==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 07-MAY-09 2WHY . COMPND 2 MOLECULE: IRON-UPTAKE SYSTEM-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.PEUCKERT,M.MIETHKE,A.G.ALBRECHT,L.-O.ESSEN,M.A.MARAHIEL . 289 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 6.9 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 . 4 1.4 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 . 24 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 4 0 1 3 0 0 1 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 19 A K 0 0 166 0, 0.0 2,-0.3 0, 0.0 13,-0.3 0.000 360.0 360.0 360.0 160.4 8.1 -2.7 -40.2 2 20 A K E -A 13 0A 39 11,-2.9 11,-2.3 9,-0.1 2,-0.4 -0.931 360.0-108.3-126.7 144.0 11.0 -3.6 -38.0 3 21 A K E -A 12 0A 86 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.580 35.1-172.1 -74.0 119.9 12.4 -6.9 -36.7 4 22 A I E -A 11 0A 7 7,-3.0 7,-2.9 -2,-0.4 2,-0.4 -0.970 10.5-149.7-115.2 125.0 11.7 -7.3 -33.0 5 23 A E E +A 10 0A 134 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.820 21.2 169.0 -97.0 135.1 13.3 -10.2 -31.1 6 24 A Y E > -A 9 0A 8 3,-3.1 3,-0.8 -2,-0.4 -2,-0.0 -0.867 67.2 -25.2-149.5 111.0 11.4 -11.7 -28.2 7 25 A L T 3 S- 0 0 55 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.957 125.4 -45.9 49.8 64.9 12.3 -15.0 -26.4 8 26 A D T 3 S+ 0 0 157 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.655 121.4 104.2 50.5 23.6 14.0 -16.6 -29.5 9 27 A K E < -A 6 0A 31 -3,-0.8 -3,-3.1 2,-0.0 2,-0.4 -0.957 60.2-144.4-124.8 149.0 11.1 -15.5 -31.8 10 28 A T E -A 5 0A 98 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.952 14.5-174.6-116.0 133.0 11.2 -12.7 -34.3 11 29 A Y E -A 4 0A 48 -7,-2.9 -7,-3.0 -2,-0.4 2,-0.6 -0.993 20.4-139.4-126.0 133.5 8.2 -10.4 -35.1 12 30 A E E +A 3 0A 55 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.832 38.0 161.9 -88.0 119.0 8.0 -7.7 -37.8 13 31 A V E -A 2 0A 1 -11,-2.3 -11,-2.9 -2,-0.6 2,-0.6 -0.993 47.1-108.8-140.3 143.9 6.1 -4.7 -36.3 14 32 A T - 0 0 67 -2,-0.3 66,-0.1 -13,-0.3 -2,-0.0 -0.666 56.6-131.3 -70.2 115.0 5.7 -1.0 -37.2 15 33 A V S S+ 0 0 45 -2,-0.6 2,-0.1 1,-0.1 108,-0.1 -0.984 74.5 29.0-138.1 143.4 7.7 0.7 -34.4 16 34 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 107,-0.3 0.544 86.8 158.0 -75.4 151.4 7.5 2.9 -32.5 17 35 A T - 0 0 16 105,-2.6 -2,-0.0 -2,-0.1 3,-0.0 -0.965 44.9-166.0-137.5 155.7 3.7 2.5 -32.2 18 36 A D S S+ 0 0 85 -2,-0.3 2,-2.5 19,-0.1 22,-0.8 0.383 71.8 100.3-107.5 -8.7 0.9 3.3 -29.8 19 37 A K + 0 0 77 20,-0.1 61,-1.8 21,-0.1 62,-1.6 -0.410 53.5 143.7 -77.6 67.4 -1.5 1.0 -31.8 20 38 A I E -b 81 0B 0 -2,-2.5 21,-2.3 59,-0.2 20,-0.9 -0.938 35.6-163.3-114.1 125.1 -1.1 -1.7 -29.2 21 39 A A E -bc 82 41B 0 60,-2.2 62,-2.9 -2,-0.5 2,-0.5 -0.951 8.4-159.5-108.3 122.0 -3.9 -4.0 -28.2 22 40 A I E +b 83 0B 0 19,-2.4 2,-0.4 -2,-0.5 41,-0.3 -0.898 17.7 165.7-104.1 124.1 -3.3 -6.0 -25.0 23 41 A T - 0 0 0 60,-2.5 2,-1.9 -2,-0.5 43,-0.1 -0.996 67.9 -8.0-136.0 140.1 -5.4 -9.1 -24.3 24 42 A G S S+ 0 0 4 42,-0.5 2,-1.6 -2,-0.4 3,-0.2 -0.020 103.7 102.8 67.9 -38.5 -4.7 -11.8 -21.7 25 43 A S > + 0 0 0 -2,-1.9 4,-1.1 58,-0.6 3,-0.5 -0.557 32.8 163.8 -82.4 84.3 -1.3 -10.2 -20.8 26 44 A V H > S+ 0 0 0 -2,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.839 77.4 68.9 -62.3 -28.9 -2.0 -8.4 -17.5 27 45 A E H > S+ 0 0 5 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.925 97.2 49.0 -51.1 -47.5 1.8 -8.5 -17.4 28 46 A S H > S+ 0 0 2 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.798 106.4 56.2 -69.4 -28.3 1.9 -6.1 -20.3 29 47 A M H X S+ 0 0 0 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.908 108.7 47.9 -63.5 -43.4 -0.6 -3.8 -18.6 30 48 A E H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.885 113.0 47.6 -67.2 -35.0 1.8 -3.6 -15.6 31 49 A D H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.917 110.4 53.0 -69.6 -43.0 4.7 -2.9 -17.9 32 50 A A H X>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 4,-1.3 0.891 104.5 57.0 -55.5 -41.8 2.6 -0.2 -19.7 33 51 A K H <5S+ 0 0 50 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.947 112.8 37.9 -60.0 -49.4 1.9 1.4 -16.3 34 52 A L H <5S+ 0 0 52 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.835 120.2 46.5 -71.3 -33.7 5.6 1.9 -15.4 35 53 A L H <5S- 0 0 0 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.563 108.0-125.5 -81.4 -8.0 6.6 2.8 -19.0 36 54 A D T <5 + 0 0 70 -4,-1.3 2,-0.5 -3,-0.4 -3,-0.2 0.930 51.2 161.7 56.7 49.1 3.7 5.2 -19.4 37 55 A V < - 0 0 8 -5,-2.1 -1,-0.2 -8,-0.1 -2,-0.1 -0.891 29.1-155.7 -97.4 126.7 2.4 3.4 -22.5 38 56 A H - 0 0 42 -2,-0.5 -18,-0.2 19,-0.1 19,-0.1 -0.830 19.0-152.3-104.7 92.1 -1.2 4.2 -23.3 39 57 A P - 0 0 0 0, 0.0 20,-0.2 0, 0.0 -20,-0.1 -0.225 20.1-132.7 -71.4 155.9 -2.4 1.3 -25.4 40 58 A Q S S+ 0 0 42 -20,-0.9 21,-2.4 -22,-0.8 2,-0.4 0.862 97.9 28.6 -65.0 -41.0 -5.2 1.4 -28.0 41 59 A G E S+cd 21 61B 0 -21,-2.3 -19,-2.4 19,-0.2 2,-0.3 -0.990 73.6 175.2-126.8 134.8 -6.7 -1.7 -26.4 42 60 A A E - d 0 62B 0 19,-2.0 21,-2.7 -2,-0.4 22,-0.6 -0.925 34.8 -93.0-136.8 161.9 -6.5 -2.9 -22.8 43 61 A I E - d 0 64B 0 -2,-0.3 2,-0.3 19,-0.2 22,-0.2 -0.524 34.1-145.1 -74.7 133.8 -7.9 -5.6 -20.6 44 62 A S E - d 0 65B 8 20,-2.6 22,-0.6 -2,-0.3 2,-0.5 -0.689 1.4-150.2 -94.9 151.6 -11.1 -5.0 -18.6 45 63 A F B > S-G 48 0C 15 3,-3.2 3,-1.3 -2,-0.3 20,-0.1 -0.964 83.8 -20.9-124.6 108.7 -11.6 -6.4 -15.2 46 64 A S T 3 S- 0 0 73 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.893 129.5 -52.4 49.9 44.7 -15.3 -7.0 -14.5 47 65 A G T 3 S+ 0 0 62 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.486 123.7 82.7 78.0 4.7 -16.1 -4.5 -17.3 48 66 A K B < S-G 45 0C 134 -3,-1.3 -3,-3.2 -5,-0.0 -1,-0.2 -0.880 78.1-113.3-133.6 166.9 -13.9 -1.7 -15.9 49 67 A F - 0 0 28 -2,-0.3 -5,-0.1 -5,-0.2 5,-0.1 -0.909 44.0-118.2 -96.0 117.7 -10.3 -0.5 -15.8 50 68 A P >> - 0 0 16 0, 0.0 3,-2.3 0, 0.0 4,-0.7 -0.226 23.2-111.0 -53.3 147.1 -9.0 -0.7 -12.2 51 69 A D G >4 S+ 0 0 129 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.840 116.5 63.3 -45.8 -41.1 -8.0 2.6 -10.6 52 70 A M G 34 S+ 0 0 33 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.705 109.9 37.8 -64.4 -18.9 -4.4 1.5 -10.7 53 71 A F G X> S+ 0 0 1 -3,-2.3 3,-2.1 1,-0.1 4,-1.2 0.415 84.1 101.7-106.0 -3.4 -4.4 1.4 -14.5 54 72 A K T << S+ 0 0 98 -3,-1.1 4,-0.3 -4,-0.7 -2,-0.1 0.755 74.6 63.4 -59.6 -24.7 -6.6 4.5 -15.2 55 73 A D T 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.700 114.2 31.9 -70.4 -22.2 -3.5 6.6 -16.0 56 74 A I T <4 S+ 0 0 0 -3,-2.1 3,-0.3 1,-0.1 -2,-0.2 0.468 111.9 61.2-112.5 -3.8 -2.7 4.4 -19.0 57 75 A T S >< S+ 0 0 10 -4,-1.2 3,-1.2 1,-0.2 -2,-0.1 0.299 71.4 102.9-100.5 8.6 -6.2 3.3 -20.1 58 76 A D T 3 S+ 0 0 104 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.797 92.1 33.0 -61.3 -30.7 -7.3 6.9 -20.8 59 77 A K T 3 S+ 0 0 159 -3,-0.3 -1,-0.3 -20,-0.2 2,-0.2 0.307 105.0 105.3-102.5 4.5 -6.9 6.3 -24.6 60 78 A A < - 0 0 18 -3,-1.2 -19,-0.2 -19,-0.1 -20,-0.2 -0.598 53.4-154.1 -99.6 148.8 -7.9 2.6 -24.6 61 79 A E E -d 41 0B 98 -21,-2.4 -19,-2.0 -2,-0.2 2,-0.2 -0.879 42.5 -98.2-101.8 147.9 -11.0 0.6 -25.6 62 80 A P E -d 42 0B 63 0, 0.0 -19,-0.2 0, 0.0 3,-0.1 -0.458 22.2-161.2 -67.2 134.2 -11.4 -2.8 -23.8 63 81 A T E - 0 0 0 -21,-2.7 7,-3.7 1,-0.4 2,-0.2 0.577 59.8 -91.2 -81.6 -12.5 -10.2 -5.8 -25.6 64 82 A G E -dE 43 69B 13 -22,-0.6 -20,-2.6 5,-0.2 -1,-0.4 -0.724 64.3 -35.5 128.1 179.7 -12.4 -7.9 -23.3 65 83 A E E > S-dE 44 68B 73 3,-0.6 3,-1.1 -2,-0.2 -41,-0.2 -0.301 75.8 -92.2 -65.5 162.7 -11.9 -9.6 -20.0 66 84 A K T 3 S+ 0 0 34 -22,-0.6 -42,-0.5 1,-0.3 -1,-0.1 0.868 124.1 28.1 -46.7 -50.8 -8.5 -11.1 -19.4 67 85 A M T 3 S+ 0 0 108 1,-0.2 -1,-0.3 -44,-0.1 -44,-0.0 0.470 115.2 65.4 -90.7 -7.8 -9.3 -14.6 -20.8 68 86 A E E < -E 65 0B 60 -3,-1.1 -3,-0.6 2,-0.0 -1,-0.2 -0.605 68.3-168.2-125.1 68.8 -12.1 -13.6 -23.2 69 87 A P E -E 64 0B 22 0, 0.0 2,-1.2 0, 0.0 -5,-0.2 -0.319 21.7-134.2 -60.1 135.1 -10.7 -11.5 -26.0 70 88 A N > - 0 0 84 -7,-3.7 4,-2.5 1,-0.2 3,-0.4 -0.783 22.3-172.1 -88.2 93.5 -13.4 -9.8 -28.1 71 89 A I H > S+ 0 0 42 -2,-1.2 4,-2.5 1,-0.3 -1,-0.2 0.839 81.9 55.8 -60.5 -34.4 -11.9 -10.6 -31.5 72 90 A E H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.883 109.7 45.9 -64.4 -40.9 -14.5 -8.4 -33.3 73 91 A K H > S+ 0 0 14 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.919 112.0 50.6 -66.5 -44.7 -13.4 -5.4 -31.2 74 92 A I H X S+ 0 0 0 -4,-2.5 4,-1.0 -11,-0.2 -2,-0.2 0.877 110.7 49.9 -63.3 -38.5 -9.7 -6.2 -31.7 75 93 A L H >< S+ 0 0 91 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.926 105.2 57.7 -60.1 -48.4 -10.4 -6.3 -35.5 76 94 A E H 3< S+ 0 0 157 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.834 106.7 50.3 -46.8 -39.4 -12.2 -3.0 -35.2 77 95 A M H 3< S- 0 0 9 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.758 87.4-154.7 -74.7 -29.8 -8.9 -1.5 -33.8 78 96 A K << - 0 0 56 -4,-1.0 -3,-0.1 -3,-0.8 22,-0.1 0.960 23.6-160.8 46.4 62.9 -6.6 -2.8 -36.5 79 97 A P - 0 0 12 0, 0.0 22,-0.3 0, 0.0 -59,-0.2 -0.338 27.2-134.2 -73.3 153.6 -3.6 -2.7 -34.1 80 98 A D S S+ 0 0 45 -61,-1.8 2,-0.3 1,-0.3 21,-0.3 0.792 94.4 7.8 -70.2 -30.7 0.0 -2.7 -35.3 81 99 A V E -b 20 0B 0 -62,-1.6 -60,-2.2 19,-0.1 2,-0.5 -0.989 64.6-148.0-153.1 142.1 0.7 -5.4 -32.6 82 100 A I E -bf 21 102B 0 19,-3.3 21,-2.9 -2,-0.3 2,-1.0 -0.963 12.5-150.1-111.9 123.8 -1.4 -7.5 -30.2 83 101 A L E +bf 22 103B 1 -62,-2.9 -60,-2.5 -2,-0.5 -58,-0.6 -0.851 30.1 169.8 -95.0 102.3 0.2 -8.4 -26.9 84 102 A A E - f 0 104B 0 19,-2.1 21,-2.2 -2,-1.0 2,-0.4 -0.107 28.7-104.7 -96.1-165.4 -1.3 -11.7 -26.0 85 103 A S E > - f 0 105B 2 19,-0.3 3,-1.2 -2,-0.1 21,-0.2 -0.968 7.6-135.1-129.3 147.0 -0.4 -14.2 -23.3 86 104 A T T 3 S+ 0 0 57 19,-1.9 20,-0.1 -2,-0.4 -1,-0.1 0.573 102.9 71.7 -68.4 -9.2 1.4 -17.5 -23.2 87 105 A K T 3 S+ 0 0 28 18,-0.3 199,-0.6 2,-0.1 -1,-0.2 0.540 75.8 100.7 -87.9 -8.8 -1.5 -18.7 -20.9 88 106 A F S < S- 0 0 13 -3,-1.2 2,-0.1 197,-0.1 -21,-0.0 -0.467 87.1 -98.9 -69.8 146.4 -4.1 -18.8 -23.7 89 107 A P > - 0 0 41 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.414 36.9-116.9 -53.5 142.1 -5.1 -22.0 -25.3 90 108 A E H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.876 115.4 54.7 -56.2 -41.2 -3.2 -22.3 -28.6 91 109 A K H > S+ 0 0 183 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 107.0 51.5 -61.2 -37.6 -6.4 -22.3 -30.6 92 110 A T H > S+ 0 0 47 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.869 107.9 51.5 -68.1 -37.6 -7.4 -19.0 -28.9 93 111 A L H X S+ 0 0 17 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.907 108.0 53.2 -62.0 -42.1 -4.0 -17.5 -29.8 94 112 A Q H < S+ 0 0 119 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.911 109.6 47.8 -58.7 -42.1 -4.6 -18.5 -33.4 95 113 A K H >< S+ 0 0 43 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.923 110.0 52.2 -66.7 -43.7 -8.0 -16.8 -33.4 96 114 A I H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.3 4,-0.3 0.906 100.5 63.6 -55.1 -42.0 -6.5 -13.6 -31.9 97 115 A S G >< S+ 0 0 51 -4,-2.3 3,-0.7 1,-0.3 -1,-0.3 0.603 85.7 72.9 -66.2 -11.4 -3.8 -13.6 -34.6 98 116 A T G < S+ 0 0 98 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.726 95.5 53.2 -69.3 -21.5 -6.5 -13.1 -37.3 99 117 A A G < S- 0 0 11 -3,-2.2 2,-0.3 -4,-0.3 -1,-0.2 0.471 125.3 -59.9 -93.8 -4.0 -6.8 -9.5 -36.0 100 118 A G S < S- 0 0 25 -3,-0.7 -1,-0.3 -4,-0.3 2,-0.2 -0.875 82.2 -22.1 152.9-179.7 -3.1 -8.7 -36.3 101 119 A T - 0 0 52 -22,-0.3 -19,-3.3 -21,-0.3 2,-0.5 -0.385 65.1-159.7 -57.4 121.3 0.6 -9.5 -35.5 102 120 A T E -f 82 0B 22 -21,-0.2 -19,-0.2 -2,-0.2 -5,-0.1 -0.937 17.5-171.9-120.8 126.1 0.3 -11.3 -32.2 103 121 A I E -f 83 0B 0 -21,-2.9 -19,-2.1 -2,-0.5 2,-0.9 -0.954 19.5-141.6-116.0 112.9 3.1 -11.7 -29.6 104 122 A P E -f 84 0B 33 0, 0.0 2,-0.4 0, 0.0 -19,-0.3 -0.663 20.9-143.8 -74.8 109.6 2.3 -14.1 -26.7 105 123 A V E -f 85 0B 0 -21,-2.2 -19,-1.9 -2,-0.9 -18,-0.3 -0.603 22.8-108.6 -78.8 130.2 3.9 -12.4 -23.7 106 124 A S - 0 0 6 -2,-0.4 -1,-0.1 -21,-0.2 9,-0.1 -0.302 18.9-162.5 -66.6 134.8 5.4 -14.9 -21.2 107 125 A H + 0 0 39 -2,-0.1 2,-0.7 3,-0.0 67,-0.6 0.306 62.9 110.3 -91.9 4.2 3.9 -15.6 -17.7 108 126 A I B > -H 173 0D 53 1,-0.2 3,-2.5 65,-0.1 65,-0.2 -0.752 66.8-146.5 -83.4 115.7 7.2 -17.0 -16.6 109 127 A S G > S+ 0 0 1 63,-1.5 3,-1.7 -2,-0.7 64,-0.2 0.730 92.6 69.3 -62.6 -24.9 8.4 -14.4 -14.1 110 128 A S G 3 S+ 0 0 63 62,-0.9 3,-0.3 1,-0.3 -1,-0.3 0.636 93.2 62.7 -65.3 -11.4 12.1 -14.9 -14.9 111 129 A N G <> + 0 0 39 -3,-2.5 4,-2.4 1,-0.2 -1,-0.3 0.206 67.5 113.3 -95.4 14.0 11.2 -13.3 -18.2 112 130 A W H <> S+ 0 0 13 -3,-1.7 4,-1.9 1,-0.2 151,-0.3 0.856 76.7 48.4 -55.7 -39.7 10.1 -10.0 -16.6 113 131 A K H > S+ 0 0 67 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.942 111.8 48.5 -68.0 -44.3 13.1 -8.1 -18.1 114 132 A E H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.859 111.0 51.8 -62.9 -37.0 12.4 -9.4 -21.6 115 133 A N H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.895 111.8 45.7 -64.9 -44.4 8.7 -8.6 -21.3 116 134 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.913 112.8 49.8 -64.8 -45.1 9.5 -5.0 -20.3 117 135 A M H X S+ 0 0 43 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.827 105.9 58.5 -67.4 -30.6 12.0 -4.6 -23.1 118 136 A L H X S+ 0 0 2 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.974 109.9 41.4 -59.0 -55.2 9.5 -5.9 -25.6 119 137 A L H X S+ 0 0 1 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.893 115.2 53.3 -61.4 -37.2 7.0 -3.2 -24.7 120 138 A A H X>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-1.2 0.911 108.3 48.3 -64.1 -44.6 9.9 -0.7 -24.6 121 139 A Q H <5S+ 0 0 66 -4,-3.0 3,-0.2 1,-0.2 -1,-0.2 0.867 110.5 52.8 -61.5 -37.0 11.1 -1.7 -28.1 122 140 A L H <5S+ 0 0 0 -4,-2.1 -105,-2.6 1,-0.2 -1,-0.2 0.786 121.1 31.3 -68.2 -26.5 7.6 -1.4 -29.5 123 141 A T H <5S- 0 0 23 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.385 109.2-109.4-117.4 1.4 7.2 2.2 -28.1 124 142 A G T <5S+ 0 0 46 -4,-1.2 3,-0.2 -3,-0.2 -3,-0.2 0.777 81.8 120.6 73.5 32.3 10.7 3.6 -28.2 125 143 A K >< + 0 0 53 -5,-2.4 4,-2.2 -6,-0.2 -4,-0.2 -0.104 18.2 127.9-122.6 35.2 11.2 3.6 -24.4 126 144 A E H > S+ 0 0 83 -6,-0.4 4,-2.6 1,-0.2 5,-0.2 0.882 74.8 52.7 -57.0 -45.7 14.3 1.4 -24.0 127 145 A K H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.930 111.0 47.3 -58.7 -45.8 16.2 4.0 -21.9 128 146 A K H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.873 111.9 49.9 -63.3 -41.0 13.2 4.2 -19.5 129 147 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.926 109.8 50.7 -63.8 -45.4 12.8 0.4 -19.3 130 148 A K H X S+ 0 0 65 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.886 109.5 51.2 -62.4 -38.4 16.5 -0.0 -18.5 131 149 A K H X S+ 0 0 95 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.913 110.8 48.7 -63.1 -42.4 16.3 2.6 -15.8 132 150 A I H X S+ 0 0 32 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.933 113.4 46.2 -61.9 -46.0 13.3 0.8 -14.3 133 151 A I H X S+ 0 0 23 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.936 112.6 50.5 -64.1 -45.1 15.1 -2.5 -14.4 134 152 A A H X S+ 0 0 55 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.846 109.5 51.9 -58.8 -36.8 18.3 -1.0 -12.9 135 153 A D H X S+ 0 0 98 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.881 106.9 51.8 -74.0 -36.5 16.2 0.6 -10.1 136 154 A Y H X S+ 0 0 5 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.938 110.4 49.4 -59.9 -45.9 14.6 -2.7 -9.2 137 155 A E H X S+ 0 0 68 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.908 112.0 47.3 -64.6 -40.5 18.0 -4.4 -9.0 138 156 A Q H X S+ 0 0 56 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.928 112.4 50.8 -63.7 -44.9 19.4 -1.6 -6.7 139 157 A D H X S+ 0 0 79 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.897 108.7 51.9 -57.5 -43.4 16.2 -1.8 -4.6 140 158 A L H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.926 107.8 52.0 -61.0 -44.3 16.7 -5.6 -4.3 141 159 A K H X S+ 0 0 154 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.910 115.2 40.6 -58.9 -45.0 20.3 -5.1 -3.1 142 160 A E H X S+ 0 0 42 -4,-2.0 4,-0.6 1,-0.2 3,-0.4 0.879 114.9 51.8 -70.9 -39.3 19.3 -2.7 -0.4 143 161 A T H >X S+ 0 0 18 -4,-2.6 3,-1.5 1,-0.2 4,-0.6 0.892 99.6 61.6 -69.8 -41.9 16.2 -4.6 0.7 144 162 A K H >< S+ 0 0 80 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.838 103.4 52.7 -50.8 -37.7 18.0 -7.9 1.1 145 163 A T H 3< S+ 0 0 111 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.700 103.1 57.3 -74.2 -22.3 20.1 -6.3 3.8 146 164 A K H << S+ 0 0 105 -3,-1.5 2,-0.6 -4,-0.6 -1,-0.2 0.514 90.0 85.5 -85.7 -8.2 17.1 -5.0 5.7 147 165 A I S << S- 0 0 4 -3,-0.8 5,-0.1 -4,-0.6 127,-0.1 -0.869 83.8-121.0-100.5 123.1 15.6 -8.5 6.1 148 166 A N > - 0 0 94 -2,-0.6 4,-1.7 1,-0.1 3,-0.3 -0.171 18.7-116.4 -63.1 152.7 16.9 -10.5 9.1 149 167 A D H > S+ 0 0 66 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.796 113.5 56.6 -63.8 -32.9 18.6 -13.9 8.6 150 168 A K H >4 S+ 0 0 168 2,-0.2 3,-0.7 1,-0.2 4,-0.3 0.914 106.5 50.8 -63.2 -43.2 15.9 -15.8 10.5 151 169 A A H >4 S+ 0 0 7 -3,-0.3 3,-1.5 1,-0.2 -2,-0.2 0.901 106.9 54.1 -58.7 -42.8 13.2 -14.4 8.1 152 170 A K H 3< S+ 0 0 61 -4,-1.7 34,-0.3 1,-0.3 -1,-0.2 0.696 109.1 49.4 -67.7 -19.6 15.4 -15.5 5.2 153 171 A D T << S+ 0 0 134 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.382 91.7 107.1 -97.1 3.5 15.4 -19.1 6.6 154 172 A S S < S- 0 0 12 -3,-1.5 2,-0.7 -4,-0.3 32,-0.5 -0.282 77.0-109.8 -81.1 165.7 11.7 -19.3 7.2 155 173 A K + 0 0 86 54,-0.1 56,-2.1 30,-0.1 57,-1.8 -0.872 46.3 174.1 -96.6 110.2 9.1 -21.4 5.2 156 174 A A E -i 212 0E 0 -2,-0.7 2,-0.4 30,-0.4 57,-0.2 -0.943 10.9-171.7-125.7 143.3 7.0 -18.9 3.3 157 175 A L E -i 213 0E 0 55,-1.9 57,-2.6 -2,-0.4 2,-0.5 -0.984 15.3-148.4-135.7 143.4 4.3 -19.6 0.7 158 176 A V E +i 214 0E 1 -2,-0.4 2,-0.4 55,-0.2 11,-0.3 -0.959 23.8 178.9-107.5 122.0 2.3 -17.4 -1.7 159 177 A I E -i 215 0E 0 55,-2.9 57,-2.6 -2,-0.5 2,-0.4 -0.929 15.4-157.2-119.5 152.5 -1.2 -18.7 -2.5 160 178 A R E -iJ 216 167E 8 7,-1.9 7,-2.3 -2,-0.4 2,-0.5 -0.997 13.5-141.4-125.7 133.8 -4.0 -17.2 -4.6 161 179 A I E +iJ 217 166E 3 55,-2.6 57,-0.6 -2,-0.4 2,-0.4 -0.846 24.9 173.8 -99.2 123.8 -7.6 -18.1 -4.1 162 180 A R E > - 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0 0 9 0, 0.0 4,-2.2 0, 0.0 3,-1.2 -0.354 26.7-110.7 -60.9 149.9 8.8 -25.6 -0.4 189 207 A N H 3> S+ 0 0 128 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.831 118.0 60.7 -51.8 -34.9 8.9 -28.9 -2.2 190 208 A E H 34 S+ 0 0 50 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.850 108.0 44.1 -64.5 -34.3 5.3 -28.5 -3.3 191 209 A V H X4 S+ 0 0 0 -3,-1.2 3,-0.8 2,-0.2 -20,-0.6 0.884 112.2 52.2 -73.1 -42.7 6.3 -25.3 -5.2 192 210 A K H 3< S+ 0 0 106 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.855 111.6 48.0 -59.9 -34.6 9.4 -27.1 -6.6 193 211 A A T 3< S+ 0 0 47 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 0.581 86.8 109.5 -83.7 -12.1 7.1 -29.9 -7.8 194 212 A A < - 0 0 9 -3,-0.8 -23,-0.3 -4,-0.4 3,-0.1 -0.515 44.2-173.8 -72.1 130.0 4.5 -27.6 -9.4 195 213 A K S S- 0 0 176 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.695 71.4 -22.2 -93.6 -26.3 4.5 -27.7 -13.2 196 214 A A S S- 0 0 29 -28,-0.1 -1,-0.2 95,-0.0 -28,-0.1 -0.885 111.2 -27.1-158.8-172.6 2.0 -24.8 -13.6 197 215 A Q S S- 0 0 23 -2,-0.3 2,-0.4 -28,-0.1 -28,-0.2 -0.336 76.7-167.9 -46.4 126.4 -0.7 -23.1 -11.6 198 216 A E E -K 168 0E 73 -30,-2.9 -30,-3.0 -3,-0.0 2,-0.3 -0.989 24.2-122.7-138.7 132.5 -1.7 -25.9 -9.3 199 217 A L E -K 167 0E 83 -2,-0.4 2,-0.4 -32,-0.2 -32,-0.2 -0.544 28.6-168.8 -72.9 132.6 -4.5 -26.6 -6.9 200 218 A I - 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