==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 13-AUG-11 3TEF . COMPND 2 MOLECULE: IRON(III) ABC TRANSPORTER, PERIPLASMIC IRON-COMPO . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR X.LIU,Z.WANG,S.LIU,N.LI,Y.CHEN,C.ZHU,D.ZHU,T.WEI,Y.HUANG,S.X . 279 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 6.5 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 . 3 1.1 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 . 17 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.5 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 5 1 1 2 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 1 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 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 51 A E 0 0 152 0, 0.0 15,-3.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 60.2 19.5 2.3 12.7 2 52 A T E -A 15 0A 93 13,-0.3 2,-0.3 11,-0.0 13,-0.3 -0.624 360.0-158.6-100.1 154.8 20.8 5.7 13.6 3 53 A V E -A 14 0A 26 11,-2.7 11,-2.0 -2,-0.2 2,-0.6 -0.949 12.5-140.7-124.3 149.8 20.6 9.1 11.9 4 54 A T E -A 13 0A 77 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.962 19.6-160.4-112.5 116.4 22.9 12.0 12.4 5 55 A I E -A 12 0A 0 7,-3.1 7,-2.3 -2,-0.6 2,-0.5 -0.850 5.4-151.0-102.4 126.9 21.0 15.3 12.3 6 56 A E E +A 11 0A 135 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.834 31.8 151.3 -96.7 125.0 22.8 18.6 11.7 7 57 A H E > -A 10 0A 18 3,-3.2 3,-2.0 -2,-0.5 97,-0.1 -0.764 60.2 -73.7-142.0-173.9 21.2 21.6 13.4 8 58 A R T 3 S+ 0 0 111 95,-0.4 3,-0.1 1,-0.3 96,-0.1 0.839 127.8 45.9 -57.3 -34.8 22.0 25.1 14.8 9 59 A L T 3 S- 0 0 61 1,-0.2 2,-0.3 94,-0.1 -1,-0.3 0.037 122.0 -93.6-101.9 26.2 23.6 23.6 17.9 10 60 A G E < -A 7 0A 32 -3,-2.0 -3,-3.2 93,-0.1 2,-0.4 -0.767 64.5 -26.6 111.5-148.6 25.7 21.0 16.2 11 61 A K E -A 6 0A 149 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.914 46.5-171.1-116.1 137.1 25.2 17.3 15.3 12 62 A T E -A 5 0A 9 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.5 -0.995 5.8-159.7-128.4 130.3 23.1 14.8 17.1 13 63 A T E +A 4 0A 74 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.913 24.7 148.6-110.0 132.8 23.0 11.1 16.5 14 64 A L E -A 3 0A 9 -11,-2.0 -11,-2.7 -2,-0.5 2,-0.2 -0.989 49.7 -88.5-154.1 157.7 20.0 8.9 17.6 15 65 A E E -A 2 0A 116 -2,-0.3 -13,-0.3 -13,-0.3 65,-0.0 -0.448 56.2-100.3 -63.7 137.0 18.1 5.8 16.6 16 66 A Q S S+ 0 0 44 -15,-3.1 111,-0.2 1,-0.2 110,-0.1 -0.153 97.5 24.9 -57.5 155.0 15.3 6.4 14.1 17 67 A K S S- 0 0 107 109,-3.5 -1,-0.2 108,-0.2 110,-0.2 0.941 76.9-155.8 54.7 58.9 11.7 6.7 15.3 18 68 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.434 2.5-152.8 -61.5 136.0 12.2 7.7 18.9 19 69 A Q S S+ 0 0 150 1,-0.2 2,-0.6 -2,-0.1 -2,-0.0 0.807 79.5 49.0 -86.1 -33.2 9.1 6.6 20.9 20 70 A R S S+ 0 0 90 58,-0.1 60,-3.1 19,-0.1 61,-1.7 -0.927 71.0 179.3-114.5 107.8 9.2 9.2 23.7 21 71 A V E -b 81 0B 2 -2,-0.6 19,-2.6 17,-0.3 20,-0.9 -0.935 13.7-162.4-115.4 129.2 9.6 12.8 22.4 22 72 A V E -bc 82 41B 0 59,-2.4 61,-2.8 -2,-0.5 2,-0.5 -0.915 13.9-161.4-106.2 135.0 9.8 15.9 24.6 23 73 A V E -bc 83 42B 1 18,-2.3 20,-1.9 -2,-0.4 2,-0.5 -0.970 14.0-176.3-126.2 125.4 9.2 19.2 22.9 24 74 A I E +b 84 0B 0 59,-2.8 61,-1.1 -2,-0.5 4,-0.2 -0.976 57.8 41.6-114.4 130.1 10.0 22.7 24.0 25 75 A G S > S- 0 0 9 -2,-0.5 4,-2.0 59,-0.2 5,-0.1 0.120 75.6-114.3 108.7 137.9 8.9 25.5 21.7 26 76 A V H > S+ 0 0 6 235,-0.3 4,-2.6 2,-0.2 236,-0.2 0.823 113.1 53.6 -74.9 -32.3 5.7 26.2 19.8 27 77 A G H > S+ 0 0 4 234,-0.6 4,-2.4 2,-0.2 239,-0.3 0.922 110.7 46.2 -69.3 -43.7 7.3 25.9 16.3 28 78 A A H > S+ 0 0 0 2,-0.2 4,-2.7 76,-0.2 5,-0.2 0.921 114.2 48.7 -60.5 -46.0 8.8 22.5 17.1 29 79 A L H X S+ 0 0 7 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.926 109.9 53.0 -62.3 -44.9 5.4 21.4 18.6 30 80 A D H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.957 114.3 40.1 -51.6 -56.3 3.6 22.7 15.5 31 81 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.931 116.9 49.7 -67.2 -40.2 5.8 20.8 13.0 32 82 A I H <>S+ 0 0 1 -4,-2.7 5,-2.2 -5,-0.2 3,-0.3 0.959 115.8 41.5 -63.5 -50.5 5.9 17.6 15.2 33 83 A D H ><5S+ 0 0 47 -4,-3.2 3,-1.9 -5,-0.2 -1,-0.2 0.917 111.3 57.6 -61.2 -42.6 2.2 17.4 15.7 34 84 A S H 3<5S+ 0 0 38 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.827 104.8 51.1 -58.4 -35.1 1.5 18.4 12.0 35 85 A F T 3<5S- 0 0 33 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.321 126.1-101.2 -89.5 7.6 3.5 15.4 10.8 36 86 A G T < 5S+ 0 0 65 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.618 75.8 135.7 92.1 15.1 1.6 13.1 13.1 37 87 A I < - 0 0 38 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.793 40.7-150.6 -97.4 137.5 3.9 12.6 16.0 38 88 A E - 0 0 97 -2,-0.4 -17,-0.3 2,-0.0 -5,-0.0 -0.921 12.9-146.3-113.2 116.0 2.6 12.8 19.6 39 89 A P - 0 0 3 0, 0.0 -17,-0.2 0, 0.0 3,-0.1 -0.242 11.0-140.2 -75.5 162.9 5.0 14.0 22.3 40 90 A V S S+ 0 0 32 -19,-2.6 2,-0.3 1,-0.3 -18,-0.2 0.603 86.1 13.5 -95.8 -17.0 5.1 12.7 25.9 41 91 A A E -c 22 0B 0 -20,-0.9 -18,-2.3 19,-0.2 2,-0.3 -0.977 68.1-173.2-158.6 148.5 5.8 16.2 27.5 42 92 A V E -cd 23 62B 0 19,-2.0 21,-2.3 -2,-0.3 22,-0.5 -0.978 30.5 -99.7-144.2 153.0 5.7 19.8 26.2 43 93 A S - 0 0 10 -20,-1.9 2,-0.4 -2,-0.3 22,-0.2 -0.318 38.8-132.2 -64.5 160.2 6.5 23.3 27.2 44 94 A K + 0 0 52 20,-2.5 2,-0.3 4,-0.0 22,-0.3 -0.965 28.5 170.7-121.6 138.0 3.6 25.4 28.5 45 95 A F > - 0 0 48 -2,-0.4 3,-1.8 20,-0.1 20,-0.0 -0.984 36.2-135.9-151.3 130.8 2.9 28.9 27.3 46 96 A D T 3 S+ 0 0 170 -2,-0.3 178,-0.1 1,-0.3 -1,-0.1 0.790 106.5 54.5 -60.9 -27.1 -0.1 31.1 27.9 47 97 A G T 3 S+ 0 0 19 176,-0.2 -1,-0.3 -3,-0.0 214,-0.1 0.234 72.1 147.2 -93.6 11.6 -0.1 32.1 24.2 48 98 A T < - 0 0 19 -3,-1.8 5,-0.0 1,-0.1 209,-0.0 -0.215 53.2-111.1 -48.8 131.9 -0.2 28.6 22.7 49 99 A P > - 0 0 15 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.300 20.2-111.5 -72.5 154.0 -2.2 28.7 19.5 50 100 A D G > S+ 0 0 139 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.852 113.3 65.1 -50.3 -40.7 -5.6 27.1 19.1 51 101 A Y G 3 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.611 109.1 40.4 -66.8 -7.7 -4.4 24.5 16.7 52 102 A L G X S+ 0 0 1 -3,-2.2 3,-1.7 1,-0.1 -1,-0.3 0.081 78.5 125.4-118.2 21.6 -2.2 23.0 19.5 53 103 A A G X + 0 0 43 -3,-2.3 3,-2.0 1,-0.3 4,-0.3 0.769 61.6 65.1 -57.9 -32.9 -4.8 23.4 22.3 54 104 A K G > S+ 0 0 103 1,-0.3 3,-1.3 -4,-0.2 -1,-0.3 0.830 93.8 62.5 -62.1 -28.3 -4.7 19.8 23.4 55 105 A Y G < S+ 0 0 5 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.522 86.9 74.3 -75.2 -3.6 -1.1 20.2 24.5 56 106 A K G < S+ 0 0 106 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.728 83.6 86.5 -78.5 -20.6 -2.2 22.8 27.0 57 107 A S S X S- 0 0 59 -3,-1.3 3,-1.8 -4,-0.3 -3,-0.0 -0.287 91.8-108.3 -84.1 166.4 -3.7 20.2 29.4 58 108 A D T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.1 0.446 104.9 88.2 -70.2 -2.5 -2.2 18.1 32.1 59 109 A K T 3 S+ 0 0 149 -5,-0.2 -1,-0.3 1,-0.2 -4,-0.1 0.850 92.8 50.3 -58.5 -31.8 -2.5 15.1 29.8 60 110 A Y S < S- 0 0 6 -3,-1.8 -1,-0.2 -6,-0.2 -19,-0.2 -0.923 96.0-130.8-111.5 110.7 0.9 16.3 28.7 61 111 A P - 0 0 45 0, 0.0 -19,-2.0 0, 0.0 2,-0.4 -0.246 32.4-100.2 -58.7 147.4 3.4 17.0 31.6 62 112 A S B -d 42 0B 47 -21,-0.2 -19,-0.2 1,-0.1 3,-0.1 -0.557 28.5-171.5 -75.7 127.0 5.1 20.4 31.5 63 113 A A - 0 0 0 -21,-2.3 7,-2.4 1,-0.4 2,-0.3 0.253 58.8 -93.3 -95.6 9.7 8.7 20.3 30.2 64 114 A G B -F 69 0C 12 -22,-0.5 -20,-2.5 5,-0.3 -1,-0.4 -0.781 57.5 -44.0 116.2-160.8 9.0 23.9 31.2 65 115 A S - 0 0 46 3,-2.1 -20,-0.1 -2,-0.3 5,-0.1 -0.310 63.5 -90.2 -96.2-176.1 8.5 27.3 29.5 66 116 A L S S+ 0 0 7 -22,-0.3 19,-0.2 1,-0.2 -21,-0.1 0.785 127.9 26.9 -63.7 -27.7 9.6 28.4 26.0 67 117 A F S S+ 0 0 105 1,-0.2 -1,-0.2 21,-0.1 24,-0.2 0.769 119.9 50.8-103.8 -35.4 12.9 29.6 27.5 68 118 A E S S- 0 0 129 22,-0.0 -3,-2.1 23,-0.0 -1,-0.2 -0.893 70.3-148.3-121.0 103.0 13.5 27.5 30.7 69 119 A P B -F 64 0C 11 0, 0.0 2,-1.1 0, 0.0 -5,-0.3 -0.335 17.8-128.2 -66.0 146.4 13.3 23.7 30.6 70 120 A D > - 0 0 55 -7,-2.4 4,-2.6 1,-0.2 5,-0.2 -0.802 30.0-175.5 -91.0 89.2 12.2 21.8 33.6 71 121 A F H > S+ 0 0 67 -2,-1.1 4,-2.6 1,-0.2 5,-0.2 0.878 76.2 54.7 -59.9 -39.8 15.2 19.4 33.7 72 122 A E H > S+ 0 0 161 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.945 112.2 42.0 -61.3 -47.3 13.8 17.3 36.6 73 123 A T H > S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.923 112.9 54.1 -67.1 -41.8 10.5 16.6 34.9 74 124 A I H < S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.2 3,-0.2 0.923 108.7 49.1 -57.3 -44.9 12.2 16.0 31.5 75 125 A Y H >< S+ 0 0 166 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.914 108.3 54.1 -61.0 -42.2 14.6 13.4 33.1 76 126 A T H 3< S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.826 101.0 60.6 -60.9 -33.1 11.6 11.7 34.7 77 127 A Q T 3< S- 0 0 34 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.551 98.0-139.8 -74.3 -8.8 9.9 11.4 31.3 78 128 A K < - 0 0 157 -3,-1.5 -3,-0.1 -4,-0.4 -58,-0.1 0.931 25.9-158.8 51.0 58.1 12.8 9.2 30.0 79 129 A P - 0 0 13 0, 0.0 -58,-0.2 0, 0.0 3,-0.1 -0.337 27.2-161.1 -70.4 147.7 12.9 10.9 26.5 80 130 A D S S+ 0 0 73 -60,-3.1 2,-0.3 1,-0.3 -59,-0.2 0.631 87.0 14.9 -90.3 -21.9 14.4 9.2 23.5 81 131 A L E -b 21 0B 1 -61,-1.7 -59,-2.4 18,-0.1 2,-0.5 -0.976 62.2-159.3-153.1 135.3 14.5 12.6 21.9 82 132 A I E -be 22 101B 0 18,-2.6 20,-2.5 -2,-0.3 2,-0.5 -0.982 11.9-167.5-112.8 124.2 14.2 16.2 23.0 83 133 A V E -be 23 102B 1 -61,-2.8 -59,-2.8 -2,-0.5 2,-0.3 -0.960 11.7-178.6-110.9 125.4 13.3 18.8 20.4 84 134 A I E -be 24 103B 0 18,-2.6 20,-3.2 -2,-0.5 -59,-0.2 -0.895 21.0-131.6-123.5 152.9 13.7 22.5 21.3 85 135 A G > - 0 0 6 -61,-1.1 3,-0.9 -2,-0.3 4,-0.2 -0.302 43.2 -91.4 -86.4-179.6 13.2 25.8 19.6 86 136 A P G > S+ 0 0 24 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.795 118.5 68.7 -68.6 -25.2 15.7 28.6 19.5 87 137 A R G 3 S+ 0 0 39 1,-0.3 3,-0.3 2,-0.1 -62,-0.1 0.825 105.6 40.0 -62.2 -30.7 14.3 30.3 22.7 88 138 A A G X S+ 0 0 1 -3,-0.9 3,-2.2 1,-0.2 -1,-0.3 0.316 83.5 109.2 -98.0 7.0 15.5 27.4 24.9 89 139 A S G X + 0 0 24 -3,-1.4 3,-1.7 1,-0.3 4,-0.3 0.725 63.7 68.2 -67.0 -22.1 18.8 26.9 23.1 90 140 A K G 3 S+ 0 0 166 -3,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.721 100.8 53.4 -65.7 -16.3 21.0 28.3 25.9 91 141 A S G <> S+ 0 0 17 -3,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.336 77.3 104.2 -98.6 4.9 20.0 25.1 27.7 92 142 A Y H <> S+ 0 0 29 -3,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.865 74.8 55.1 -53.8 -43.6 21.0 22.8 25.0 93 143 A D H > S+ 0 0 97 -3,-0.3 4,-0.6 -4,-0.3 -1,-0.2 0.919 112.0 44.2 -62.0 -41.3 24.2 21.6 26.7 94 144 A E H >> S+ 0 0 82 -3,-0.2 3,-0.7 1,-0.2 4,-0.6 0.900 114.9 47.6 -68.0 -42.7 22.3 20.5 29.8 95 145 A L H >X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-1.2 0.870 102.2 64.6 -67.1 -34.2 19.5 18.9 27.8 96 146 A S H 3< S+ 0 0 51 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.758 96.0 59.0 -65.0 -20.9 22.0 17.0 25.6 97 147 A K H << S+ 0 0 149 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.833 105.7 48.5 -70.8 -32.0 23.1 15.1 28.7 98 148 A I H << S- 0 0 46 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.884 129.6 -30.3 -80.6 -41.3 19.6 13.7 29.3 99 149 A A S < S- 0 0 10 -4,-1.7 -1,-0.3 -17,-0.0 -18,-0.1 -0.968 85.8 -58.7-167.5 161.9 18.9 12.5 25.8 100 150 A P - 0 0 44 0, 0.0 -18,-2.6 0, 0.0 2,-0.4 -0.301 60.1-163.9 -50.2 130.4 19.7 13.3 22.2 101 151 A T E -e 82 0B 1 -20,-0.2 2,-0.4 -5,-0.1 -18,-0.2 -0.951 11.5-168.3-126.4 138.4 18.5 16.8 21.6 102 152 A I E -e 83 0B 8 -20,-2.5 -18,-2.6 -2,-0.4 2,-0.4 -0.988 17.6-134.6-127.3 140.1 17.9 18.7 18.4 103 153 A V E -e 84 0B 1 -2,-0.4 2,-0.6 -20,-0.2 -95,-0.4 -0.791 13.9-160.0 -92.9 134.0 17.3 22.4 17.8 104 154 A F + 0 0 3 -20,-3.2 2,-0.3 -2,-0.4 -76,-0.2 -0.949 38.0 125.7-116.8 107.7 14.4 23.2 15.5 105 155 A A - 0 0 0 -2,-0.6 2,-0.2 -20,-0.2 -97,-0.1 -0.998 55.3-108.1-163.5 155.5 14.9 26.8 14.2 106 156 A A - 0 0 17 -2,-0.3 2,-0.5 70,-0.0 6,-0.1 -0.553 28.4-139.7 -84.9 156.0 15.1 29.1 11.2 107 157 A E > - 0 0 38 4,-0.4 4,-1.6 -2,-0.2 8,-0.3 -0.978 3.5-155.8-121.7 124.5 18.4 30.8 10.2 108 158 A A T 4 S+ 0 0 28 -2,-0.5 67,-0.2 2,-0.2 4,-0.2 0.880 91.1 55.8 -64.9 -39.7 18.5 34.4 9.1 109 159 A D T 4 S+ 0 0 123 1,-0.2 -1,-0.2 65,-0.1 3,-0.1 0.959 117.2 32.0 -62.2 -51.2 21.7 34.1 7.0 110 160 A Q T 4 S- 0 0 107 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.730 123.4-107.7 -78.7 -18.5 20.5 31.3 4.7 111 161 A G X - 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0 0 0 -2,-0.3 3,-1.0 20,-0.2 5,-0.3 -0.271 45.1 -61.5-117.9-156.5 15.3 43.7 7.9 173 223 A A T 3 S+ 0 0 17 1,-0.3 9,-0.2 -2,-0.1 8,-0.1 0.748 125.9 52.4 -65.5 -28.1 16.5 40.9 5.5 174 224 A N T 3 S+ 0 0 89 19,-0.2 -1,-0.3 3,-0.1 2,-0.2 -0.200 98.4 86.9-104.0 43.2 19.1 39.5 7.9 175 225 A S S X S- 0 0 8 -3,-1.0 3,-1.9 -67,-0.2 4,-0.1 -0.642 101.5 -80.5-128.2-178.8 16.8 39.1 10.8 176 226 A R T 3 S+ 0 0 94 21,-0.3 3,-0.3 1,-0.3 -3,-0.1 0.702 130.4 56.9 -59.6 -19.0 14.3 36.6 12.2 177 227 A F T > + 0 0 1 -5,-0.3 3,-1.5 1,-0.2 4,-0.5 -0.020 65.6 128.3-102.6 30.3 11.9 38.0 9.6 178 228 A S T X>> + 0 0 2 -3,-1.9 4,-3.0 1,-0.3 3,-1.2 0.800 57.6 76.8 -52.5 -31.1 14.2 37.3 6.7 179 229 A S H 3>>S+ 0 0 1 -3,-0.3 5,-2.8 1,-0.3 4,-1.4 0.849 85.4 61.4 -48.9 -42.0 11.3 35.5 5.0 180 230 A V H <45S+ 0 0 0 -3,-1.5 6,-2.0 3,-0.2 -1,-0.3 0.868 120.9 20.8 -53.8 -41.3 9.7 38.9 4.0 181 231 A Y H <45S+ 0 0 20 -3,-1.2 4,-0.3 -4,-0.5 -2,-0.2 0.856 130.1 39.1-100.6 -44.7 12.7 39.8 1.9 182 232 A K H <5S+ 0 0 69 -4,-3.0 -3,-0.2 -9,-0.2 -2,-0.1 0.782 131.3 20.4 -82.7 -29.5 14.6 36.7 1.0 183 233 A D T < - 0 0 48 1,-0.1 3,-1.9 4,-0.0 -22,-0.0 -0.974 32.8-100.4-147.2 154.7 20.8 42.7 16.0 197 247 A S T 3 S+ 0 0 107 -2,-0.3 -21,-0.3 1,-0.3 -1,-0.1 0.846 117.4 38.4 -37.5 -56.6 18.7 40.0 17.6 198 248 A H T 3 S- 0 0 141 1,-0.3 -1,-0.3 -23,-0.1 -23,-0.0 0.181 109.1-117.3 -94.5 15.6 15.9 42.3 19.0 199 249 A G < - 0 0 6 -3,-1.9 2,-0.4 -30,-0.1 -1,-0.3 -0.139 35.9 -65.5 81.3-178.4 15.6 44.8 16.1 200 250 A D E -J 170 0D 70 -30,-2.2 -30,-2.3 -4,-0.0 2,-0.2 -0.937 48.0-112.5-115.8 137.1 16.2 48.5 15.9 201 251 A L E +J 169 0D 129 -2,-0.4 -32,-0.3 -32,-0.2 2,-0.2 -0.461 46.1 159.5 -71.7 130.4 14.2 51.1 17.8 202 252 A I - 0 0 21 -34,-2.8 -34,-0.5 -2,-0.2 2,-0.3 -0.450 22.8-142.1-128.3-156.9 12.0 53.4 15.6 203 253 A S > - 0 0 45 -2,-0.2 4,-1.6 -36,-0.1 5,-0.1 -0.938 37.2 -93.3-161.0 172.6 8.9 55.6 16.0 204 254 A F H > S+ 0 0 54 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.848 124.7 58.6 -67.2 -31.6 5.8 56.7 14.1 205 255 A E H > S+ 0 0 111 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.895 104.6 50.7 -62.1 -39.6 7.8 59.6 12.8 206 256 A Y H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.889 110.3 49.1 -64.3 -41.5 10.3 57.1 11.3 207 257 A I H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.943 116.6 41.9 -63.7 -47.4 7.4 55.2 9.6 208 258 A R H < S+ 0 0 98 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.920 114.9 50.1 -65.3 -45.7 5.9 58.4 8.2 209 259 A E H < S+ 0 0 125 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.921 116.1 40.8 -61.6 -45.5 9.2 59.9 7.2 210 260 A H H < S- 0 0 72 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.719 93.7-156.4 -79.7 -21.7 10.4 56.8 5.3 211 261 A N < - 0 0 40 -4,-1.6 -3,-0.1 -5,-0.2 -4,-0.1 0.921 7.7-150.6 50.5 68.6 6.9 56.2 3.9 212 262 A P - 0 0 0 0, 0.0 33,-1.2 0, 0.0 32,-0.2 -0.363 13.3-140.8 -68.0 148.8 6.9 52.4 3.1 213 263 A K S S+ 0 0 74 1,-0.3 2,-0.4 31,-0.2 37,-0.2 0.815 94.2 27.4 -75.8 -33.0 4.8 51.1 0.2 214 264 A T E S-h 158 0D 11 -57,-0.7 -55,-2.4 35,-0.0 2,-0.5 -0.997 72.7-161.5-130.7 136.7 3.9 48.1 2.3 215 265 A L E -hk 159 251D 0 35,-2.4 37,-2.9 -2,-0.4 2,-0.6 -0.965 2.1-167.7-124.3 116.4 3.8 48.0 6.1 216 266 A L E -hk 160 252D 0 -57,-2.9 -55,-3.1 -2,-0.5 2,-0.5 -0.912 12.1-162.8-106.9 121.5 3.9 44.6 7.9 217 267 A V E -hk 161 253D 0 35,-3.2 37,-1.8 -2,-0.6 2,-0.6 -0.892 12.2-164.1-115.7 131.4 3.0 44.9 11.6 218 268 A V E -h 162 0D 0 -57,-2.7 -55,-2.8 -2,-0.5 2,-1.3 -0.950 9.0-156.1-113.2 113.2 3.7 42.3 14.3 219 269 A D E > -h 163 0D 5 -2,-0.6 3,-1.4 35,-0.5 4,-0.4 -0.690 13.6-180.0 -90.3 87.3 1.7 42.9 17.5 220 270 A R T >> S+ 0 0 72 -57,-1.6 3,-1.3 -2,-1.3 4,-0.6 0.842 75.0 65.4 -60.3 -32.0 3.9 41.2 20.0 221 271 A D H >> S+ 0 0 44 -58,-0.8 4,-3.0 1,-0.3 3,-0.8 0.791 83.1 77.3 -63.9 -25.6 1.5 42.0 22.9 222 272 A K H <4 S+ 0 0 60 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.851 106.9 30.1 -51.0 -38.9 -1.2 39.8 21.4 223 273 A V H <4 S+ 0 0 22 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.477 127.5 41.9-102.4 -4.6 0.6 36.7 22.6 224 274 A V H << S+ 0 0 79 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.2 0.748 97.3 75.6-110.9 -38.9 2.2 38.2 25.8 225 275 A T S < S- 0 0 68 -4,-3.0 0, 0.0 -5,-0.2 0, 0.0 -0.456 80.5-126.4 -74.6 150.2 -0.5 40.4 27.3 226 276 A K S S+ 0 0 189 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 0.811 96.6 65.8 -65.8 -30.4 -3.4 38.8 29.2 227 277 A G S S- 0 0 35 1,-0.1 -2,-0.1 -6,-0.1 -3,-0.1 -0.373 71.0-152.5 -83.4 170.2 -5.7 40.8 26.9 228 278 A E + 0 0 138 -2,-0.1 -6,-0.1 -4,-0.1 -1,-0.1 0.041 36.7 154.4-132.1 26.0 -6.0 40.2 23.2 229 279 A T - 0 0 109 1,-0.1 2,-0.6 -8,-0.1 3,-0.1 0.048 49.3 -95.0 -60.3 166.6 -7.1 43.7 22.0 230 280 A N >> - 0 0 90 1,-0.2 3,-0.7 -8,-0.0 4,-0.5 -0.748 21.5-163.8 -92.9 116.9 -6.5 45.0 18.5 231 281 A I H >> S+ 0 0 26 -2,-0.6 4,-3.8 1,-0.2 3,-1.2 0.825 82.6 78.5 -62.2 -32.3 -3.4 47.2 17.9 232 282 A R H 3> S+ 0 0 112 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.875 86.2 57.7 -46.4 -47.7 -4.9 48.4 14.7 233 283 A Q H <4 S+ 0 0 130 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.880 121.4 27.0 -51.9 -40.6 -7.2 50.8 16.5 234 284 A T H << S+ 0 0 92 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.825 116.1 59.6 -93.6 -35.5 -4.2 52.5 18.1 235 285 A F H < S+ 0 0 1 -4,-3.8 2,-2.1 1,-0.2 5,-0.2 0.862 91.8 71.8 -62.8 -37.4 -1.5 51.8 15.5 236 286 A E S < S+ 0 0 40 -4,-2.2 -1,-0.2 -5,-0.3 2,-0.1 -0.482 71.1 144.9 -85.5 71.7 -3.3 53.6 12.8 237 287 A N > - 0 0 47 -2,-2.1 4,-2.2 -3,-0.1 3,-0.2 -0.193 68.3 -76.5 -91.6-169.7 -2.9 57.2 14.0 238 288 A D H > S+ 0 0 146 1,-0.2 4,-1.3 2,-0.2 -2,-0.0 0.861 128.8 51.9 -59.7 -40.1 -2.4 60.4 12.0 239 289 A L H 4 S+ 0 0 56 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 0.868 112.7 45.0 -67.6 -37.0 1.3 59.7 11.2 240 290 A V H >4 S+ 0 0 0 -5,-0.2 3,-1.7 1,-0.2 6,-0.5 0.863 107.7 57.9 -74.7 -37.5 0.5 56.2 9.9 241 291 A K H 3< S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.823 97.8 62.2 -58.9 -33.6 -2.5 57.4 7.9 242 292 A A T 3< S+ 0 0 31 -4,-1.3 -1,-0.3 -5,-0.2 2,-0.2 0.381 89.0 103.5 -75.5 6.1 -0.2 59.9 6.0 243 293 A T S <> S- 0 0 0 -3,-1.7 4,-1.9 1,-0.1 5,-0.1 -0.595 77.6-130.2 -94.8 149.6 1.6 56.8 4.7 244 294 A T H > S+ 0 0 32 -2,-0.2 4,-2.9 1,-0.2 6,-0.2 0.879 108.4 60.3 -59.3 -39.7 1.5 55.3 1.2 245 295 A A H 4>S+ 0 0 0 -33,-1.2 5,-3.5 1,-0.2 6,-0.3 0.890 106.0 45.6 -58.3 -43.0 0.9 51.9 2.8 246 296 A Y H >45S+ 0 0 84 -6,-0.5 3,-1.3 3,-0.2 -1,-0.2 0.947 113.8 48.7 -64.6 -48.6 -2.3 53.0 4.5 247 297 A K H 3<5S+ 0 0 143 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.895 112.5 46.7 -60.8 -43.7 -3.6 54.7 1.4 248 298 A N T 3<5S- 0 0 94 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.469 115.0-118.1 -77.2 -0.8 -3.0 51.8 -0.9 249 299 A G T < 5S+ 0 0 59 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.850 74.6 132.9 66.2 35.2 -4.5 49.6 1.8 250 300 A H < + 0 0 74 -5,-3.5 -35,-2.4 -6,-0.2 2,-0.6 -0.165 21.1 118.2-115.0 38.2 -1.3 47.7 2.2 251 301 A I E -k 215 0D 23 -6,-0.3 2,-0.5 -5,-0.2 -35,-0.2 -0.940 46.1-168.1 -95.2 120.1 -0.9 47.6 6.0 252 302 A A E -k 216 0D 16 -37,-2.9 -35,-3.2 -2,-0.6 2,-1.0 -0.942 18.6-148.5-114.6 129.8 -0.9 44.0 7.0 253 303 A Y E -k 217 0D 60 -2,-0.5 -35,-0.2 -37,-0.2 3,-0.1 -0.811 27.7-143.4 -96.5 97.1 -1.2 42.8 10.6 254 304 A L - 0 0 1 -37,-1.8 -35,-0.5 -2,-1.0 2,-0.4 -0.234 23.8 -98.2 -66.0 145.6 0.8 39.5 10.6 255 305 A D > - 0 0 60 16,-0.2 4,-2.2 1,-0.2 5,-0.3 -0.465 33.9-152.0 -64.2 117.0 -0.3 36.5 12.6 256 306 A V H >>S+ 0 0 5 -2,-0.4 4,-2.3 1,-0.2 5,-1.3 0.912 90.2 49.6 -66.0 -42.1 1.8 36.8 15.7 257 307 A N H 4>S+ 0 0 14 3,-0.2 5,-3.4 1,-0.2 4,-0.5 0.948 113.7 46.2 -56.6 -49.0 1.9 33.1 16.5 258 308 A A H 45S+ 0 0 1 1,-0.2 6,-0.3 3,-0.2 7,-0.2 0.886 123.2 31.1 -65.5 -41.7 2.9 32.2 13.0 259 309 A W H <5S+ 0 0 12 -4,-2.2 -1,-0.2 4,-0.1 -2,-0.2 0.760 134.3 19.5 -89.7 -27.8 5.7 34.8 12.5 260 310 A Y T <5S+ 0 0 26 -4,-2.3 3,-0.3 -5,-0.3 -3,-0.2 0.776 128.6 29.4-116.3 -41.2 7.1 35.3 15.9 261 311 A I T - 0 0 0 -3,-2.4 4,-1.8 -7,-0.2 -1,-0.2 -0.267 49.9-128.7 -64.2 157.5 6.1 25.4 12.2 266 316 A V H > S+ 0 0 4 -239,-0.3 4,-2.3 2,-0.2 5,-0.2 0.971 112.0 37.5 -68.4 -56.0 4.2 23.7 9.4 267 317 A K H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.885 116.6 56.2 -62.6 -36.2 0.9 25.5 10.2 268 318 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 107.7 46.2 -60.7 -45.6 2.9 28.6 11.0 269 319 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.890 110.5 53.1 -68.7 -38.1 4.5 28.6 7.6 270 320 A E H X S+ 0 0 46 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.896 110.1 49.0 -61.6 -38.0 1.2 28.0 5.9 271 321 A Q H X S+ 0 0 76 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.872 106.6 55.0 -67.4 -40.0 -0.2 31.0 7.8 272 322 A M H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.925 109.4 48.5 -56.5 -46.4 2.8 33.2 6.8 273 323 A V H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.940 111.0 49.6 -58.0 -48.2 2.0 32.3 3.2 274 324 A A H X S+ 0 0 45 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.902 110.4 50.9 -58.1 -42.4 -1.7 33.2 3.7 275 325 A D H X S+ 0 0 25 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.909 111.1 47.4 -62.7 -42.9 -0.7 36.5 5.3 276 326 A M H < S+ 0 0 8 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.905 109.8 53.0 -67.3 -41.7 1.5 37.4 2.4 277 327 A K H < S+ 0 0 122 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.941 107.9 52.1 -54.7 -47.9 -1.2 36.5 -0.1 278 328 A A H < 0 0 87 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.876 360.0 360.0 -58.9 -40.7 -3.6 38.7 1.6 279 329 A S < 0 0 44 -4,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.920 360.0 360.0 -84.9 360.0 -1.2 41.7 1.5