16.1 7.1 10.3 105 148 A V H >< S+ 0 0 1 -4,-2.4 3,-2.0 1,-0.2 7,-0.5 0.968 112.9 50.2 -58.4 -55.3 13.5 4.4 10.2 106 149 A G H 3< S+ 0 0 20 -4,-3.4 182,-0.2 1,-0.3 -1,-0.2 0.796 106.5 57.4 -54.8 -31.2 14.7 3.1 6.8 107 150 A M H 3< S+ 0 0 57 -4,-2.1 2,-0.7 -5,-0.2 48,-0.5 0.652 95.9 72.6 -74.8 -16.4 18.3 3.0 8.2 108 151 A D B S+ 0 0 50 44,-2.2 4,-2.8 -2,-0.7 5,-0.3 0.883 90.6 52.5 -56.4 -42.1 16.5 -2.9 9.9 110 153 A E H > S+ 0 0 14 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.971 113.7 40.7 -57.5 -56.6 14.6 -3.8 13.0 111 154 A F H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.889 116.0 51.3 -63.0 -40.5 12.2 -0.8 12.8 112 155 A T H X S+ 0 0 11 -4,-2.8 4,-2.7 -7,-0.5 5,-0.2 0.969 113.6 43.1 -59.9 -53.4 11.8 -1.2 9.1 113 156 A K H X S+ 0 0 9 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.920 113.9 52.6 -61.0 -43.1 11.0 -4.9 9.3 114 157 A K H X S+ 0 0 39 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.924 112.6 43.4 -55.6 -49.4 8.7 -4.2 12.3 115 158 A L H X S+ 0 0 1 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.916 114.6 49.9 -66.0 -43.9 6.7 -1.5 10.5 116 159 A L H ><>S+ 0 0 3 -4,-2.7 5,-2.1 -5,-0.2 3,-1.0 0.961 113.7 44.6 -57.0 -55.3 6.5 -3.5 7.2 117 160 A A H ><5S+ 0 0 50 -4,-2.8 3,-2.7 1,-0.3 -1,-0.2 0.882 105.0 63.1 -58.6 -40.2 5.3 -6.7 9.0 118 161 A A H 3<5S+ 0 0 34 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.813 104.1 49.1 -55.0 -29.9 2.8 -4.6 11.1 119 162 A D T <<5S- 0 0 47 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.239 125.6-103.8 -94.8 13.9 1.1 -3.7 7.8 120 163 A G T < 5S+ 0 0 58 -3,-2.7 -3,-0.2 1,-0.2 -2,-0.1 0.708 71.1 149.0 74.3 21.0 1.0 -7.3 6.7 121 164 A L < - 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