==== 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 3KN7 . 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) . 13358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 67.2 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 . 9 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 32.1 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 1 0 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 0 120 0, 0.0 2,-0.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 152.0 57.6 15.2 11.0 2 2 A I E -a 28 0A 2 25,-2.4 27,-2.2 239,-0.1 2,-0.4 -0.878 360.0-133.4-131.4 160.2 54.5 17.3 10.5 3 3 A T E -a 29 0A 38 47,-0.3 49,-2.6 -2,-0.3 50,-1.6 -0.958 20.0-163.9-112.2 127.8 51.7 18.9 12.5 4 4 A V E -ab 30 53A 1 25,-3.1 27,-2.3 -2,-0.4 2,-0.5 -0.966 13.9-145.8-117.6 118.3 48.1 18.5 11.4 5 5 A Y E -ab 31 54A 5 48,-2.6 50,-2.6 -2,-0.5 2,-0.6 -0.770 29.2-155.7 -76.3 123.7 45.3 20.8 12.7 6 6 A N E +ab 32 55A 2 25,-2.7 27,-2.0 -2,-0.5 50,-0.2 -0.912 38.4 159.8-121.2 109.4 42.4 18.3 12.8 7 7 A G + 0 0 12 48,-3.0 28,-0.4 -2,-0.6 49,-0.2 0.447 59.5 93.2 -94.6 -7.4 38.7 19.2 12.6 8 8 A Q S S- 0 0 20 47,-0.8 25,-0.1 1,-0.2 47,-0.1 -0.368 97.1 -70.3 -80.4 162.3 37.7 15.7 11.6 9 9 A H >> - 0 0 132 1,-0.1 4,-2.0 -2,-0.1 3,-0.9 -0.290 46.2-123.3 -51.3 136.0 36.6 12.9 14.0 10 10 A K H 3> S+ 0 0 53 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.829 109.2 59.6 -57.4 -35.7 39.7 11.8 16.0 11 11 A E H 3> S+ 0 0 45 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.868 108.2 45.7 -62.3 -35.8 39.3 8.1 14.8 12 12 A A H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.953 115.3 44.9 -70.2 -50.7 39.7 9.2 11.2 13 13 A A H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.912 113.7 50.9 -61.3 -43.7 42.7 11.5 11.8 14 14 A T H X S+ 0 0 79 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.903 110.4 49.5 -60.6 -42.0 44.3 8.9 14.0 15 15 A A H X S+ 0 0 27 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.922 113.4 43.3 -65.0 -48.0 43.9 6.1 11.4 16 16 A V H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.875 114.1 51.9 -67.7 -34.6 45.3 8.1 8.4 17 17 A A H X S+ 0 0 6 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.923 110.4 48.8 -65.8 -43.8 48.2 9.4 10.6 18 18 A K H X S+ 0 0 53 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.918 112.6 46.6 -63.5 -44.1 49.1 5.9 11.7 19 19 A A H X S+ 0 0 33 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.832 113.1 50.3 -68.0 -33.3 49.0 4.5 8.1 20 20 A F H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 6,-0.5 0.930 109.6 50.2 -67.3 -47.1 51.1 7.5 6.9 21 21 A E H X S+ 0 0 80 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.768 113.7 46.9 -61.2 -30.9 53.7 7.0 9.7 22 22 A Q H < S+ 0 0 87 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.831 115.2 44.1 -78.8 -37.6 53.9 3.3 8.8 23 23 A E H < S+ 0 0 139 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.850 134.0 14.6 -76.1 -37.1 54.2 3.8 5.0 24 24 A T H < S- 0 0 63 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.574 89.9-124.6-117.5 -21.6 56.7 6.7 5.2 25 25 A G < + 0 0 62 -4,-1.0 2,-0.5 -5,-0.5 -4,-0.2 0.474 66.0 134.8 78.2 5.3 58.2 6.8 8.7 26 26 A I - 0 0 26 -6,-0.5 -1,-0.3 215,-0.0 -2,-0.2 -0.770 52.7-132.2 -89.6 123.0 57.2 10.4 9.0 27 27 A K - 0 0 34 -2,-0.5 -25,-2.4 -3,-0.1 2,-0.4 -0.479 15.6-152.9 -77.9 142.5 55.5 11.2 12.4 28 28 A V E -a 2 0A 14 -27,-0.2 2,-0.5 -2,-0.2 -25,-0.2 -0.952 3.3-160.3-115.9 132.6 52.3 13.2 12.6 29 29 A T E -a 3 0A 86 -27,-2.2 -25,-3.1 -2,-0.4 2,-0.4 -0.975 13.8-147.4-110.1 127.9 51.2 15.3 15.5 30 30 A L E -a 4 0A 56 -2,-0.5 2,-0.5 -27,-0.2 -25,-0.2 -0.769 14.8-171.8 -96.3 133.4 47.4 16.1 15.7 31 31 A N E -a 5 0A 65 -27,-2.3 -25,-2.7 -2,-0.4 2,-0.3 -0.959 25.9-163.0-116.2 105.7 46.1 19.3 17.2 32 32 A S E +a 6 0A 66 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.2 -0.694 27.5 114.5-101.7 144.9 42.3 18.7 17.3 33 33 A G - 0 0 41 -27,-2.0 2,-0.3 -2,-0.3 -2,-0.0 -0.929 67.6 -43.7-172.6-168.2 39.4 21.0 17.7 34 34 A K >> - 0 0 149 -2,-0.3 4,-2.4 1,-0.1 3,-0.6 -0.638 51.0-127.7 -75.7 133.1 36.3 22.4 15.9 35 35 A S H 3> S+ 0 0 7 -28,-0.4 4,-2.6 -2,-0.3 5,-0.2 0.834 107.4 52.8 -49.0 -44.0 37.1 23.3 12.2 36 36 A E H 3> S+ 0 0 56 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.876 112.7 45.3 -63.2 -37.7 35.7 26.8 12.5 37 37 A Q H <> S+ 0 0 122 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.905 113.6 48.9 -71.7 -41.2 37.9 27.5 15.5 38 38 A L H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.879 109.6 51.8 -66.0 -39.8 41.0 26.0 13.9 39 39 A A H X S+ 0 0 10 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.923 109.8 50.6 -63.4 -40.5 40.4 28.0 10.7 40 40 A G H X S+ 0 0 38 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.889 110.0 49.8 -59.7 -42.5 40.2 31.1 12.8 41 41 A Q H X S+ 0 0 68 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.867 107.5 53.1 -67.4 -39.3 43.5 30.1 14.5 42 42 A L H X S+ 0 0 2 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.859 110.0 50.1 -62.6 -35.2 45.2 29.5 11.2 43 43 A K H < S+ 0 0 104 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.921 114.0 43.0 -69.1 -43.9 44.2 33.0 10.1 44 44 A E H < S+ 0 0 159 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.909 114.2 50.8 -70.9 -40.5 45.4 34.7 13.3 45 45 A E H >< S+ 0 0 41 -4,-2.7 3,-2.2 1,-0.2 -1,-0.2 0.830 82.2 158.0 -67.6 -34.4 48.7 32.7 13.4 46 46 A G G >< + 0 0 17 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 -0.165 69.1 3.8 53.3-128.4 49.4 33.6 9.7 47 47 A D G 3 S+ 0 0 149 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.657 134.5 55.7 -59.9 -20.9 53.1 33.3 8.8 48 48 A K G < S+ 0 0 191 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.330 74.0 127.1-101.6 5.5 53.9 31.9 12.2 49 49 A T < - 0 0 15 -3,-1.6 -7,-0.1 -7,-0.2 184,-0.0 -0.345 51.4-150.2 -63.5 140.2 51.5 29.0 12.4 50 50 A P + 0 0 74 0, 0.0 -47,-0.3 0, 0.0 2,-0.3 0.450 63.6 114.7 -82.6 -3.3 53.1 25.6 13.2 51 51 A A + 0 0 1 1,-0.2 -47,-0.2 -49,-0.1 3,-0.1 -0.520 37.9 176.7 -72.1 129.8 50.4 23.8 11.2 52 52 A D S S+ 0 0 18 -49,-2.6 181,-1.9 1,-0.3 2,-0.3 0.761 73.0 17.9 -91.0 -37.0 51.6 22.0 8.1 53 53 A V E -bC 4 232A 0 -50,-1.6 -48,-2.6 179,-0.2 2,-0.5 -0.975 61.1-148.9-138.6 144.0 48.2 20.6 7.1 54 54 A F E -bC 5 231A 0 177,-2.6 177,-2.0 -2,-0.3 2,-0.5 -0.991 16.4-170.7-113.0 122.7 44.5 21.4 7.9 55 55 A Y E +bC 6 230A 7 -50,-2.6 -48,-3.0 -2,-0.5 -47,-0.8 -0.986 14.9 177.1-120.8 114.7 42.3 18.2 7.8 56 56 A T E - C 0 229A 0 173,-2.1 173,-2.2 -2,-0.5 3,-0.1 -0.861 41.9-140.1-127.9 151.5 38.6 19.0 8.1 57 57 A E S S+ 0 0 62 -2,-0.3 2,-0.4 171,-0.2 -1,-0.1 0.510 100.0 49.0 -80.0 -8.8 35.2 17.3 8.0 58 58 A Q > - 0 0 30 171,-0.1 3,-1.8 1,-0.1 170,-0.2 -0.901 62.9-164.1-141.2 106.4 33.9 20.2 6.0 59 59 A T G > S+ 0 0 10 168,-2.4 3,-1.9 -2,-0.4 4,-0.5 0.676 84.8 80.4 -62.2 -18.0 35.7 21.6 2.9 60 60 A A G > S+ 0 0 12 167,-0.3 3,-1.0 1,-0.3 4,-0.5 0.826 81.6 65.4 -57.6 -30.2 33.5 24.7 3.2 61 61 A T G <> S+ 0 0 24 -3,-1.8 4,-0.7 1,-0.2 -1,-0.3 0.696 89.9 66.9 -66.8 -19.4 35.9 25.8 5.9 62 62 A F H <> S+ 0 0 0 -3,-1.9 4,-2.7 -4,-0.2 -1,-0.2 0.758 82.1 75.2 -71.8 -27.9 38.7 26.1 3.2 63 63 A A H <> S+ 0 0 37 -3,-1.0 4,-2.7 -4,-0.5 5,-0.2 0.924 96.3 45.8 -53.9 -51.7 37.1 29.0 1.3 64 64 A D H > S+ 0 0 82 -4,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.873 114.1 49.3 -61.0 -39.7 38.0 31.7 3.8 65 65 A L H <>S+ 0 0 0 -4,-0.7 5,-2.5 2,-0.2 6,-0.3 0.899 111.6 48.1 -68.2 -41.8 41.5 30.4 4.2 66 66 A S H ><5S+ 0 0 9 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.912 110.6 51.9 -62.7 -43.8 42.1 30.3 0.4 67 67 A E H 3<5S+ 0 0 143 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.784 106.6 54.4 -60.6 -32.9 40.6 33.8 0.1 68 68 A A T 3<5S- 0 0 48 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.404 116.4-115.7 -84.0 -0.8 43.1 35.0 2.8 69 69 A G T < 5S+ 0 0 27 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.751 79.1 125.4 75.9 27.8 46.0 33.6 0.8 70 70 A L < + 0 0 31 -5,-2.5 164,-2.5 -6,-0.1 165,-0.5 0.427 46.6 82.7-100.7 -2.1 46.9 31.0 3.4 71 71 A L B -F 233 0B 5 -6,-0.3 162,-0.2 162,-0.3 24,-0.1 -0.837 66.2-135.9-113.6 142.7 46.8 27.8 1.4 72 72 A A - 0 0 3 160,-2.7 160,-0.5 -2,-0.4 162,-0.1 -0.665 30.7-101.5 -87.8 147.5 49.5 26.2 -0.8 73 73 A P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 21,-0.3 -0.373 34.2-147.5 -63.0 149.0 48.8 24.7 -4.2 74 74 A I - 0 0 10 19,-2.7 21,-0.1 21,-0.1 169,-0.0 -0.808 33.1 -81.7-114.2 155.9 48.6 20.9 -4.4 75 75 A S > - 0 0 56 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.318 28.9-137.4 -59.3 135.8 49.7 18.8 -7.4 76 76 A E H > S+ 0 0 99 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.830 106.4 58.9 -63.4 -32.5 47.1 18.6 -10.1 77 77 A Q H 4 S+ 0 0 66 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.832 107.0 48.1 -64.2 -32.3 47.8 14.8 -10.4 78 78 A T H >4 S+ 0 0 11 -3,-0.4 3,-1.4 2,-0.2 4,-0.5 0.928 108.5 52.5 -72.2 -47.2 46.8 14.5 -6.7 79 79 A I H >< S+ 0 0 15 -4,-2.1 3,-1.1 1,-0.3 4,-0.3 0.873 103.8 59.0 -53.6 -39.6 43.6 16.5 -7.2 80 80 A Q G >< S+ 0 0 102 -4,-1.9 3,-0.5 1,-0.2 -1,-0.3 0.679 87.6 76.2 -68.7 -17.5 42.6 14.2 -10.1 81 81 A Q G < S+ 0 0 80 -3,-1.4 188,-0.3 -4,-0.4 -1,-0.2 0.827 111.1 23.6 -61.8 -34.4 42.7 11.1 -7.8 82 82 A T G < S+ 0 0 2 -3,-1.1 2,-1.9 -4,-0.5 -1,-0.2 0.231 87.5 119.7-115.4 12.8 39.4 12.1 -6.2 83 83 A A < + 0 0 32 -3,-0.5 3,-0.1 -4,-0.3 -1,-0.1 -0.265 35.4 156.8 -84.8 54.0 37.9 14.2 -9.0 84 84 A Q > - 0 0 45 -2,-1.9 3,-2.2 183,-0.3 2,-0.1 -0.341 59.2 -77.1 -64.3 156.7 34.8 12.1 -9.6 85 85 A K T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 -0.400 123.1 23.8 -59.3 125.2 31.8 13.9 -11.2 86 86 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 -2,-0.1 -3,-0.1 0.152 89.0 126.0 103.2 -18.6 30.1 15.9 -8.5 87 87 A V < - 0 0 11 -3,-2.2 -1,-0.3 1,-0.1 2,-0.1 -0.593 65.8-114.3 -78.2 129.1 33.1 16.3 -6.2 88 88 A P - 0 0 46 0, 0.0 9,-0.5 0, 0.0 2,-0.4 -0.386 31.1-156.2 -63.5 139.5 33.9 19.9 -5.4 89 89 A L - 0 0 96 7,-0.1 7,-0.1 -2,-0.1 3,-0.0 -0.933 20.1-115.4-119.3 144.3 37.2 21.3 -6.7 90 90 A A > - 0 0 9 5,-0.5 3,-1.8 -2,-0.4 5,-0.1 -0.647 18.3-145.6 -75.4 121.3 39.3 24.1 -5.4 91 91 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.858 103.1 42.3 -55.7 -34.1 39.3 26.9 -8.1 92 92 A K T 3 S- 0 0 114 -3,-0.0 -2,-0.1 -19,-0.0 0, 0.0 0.217 111.5-120.4 -98.2 14.1 42.9 27.7 -7.0 93 93 A K S < S+ 0 0 100 -3,-1.8 -19,-2.7 -20,-0.1 -14,-0.1 0.831 77.2 125.1 54.9 37.5 44.0 24.1 -6.7 94 94 A D + 0 0 5 -21,-0.3 2,-0.3 137,-0.1 138,-0.2 0.073 65.0 26.3-123.8 23.4 44.8 24.7 -3.0 95 95 A W - 0 0 26 136,-0.1 -5,-0.5 -5,-0.1 2,-0.4 -0.942 67.0-140.6-166.4 170.0 42.7 22.1 -1.2 96 96 A I E -D 230 0A 4 134,-2.2 134,-2.1 -2,-0.3 2,-0.4 -0.998 12.3-130.7-143.5 136.4 41.3 18.6 -2.0 97 97 A A E +D 229 0A 2 -9,-0.5 132,-0.3 -2,-0.4 3,-0.1 -0.692 29.2 169.8 -81.5 135.7 38.1 16.8 -1.3 98 98 A L E + 0 0 5 130,-3.0 169,-1.2 -2,-0.4 2,-0.3 0.690 53.6 3.0-119.5 -35.2 38.7 13.3 0.1 99 99 A S E -DE 228 266A 1 129,-1.3 129,-2.7 167,-0.2 -1,-0.4 -0.965 58.1-136.1-154.5 168.4 35.5 11.7 1.5 100 100 A G E -DE 227 265A 0 165,-1.6 165,-2.6 -2,-0.3 2,-0.4 -0.932 4.2-157.0-135.6 151.8 31.8 12.2 1.8 101 101 A R E -D 226 0A 58 125,-2.0 125,-2.6 -2,-0.3 2,-0.4 -0.987 23.6-149.0-123.1 140.0 28.9 11.8 4.3 102 102 A S E -D 225 0A 1 -2,-0.4 92,-2.2 123,-0.2 123,-0.2 -0.872 13.7-125.4-115.5 140.1 25.3 11.5 3.0 103 103 A R E +G 193 0C 12 121,-2.3 2,-0.3 -2,-0.4 90,-0.3 -0.472 42.3 171.2 -63.7 150.1 21.8 12.5 4.2 104 104 A V E -G 192 0C 7 88,-2.5 88,-2.5 -2,-0.1 2,-0.5 -0.939 36.5-117.8-151.7 167.9 19.5 9.5 4.3 105 105 A V E -GH 191 214C 9 109,-1.9 109,-2.6 -2,-0.3 2,-0.4 -0.992 25.5-156.0-112.1 120.4 16.1 8.3 5.5 106 106 A V E +GH 190 213C 0 84,-2.5 84,-2.4 -2,-0.5 2,-0.3 -0.807 20.5 179.2 -90.1 135.4 16.3 5.5 8.1 107 107 A Y E -GH 189 212C 16 105,-2.6 105,-2.4 -2,-0.4 2,-0.9 -0.980 36.8-112.8-141.0 150.1 13.0 3.4 8.1 108 108 A D E >> - 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0 0 30 -4,-1.5 4,-2.2 -5,-0.7 3,-0.3 0.002 37.0 -76.2 89.8 160.1 14.4 29.2 -2.2 155 155 A D H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.722 124.4 59.2 -64.1 -30.1 13.6 30.4 1.3 156 156 A K H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 110.0 43.4 -66.6 -42.8 9.9 30.0 1.0 157 157 A V H > S+ 0 0 51 -4,-0.3 4,-2.0 -3,-0.3 -2,-0.2 0.928 115.8 48.2 -67.8 -46.3 10.3 26.3 0.2 158 158 A A H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.922 113.1 47.2 -59.0 -46.8 12.8 25.8 2.9 159 159 A L H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.913 110.3 52.9 -62.8 -42.1 10.7 27.7 5.5 160 160 A N H X S+ 0 0 123 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.849 108.0 52.0 -59.7 -39.4 7.6 25.6 4.5 161 161 A W H X S+ 0 0 3 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.917 110.0 47.8 -63.2 -46.3 9.6 22.4 5.0 162 162 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.923 112.0 48.9 -63.0 -45.1 10.6 23.4 8.5 163 163 A K H X S+ 0 0 102 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.873 110.2 53.6 -59.1 -38.1 7.0 24.4 9.4 164 164 A G H X S+ 0 0 9 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.837 108.5 48.3 -65.3 -34.4 5.9 21.1 8.0 165 165 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.880 109.0 53.6 -72.5 -40.9 8.4 19.3 10.3 166 166 A K H < S+ 0 0 118 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.930 118.0 37.2 -54.1 -46.8 7.2 21.3 13.3 167 167 A E H < S+ 0 0 135 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.914 132.7 22.3 -74.3 -44.0 3.6 20.2 12.5 168 168 A N H < S+ 0 0 4 -4,-2.6 -37,-2.6 -5,-0.2 -36,-0.6 0.678 104.7 80.6-105.6 -22.4 4.2 16.6 11.4 169 169 A G E < -i 133 0C 17 -4,-2.2 2,-0.5 -5,-0.3 -35,-0.2 -0.346 66.4-126.6 -90.0 166.5 7.6 15.4 12.8 170 170 A K E -i 134 0C 80 -37,-2.3 -35,-2.0 -2,-0.1 2,-0.4 -0.966 29.0-133.7-109.0 124.1 8.9 14.0 16.1 171 171 A L E -i 135 0C 100 -2,-0.5 2,-0.3 -37,-0.2 -35,-0.2 -0.640 21.0-170.3 -82.2 130.9 11.9 15.9 17.4 172 172 A Y - 0 0 24 -37,-2.4 -34,-0.4 -2,-0.4 -35,-0.2 -0.912 25.1-135.0-120.1 147.6 14.9 13.9 18.7 173 173 A A S S+ 0 0 81 -2,-0.3 2,-0.3 1,-0.1 -35,-0.1 0.808 84.9 8.5 -71.3 -32.7 17.9 15.3 20.6 174 174 A K S > S- 0 0 38 1,-0.1 4,-1.9 -39,-0.1 5,-0.2 -0.959 73.0-110.4-146.3 160.9 20.5 13.4 18.6 175 175 A N H > S+ 0 0 11 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.902 117.6 53.6 -61.5 -41.0 20.9 11.2 15.5 176 176 A S H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 108.5 50.1 -60.6 -41.5 21.7 8.1 17.6 177 177 A V H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 110.3 49.6 -64.5 -40.5 18.5 8.7 19.6 178 178 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.905 110.3 51.1 -64.7 -41.5 16.4 9.0 16.4 179 179 A L H X S+ 0 0 11 -4,-2.5 4,-2.2 1,-0.2 3,-0.3 0.926 110.7 48.2 -61.9 -44.6 17.9 5.8 15.0 180 180 A Q H X S+ 0 0 43 -4,-2.4 4,-2.5 1,-0.2 6,-0.2 0.858 106.1 58.2 -64.5 -34.1 17.1 4.0 18.2 181 181 A A H <>S+ 0 0 3 -4,-1.9 5,-1.7 2,-0.2 6,-1.3 0.856 107.9 46.3 -66.2 -33.2 13.5 5.3 18.1 182 182 A V H ><5S+ 0 0 0 -4,-1.5 3,-1.4 -3,-0.3 -2,-0.2 0.945 112.7 49.6 -71.1 -48.2 13.0 3.8 14.7 183 183 A E H 3<5S+ 0 0 42 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.860 112.5 48.2 -55.8 -38.7 14.6 0.4 15.8 184 184 A N T 3<5S- 0 0 118 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.334 116.7-109.5 -91.0 5.6 12.3 0.4 18.9 185 185 A G T < 5S+ 0 0 37 -3,-1.4 -3,-0.2 2,-0.3 -4,-0.1 0.508 83.6 121.2 84.1 6.7 9.1 1.2 17.1 186 186 A E S -G 103 0C 21 -90,-0.3 4,-0.6 -2,-0.2 3,-0.4 -0.829 35.7-118.0-111.0 159.7 23.1 10.7 8.1 194 194 A N H > S+ 0 0 0 -92,-2.2 4,-1.9 -2,-0.3 5,-0.2 0.810 98.5 69.6 -69.5 -29.2 24.5 7.5 6.8 195 195 A A H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.857 91.9 56.0 -67.0 -38.9 27.3 6.8 9.3 196 196 A Y H > S+ 0 0 83 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.930 112.4 41.7 -56.8 -49.6 25.2 6.0 12.4 197 197 A W H X S+ 0 0 20 -4,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.924 114.2 50.4 -68.6 -43.9 23.3 3.2 10.7 198 198 A Y H X S+ 0 0 19 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.852 111.7 49.4 -67.1 -33.3 26.3 1.7 8.9 199 199 A N H X S+ 0 0 70 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.915 113.1 46.0 -66.4 -45.6 28.3 1.7 12.1 200 200 A L H X S+ 0 0 44 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.885 112.9 51.3 -66.0 -39.2 25.5 -0.1 14.0 201 201 A A H X S+ 0 0 12 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.891 110.5 47.2 -65.6 -40.9 25.0 -2.5 11.1 202 202 A K H < S+ 0 0 132 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.914 118.2 41.8 -67.9 -40.8 28.7 -3.5 11.0 203 203 A E H < S+ 0 0 126 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.873 129.8 24.8 -74.8 -37.2 28.9 -3.9 14.8 204 204 A K H < S- 0 0 116 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.634 110.9-105.9-103.2 -22.3 25.6 -5.8 15.3 205 205 A G >< - 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