==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 13-FEB-09 3G9Q . COMPND 2 MOLECULE: FERRICHROME-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR F.FOROUHAR,H.NEELY,J.SEETHARAMAN,H.JANJUA,L.MAO,R.XIAO,C.CIC . 258 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.9 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 0.4 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 . 10 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.1 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 3 2 0 3 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 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 2 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 54 A I 0 0 125 0, 0.0 2,-0.1 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 123.8 6.8 -5.3 -6.8 2 55 A P - 0 0 38 0, 0.0 2,-0.4 0, 0.0 62,-0.0 -0.407 360.0-136.2 -70.2 136.5 6.0 -2.1 -8.7 3 56 A K S S+ 0 0 130 1,-0.3 103,-0.2 -2,-0.1 102,-0.2 -0.761 91.4 10.5 -88.7 136.5 8.1 1.1 -8.3 4 57 A H S S- 0 0 126 101,-2.2 -1,-0.3 -2,-0.4 102,-0.1 0.961 90.1-155.1 58.9 55.5 5.8 4.1 -8.0 5 58 A P - 0 0 10 0, 0.0 20,-0.4 0, 0.0 3,-0.2 -0.347 12.3-154.4 -64.3 141.3 2.5 2.1 -7.6 6 59 A K S S+ 0 0 167 1,-0.3 2,-0.4 18,-0.1 -2,-0.0 0.755 81.7 30.5 -87.2 -28.5 -0.6 4.0 -8.7 7 60 A R + 0 0 85 19,-0.1 57,-2.6 2,-0.0 58,-1.0 -0.870 69.3 178.4-139.0 106.2 -3.1 2.1 -6.6 8 61 A V E -ab 26 65A 0 17,-2.0 19,-2.4 -2,-0.4 20,-1.0 -0.899 14.1-160.5-111.8 131.4 -2.2 0.6 -3.2 9 62 A V E -ab 28 66A 5 56,-2.2 58,-2.3 -2,-0.4 2,-0.7 -0.947 11.2-161.5-108.8 119.0 -4.5 -1.3 -0.8 10 63 A V E + b 0 67A 0 18,-2.4 58,-0.2 -2,-0.6 6,-0.1 -0.891 17.8 174.0-105.4 109.8 -3.1 -1.4 2.7 11 64 A X + 0 0 24 56,-3.0 2,-1.0 -2,-0.7 57,-0.2 0.580 66.0 80.2 -90.5 -7.9 -4.6 -4.1 4.9 12 65 A A >> - 0 0 0 55,-0.7 3,-2.7 1,-0.2 4,-0.5 -0.780 69.1-160.1 -99.4 90.2 -2.2 -3.3 7.8 13 66 A D G >4 S+ 0 0 21 -2,-1.0 3,-1.3 1,-0.3 4,-0.4 0.791 84.4 66.5 -35.8 -46.1 -3.7 -0.3 9.5 14 67 A G G 34 S+ 0 0 12 1,-0.2 226,-0.3 2,-0.1 -1,-0.3 0.473 100.9 48.3 -61.8 -4.0 -0.4 0.7 11.1 15 68 A Y G X> S+ 0 0 13 -3,-2.7 3,-1.9 2,-0.1 4,-1.3 0.547 79.6 94.5-112.1 -12.4 1.3 1.4 7.8 16 69 A Y H S+ 0 0 0 -4,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.719 102.4 60.6 -59.2 -23.8 0.4 6.8 7.4 18 71 A Y H <> S+ 0 0 5 -3,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.925 108.2 40.6 -69.2 -47.5 3.8 5.6 5.9 19 72 A F H X>S+ 0 0 0 -4,-1.3 5,-1.5 -3,-0.4 4,-1.5 0.832 112.4 57.4 -71.5 -32.5 2.5 5.5 2.3 20 73 A K H <5S+ 0 0 94 -4,-1.9 3,-0.5 -5,-0.3 -2,-0.2 0.958 107.4 47.5 -63.2 -48.4 0.6 8.8 2.9 21 74 A T H <5S+ 0 0 27 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.945 112.7 48.5 -57.2 -47.7 3.9 10.5 3.9 22 75 A L H <5S- 0 0 2 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.737 114.8-119.7 -65.3 -21.5 5.6 9.0 0.8 23 76 A G T <5 + 0 0 43 -4,-1.5 2,-0.3 -3,-0.5 -3,-0.2 0.463 57.4 153.8 96.4 0.7 2.7 10.2 -1.4 24 77 A I < - 0 0 13 -5,-1.5 2,-0.3 -6,-0.1 -1,-0.3 -0.486 51.0-116.2 -66.8 123.1 1.7 6.8 -2.7 25 78 A N - 0 0 67 -20,-0.4 -17,-2.0 -2,-0.3 2,-0.5 -0.439 30.9-157.8 -65.1 120.7 -1.9 6.9 -3.6 26 79 A V E -a 8 0A 5 -2,-0.3 -17,-0.2 -19,-0.2 3,-0.1 -0.896 16.4-178.1-105.9 128.5 -3.8 4.5 -1.3 27 80 A V E + 0 0 9 -19,-2.4 21,-1.6 -2,-0.5 2,-0.3 0.582 67.7 26.1-101.8 -11.4 -7.2 3.2 -2.5 28 81 A G E +ac 9 48A 1 -20,-1.0 -18,-2.4 19,-0.3 -1,-0.2 -0.994 56.3 168.7-154.3 145.4 -8.1 1.1 0.5 29 82 A A - 0 0 5 19,-2.9 -18,-0.2 -2,-0.3 23,-0.1 -0.984 35.6-100.5-152.4 153.5 -7.5 0.9 4.3 30 83 A P >> - 0 0 5 0, 0.0 4,-0.7 0, 0.0 3,-0.7 -0.117 46.4 -92.8 -69.1 173.6 -8.9 -1.0 7.3 31 84 A E G >4 S+ 0 0 79 19,-1.5 3,-1.1 1,-0.2 4,-0.1 0.872 115.9 68.3 -57.7 -44.3 -11.3 0.5 9.8 32 85 A N G >> S+ 0 0 58 1,-0.3 3,-2.3 2,-0.2 4,-1.6 0.886 94.2 61.0 -42.4 -46.4 -8.8 1.8 12.4 33 86 A V G <4 S+ 0 0 0 -3,-0.7 7,-0.9 1,-0.3 3,-0.4 0.881 100.5 51.9 -50.1 -46.3 -7.6 4.3 9.8 34 87 A F G << S+ 0 0 34 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.212 114.2 46.2 -79.6 17.8 -11.0 6.0 9.6 35 88 A K T <4 S+ 0 0 110 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.540 81.8 104.6-128.1 -23.4 -11.0 6.3 13.4 36 89 A N >X> - 0 0 0 -4,-1.6 3,-1.7 -3,-0.4 4,-0.8 -0.443 65.6-142.5 -64.7 124.1 -7.5 7.6 14.2 37 90 A P T 345S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.749 101.5 56.8 -62.4 -20.4 -7.8 11.3 15.0 38 91 A Y T 345S+ 0 0 56 2,-0.1 -2,-0.1 3,-0.1 -5,-0.0 0.628 116.7 35.2 -86.1 -9.0 -4.5 12.0 13.2 39 92 A Y T X>5S+ 0 0 0 -3,-1.7 3,-3.6 -6,-0.2 4,-3.5 0.785 119.2 37.2-101.8 -86.2 -6.0 10.5 10.0 40 93 A K T 3<5S+ 0 0 113 -7,-0.9 4,-0.2 -4,-0.8 -2,-0.1 0.761 98.5 89.2 -40.6 -25.8 -9.7 11.1 9.4 41 94 A G T 34 + 0 0 31 -2,-0.5 3,-1.3 -4,-0.2 -1,-0.1 0.447 45.2 120.2-149.7 -19.7 -9.2 10.1 4.0 45 98 A G T 3 S+ 0 0 83 1,-0.3 2,-0.2 -3,-0.3 -2,-0.1 0.650 79.9 35.8 -19.9 -59.6 -10.4 11.5 0.8 46 99 A V T 3 S+ 0 0 93 -20,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.251 97.1 92.8-105.3 48.6 -9.5 8.7 -1.6 47 100 A E < - 0 0 31 -3,-1.3 -19,-0.3 -2,-0.2 2,-0.2 -0.984 54.2-139.9-144.5 155.7 -10.0 5.4 0.2 48 101 A N B -c 28 0A 71 -21,-1.6 -19,-2.9 -2,-0.3 -2,-0.0 -0.656 25.4-136.0 -99.6 158.4 -12.3 2.5 0.9 49 102 A I + 0 0 63 -2,-0.2 2,-0.3 -21,-0.2 -1,-0.2 0.208 33.2 144.2 -92.9-145.7 -12.6 0.9 4.4 50 103 A G - 0 0 22 1,-0.1 -19,-1.5 -22,-0.1 -22,-0.0 -0.817 51.9-105.2 135.3-175.0 -12.7 -2.8 5.4 51 104 A D - 0 0 101 -2,-0.3 -1,-0.1 -21,-0.2 -19,-0.1 0.489 59.5 -96.6-123.8 -18.0 -11.5 -5.1 8.3 52 105 A G S S+ 0 0 20 2,-0.1 -41,-0.1 -23,-0.1 3,-0.1 0.593 106.9 67.2 110.0 13.9 -8.6 -6.9 6.6 53 106 A T + 0 0 85 20,-0.1 2,-0.9 1,-0.1 21,-0.2 0.642 62.0 97.7-126.5 -50.1 -10.2 -10.2 5.6 54 107 A S > - 0 0 30 1,-0.2 4,-0.7 2,-0.1 3,-0.4 -0.260 46.1-177.3 -52.2 91.8 -12.7 -9.6 2.8 55 108 A V H > S+ 0 0 26 -2,-0.9 4,-1.0 1,-0.2 3,-0.4 0.769 79.5 61.7 -62.2 -29.6 -10.6 -10.5 -0.2 56 109 A E H > S+ 0 0 124 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.890 94.7 58.8 -66.7 -41.6 -13.5 -9.5 -2.5 57 110 A K H 4 S+ 0 0 82 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.772 105.5 51.5 -60.6 -24.2 -13.5 -5.9 -1.2 58 111 A V H >< S+ 0 0 8 -4,-0.7 3,-1.3 -3,-0.4 -1,-0.3 0.782 100.2 63.7 -81.9 -29.4 -9.9 -5.6 -2.5 59 112 A I H >< S+ 0 0 76 -4,-1.0 3,-1.8 -3,-0.5 -2,-0.2 0.900 96.3 56.8 -60.3 -42.5 -10.9 -7.0 -5.9 60 113 A D T 3< S+ 0 0 124 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.441 102.9 55.2 -72.5 1.3 -13.1 -4.0 -6.6 61 114 A L T < S- 0 0 16 -3,-1.3 -1,-0.3 -54,-0.0 -2,-0.2 0.316 92.9-148.2-112.8 5.5 -10.2 -1.6 -6.1 62 115 A N < - 0 0 111 -3,-1.8 2,-0.1 -4,-0.1 -3,-0.1 0.801 24.2-163.2 19.9 76.2 -8.0 -3.3 -8.7 63 116 A P - 0 0 10 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.453 29.8-152.5 -82.9 155.5 -4.7 -2.6 -6.9 64 117 A D S S+ 0 0 45 -57,-2.6 2,-0.3 1,-0.3 -56,-0.2 0.338 88.4 25.3-103.2 1.5 -1.2 -2.7 -8.4 65 118 A L E -b 8 0A 0 -58,-1.0 -56,-2.2 17,-0.1 2,-0.4 -0.893 65.1-162.8-166.3 133.7 0.2 -3.5 -4.9 66 119 A I E -bd 9 84A 0 17,-2.4 19,-3.0 -2,-0.3 2,-0.5 -0.961 4.6-165.2-120.9 134.9 -1.1 -5.0 -1.7 67 120 A I E +bd 10 85A 0 -58,-2.3 -56,-3.0 -2,-0.4 -55,-0.7 -0.976 19.4 153.9-124.8 127.5 0.4 -4.7 1.7 68 121 A V E - d 0 86A 3 17,-2.1 19,-1.7 -2,-0.5 2,-0.1 -0.968 40.3-105.1-142.8 160.5 -0.5 -6.9 4.7 69 122 A W E - d 0 87A 53 -2,-0.3 19,-0.2 17,-0.2 -58,-0.0 -0.320 21.4-131.1 -79.5 168.3 1.0 -8.2 7.9 70 123 A T 0 0 68 17,-0.8 18,-0.1 16,-0.1 -1,-0.1 0.712 360.0 360.0 -89.4 -24.4 2.2 -11.9 8.3 71 124 A T 0 0 138 16,-0.3 17,-0.0 0, 0.0 -2,-0.0 0.568 360.0 360.0 -84.9 360.0 0.3 -12.3 11.6 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 127 A A 0 0 85 0, 0.0 2,-0.8 0, 0.0 -20,-0.1 0.000 360.0 360.0 360.0 157.0 -5.4 -13.3 6.1 74 128 A D > + 0 0 64 -21,-0.2 4,-1.8 1,-0.2 5,-0.1 -0.811 360.0 177.4-108.5 92.5 -5.0 -15.3 2.9 75 129 A I H > S+ 0 0 43 -2,-0.8 4,-3.5 1,-0.2 5,-0.3 0.951 78.5 53.9 -58.6 -54.2 -1.8 -14.2 1.2 76 130 A K H > S+ 0 0 150 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.891 108.2 50.0 -49.0 -46.9 -1.9 -16.7 -1.7 77 131 A K H > S+ 0 0 124 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.935 116.4 44.0 -56.7 -46.4 -5.5 -15.5 -2.7 78 132 A L H >X S+ 0 0 1 -4,-1.8 4,-1.6 1,-0.2 3,-1.0 0.907 100.7 64.2 -65.4 -48.7 -4.2 -12.0 -2.6 79 133 A E H 3< S+ 0 0 94 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.813 100.1 59.6 -47.4 -29.1 -0.9 -12.5 -4.5 80 134 A K H 3< S+ 0 0 186 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.921 102.4 49.9 -67.1 -45.6 -3.3 -13.4 -7.3 81 135 A I H << S- 0 0 55 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.947 128.7 -30.6 -59.6 -53.4 -4.9 -10.0 -7.3 82 136 A A S < S- 0 0 8 -4,-1.6 -1,-0.2 -18,-0.0 -17,-0.1 -0.969 87.4 -55.0-160.1 166.9 -1.7 -7.9 -7.4 83 137 A P - 0 0 60 0, 0.0 -17,-2.4 0, 0.0 2,-0.4 -0.317 64.0-160.0 -50.7 117.3 2.0 -7.9 -6.3 84 138 A T E -d 66 0A 30 -19,-0.2 2,-0.5 -5,-0.1 -17,-0.2 -0.874 10.6-157.2-111.5 138.5 1.6 -8.5 -2.6 85 139 A V E -d 67 0A 10 -19,-3.0 -17,-2.1 -2,-0.4 2,-0.4 -0.949 4.7-151.2-117.6 132.4 4.1 -7.7 0.1 86 140 A A E -d 68 0A 57 -2,-0.5 2,-0.5 -19,-0.2 -17,-0.2 -0.836 9.3-164.1-100.8 137.0 4.2 -9.3 3.5 87 141 A V E -d 69 0A 7 -19,-1.7 -17,-0.8 -2,-0.4 -16,-0.3 -0.930 17.3-136.1-127.3 107.1 5.6 -7.3 6.4 88 142 A K > - 0 0 117 -2,-0.5 3,-1.5 -19,-0.2 4,-0.5 -0.446 37.7-111.9 -60.2 120.3 6.7 -9.1 9.6 89 143 A Y T 3 S+ 0 0 138 -2,-0.3 -1,-0.1 1,-0.3 -20,-0.0 -0.305 92.1 2.9 -61.6 136.3 5.3 -6.9 12.4 90 144 A D T 3 S+ 0 0 113 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.674 94.6 120.2 62.6 18.8 7.8 -5.0 14.6 91 145 A K < + 0 0 125 -3,-1.5 2,-0.2 3,-0.0 -2,-0.1 0.974 66.4 52.4 -74.0 -56.3 10.6 -6.4 12.5 92 146 A L S S- 0 0 42 -4,-0.5 -2,-0.1 1,-0.1 0, 0.0 -0.480 90.9-117.2 -81.7 151.0 11.9 -3.0 11.4 93 147 A D - 0 0 112 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.953 47.1-104.5 -46.5 -79.9 12.8 -0.3 13.9 94 148 A N S S+ 0 0 29 -3,-0.0 4,-0.4 -4,-0.0 -1,-0.1 0.016 115.7 45.2 176.6 -47.0 10.3 2.4 12.9 95 149 A I S > S+ 0 0 50 2,-0.2 4,-0.7 1,-0.1 20,-0.1 0.638 115.1 54.6 -86.4 -18.3 12.2 5.1 11.0 96 150 A E H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.871 99.1 59.3 -78.5 -40.0 13.8 2.1 9.2 97 151 A Q H > S+ 0 0 4 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.749 105.2 51.6 -58.5 -27.0 10.3 0.8 8.3 98 152 A L H > S+ 0 0 1 -4,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.786 109.1 48.1 -80.1 -31.9 9.8 4.1 6.4 99 153 A K H X S+ 0 0 113 -4,-0.7 4,-1.6 -3,-0.5 -2,-0.2 0.701 108.0 56.5 -81.9 -19.9 13.0 3.8 4.5 100 154 A E H X S+ 0 0 62 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.935 112.5 40.5 -73.8 -46.4 12.1 0.2 3.6 101 155 A F H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.838 113.2 54.8 -68.8 -35.9 8.8 1.4 2.0 102 156 A A H X>S+ 0 0 1 -4,-1.7 5,-2.9 2,-0.2 4,-1.3 0.923 112.3 42.9 -63.9 -44.4 10.5 4.4 0.5 103 157 A K H <5S+ 0 0 130 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.891 112.6 54.4 -67.4 -41.5 13.1 2.2 -1.2 104 158 A X H <5S+ 0 0 31 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.820 118.3 34.0 -62.2 -33.6 10.4 -0.3 -2.2 105 159 A T H <5S- 0 0 0 -4,-1.8 -101,-2.2 -102,-0.2 -1,-0.2 0.528 110.7-112.8-102.8 -6.8 8.3 2.4 -3.9 106 160 A G T <5S+ 0 0 18 -4,-1.3 -3,-0.2 -103,-0.2 -4,-0.1 0.893 82.9 115.5 76.6 43.1 11.1 4.6 -5.3 107 161 A T >>< + 0 0 13 -5,-2.9 4,-1.5 -6,-0.1 3,-1.3 -0.124 18.3 138.9-133.5 37.5 10.4 7.6 -3.1 108 162 A E H 3> S+ 0 0 85 -6,-0.4 4,-2.0 1,-0.3 5,-0.2 0.722 72.7 59.5 -56.7 -21.5 13.5 7.8 -1.0 109 163 A D H 3> S+ 0 0 101 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.825 102.7 50.7 -76.9 -32.7 13.4 11.7 -1.4 110 164 A K H <> S+ 0 0 93 -3,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.868 113.9 45.4 -71.4 -36.1 10.0 11.9 0.2 111 165 A A H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.899 112.8 46.9 -74.0 -45.6 11.2 9.8 3.2 112 166 A E H X S+ 0 0 127 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.809 111.0 56.4 -67.6 -28.3 14.5 11.6 3.8 113 167 A K H X S+ 0 0 126 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.952 109.4 42.8 -67.3 -50.8 12.6 14.9 3.5 114 168 A W H X S+ 0 0 8 -4,-1.7 4,-3.4 1,-0.2 -2,-0.2 0.845 110.1 57.1 -64.1 -37.2 10.2 14.0 6.3 115 169 A L H X S+ 0 0 25 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.889 106.6 50.3 -60.6 -38.3 13.0 12.6 8.5 116 170 A A H X S+ 0 0 64 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.892 113.0 45.4 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-0.817 10.5-133.6 -97.6 126.7 -4.3 10.2 26.4 233 290 A D > - 0 0 63 -2,-0.5 4,-1.9 1,-0.1 3,-0.3 -0.709 8.2-151.3 -83.7 116.2 -6.4 9.0 23.5 234 291 A P T 4 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -77,-0.1 0.780 93.9 49.3 -54.9 -33.2 -6.1 5.3 23.1 235 292 A I T >4 S+ 0 0 35 2,-0.2 3,-0.7 1,-0.2 4,-0.4 0.839 108.6 52.1 -77.6 -35.4 -6.8 5.4 19.3 236 293 A G G >4 S+ 0 0 0 -3,-0.3 3,-0.6 1,-0.2 -1,-0.2 0.901 112.9 43.4 -68.5 -40.3 -4.3 8.1 18.6 237 294 A F G 3< S+ 0 0 5 -4,-1.9 -80,-1.2 1,-0.2 -79,-0.2 0.272 90.4 90.9 -89.7 11.3 -1.4 6.4 20.3 238 295 A Y G < S+ 0 0 120 -3,-0.7 -1,-0.2 -5,-0.2 2,-0.2 0.822 87.1 48.4 -72.4 -36.5 -2.3 3.1 18.8 239 296 A F < - 0 0 7 -3,-0.6 -82,-0.1 -4,-0.4 -224,-0.1 -0.635 56.5-163.4-107.2 166.8 -0.0 3.7 15.8 240 297 A T + 0 0 52 -226,-0.3 -3,-0.1 -2,-0.2 -1,-0.0 -0.117 44.5 132.1-137.3 34.0 3.6 4.9 15.3 241 298 A D S > S- 0 0 0 1,-0.1 4,-3.0 -143,-0.0 5,-0.3 -0.435 74.9 -93.2 -83.0 165.6 3.6 5.9 11.7 242 299 A P H > S+ 0 0 3 0, 0.0 4,-1.4 0, 0.0 -224,-0.1 0.797 125.4 45.2 -47.5 -40.7 5.1 9.3 10.6 243 300 A I H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.919 115.3 45.4 -72.7 -45.7 1.8 11.1 10.7 244 301 A S H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.879 110.7 54.7 -64.8 -39.6 0.7 9.7 14.1 245 302 A L H X S+ 0 0 6 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.903 108.2 49.6 -61.1 -42.1 4.1 10.3 15.5 246 303 A E H X S+ 0 0 52 -4,-1.4 4,-1.5 -5,-0.3 -2,-0.2 0.945 113.2 45.9 -62.7 -47.1 3.8 14.0 14.5 247 304 A G H X S+ 0 0 11 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.875 113.8 49.4 -62.6 -39.0 0.4 14.3 16.1 248 305 A Q H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.874 108.6 51.8 -68.2 -39.5 1.5 12.5 19.2 249 306 A L H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.809 108.4 52.7 -68.8 -28.7 4.6 14.7 19.7 250 307 A E H X S+ 0 0 151 -4,-1.5 4,-3.1 -5,-0.2 5,-0.3 0.947 111.1 45.7 -70.2 -47.5 2.4 17.8 19.4 251 308 A F H X S+ 0 0 56 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.895 113.3 50.0 -61.3 -41.4 0.1 16.5 22.1 252 309 A I H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.964 115.9 42.3 -59.4 -54.4 3.0 15.5 24.3 253 310 A T H X S+ 0 0 15 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.929 114.0 49.1 -59.9 -53.0 4.7 19.0 23.9 254 311 A E H >X S+ 0 0 111 -4,-3.1 4,-1.4 1,-0.2 3,-1.2 0.937 112.6 49.3 -54.5 -49.2 1.5 21.1 24.3 255 312 A S H 3< S+ 0 0 5 -4,-2.2 3,-0.4 -5,-0.3 -1,-0.2 0.911 112.6 47.0 -55.6 -49.3 0.5 19.2 27.4 256 313 A L H 3< S+ 0 0 10 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.466 120.9 36.1 -75.0 -4.1 3.9 19.6 29.0 257 314 A T H << S+ 0 0 33 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.424 79.7 120.6-128.6 -1.1 4.2 23.3 28.3 258 315 A K S < S- 0 0 103 -4,-1.4 -4,-0.0 -3,-0.4 -3,-0.0 -0.380 71.7 -91.6 -68.4 146.3 0.8 24.9 28.6 259 316 A L 0 0 178 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.199 360.0 360.0 -61.5 145.0 0.5 27.7 31.2 260 317 A E 0 0 179 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.332 360.0 360.0-114.2 360.0 -0.6 27.1 34.8