==== 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 METAL BINDING PROTEIN 12-NOV-09 3KN8 . COMPND 2 MOLECULE: IRON-UTILIZATION PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR S.R.SHOULDICE,A.B.SCHRYVERS . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 1 1 2 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 D 0 0 123 0, 0.0 2,-0.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 152.0 57.5 15.5 10.8 2 2 A I E -a 28 0A 1 25,-2.4 27,-2.7 239,-0.1 2,-0.5 -0.905 360.0-135.6-131.3 155.5 54.4 17.5 10.2 3 3 A T E -a 29 0A 41 47,-0.3 49,-2.6 -2,-0.3 50,-1.7 -0.931 20.1-164.5-106.5 123.2 51.6 19.3 12.1 4 4 A V E -ab 30 53A 0 25,-2.9 27,-2.5 -2,-0.5 2,-0.6 -0.955 14.5-145.0-113.2 113.2 48.0 18.8 10.9 5 5 A Y E -ab 31 54A 6 48,-2.3 50,-2.8 -2,-0.6 2,-0.6 -0.740 29.7-155.9 -68.8 120.1 45.3 21.1 12.1 6 6 A N E +ab 32 55A 2 25,-2.0 27,-2.0 -2,-0.6 50,-0.2 -0.917 38.2 159.8-117.1 113.4 42.4 18.7 12.3 7 7 A G + 0 0 13 48,-3.2 28,-0.4 -2,-0.6 49,-0.2 0.445 58.8 92.7 -99.1 -8.0 38.7 19.5 12.1 8 8 A Q S S- 0 0 11 47,-0.7 25,-0.2 1,-0.2 47,-0.1 -0.376 95.8 -69.9 -80.7 161.8 37.7 16.0 11.2 9 9 A H > - 0 0 98 1,-0.1 4,-2.5 -2,-0.1 3,-0.3 -0.233 45.5-121.5 -44.2 138.4 36.6 13.3 13.7 10 10 A K H > S+ 0 0 59 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.797 110.0 54.5 -62.4 -32.7 39.6 12.1 15.8 11 11 A E H > S+ 0 0 43 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.878 110.8 44.9 -69.5 -40.8 39.2 8.4 14.7 12 12 A A H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 5,-0.3 0.979 119.1 42.9 -60.4 -54.9 39.4 9.4 11.0 13 13 A A H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.881 115.4 47.7 -63.3 -41.5 42.3 11.7 11.7 14 14 A T H X S+ 0 0 77 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.896 111.5 51.7 -66.7 -38.6 44.2 9.3 14.0 15 15 A A H X S+ 0 0 30 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.863 113.2 41.3 -70.6 -40.4 43.7 6.4 11.7 16 16 A V H X S+ 0 0 1 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.826 114.3 53.8 -75.4 -33.4 45.1 8.1 8.5 17 17 A A H X S+ 0 0 7 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.923 111.3 45.6 -63.1 -42.8 47.9 9.7 10.5 18 18 A K H X S+ 0 0 28 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.919 111.9 49.9 -71.5 -43.0 48.9 6.3 11.9 19 19 A A H X S+ 0 0 26 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.773 112.7 49.9 -62.5 -27.3 48.8 4.6 8.5 20 20 A F H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 6,-0.5 0.906 109.6 49.0 -74.0 -46.4 50.9 7.5 7.2 21 21 A E H X S+ 0 0 75 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.849 114.4 47.3 -61.2 -34.9 53.5 7.2 10.0 22 22 A Q H < S+ 0 0 164 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.799 114.8 44.9 -79.2 -30.1 53.7 3.4 9.3 23 23 A E H < S+ 0 0 138 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.832 132.0 15.2 -81.2 -35.7 54.0 3.8 5.5 24 24 A T H < S- 0 0 40 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.2 0.565 90.8-122.4-117.4 -19.8 56.6 6.6 5.3 25 25 A G < + 0 0 66 -4,-1.5 2,-0.5 -5,-0.4 -4,-0.2 0.460 68.4 134.3 77.9 3.2 58.1 6.9 8.8 26 26 A I - 0 0 18 -6,-0.5 -1,-0.3 215,-0.1 2,-0.3 -0.763 53.3-131.9 -87.4 127.4 57.0 10.5 9.0 27 27 A K - 0 0 35 -2,-0.5 -25,-2.4 -3,-0.1 2,-0.5 -0.542 15.6-153.1 -82.5 137.9 55.4 11.5 12.3 28 28 A V E -a 2 0A 14 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.944 4.7-163.5-113.8 126.0 52.1 13.4 12.3 29 29 A T E -a 3 0A 85 -27,-2.7 -25,-2.9 -2,-0.5 2,-0.3 -0.958 14.1-147.0-104.3 122.0 51.1 15.7 15.2 30 30 A L E -a 4 0A 53 -2,-0.5 2,-0.4 -27,-0.2 -25,-0.2 -0.638 13.5-169.3 -85.0 138.9 47.4 16.6 15.3 31 31 A N E -a 5 0A 62 -27,-2.5 -25,-2.0 -2,-0.3 2,-0.1 -0.886 27.4-160.5-119.2 92.9 46.1 20.0 16.5 32 32 A S E +a 6 0A 70 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.375 27.8 121.6 -83.7 156.6 42.4 19.3 16.7 33 33 A G - 0 0 35 -27,-2.0 2,-0.3 -25,-0.2 -2,-0.0 -0.971 64.9 -54.2 174.9 178.8 39.5 21.8 16.8 34 34 A K >> - 0 0 174 -2,-0.3 4,-2.8 1,-0.1 3,-0.6 -0.670 51.2-124.3 -80.5 139.4 36.4 22.9 15.1 35 35 A S H 3> S+ 0 0 4 -28,-0.4 4,-2.6 -2,-0.3 5,-0.2 0.856 109.0 51.4 -55.4 -41.5 37.0 23.6 11.4 36 36 A E H 3> S+ 0 0 68 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.842 112.8 45.6 -66.3 -36.0 35.7 27.2 11.6 37 37 A Q H <> S+ 0 0 64 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.928 113.9 48.7 -70.4 -48.0 37.9 28.0 14.6 38 38 A L H X S+ 0 0 4 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.887 109.4 52.9 -58.2 -41.8 41.0 26.4 13.1 39 39 A A H X S+ 0 0 15 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.912 109.6 48.8 -60.5 -42.8 40.4 28.3 9.8 40 40 A G H X S+ 0 0 40 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.891 110.8 50.8 -63.1 -38.4 40.2 31.5 11.7 41 41 A Q H X S+ 0 0 67 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.897 107.9 52.3 -68.1 -39.2 43.4 30.6 13.5 42 42 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.874 110.3 48.4 -64.7 -37.3 45.2 29.8 10.2 43 43 A K H < S+ 0 0 49 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.896 113.6 46.7 -69.7 -39.1 44.2 33.3 8.9 44 44 A E H < S+ 0 0 173 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.899 113.6 47.7 -67.4 -43.2 45.4 35.1 12.0 45 45 A E H >< S+ 0 0 53 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.851 85.2 163.1 -68.4 -35.1 48.7 33.1 12.1 46 46 A G G >< - 0 0 17 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 -0.250 67.6 -0.5 54.3-128.0 49.3 33.8 8.4 47 47 A D G 3 S+ 0 0 150 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.441 134.7 56.3 -78.6 4.0 52.8 33.3 7.3 48 48 A K G < S+ 0 0 79 -3,-2.0 -1,-0.3 188,-0.0 -2,-0.2 0.192 74.6 129.9-115.8 13.9 53.9 32.3 10.8 49 49 A T < - 0 0 13 -3,-1.4 -7,-0.1 -7,-0.2 -8,-0.0 -0.400 54.9-144.5 -63.1 141.7 51.5 29.4 11.4 50 50 A P + 0 0 76 0, 0.0 -47,-0.3 0, 0.0 2,-0.2 0.484 66.6 114.5 -78.4 -5.2 53.0 26.1 12.6 51 51 A A + 0 0 0 1,-0.2 -47,-0.2 -49,-0.1 3,-0.1 -0.469 37.6 175.6 -74.3 134.7 50.4 24.2 10.5 52 52 A D S S+ 0 0 15 -49,-2.6 181,-2.0 1,-0.4 2,-0.3 0.756 73.0 17.0 -96.2 -43.9 51.6 22.1 7.5 53 53 A V E -bC 4 232A 0 -50,-1.7 -48,-2.3 179,-0.2 2,-0.5 -0.970 60.9-148.2-132.4 146.8 48.2 20.6 6.6 54 54 A F E -bC 5 231A 0 177,-2.9 177,-1.7 -2,-0.3 2,-0.5 -0.987 16.6-171.1-115.3 118.3 44.6 21.5 7.3 55 55 A Y E +bC 6 230A 6 -50,-2.8 -48,-3.2 -2,-0.5 -47,-0.7 -0.949 14.5 177.4-114.8 117.8 42.4 18.4 7.4 56 56 A T E - C 0 229A 0 173,-2.6 173,-2.6 -2,-0.5 3,-0.1 -0.917 41.3-142.7-132.6 148.9 38.7 19.2 7.6 57 57 A E S S+ 0 0 59 -2,-0.3 2,-0.4 171,-0.3 -1,-0.1 0.550 99.6 48.4 -78.2 -11.9 35.3 17.4 7.7 58 58 A Q > - 0 0 22 171,-0.1 3,-1.6 1,-0.1 170,-0.2 -0.927 65.1-161.5-139.1 106.3 33.9 20.2 5.6 59 59 A T G > S+ 0 0 10 168,-2.5 3,-1.9 -2,-0.4 4,-0.4 0.728 83.6 81.0 -61.2 -21.6 35.6 21.5 2.4 60 60 A A G > S+ 0 0 13 167,-0.3 3,-0.8 1,-0.3 4,-0.5 0.792 79.8 66.8 -54.9 -27.1 33.6 24.7 2.6 61 61 A T G <> S+ 0 0 24 -3,-1.6 4,-0.7 1,-0.2 -1,-0.3 0.767 92.1 64.3 -68.1 -22.1 36.0 26.1 5.2 62 62 A F H <> S+ 0 0 0 -3,-1.9 4,-2.7 -4,-0.2 5,-0.2 0.728 81.5 74.9 -68.9 -30.7 38.8 26.2 2.5 63 63 A A H <> S+ 0 0 36 -3,-0.8 4,-2.3 -4,-0.4 -1,-0.2 0.911 99.3 44.5 -57.3 -44.3 37.3 28.8 0.2 64 64 A D H > S+ 0 0 112 -4,-0.5 4,-1.8 -3,-0.3 -1,-0.2 0.884 113.1 50.7 -67.4 -40.0 38.1 31.7 2.5 65 65 A L H <>S+ 0 0 2 -4,-0.7 5,-2.3 2,-0.2 6,-0.4 0.904 112.9 47.1 -63.1 -42.1 41.6 30.4 3.1 66 66 A S H ><5S+ 0 0 7 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.887 111.2 50.2 -63.8 -42.9 42.2 30.0 -0.6 67 67 A E H 3<5S+ 0 0 155 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.787 107.8 55.0 -72.3 -25.3 40.8 33.5 -1.3 68 68 A A T 3<5S- 0 0 59 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.379 116.1-117.4 -84.6 0.6 43.1 34.9 1.4 69 69 A G T < 5S+ 0 0 37 -3,-1.4 -3,-0.2 -5,-0.1 -2,-0.1 0.761 78.8 123.0 75.4 28.3 46.1 33.3 -0.4 70 70 A L < + 0 0 31 -5,-2.3 164,-2.6 -6,-0.1 165,-0.5 0.391 49.1 83.1-106.0 -2.8 47.0 30.9 2.5 71 71 A L B -F 233 0B 6 -6,-0.4 162,-0.2 162,-0.3 24,-0.1 -0.858 67.9-136.9-109.6 139.1 46.8 27.6 0.6 72 72 A A - 0 0 2 160,-2.9 160,-0.4 -2,-0.4 162,-0.1 -0.609 32.2 -98.1 -83.8 152.4 49.5 25.9 -1.5 73 73 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 21,-0.3 -0.362 36.4-143.7 -63.0 148.8 48.8 24.2 -4.8 74 74 A I - 0 0 11 19,-2.5 21,-0.1 21,-0.1 169,-0.0 -0.828 33.4 -80.3-108.3 156.9 48.4 20.4 -4.7 75 75 A S > - 0 0 53 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.261 29.4-136.8 -53.9 137.3 49.5 18.0 -7.4 76 76 A E H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.883 107.7 55.1 -62.6 -40.1 47.2 17.7 -10.3 77 77 A Q H > S+ 0 0 59 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.837 108.0 49.3 -61.8 -35.8 47.7 14.0 -10.2 78 78 A T H >4 S+ 0 0 11 2,-0.2 3,-1.1 1,-0.2 4,-0.5 0.943 109.6 50.1 -68.2 -47.3 46.7 14.0 -6.6 79 79 A I H >< S+ 0 0 15 -4,-2.3 3,-1.4 1,-0.3 4,-0.5 0.911 105.4 58.4 -56.0 -44.4 43.5 16.0 -7.2 80 80 A Q H 3< S+ 0 0 59 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.709 89.7 73.6 -61.4 -23.1 42.6 13.6 -10.1 81 81 A Q T << S+ 0 0 78 -3,-1.1 188,-0.4 -4,-0.6 -1,-0.3 0.809 112.5 23.9 -62.7 -31.0 42.5 10.6 -7.7 82 82 A T S < S+ 0 0 3 -3,-1.4 2,-2.2 -4,-0.5 -1,-0.2 0.305 87.8 118.1-116.5 9.9 39.2 11.8 -6.1 83 83 A A + 0 0 46 -3,-0.5 2,-0.1 -4,-0.5 3,-0.1 -0.276 37.1 156.8 -82.1 57.3 37.8 13.9 -8.9 84 84 A Q > - 0 0 49 -2,-2.2 3,-2.2 183,-0.3 -2,-0.1 -0.418 58.8 -77.0 -73.1 155.6 34.7 11.8 -9.5 85 85 A K T 3 S+ 0 0 99 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.343 122.4 22.6 -51.6 127.5 31.7 13.5 -11.2 86 86 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.1 0.101 89.5 125.7 100.5 -19.9 30.0 15.7 -8.6 87 87 A V < - 0 0 11 -3,-2.2 -1,-0.3 1,-0.1 200,-0.0 -0.583 67.9-111.1 -74.5 125.9 33.0 16.1 -6.3 88 88 A P - 0 0 42 0, 0.0 9,-0.4 0, 0.0 2,-0.4 -0.272 32.1-154.1 -59.5 140.8 33.8 19.7 -5.6 89 89 A L - 0 0 108 7,-0.1 7,-0.1 -6,-0.1 3,-0.0 -0.953 18.8-118.3-121.0 134.6 37.1 21.0 -7.1 90 90 A A > - 0 0 10 5,-0.6 3,-1.6 -2,-0.4 5,-0.1 -0.565 18.4-145.6 -65.2 118.6 39.3 23.9 -5.9 91 91 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.886 103.1 41.7 -54.0 -36.5 39.3 26.5 -8.6 92 92 A K T 3 S- 0 0 116 -3,-0.0 -2,-0.1 -19,-0.0 -3,-0.0 0.244 111.5-120.6 -96.7 11.1 42.9 27.3 -7.7 93 93 A K S < S+ 0 0 93 -3,-1.6 -19,-2.5 -20,-0.1 -14,-0.1 0.870 76.7 126.0 55.4 41.7 43.9 23.6 -7.2 94 94 A D + 0 0 5 -21,-0.3 2,-0.3 1,-0.1 138,-0.1 0.071 64.4 29.2-125.6 22.6 44.8 24.4 -3.6 95 95 A W - 0 0 24 136,-0.1 -5,-0.6 -5,-0.1 2,-0.4 -0.939 67.0-140.8-166.6 163.8 42.7 21.9 -1.7 96 96 A I E -D 230 0A 3 134,-2.5 134,-2.1 -2,-0.3 2,-0.4 -0.995 10.9-134.7-135.4 137.3 41.3 18.4 -2.3 97 97 A A E +D 229 0A 2 -9,-0.4 132,-0.3 -2,-0.4 3,-0.1 -0.731 27.3 171.9 -85.8 138.3 38.1 16.6 -1.4 98 98 A L E - 0 0 6 130,-3.0 169,-1.4 1,-0.4 170,-0.3 0.650 53.6 -3.5-120.7 -29.7 38.7 13.2 0.0 99 99 A S E -DE 228 266A 1 129,-1.2 129,-2.6 167,-0.2 -1,-0.4 -0.981 58.0-137.9-164.5 165.9 35.5 11.7 1.3 100 100 A G E -DE 227 265A 0 165,-1.9 165,-2.9 -2,-0.3 2,-0.3 -0.938 5.9-152.2-139.6 159.9 31.8 12.3 1.9 101 101 A R E -D 226 0A 28 125,-2.1 125,-2.3 -2,-0.3 2,-0.4 -0.972 25.2-146.0-125.9 143.0 28.9 11.9 4.2 102 102 A S E -D 225 0A 1 -2,-0.3 92,-2.5 123,-0.2 123,-0.2 -0.876 13.2-125.3-117.3 140.2 25.3 11.7 3.0 103 103 A R E +G 193 0C 12 121,-2.6 2,-0.3 -2,-0.4 90,-0.2 -0.524 43.3 173.7 -61.6 146.3 21.8 12.7 4.1 104 104 A V E -G 192 0C 6 88,-2.5 88,-2.0 -2,-0.2 2,-0.5 -0.970 35.5-122.2-150.5 164.9 19.5 9.7 4.2 105 105 A V E -GH 191 214C 7 109,-2.1 109,-3.7 -2,-0.3 2,-0.4 -0.978 26.2-160.4-108.6 121.6 16.0 8.5 5.2 106 106 A V E -GH 190 213C 0 84,-2.4 84,-2.1 -2,-0.5 2,-0.3 -0.857 15.5-179.6 -98.0 140.5 16.1 5.6 7.6 107 107 A Y E -GH 189 212C 26 105,-2.7 105,-2.7 -2,-0.4 2,-0.9 -0.994 36.7-112.0-143.6 148.7 12.8 3.6 7.9 108 108 A D E >> - 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0 0 1 55,-0.3 3,-1.6 -2,-0.3 6,-0.2 -0.819 16.5-178.8-128.2 87.8 17.1 16.6 14.2 137 137 A S T 3 S+ 0 0 18 -2,-0.5 -1,-0.1 1,-0.3 36,-0.1 0.692 80.1 55.1 -65.3 -22.2 17.0 20.4 14.0 138 138 A T T 3 S+ 0 0 110 34,-0.4 -1,-0.3 35,-0.1 2,-0.2 0.454 83.4 110.6 -89.2 -2.6 20.2 21.0 16.0 139 139 A S S <> S- 0 0 17 -3,-1.6 4,-1.9 1,-0.1 3,-0.2 -0.502 70.4-133.2 -80.4 139.5 22.4 18.8 13.8 140 140 A G H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.867 108.6 51.1 -54.1 -40.8 25.1 20.4 11.6 141 141 A A H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.824 105.3 56.1 -70.2 -30.4 24.0 18.3 8.6 142 142 A F H > S+ 0 0 0 -6,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.917 107.0 50.2 -65.9 -39.9 20.4 19.4 9.1 143 143 A L H X S+ 0 0 26 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.932 109.1 51.3 -62.9 -41.9 21.7 23.0 8.9 144 144 A E H X S+ 0 0 21 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.905 106.4 55.0 -60.4 -39.2 23.5 22.0 5.7 145 145 A Q H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.881 108.1 48.2 -61.6 -40.0 20.2 20.6 4.4 146 146 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.929 110.1 52.2 -66.9 -43.2 18.4 23.9 5.0 147 147 A V H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.925 110.6 47.9 -57.5 -45.4 21.2 25.8 3.3 148 148 A A H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.874 110.8 50.5 -65.1 -39.5 21.0 23.5 0.2 149 149 A L H X>S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.7 0.915 111.2 49.5 -64.7 -42.9 17.2 23.9 0.0 150 150 A S H X5S+ 0 0 22 -4,-2.5 4,-1.6 3,-0.2 -2,-0.2 0.945 116.0 41.8 -59.9 -50.3 17.5 27.6 0.2 151 151 A K H <5S+ 0 0 68 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.882 124.1 36.8 -64.0 -39.6 20.1 27.7 -2.6 152 152 A M H <5S+ 0 0 67 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.813 136.2 14.8 -88.0 -34.2 18.4 25.2 -4.7 153 153 A K H <5S- 0 0 107 -4,-3.1 4,-0.4 -5,-0.2 -3,-0.2 0.452 106.4-111.6-123.6 -6.3 14.7 26.0 -4.2 154 154 A G X< - 0 0 31 -4,-1.6 4,-1.7 -5,-0.7 3,-0.2 -0.012 37.3 -70.7 89.5 166.2 14.7 29.4 -2.6 155 155 A D H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.754 123.7 58.8 -66.0 -34.6 13.8 30.7 0.9 156 156 A K H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 109.6 44.7 -65.5 -43.5 10.0 30.3 0.7 157 157 A V H > S+ 0 0 52 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.890 113.5 50.4 -64.7 -43.3 10.4 26.5 -0.0 158 158 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.936 113.1 45.7 -60.8 -47.5 13.1 26.1 2.7 159 159 A L H X S+ 0 0 21 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.912 111.3 52.3 -63.3 -42.8 10.9 27.9 5.3 160 160 A N H X S+ 0 0 118 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.857 109.0 51.1 -62.7 -35.5 7.8 25.9 4.2 161 161 A W H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.931 112.4 45.3 -65.4 -48.1 9.8 22.6 4.7 162 162 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.885 112.9 50.6 -65.3 -40.2 10.9 23.7 8.2 163 163 A K H X S+ 0 0 101 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.873 109.9 51.9 -64.1 -36.5 7.3 24.8 9.0 164 164 A G H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.844 108.5 49.3 -68.4 -35.8 6.1 21.4 7.8 165 165 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.902 109.2 53.6 -67.6 -42.2 8.6 19.5 10.0 166 166 A K H < S+ 0 0 112 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.946 117.1 37.9 -52.5 -48.5 7.4 21.7 12.9 167 167 A E H < S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.876 134.0 18.6 -73.1 -38.5 3.8 20.6 12.1 168 168 A N H < S+ 0 0 5 -4,-2.6 -37,-2.4 -38,-0.1 -35,-0.5 0.660 103.4 84.1-113.7 -24.5 4.3 17.0 11.2 169 169 A G E < -i 133 0C 18 -4,-2.4 2,-0.5 -5,-0.3 -35,-0.2 -0.394 66.7-125.6 -90.7 162.3 7.7 15.7 12.4 170 170 A K E -i 134 0C 74 -37,-2.9 -35,-2.2 -2,-0.1 2,-0.4 -0.931 30.1-135.2-102.8 123.8 9.0 14.3 15.7 171 171 A L E -i 135 0C 98 -2,-0.5 2,-0.3 -37,-0.2 -35,-0.2 -0.681 22.3-173.9 -84.9 128.5 12.0 16.2 17.0 172 172 A Y - 0 0 19 -37,-2.6 -34,-0.4 -2,-0.4 -35,-0.2 -0.907 28.1-132.6-120.9 151.8 15.0 14.3 18.3 173 173 A A S S+ 0 0 78 -2,-0.3 2,-0.3 1,-0.1 -35,-0.1 0.794 86.0 10.8 -73.7 -30.0 18.1 15.6 19.9 174 174 A K S > S- 0 0 35 1,-0.1 4,-2.2 -39,-0.1 5,-0.1 -0.967 71.3-113.5-146.7 157.8 20.6 13.6 17.9 175 175 A N H > S+ 0 0 24 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.892 117.5 53.6 -58.5 -44.1 20.8 11.4 14.8 176 176 A S H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 109.8 48.7 -58.5 -39.0 21.7 8.4 16.9 177 177 A V H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.879 109.4 51.5 -69.3 -38.8 18.6 9.0 19.0 178 178 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.912 110.1 50.7 -62.8 -41.0 16.4 9.4 15.9 179 179 A L H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.911 108.8 50.4 -61.7 -47.6 17.8 6.0 14.7 180 180 A Q H X S+ 0 0 104 -4,-2.2 4,-2.8 1,-0.2 6,-0.2 0.898 107.1 55.5 -54.5 -44.7 17.0 4.3 18.0 181 181 A A H <>S+ 0 0 2 -4,-2.2 5,-1.8 2,-0.2 6,-1.4 0.861 109.0 46.9 -61.7 -34.8 13.5 5.7 17.8 182 182 A V H ><5S+ 0 0 0 -4,-1.5 3,-1.1 4,-0.2 -1,-0.2 0.947 114.3 46.8 -70.3 -45.6 13.0 4.0 14.4 183 183 A E H 3<5S+ 0 0 35 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.868 112.4 51.8 -60.7 -35.9 14.5 0.7 15.7 184 184 A N T 3<5S- 0 0 123 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.460 114.8-112.3 -83.9 -6.3 12.3 0.9 18.8 185 185 A G T < 5S+ 0 0 36 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.563 85.0 117.8 85.4 8.6 9.0 1.4 16.9 186 186 A E S > -G 103 0C 7 -90,-0.2 4,-0.7 -2,-0.2 3,-0.5 -0.759 37.2-119.5 -95.0 155.8 23.1 10.9 8.2 194 194 A N H >> S+ 0 0 0 -92,-2.5 4,-2.0 -2,-0.3 3,-0.7 0.837 102.9 62.4 -59.0 -41.3 24.3 7.7 6.6 195 195 A Y H 3> S+ 0 0 47 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.845 93.4 61.9 -67.9 -32.7 27.1 6.8 9.0 196 196 A A H <> S+ 0 0 18 -3,-0.5 4,-1.6 1,-0.2 -1,-0.3 0.907 110.7 41.0 -55.5 -43.2 24.9 6.5 12.1 197 197 A W H < - 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