==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-MAR-09 3GHA . COMPND 2 MOLECULE: DISULFIDE BOND FORMATION PROTEIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.CROW,A.LEWIN,L.HEDERSTEDT,N.E.LE-BRUN . 186 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 9 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.8 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 1 0 1 1 2 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 37 A N 0 0 154 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -92.1 15.0 13.5 52.6 2 38 A D - 0 0 115 1,-0.1 151,-0.1 151,-0.0 0, 0.0 -0.859 360.0 -77.5-119.0 159.9 13.8 17.1 52.0 3 39 A A - 0 0 23 -2,-0.3 149,-0.2 1,-0.1 2,-0.2 -0.263 58.1-109.6 -51.1 140.6 13.8 19.3 49.0 4 40 A V - 0 0 51 147,-2.7 2,-0.1 1,-0.1 -1,-0.1 -0.514 22.2-120.2 -82.2 140.3 17.2 20.7 48.3 5 41 A S + 0 0 100 -2,-0.2 2,-0.2 160,-0.1 159,-0.2 -0.466 67.4 87.5 -67.9 147.2 18.1 24.3 48.8 6 42 A G S S- 0 0 24 157,-1.8 145,-0.0 -2,-0.1 -2,-0.0 -0.562 82.3 -72.4 139.6 161.6 19.3 26.0 45.7 7 43 A Q - 0 0 89 -2,-0.2 156,-0.2 156,-0.0 2,-0.2 -0.743 45.3-140.2 -85.0 114.7 18.0 27.8 42.7 8 44 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 154,-0.1 -0.497 23.2-112.1 -72.5 144.0 16.2 25.5 40.2 9 45 A S - 0 0 70 -2,-0.2 138,-0.0 1,-0.1 0, 0.0 -0.583 23.9-167.7 -72.7 132.2 16.9 26.2 36.6 10 46 A I > + 0 0 37 -2,-0.3 3,-2.3 3,-0.1 -1,-0.1 0.232 37.0 141.0-101.3 14.6 13.8 27.5 34.8 11 47 A K T 3 S+ 0 0 170 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.346 77.5 5.7 -59.2 129.7 15.3 27.1 31.3 12 48 A G T 3 S+ 0 0 37 1,-0.2 -1,-0.3 -2,-0.0 -2,-0.0 0.497 105.9 122.5 76.5 3.0 12.7 25.8 28.9 13 49 A Q S < S- 0 0 6 -3,-2.3 -1,-0.2 1,-0.1 49,-0.1 -0.651 73.6 -91.8 -97.6 154.6 9.9 26.1 31.5 14 50 A P - 0 0 0 0, 0.0 47,-1.0 0, 0.0 2,-0.3 -0.378 50.1-171.4 -58.0 139.5 6.7 28.0 31.4 15 51 A V E -A 60 0A 53 45,-0.2 2,-0.4 71,-0.1 45,-0.2 -0.977 17.0-165.4-136.9 146.4 7.2 31.5 32.8 16 52 A L E +A 59 0A 50 43,-2.4 43,-3.0 -2,-0.3 2,-0.2 -0.997 53.1 33.4-130.5 128.7 4.9 34.3 33.8 17 53 A G S S- 0 0 27 -2,-0.4 41,-0.2 41,-0.2 2,-0.1 -0.633 94.2 -27.1 124.3-179.8 6.1 37.8 34.5 18 54 A K > - 0 0 93 39,-0.4 3,-1.8 34,-0.4 -2,-0.1 -0.425 48.8-131.7 -72.8 141.3 8.8 40.3 33.5 19 55 A D T 3 S+ 0 0 142 1,-0.3 -1,-0.1 -2,-0.1 39,-0.1 0.856 107.4 48.6 -56.1 -39.3 12.1 38.9 32.2 20 56 A D T 3 S+ 0 0 138 37,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.268 76.6 139.4 -90.6 9.1 14.0 41.2 34.5 21 57 A A < - 0 0 10 -3,-1.8 35,-0.2 1,-0.1 37,-0.1 -0.329 50.2-141.4 -56.1 133.1 12.1 40.4 37.6 22 58 A P S S+ 0 0 52 0, 0.0 2,-0.4 0, 0.0 35,-0.2 0.720 81.7 54.7 -74.3 -21.4 14.6 40.1 40.5 23 59 A V E -b 57 0A 0 33,-1.7 35,-2.3 139,-0.1 2,-0.5 -0.958 67.0-158.5-118.1 131.5 12.8 37.2 42.3 24 60 A T E -b 58 0A 22 -2,-0.4 138,-3.3 33,-0.2 2,-0.5 -0.937 5.1-165.8-106.8 124.7 12.0 33.9 40.6 25 61 A V E -bC 59 161A 0 33,-2.7 35,-2.5 -2,-0.5 2,-0.5 -0.957 8.4-168.7-109.0 124.9 9.2 31.8 42.2 26 62 A V E -bC 60 160A 0 134,-2.1 134,-2.8 -2,-0.5 2,-0.5 -0.962 7.9-159.5-116.6 130.4 9.1 28.2 41.0 27 63 A E E -bC 61 159A 2 33,-2.8 35,-2.9 -2,-0.5 2,-0.7 -0.955 4.9-159.0-105.2 123.5 6.3 25.7 41.7 28 64 A F E +bC 62 158A 0 130,-2.9 130,-1.9 -2,-0.5 2,-0.3 -0.909 40.5 153.2 -92.3 110.8 6.9 22.0 41.4 29 65 A G E -b 63 0A 0 33,-2.2 35,-2.2 -2,-0.7 2,-0.4 -0.875 42.4-138.4-142.9 176.4 3.4 20.7 40.9 30 66 A D > - 0 0 1 -2,-0.3 3,-1.8 33,-0.2 6,-0.2 -0.999 19.5-136.2-143.6 127.3 1.1 18.0 39.5 31 67 A Y T 3 S+ 0 0 2 -2,-0.4 69,-0.1 1,-0.3 34,-0.1 0.677 107.7 52.0 -62.8 -17.3 -2.2 18.6 37.8 32 68 A K T 3 S+ 0 0 31 68,-0.1 -1,-0.3 4,-0.0 39,-0.1 0.406 85.2 106.9 -96.2 -1.2 -3.7 15.7 39.8 33 69 A C <> - 0 0 6 -3,-1.8 4,-1.6 1,-0.1 3,-0.2 -0.694 58.6-155.0 -83.2 121.8 -2.6 17.1 43.1 34 70 A P H > S+ 0 0 78 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.799 96.5 55.2 -67.2 -26.3 -5.4 18.5 45.3 35 71 A S H > S+ 0 0 46 2,-0.2 4,-2.4 121,-0.2 5,-0.1 0.861 105.5 52.4 -73.4 -33.2 -2.9 20.7 47.2 36 72 A C H > S+ 0 0 0 2,-0.2 4,-2.4 -6,-0.2 -1,-0.2 0.854 105.6 55.0 -67.1 -32.9 -1.8 22.2 43.8 37 73 A K H X S+ 0 0 45 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.934 109.9 46.7 -63.3 -43.4 -5.4 22.9 43.0 38 74 A V H X>S+ 0 0 58 -4,-1.8 4,-3.2 2,-0.2 5,-0.6 0.914 111.1 50.8 -63.5 -43.5 -5.6 24.9 46.3 39 75 A F H X>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.2 4,-1.7 0.939 110.3 51.7 -58.2 -45.2 -2.3 26.7 45.6 40 76 A N H <5S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.886 120.5 31.2 -60.1 -41.6 -3.7 27.6 42.1 41 77 A S H <5S+ 0 0 65 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.854 131.2 28.2 -87.0 -35.4 -6.9 29.0 43.4 42 78 A D H <5S+ 0 0 90 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.755 130.0 21.2-103.0 -31.0 -6.0 30.4 46.8 43 79 A I T >X S+ 0 0 49 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.813 106.1 52.9 -61.6 -29.0 -3.5 34.9 42.6 46 82 A K H <> S+ 0 0 105 -3,-1.2 4,-2.8 2,-0.2 5,-0.3 0.908 108.0 49.1 -71.0 -42.5 -2.1 36.7 45.6 47 83 A I H X>S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-1.9 0.913 112.0 51.6 -60.9 -40.2 1.5 36.3 44.3 48 84 A Q H <>S+ 0 0 34 -4,-2.5 5,-2.6 3,-0.2 4,-0.5 0.993 115.1 38.9 -58.0 -61.3 0.2 37.6 40.9 49 85 A K H <5S+ 0 0 130 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.876 122.6 41.4 -57.9 -43.7 -1.4 40.7 42.4 50 86 A D H <5S- 0 0 62 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.783 137.2 -1.9 -77.0 -30.0 1.2 41.5 45.0 51 87 A F T <>S+ 0 0 8 -4,-2.1 5,-2.3 -5,-0.3 6,-1.2 0.681 121.0 55.7-133.7 -43.5 4.3 40.8 42.9 52 88 A I T > > S- 0 0 70 1,-0.3 4,-0.5 -3,-0.2 3,-0.5 -0.218 98.8-114.5-119.5 43.6 -0.3 10.5 40.5 68 104 A G H >> S- 0 0 46 -3,-0.4 4,-1.5 1,-0.2 3,-0.5 -0.216 72.2 -11.5 74.9-151.1 0.2 7.8 37.8 69 105 A K H 3> S+ 0 0 155 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.858 130.5 56.0 -62.9 -36.7 -0.8 7.8 34.2 70 106 A G H <> S+ 0 0 1 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.849 104.0 54.3 -64.7 -35.6 -3.1 10.8 34.4 71 107 A S H < + 0 0 9 -4,-2.5 3,-1.6 -5,-0.3 4,-0.4 -0.408 65.0 161.6-148.5 66.2 1.0 28.7 22.2 86 122 A P G > S+ 0 0 52 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.807 72.9 65.9 -59.9 -30.5 2.9 30.1 25.2 87 123 A D G 3 S+ 0 0 152 1,-0.3 3,-0.1 2,-0.1 4,-0.1 0.753 110.3 39.1 -64.9 -21.7 0.8 33.3 25.2 88 124 A S G X> S+ 0 0 20 -3,-1.6 4,-1.9 -7,-0.2 3,-0.8 0.392 88.5 101.1-100.8 -3.0 -2.2 31.1 26.2 89 125 A F H <> S+ 0 0 0 -3,-1.3 4,-2.8 -4,-0.4 5,-0.2 0.881 78.9 49.3 -56.5 -45.9 -0.3 28.8 28.5 90 126 A W H 3> S+ 0 0 19 -4,-0.5 4,-1.7 1,-0.2 -1,-0.3 0.750 109.2 53.7 -73.5 -19.8 -1.4 30.2 31.8 91 127 A D H <> S+ 0 0 93 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.920 112.0 43.7 -75.2 -44.6 -5.0 30.2 30.8 92 128 A F H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.908 113.1 54.0 -59.7 -45.3 -4.9 26.5 29.9 93 129 A H H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.931 108.8 47.2 -57.3 -50.6 -2.9 25.8 33.1 94 130 A E H X S+ 0 0 40 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.896 111.7 50.9 -63.8 -38.4 -5.5 27.4 35.3 95 131 A K H X S+ 0 0 90 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.820 105.7 54.3 -69.4 -31.0 -8.4 25.6 33.5 96 132 A L H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.927 111.5 46.1 -68.8 -41.6 -6.9 22.2 33.9 97 133 A F H >< S+ 0 0 0 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.902 110.3 52.7 -63.4 -40.8 -6.6 22.8 37.7 98 134 A E H 3< S+ 0 0 106 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 107.4 54.4 -63.8 -31.2 -10.1 24.1 37.8 99 135 A K H 3< S+ 0 0 128 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.733 78.6 111.8 -72.9 -24.2 -11.2 20.9 36.1 100 136 A Q << - 0 0 7 -4,-0.9 2,-0.1 -3,-0.6 -68,-0.1 -0.332 64.6-140.9 -56.8 123.3 -9.6 18.7 38.7 101 137 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.346 16.7-116.1 -84.9 169.5 -12.5 17.0 40.6 102 138 A D S S+ 0 0 150 -2,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.093 85.9 97.5 -95.4 26.2 -12.6 16.4 44.3 103 139 A T S S- 0 0 96 2,-0.1 4,-0.1 1,-0.1 0, 0.0 -0.757 71.4-134.9-112.4 159.0 -12.6 12.6 43.7 104 140 A E S S+ 0 0 178 -2,-0.3 2,-0.1 2,-0.1 3,-0.1 0.565 70.6 98.8 -93.7 -10.9 -9.7 10.1 43.8 105 141 A Q S S- 0 0 150 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 -0.431 90.7 -79.2 -80.2 154.7 -10.4 8.0 40.7 106 142 A E + 0 0 68 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.237 54.3 162.0 -53.0 136.3 -8.6 8.7 37.4 107 143 A W + 0 0 36 -3,-0.1 2,-0.6 -4,-0.1 -1,-0.1 0.394 38.3 103.8-133.7 -11.7 -10.1 11.7 35.6 108 144 A V + 0 0 5 4,-0.1 -35,-0.1 3,-0.0 -37,-0.0 -0.722 42.0 154.5 -87.6 119.6 -7.4 12.7 33.1 109 145 A T > - 0 0 69 -2,-0.6 4,-1.9 1,-0.1 5,-0.2 -0.929 54.8-109.6-135.1 164.4 -8.2 11.6 29.5 110 146 A P H > S+ 0 0 59 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.888 117.4 56.4 -62.9 -36.9 -7.2 12.9 26.0 111 147 A G H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.910 106.2 50.3 -60.7 -40.6 -10.7 14.1 25.4 112 148 A L H > S+ 0 0 37 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.956 113.1 44.2 -62.2 -48.7 -10.6 16.3 28.5 113 149 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.856 110.4 56.5 -67.1 -34.8 -7.2 17.9 27.6 114 150 A G H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.887 104.8 52.2 -60.5 -41.5 -8.4 18.3 24.0 115 151 A D H X S+ 0 0 110 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.832 108.2 50.7 -64.5 -35.9 -11.4 20.3 25.2 116 152 A L H X S+ 0 0 3 -4,-1.4 4,-2.0 2,-0.2 5,-0.3 0.909 107.0 53.3 -68.2 -43.2 -9.2 22.7 27.2 117 153 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 6,-0.3 0.922 108.6 52.6 -54.2 -43.9 -6.9 23.3 24.3 118 154 A K H < S+ 0 0 148 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.859 115.1 38.1 -64.0 -37.4 -10.0 24.3 22.3 119 155 A S H < S+ 0 0 88 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.729 126.8 29.9 -86.2 -22.7 -11.3 26.8 24.9 120 156 A T H < S+ 0 0 24 -4,-2.0 2,-0.2 -5,-0.1 -28,-0.2 0.635 114.6 36.7-117.9 -16.4 -8.1 28.4 26.0 121 157 A T S < S- 0 0 19 -4,-1.9 -36,-0.0 -5,-0.3 -40,-0.0 -0.679 74.0-111.0-131.6 179.4 -5.6 28.4 23.2 122 158 A K S S+ 0 0 174 -2,-0.2 2,-0.3 2,-0.1 -4,-0.1 0.305 81.6 113.3 -90.8 3.3 -5.0 28.6 19.4 123 159 A I S S- 0 0 16 -6,-0.3 -2,-0.2 -38,-0.1 -3,-0.1 -0.608 71.7-117.1 -85.9 137.7 -4.2 24.9 19.3 124 160 A K >> - 0 0 132 -2,-0.3 4,-2.5 1,-0.1 3,-0.6 -0.543 14.9-135.7 -74.7 130.1 -6.4 22.4 17.5 125 161 A P H 3> S+ 0 0 23 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.884 105.8 51.0 -50.8 -45.5 -7.9 19.7 19.8 126 162 A E H 3> S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.845 109.5 51.3 -66.6 -31.1 -7.1 16.9 17.3 127 163 A T H <> S+ 0 0 48 -3,-0.6 4,-2.4 2,-0.2 5,-0.2 0.963 111.0 46.8 -65.5 -52.3 -3.5 18.1 17.1 128 164 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.931 114.0 49.1 -54.3 -46.9 -3.1 18.1 20.8 129 165 A K H X S+ 0 0 92 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.847 108.4 52.1 -66.7 -36.0 -4.7 14.7 21.1 130 166 A E H X S+ 0 0 109 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.934 110.2 49.8 -61.8 -43.8 -2.5 13.2 18.3 131 167 A N H X>S+ 0 0 14 -4,-2.4 5,-1.8 1,-0.2 4,-0.9 0.846 107.7 53.4 -66.4 -33.6 0.6 14.4 20.2 132 168 A L H <5S+ 0 0 7 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.907 109.6 49.0 -65.2 -41.3 -0.6 12.9 23.4 133 169 A D H <5S+ 0 0 142 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.932 116.9 39.8 -65.1 -44.7 -1.1 9.6 21.7 134 170 A K H <5S- 0 0 122 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.622 103.7-131.5 -75.6 -12.4 2.4 9.7 20.1 135 171 A E T ><5 + 0 0 85 -4,-0.9 3,-2.2 -5,-0.2 4,-0.2 0.876 41.4 170.8 53.0 42.2 3.9 11.1 23.3 136 172 A T T 3 > S+ 0 0 30 -6,-0.3 4,-1.3 1,-0.2 3,-1.0 0.133 73.1 118.2-101.8 21.4 6.7 15.8 24.1 138 174 A A H <> S+ 0 0 22 -3,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.825 70.4 61.9 -55.0 -34.8 7.9 12.9 26.3 139 175 A S H 3> S+ 0 0 82 -3,-0.4 4,-1.8 -4,-0.2 -1,-0.2 0.862 102.8 50.4 -62.3 -34.3 11.5 14.4 26.3 140 176 A Q H <> S+ 0 0 64 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.828 109.4 49.8 -73.3 -34.2 10.2 17.6 28.0 141 177 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.867 110.6 50.4 -70.2 -36.7 8.4 15.6 30.7 142 178 A E H X S+ 0 0 89 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.882 107.5 53.8 -68.9 -37.3 11.6 13.6 31.3 143 179 A K H X S+ 0 0 70 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.860 109.2 49.3 -59.8 -39.6 13.5 16.9 31.6 144 180 A D H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.917 110.3 50.0 -67.1 -45.3 11.1 18.0 34.2 145 181 A S H X S+ 0 0 20 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.900 107.4 54.0 -59.9 -41.0 11.5 14.7 36.1 146 182 A D H X S+ 0 0 103 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.925 110.9 46.5 -58.7 -44.5 15.3 15.0 36.0 147 183 A L H X S+ 0 0 19 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.911 109.8 53.5 -65.5 -43.8 14.9 18.5 37.5 148 184 A N H <>S+ 0 0 11 -4,-2.8 5,-2.4 -85,-0.2 4,-0.3 0.891 111.8 45.9 -51.5 -46.2 12.4 17.1 40.2 149 185 A Q H ><5S+ 0 0 143 -4,-2.4 3,-1.2 3,-0.2 -2,-0.2 0.908 108.5 55.2 -69.6 -40.6 14.9 14.5 41.1 150 186 A K H 3<5S+ 0 0 160 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.896 112.9 42.5 -58.8 -41.3 17.8 16.9 41.2 151 187 A M T 3<5S- 0 0 6 -4,-2.3 -147,-2.7 -5,-0.1 -1,-0.3 0.451 109.7-126.6 -86.4 -0.1 15.9 19.1 43.7 152 188 A N T < 5 - 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