==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-NOV-07 3BD2 . COMPND 2 MOLECULE: DISULFIDE BOND PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.HERAS,L.THONY-MEYER,J.L.MARTIN . 164 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 4.9 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 0.6 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 . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 42.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.0 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 1 1 1 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 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 14 A G 0 0 131 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-150.0 31.7 2.9 -5.2 2 15 A K - 0 0 103 1,-0.1 35,-0.2 35,-0.1 36,-0.1 -0.407 360.0 -96.7 -70.2 138.7 28.7 4.4 -3.5 3 16 A P - 0 0 37 0, 0.0 35,-3.0 0, 0.0 2,-0.6 -0.237 34.1-137.4 -54.0 139.2 26.4 6.7 -5.6 4 17 A L E -a 38 0A 67 33,-0.2 142,-2.5 -3,-0.1 2,-0.6 -0.916 15.6-165.4-105.3 114.5 27.1 10.4 -5.2 5 18 A V E -aB 39 145A 0 33,-3.1 35,-2.3 -2,-0.6 2,-0.5 -0.891 8.7-171.4-100.2 123.2 24.0 12.6 -4.9 6 19 A V E -aB 40 144A 9 138,-3.2 138,-2.4 -2,-0.6 2,-0.5 -0.966 8.1-169.9-119.6 131.6 24.8 16.3 -5.4 7 20 A V E -aB 41 143A 4 33,-2.6 35,-3.1 -2,-0.5 2,-0.4 -0.981 8.7-155.7-119.7 125.5 22.3 19.1 -4.8 8 21 A Y E +aB 42 142A 11 134,-2.8 134,-1.1 -2,-0.5 2,-0.3 -0.857 40.6 105.8-100.0 134.0 23.2 22.6 -5.9 9 22 A G E -a 43 0A 0 33,-2.7 35,-2.8 -2,-0.4 36,-0.6 -0.896 55.3-107.8-172.1-157.7 21.4 25.4 -4.0 10 23 A D > - 0 0 0 -2,-0.3 3,-1.2 33,-0.2 6,-0.2 -0.948 25.3-125.9-158.7 139.5 21.4 28.3 -1.5 11 24 A Y T 3 S+ 0 0 0 -2,-0.3 69,-0.0 1,-0.3 -1,-0.0 0.697 114.5 51.5 -64.3 -16.1 19.9 28.5 1.9 12 25 A K T 3 S+ 0 0 2 68,-0.1 -1,-0.3 36,-0.1 71,-0.1 0.604 83.2 106.9 -94.3 -13.7 18.1 31.7 0.7 13 26 A a <> - 0 0 9 -3,-1.2 4,-1.1 1,-0.2 -3,-0.2 -0.547 60.8-152.5 -71.3 116.4 16.7 30.1 -2.4 14 27 A P H > S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 3,-0.4 0.880 95.5 48.3 -54.1 -45.6 12.9 29.6 -1.9 15 28 A Y H > S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.836 105.1 59.0 -67.4 -32.8 12.7 26.6 -4.3 16 29 A a H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.806 102.5 55.1 -64.9 -27.9 15.7 25.0 -2.6 17 30 A K H X S+ 0 0 50 -4,-1.1 4,-2.3 -3,-0.4 -1,-0.2 0.896 105.3 52.1 -71.1 -40.3 13.6 25.1 0.6 18 31 A E H X S+ 0 0 66 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.910 107.5 51.9 -61.8 -42.6 10.9 23.2 -1.2 19 32 A L H X>S+ 0 0 4 -4,-2.1 4,-3.3 1,-0.2 5,-0.8 0.956 109.4 49.8 -59.0 -49.7 13.3 20.5 -2.3 20 33 A D H X5S+ 0 0 9 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.925 114.2 44.5 -54.9 -47.4 14.6 20.1 1.3 21 34 A E H <5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 122.4 36.5 -65.8 -40.1 11.0 19.8 2.7 22 35 A K H <5S+ 0 0 112 -4,-2.6 134,-0.4 -5,-0.2 4,-0.2 0.789 130.0 22.7 -85.2 -30.8 9.8 17.4 -0.1 23 36 A V H X5S+ 0 0 0 -4,-3.3 4,-2.5 -5,-0.3 3,-0.4 0.855 106.1 64.5-106.4 -47.5 12.9 15.2 -0.7 24 37 A M H X S+ 0 0 71 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.963 117.0 30.9 -54.9 -51.7 13.1 13.4 4.8 26 39 A K H > S+ 0 0 107 -3,-0.4 4,-2.7 -4,-0.2 5,-0.3 0.864 119.9 52.7 -73.9 -38.2 12.8 10.2 2.6 27 40 A L H X>S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 5,-1.9 0.912 111.8 47.6 -64.3 -40.9 16.2 10.5 0.9 28 41 A R H <>S+ 0 0 48 -4,-3.1 5,-2.9 -5,-0.2 6,-0.4 0.937 116.4 41.9 -64.5 -49.0 17.8 10.8 4.3 29 42 A K H <5S+ 0 0 159 -4,-1.9 -2,-0.2 -5,-0.4 -1,-0.2 0.897 124.2 36.4 -67.5 -40.0 16.0 7.8 5.9 30 43 A N H <5S+ 0 0 62 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.731 136.4 2.7 -89.7 -22.8 16.2 5.6 2.8 31 44 A Y T <>S+ 0 0 25 -4,-2.4 5,-2.0 -5,-0.3 6,-1.7 0.656 123.4 46.0-134.8 -30.9 19.7 6.4 1.4 32 45 A I T > > S- 0 0 40 -2,-0.2 3,-1.4 -3,-0.2 4,-0.5 -0.264 70.4 -82.8 118.1 153.9 23.1 38.2 -1.1 49 62 A K T 34 S+ 0 0 152 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.607 124.3 61.1 -68.5 -10.6 26.3 38.8 0.9 50 63 A D T 3> S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.668 86.7 77.1 -86.2 -18.0 24.8 36.9 3.9 51 64 A S H <> S+ 0 0 0 -3,-1.4 4,-1.9 1,-0.2 -40,-0.2 0.911 93.4 48.8 -55.8 -46.5 24.5 33.8 1.8 52 65 A I H X S+ 0 0 21 -4,-0.5 4,-2.3 -7,-0.2 -1,-0.2 0.826 107.4 55.8 -65.3 -31.8 28.2 33.0 2.0 53 66 A V H > S+ 0 0 23 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.927 108.3 47.4 -67.0 -42.4 28.1 33.5 5.8 54 67 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.875 110.2 54.1 -64.6 -36.3 25.4 30.9 6.1 55 68 A S H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.905 107.0 50.0 -64.6 -42.3 27.4 28.6 3.8 56 69 A R H X S+ 0 0 30 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.942 111.4 48.1 -61.3 -47.3 30.5 28.9 6.0 57 70 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.912 112.2 50.6 -58.7 -42.8 28.4 28.1 9.1 58 71 A S H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.911 110.7 47.5 -61.8 -45.9 26.9 25.1 7.3 59 72 A H H X S+ 0 0 23 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.853 109.4 54.4 -66.1 -33.9 30.3 23.8 6.2 60 73 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.930 109.1 48.0 -65.3 -43.8 31.6 24.2 9.8 61 74 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 7,-0.3 0.923 110.9 52.3 -62.0 -42.4 28.7 22.1 11.1 62 75 A L H < S+ 0 0 68 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.929 113.4 42.3 -60.1 -46.3 29.4 19.5 8.4 63 76 A M H < S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 125.9 30.8 -73.1 -31.5 33.1 19.1 9.2 64 77 A Y H < S+ 0 0 52 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.664 135.6 20.6-102.3 -18.2 32.8 19.2 13.1 65 78 A A >< + 0 0 10 -4,-2.6 3,-2.4 -5,-0.3 4,-0.5 -0.373 65.8 162.6-147.3 60.5 29.4 17.6 13.6 66 79 A P G > S+ 0 0 78 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.787 75.1 61.5 -51.7 -34.1 28.5 15.6 10.5 67 80 A K G 3 S+ 0 0 197 1,-0.2 4,-0.1 2,-0.1 -5,-0.1 0.579 108.7 44.3 -73.0 -6.9 25.8 13.6 12.3 68 81 A S G <> S+ 0 0 23 -3,-2.4 4,-2.2 -7,-0.3 -1,-0.2 0.384 88.1 94.9-112.1 -3.2 24.0 16.9 13.0 69 82 A F H <> S+ 0 0 13 -3,-0.9 4,-2.6 -4,-0.5 5,-0.2 0.917 82.8 47.5 -58.5 -49.8 24.4 18.3 9.5 70 83 A L H > S+ 0 0 18 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.862 112.9 49.5 -63.5 -34.1 21.1 17.2 8.0 71 84 A D H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.899 110.1 52.3 -69.3 -38.4 19.1 18.5 11.0 72 85 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.938 110.8 47.2 -61.1 -46.4 21.0 21.8 10.7 73 86 A Q H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.944 112.7 48.1 -60.2 -50.5 20.0 22.0 7.0 74 87 A K H X S+ 0 0 90 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.939 114.9 44.9 -55.3 -51.3 16.4 21.2 7.7 75 88 A Q H X S+ 0 0 63 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.818 113.5 50.4 -65.0 -32.8 16.1 23.7 10.5 76 89 A L H >< S+ 0 0 0 -4,-2.2 3,-0.7 -5,-0.2 4,-0.2 0.920 110.5 47.6 -73.5 -43.9 17.9 26.5 8.6 77 90 A F H >< S+ 0 0 5 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.878 107.7 58.9 -62.1 -35.8 15.8 26.1 5.5 78 91 A A H 3< S+ 0 0 69 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.771 103.5 51.4 -64.6 -25.7 12.8 26.2 7.8 79 92 A A T << S+ 0 0 29 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.373 81.0 139.6 -92.6 4.0 13.8 29.6 9.1 80 93 A Q < - 0 0 32 -3,-1.5 2,-0.2 -4,-0.2 -68,-0.1 -0.158 28.1-177.4 -51.8 137.7 14.2 31.1 5.6 81 94 A Q - 0 0 104 1,-0.2 2,-0.1 4,-0.1 -1,-0.1 -0.434 46.8 -36.3-120.0-165.0 12.9 34.7 5.3 82 95 A D > - 0 0 116 1,-0.2 3,-2.3 -2,-0.2 5,-0.3 -0.404 53.2-136.2 -60.6 127.9 12.6 37.1 2.4 83 96 A Q T 3 S+ 0 0 74 1,-0.3 -1,-0.2 -2,-0.1 -71,-0.1 0.603 102.6 64.9 -63.3 -11.5 15.6 36.6 0.1 84 97 A N T 3 S+ 0 0 160 2,-0.1 2,-0.4 -36,-0.0 -1,-0.3 0.397 90.6 80.0 -91.8 4.0 16.0 40.4 -0.2 85 98 A K S < S- 0 0 101 -3,-2.3 2,-1.8 -37,-0.0 3,-0.2 -0.867 85.0-130.4-106.5 141.9 16.8 40.5 3.6 86 99 A E + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -38,-0.1 -0.550 51.0 153.7 -88.2 68.6 20.3 39.6 4.7 87 100 A W + 0 0 15 -2,-1.8 2,-1.8 -5,-0.3 -1,-0.2 0.586 42.6 89.5 -77.4 -11.1 18.6 37.3 7.3 88 101 A L + 0 0 2 -3,-0.2 -1,-0.2 4,-0.1 2,-0.1 -0.473 62.3 160.7 -86.7 67.5 21.6 34.9 7.6 89 102 A T > - 0 0 61 -2,-1.8 4,-2.8 1,-0.1 5,-0.2 -0.441 55.2-115.1 -85.6 160.5 23.2 36.9 10.4 90 103 A K H > S+ 0 0 108 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.866 117.7 58.7 -63.1 -33.9 25.8 35.5 12.8 91 104 A E H > S+ 0 0 164 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.958 110.8 39.5 -59.4 -51.4 23.3 36.0 15.5 92 105 A L H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 116.6 50.4 -66.6 -41.0 20.8 33.7 13.8 93 106 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.922 109.9 49.6 -64.9 -42.7 23.4 31.2 12.7 94 107 A D H X S+ 0 0 29 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.912 110.7 51.5 -61.9 -40.5 24.9 30.9 16.2 95 108 A K H X S+ 0 0 121 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.901 110.2 48.3 -63.0 -40.2 21.5 30.3 17.5 96 109 A H H < S+ 0 0 13 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.877 110.8 50.9 -68.5 -36.7 20.9 27.6 15.0 97 110 A I H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 5,-0.4 0.917 109.6 50.0 -65.9 -41.8 24.2 26.0 15.8 98 111 A K H >< S+ 0 0 105 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.743 99.4 67.4 -68.7 -21.9 23.3 26.1 19.6 99 112 A Q T 3< S+ 0 0 63 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.639 85.9 69.8 -71.2 -15.6 20.0 24.4 18.7 100 113 A L T < S- 0 0 21 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.621 97.5-141.9 -76.5 -12.2 21.9 21.3 17.7 101 114 A H < + 0 0 162 -3,-1.3 -3,-0.1 -4,-0.2 -2,-0.1 0.900 38.7 163.8 50.2 51.0 22.7 20.9 21.4 102 115 A L - 0 0 34 -5,-0.4 -1,-0.1 1,-0.2 2,-0.0 -0.360 51.4 -70.6 -86.6 172.3 26.2 19.6 20.8 103 116 A D >> - 0 0 97 1,-0.1 4,-2.3 -2,-0.1 3,-0.7 -0.402 53.6-109.1 -65.3 144.7 28.8 19.5 23.6 104 117 A K H 3> S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.829 115.0 47.4 -41.3 -51.1 29.9 23.0 24.6 105 118 A E H 3> S+ 0 0 134 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.865 110.7 50.6 -67.4 -35.3 33.4 22.9 23.1 106 119 A T H <> S+ 0 0 25 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.921 111.0 51.3 -66.5 -40.5 32.3 21.4 19.7 107 120 A E H X S+ 0 0 16 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.915 111.4 46.0 -60.3 -45.7 29.7 24.2 19.5 108 121 A N H X S+ 0 0 64 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.876 110.0 55.1 -66.3 -36.7 32.4 26.9 20.2 109 122 A K H X S+ 0 0 99 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.918 109.8 45.7 -61.8 -45.4 34.7 25.3 17.7 110 123 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.939 113.0 50.1 -63.0 -48.9 32.1 25.5 14.9 111 124 A I H X S+ 0 0 21 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.896 114.3 43.5 -58.6 -44.4 31.2 29.1 15.8 112 125 A K H >X S+ 0 0 135 -4,-2.5 4,-0.6 1,-0.2 3,-0.5 0.904 110.4 56.5 -70.9 -39.0 34.8 30.3 15.8 113 126 A D H >< S+ 0 0 16 -4,-2.3 3,-0.9 -5,-0.2 9,-0.3 0.896 105.6 47.6 -61.6 -43.7 35.7 28.4 12.6 114 127 A Y H 3< S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.707 113.4 49.5 -74.5 -15.7 33.0 29.9 10.3 115 128 A K H << S+ 0 0 71 -4,-0.7 2,-0.7 -3,-0.5 -1,-0.2 0.469 91.8 94.6 -96.9 -5.3 33.9 33.4 11.5 116 129 A T S X< S- 0 0 48 -3,-0.9 3,-1.9 -4,-0.6 6,-0.3 -0.798 81.4-118.4 -95.8 116.0 37.6 33.0 11.0 117 130 A K T 3 S+ 0 0 144 -2,-0.7 3,-0.1 1,-0.3 -2,-0.1 -0.169 94.4 6.1 -51.0 135.8 39.0 34.2 7.6 118 131 A D T 3 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.623 92.1 144.2 63.5 18.9 40.6 31.4 5.6 119 132 A S <> - 0 0 17 -3,-1.9 4,-2.6 -6,-0.3 5,-0.2 -0.199 69.6 -95.0 -73.5 176.8 39.5 28.6 8.0 120 133 A K H > S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.884 128.8 45.7 -63.8 -39.0 38.5 25.3 6.5 121 134 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.855 111.6 53.9 -72.1 -31.9 34.8 26.2 6.5 122 135 A W H > S+ 0 0 46 -9,-0.3 4,-1.6 -6,-0.3 -2,-0.2 0.937 112.1 43.4 -65.8 -45.3 35.7 29.5 5.0 123 136 A K H X S+ 0 0 121 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.883 111.5 54.2 -66.9 -39.3 37.6 27.8 2.2 124 137 A A H X S+ 0 0 22 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.888 106.4 52.1 -62.9 -40.1 34.9 25.2 1.6 125 138 A A H X S+ 0 0 0 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.914 112.0 45.5 -63.4 -42.9 32.3 27.9 1.2 126 139 A E H >X S+ 0 0 76 -4,-1.6 4,-1.1 1,-0.2 3,-0.8 0.935 109.9 55.5 -65.0 -44.9 34.3 29.7 -1.4 127 140 A K H 3X S+ 0 0 136 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.817 96.6 64.5 -57.4 -34.7 35.1 26.4 -3.2 128 141 A D H 3X S+ 0 0 4 -4,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.898 99.9 52.8 -57.5 -40.1 31.4 25.6 -3.5 129 142 A K H S+ 0 0 5 -4,-2.2 5,-2.4 2,-0.2 -1,-0.2 0.891 115.2 47.8 -64.1 -40.4 29.0 25.1 -9.4 133 146 A K H ><5S+ 0 0 165 -4,-1.8 3,-2.1 -5,-0.2 -2,-0.2 0.971 113.0 45.9 -65.1 -53.9 30.8 27.3 -11.9 134 147 A D H 3<5S+ 0 0 80 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.797 111.2 53.7 -60.0 -30.1 33.1 24.6 -13.3 135 148 A N T 3<5S- 0 0 90 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.358 111.6-124.5 -86.5 6.5 30.2 22.2 -13.4 136 149 A H T < 5 + 0 0 144 -3,-2.1 2,-0.8 1,-0.2 -3,-0.2 0.919 40.6 179.4 51.2 53.0 28.3 24.7 -15.5 137 150 A I < + 0 0 28 -5,-2.4 -1,-0.2 1,-0.1 -2,-0.1 -0.770 9.2 175.3 -88.2 111.8 25.3 24.8 -13.2 138 151 A K + 0 0 187 -2,-0.8 2,-0.3 1,-0.1 -1,-0.1 0.535 59.8 28.2 -96.5 -8.2 22.8 27.3 -14.7 139 152 A T S S- 0 0 92 -130,-0.0 -131,-0.1 -131,-0.0 -1,-0.1 -0.981 77.9-107.2-148.2 156.0 19.8 26.9 -12.3 140 153 A T S S+ 0 0 28 -2,-0.3 -131,-0.1 1,-0.2 -125,-0.1 -0.986 87.2 36.5-138.6 146.3 19.1 26.0 -8.7 141 154 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.554 76.9 147.5 -82.6 150.8 18.0 23.8 -7.2 142 155 A T E -B 8 0A 16 -134,-1.1 -134,-2.8 -2,-0.1 2,-0.3 -0.987 25.8-158.4-143.2 144.8 19.3 21.0 -9.4 143 156 A A E -B 7 0A 1 -2,-0.3 7,-2.4 7,-0.3 2,-0.3 -0.938 6.2-172.1-127.5 149.9 20.4 17.5 -8.4 144 157 A F E -BC 6 149A 44 -138,-2.4 -138,-3.2 -2,-0.3 2,-0.5 -0.990 12.8-156.7-140.3 145.4 22.6 14.9 -9.9 145 158 A I E > S-BC 5 148A 7 3,-2.3 3,-2.0 -2,-0.3 -140,-0.2 -0.977 89.1 -20.0-124.2 112.7 23.4 11.3 -9.0 146 159 A N T 3 S- 0 0 103 -142,-2.5 -1,-0.1 -2,-0.5 -141,-0.1 0.870 129.8 -53.1 54.6 37.6 26.8 10.2 -10.4 147 160 A G T 3 S+ 0 0 61 -143,-0.4 2,-0.4 1,-0.3 -1,-0.3 0.410 111.1 123.5 82.8 -3.9 26.5 13.1 -12.8 148 161 A E E < -C 145 0A 125 -3,-2.0 -3,-2.3 1,-0.0 -1,-0.3 -0.784 66.3-115.1 -93.4 132.2 23.1 12.1 -14.1 149 162 A K E -C 144 0A 120 -2,-0.4 2,-0.7 -5,-0.2 -5,-0.2 -0.405 21.9-123.1 -67.9 136.5 20.4 14.8 -13.8 150 163 A V - 0 0 1 -7,-2.4 -7,-0.3 1,-0.2 9,-0.1 -0.731 18.8-140.0 -80.8 117.9 17.5 14.0 -11.5 151 164 A E S S+ 0 0 127 -2,-0.7 -1,-0.2 7,-0.3 8,-0.0 0.881 92.6 14.6 -42.7 -54.9 14.4 14.4 -13.8 152 165 A D > - 0 0 70 3,-0.2 3,-2.0 1,-0.1 6,-0.3 -0.877 68.4-169.0-129.1 97.8 12.4 16.1 -11.0 153 166 A P T 3 S+ 0 0 15 0, 0.0 -130,-0.1 0, 0.0 -1,-0.1 0.551 86.9 59.5 -63.1 -8.1 14.6 17.3 -8.1 154 167 A Y T 3 S+ 0 0 60 1,-0.1 2,-0.6 -132,-0.1 3,-0.1 0.502 93.3 76.9 -98.1 -5.8 11.4 18.0 -6.1 155 168 A D X> - 0 0 55 -3,-2.0 3,-1.7 1,-0.1 4,-0.9 -0.909 64.9-154.5-114.5 114.3 10.2 14.4 -6.2 156 169 A Y H >> S+ 0 0 14 -2,-0.6 4,-2.1 -134,-0.4 3,-1.1 0.868 96.9 61.0 -48.2 -42.2 11.8 11.7 -4.0 157 170 A E H 3> S+ 0 0 107 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.805 95.5 60.9 -57.0 -32.3 10.7 9.1 -6.6 158 171 A S H <> S+ 0 0 9 -3,-1.7 4,-0.8 -6,-0.3 -7,-0.3 0.829 107.2 45.1 -66.5 -31.0 12.8 10.7 -9.2 159 172 A Y H XX S+ 0 0 1 -3,-1.1 4,-1.9 -4,-0.9 3,-0.7 0.927 111.5 52.5 -75.1 -46.1 15.9 10.1 -7.1 160 173 A E H 3X S+ 0 0 62 -4,-2.1 4,-1.9 1,-0.3 -2,-0.2 0.910 101.3 61.1 -53.7 -46.0 14.8 6.5 -6.4 161 174 A K H 3< S+ 0 0 137 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.866 110.9 40.8 -49.7 -40.5 14.4 5.9 -10.1 162 175 A L H << S+ 0 0 71 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.787 115.1 48.8 -80.0 -30.5 18.1 6.6 -10.5 163 176 A L H < 0 0 26 -4,-1.9 -2,-0.2 -3,-0.1 -1,-0.2 0.586 360.0 360.0 -85.8 -9.9 19.3 4.8 -7.4 164 177 A K < 0 0 204 -4,-1.9 -1,-0.1 -5,-0.2 -4,-0.1 -0.722 360.0 360.0 109.6 360.0 17.2 1.7 -8.5