==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 20-MAY-11 3S4U . COMPND 2 MOLECULE: PHND, SUBUNIT OF ALKYLPHOSPHONATE ABC TRANSPORTER . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.ALICEA,E.R.SCHREITER . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 11.3 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 . 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 . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.6 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 2 0 1 2 2 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 2 0 0 1 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 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 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 5 A K 0 0 202 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.4 -13.6 -40.2 22.8 2 6 A A - 0 0 60 31,-0.1 2,-0.4 33,-0.0 33,-0.2 -0.196 360.0-128.1 -74.0 173.1 -10.4 -41.3 20.9 3 7 A L E -a 35 0A 12 31,-2.0 33,-0.9 30,-0.0 2,-0.5 -0.979 13.4-157.5-141.1 136.5 -9.4 -39.8 17.5 4 8 A N E -a 36 0A 35 -2,-0.4 53,-1.2 31,-0.2 52,-1.1 -0.933 6.6-168.7-122.3 124.4 -8.4 -40.9 14.0 5 9 A F E -a 37 0A 2 31,-1.3 33,-3.7 -2,-0.5 2,-0.5 -0.705 17.6-133.8-101.8 154.3 -6.5 -38.9 11.4 6 10 A G E +a 38 0A 2 -2,-0.3 53,-2.3 31,-0.2 2,-0.3 -0.946 33.7 153.5-116.0 131.0 -6.2 -39.8 7.8 7 11 A I - 0 0 4 31,-2.0 33,-0.4 -2,-0.5 53,-0.1 -0.919 24.9-158.5-154.5 117.4 -2.8 -39.8 5.9 8 12 A I - 0 0 31 51,-0.3 32,-2.1 -2,-0.3 -1,-0.1 0.996 23.7-136.8 -75.6 -59.0 -2.3 -42.0 3.0 9 13 A S + 0 0 16 30,-0.2 3,-0.1 32,-0.1 4,-0.1 0.792 48.4 155.3 95.2 82.5 1.6 -42.4 2.5 10 14 A T S S+ 0 0 121 1,-0.1 2,-1.5 2,-0.1 3,-0.1 0.651 92.6 67.7 -77.9 -40.0 3.4 -42.3 -0.9 11 15 A E S S- 0 0 110 1,-0.2 5,-0.3 4,-0.1 -1,-0.1 -0.698 107.9-151.0 -69.8 93.0 5.9 -41.3 1.8 12 16 A S - 0 0 58 -2,-1.5 4,-0.5 3,-0.1 -1,-0.2 0.866 26.8 -58.6 -64.5-120.5 5.5 -45.0 2.8 13 17 A Q S S+ 0 0 115 2,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.708 131.8 44.1-105.0 -28.2 5.8 -46.8 6.2 14 18 A Q S S+ 0 0 184 3,-0.1 -3,-0.1 1,-0.1 -2,-0.0 0.971 115.5 46.0 -68.9 -72.6 9.4 -45.9 7.0 15 19 A N S S+ 0 0 76 -5,-0.1 2,-0.4 2,-0.1 4,-0.2 0.838 112.9 55.4 -32.3 -58.9 9.2 -42.1 5.9 16 20 A L S S+ 0 0 9 -4,-0.5 23,-0.0 -5,-0.3 -1,-0.0 -0.733 84.3 60.8 -95.8 137.6 5.9 -41.6 7.8 17 21 A K S >> S+ 0 0 121 -2,-0.4 4,-2.1 22,-0.0 3,-0.9 -0.545 102.7 49.3 146.9 -66.2 5.5 -42.4 11.6 18 22 A P T 34 S+ 0 0 72 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.510 104.2 59.6 -86.1 -5.3 8.1 -40.0 13.1 19 23 A Q T 34 S+ 0 0 46 -4,-0.2 4,-0.3 2,-0.1 -3,-0.1 0.677 116.6 33.1 -84.8 -18.0 6.9 -37.0 11.2 20 24 A W T <> S+ 0 0 8 -3,-0.9 4,-2.2 2,-0.2 3,-0.4 0.812 91.3 77.4-114.5 -40.9 3.5 -37.3 12.8 21 25 A T H X S+ 0 0 56 -4,-2.1 4,-3.4 1,-0.3 3,-0.2 0.910 97.2 57.2 -44.1 -49.0 3.5 -38.7 16.2 22 26 A P H > S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.941 106.8 47.0 -41.5 -56.5 4.6 -35.3 17.4 23 27 A F H > S+ 0 0 2 -3,-0.4 4,-1.8 -4,-0.3 -2,-0.2 0.811 114.6 47.7 -67.1 -29.7 1.5 -33.7 15.8 24 28 A L H X S+ 0 0 19 -4,-2.2 4,-4.9 -3,-0.2 -1,-0.3 0.915 107.9 55.4 -62.6 -49.0 -0.7 -36.3 17.4 25 29 A Q H X S+ 0 0 83 -4,-3.4 4,-0.7 2,-0.2 -2,-0.2 0.810 113.3 40.6 -62.3 -34.3 1.0 -35.9 20.8 26 30 A D H X S+ 0 0 24 -4,-2.2 4,-2.4 -5,-0.2 3,-0.4 0.903 115.1 52.8 -75.1 -44.9 0.2 -32.2 20.8 27 31 A M H X>S+ 0 0 3 -4,-1.8 4,-2.5 -5,-0.3 5,-0.6 0.969 108.5 49.5 -49.7 -56.3 -3.2 -32.9 19.3 28 32 A E H <>S+ 0 0 42 -4,-4.9 5,-0.6 3,-0.2 4,-0.3 0.756 113.6 49.6 -54.1 -29.1 -3.8 -35.5 22.1 29 33 A K H <5S+ 0 0 152 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.968 114.8 36.8 -75.4 -59.5 -2.8 -32.8 24.7 30 34 A K H <5S+ 0 0 94 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.932 130.3 35.6 -67.4 -45.1 -4.8 -29.8 23.7 31 35 A L T <5S- 0 0 11 -4,-2.5 -1,-0.3 -5,-0.4 -2,-0.2 0.864 96.0-151.5 -67.7 -35.1 -7.7 -32.0 22.8 32 36 A G T < + 0 0 51 -5,-0.6 2,-0.3 -4,-0.3 -3,-0.2 0.958 59.2 114.0 56.1 45.5 -6.8 -34.2 25.7 33 37 A V S > - 0 0 74 -34,-0.1 4,-1.1 -35,-0.1 3,-0.9 -0.910 67.0 -94.5 171.3 154.2 -5.2 -44.3 -0.9 43 47 A Y H 3> S+ 0 0 73 -2,-0.3 4,-3.6 1,-0.3 5,-0.3 0.701 112.8 72.2 -60.0 -20.6 -7.9 -41.8 -0.3 44 48 A A H 3> S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.909 102.5 38.5 -63.7 -49.4 -10.4 -44.5 -1.5 45 49 A G H <> S+ 0 0 41 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.754 117.2 56.1 -68.6 -25.7 -10.1 -46.5 1.7 46 50 A I H X S+ 0 0 3 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.950 104.8 46.0 -77.9 -53.6 -9.9 -43.2 3.7 47 51 A I H >X S+ 0 0 14 -4,-3.6 4,-3.4 1,-0.2 3,-1.3 0.957 111.2 57.0 -51.8 -45.5 -13.1 -41.6 2.6 48 52 A Q H 3X S+ 0 0 66 -4,-1.5 4,-0.6 -5,-0.3 6,-0.2 0.919 101.4 56.0 -55.3 -37.9 -14.6 -45.0 3.2 49 53 A G H 3<>S+ 0 0 8 -4,-1.4 6,-1.9 1,-0.2 5,-1.1 0.824 110.3 44.8 -62.3 -32.3 -13.3 -44.8 6.8 50 54 A M H X<5S+ 0 0 1 -4,-1.4 3,-3.6 -3,-1.3 -1,-0.2 0.951 102.4 64.0 -70.7 -53.6 -15.1 -41.5 7.2 51 55 A R H 3<5S+ 0 0 133 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.619 112.3 39.4 -46.5 -14.3 -18.2 -43.0 5.6 52 56 A F T 3<5S- 0 0 120 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.043 109.1-116.0-126.3 26.8 -18.2 -45.3 8.6 53 57 A N T < 5S+ 0 0 82 -3,-3.6 -3,-0.2 2,-0.2 -2,-0.1 0.460 86.4 118.6 56.7 -1.2 -17.2 -42.9 11.4 54 58 A K S > - 0 0 10 140,-0.2 4,-3.0 -2,-0.1 3,-0.8 -0.935 41.0-103.6-101.5 137.6 -6.4 -33.4 -1.6 62 66 A N H 3> S+ 0 0 13 -2,-0.4 4,-3.7 1,-0.3 5,-0.2 0.700 123.2 52.0 -32.1 -46.8 -9.3 -31.3 -3.0 63 67 A L H 3> S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.984 121.6 29.8 -51.9 -65.9 -10.1 -34.1 -5.4 64 68 A S H X> S+ 0 0 16 -3,-0.8 4,-2.1 1,-0.2 3,-0.6 0.970 119.6 59.8 -53.7 -54.7 -10.4 -36.7 -2.6 65 69 A A H 3X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.841 105.5 47.3 -37.4 -50.0 -11.4 -33.8 -0.4 66 70 A M H 3X S+ 0 0 6 -4,-3.7 4,-2.2 -5,-0.3 -1,-0.2 0.852 108.7 51.3 -70.4 -38.3 -14.5 -33.1 -2.7 67 71 A E H > - D 0 239B 37 -2,-0.4 3,-2.5 157,-0.3 4,-1.8 -0.285 22.0-127.9 -53.5 132.0 3.2 -24.5 2.6 83 87 A A T 34 S+ 0 0 32 155,-2.3 156,-0.2 1,-0.3 -1,-0.2 0.636 113.8 58.2 -55.4 -16.4 6.1 -24.2 5.2 84 88 A D T 34 S- 0 0 119 154,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.709 140.4 -72.3 -81.6 -23.5 7.7 -21.8 2.7 85 89 A G T <4 S- 0 0 41 -3,-2.5 -2,-0.2 156,-0.0 -3,-0.0 0.601 77.4-116.7 127.6 59.4 4.5 -19.8 3.0 86 90 A S < + 0 0 47 -4,-1.8 -5,-0.1 1,-0.1 -2,-0.1 0.161 53.0 93.0 76.6-179.9 1.4 -21.0 1.5 87 91 A P - 0 0 19 0, 0.0 113,-1.6 0, 0.0 2,-0.3 -0.921 61.4 -79.6-141.2 19.4 -1.1 -21.5 -0.2 88 92 A G E -E 199 0C 26 111,-0.4 2,-0.3 -2,-0.0 -6,-0.1 -0.905 60.5 -94.0 118.9-158.8 -1.8 -23.5 -3.3 89 93 A Y E -E 198 0C 45 109,-3.6 109,-3.1 -2,-0.3 2,-0.5 -0.991 17.1-127.5-154.2 160.1 -1.0 -21.8 -6.6 90 94 A W E -E 197 0C 69 -2,-0.3 82,-1.0 107,-0.2 107,-0.2 -0.947 25.1-129.6-109.2 131.9 -2.5 -19.7 -9.3 91 95 A S E - F 0 171C 0 105,-0.6 104,-2.2 -2,-0.5 2,-0.3 -0.348 35.2-170.1 -67.0 159.7 -2.3 -20.8 -12.9 92 96 A V E -EF 194 170C 1 78,-2.9 78,-2.6 33,-0.3 2,-0.4 -0.974 30.7-141.3-150.4 163.7 -1.0 -18.2 -15.4 93 97 A L E -EF 193 169C 3 100,-1.3 99,-2.6 -2,-0.3 100,-0.9 -0.996 30.4-164.8-124.9 136.5 -0.4 -16.9 -18.9 94 98 A I E -EF 191 168C 0 74,-2.7 74,-1.4 -2,-0.4 2,-0.3 -0.971 15.9-178.6-137.8 123.6 2.8 -15.0 -19.5 95 99 A V E -EF 190 167C 3 95,-2.2 95,-1.9 -2,-0.4 72,-0.1 -0.692 45.4 -85.8-105.0 166.9 4.2 -12.8 -22.2 96 100 A N E > -E 189 0C 11 70,-0.5 3,-1.4 -2,-0.3 5,-0.3 -0.315 35.3-118.9 -65.0 155.2 7.7 -11.2 -22.2 97 101 A K T 3 S+ 0 0 102 91,-3.0 92,-0.1 1,-0.3 -1,-0.1 0.865 115.7 59.3 -67.0 -36.3 8.0 -7.9 -20.4 98 102 A D T 3 S+ 0 0 121 90,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.355 88.3 108.9 -69.5 7.1 9.0 -6.1 -23.7 99 103 A S S < S- 0 0 33 -3,-1.4 2,-0.3 2,-0.1 -4,-0.1 -0.675 70.9-139.1 -84.6 137.3 5.6 -7.3 -25.1 100 104 A P S S+ 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.227 74.0 102.7 -85.5 46.9 2.8 -4.8 -25.7 101 105 A I + 0 0 14 -2,-0.3 -2,-0.1 -5,-0.3 -6,-0.1 -0.948 26.5 148.2-118.2 147.5 0.2 -7.2 -24.2 102 106 A N + 0 0 93 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.362 57.7 66.8-148.1 -25.3 -1.2 -6.9 -20.7 103 107 A N S > S- 0 0 80 1,-0.1 4,-1.8 90,-0.0 -1,-0.2 -0.772 72.1-134.2-100.7 153.3 -4.7 -8.3 -21.0 104 108 A L H > S+ 0 0 33 88,-0.4 4,-3.0 -2,-0.3 -1,-0.1 0.669 115.2 59.6 -60.1 -26.2 -6.1 -11.6 -21.6 105 109 A N H > S+ 0 0 107 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.926 100.8 50.0 -71.0 -49.2 -8.2 -9.5 -24.0 106 110 A D H >> S+ 0 0 46 2,-0.2 3,-1.7 1,-0.2 4,-1.6 0.974 117.3 41.8 -42.8 -73.0 -5.3 -8.2 -25.8 107 111 A L H 3< S+ 0 0 7 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.827 105.1 63.0 -40.3 -59.1 -4.1 -11.8 -26.2 108 112 A L H 3< S+ 0 0 33 -4,-3.0 3,-0.4 1,-0.2 -1,-0.3 0.833 114.8 35.5 -37.3 -45.5 -7.6 -13.2 -27.0 109 113 A A H X< S+ 0 0 66 -4,-1.9 2,-3.8 -3,-1.7 3,-0.9 0.977 112.7 52.1 -73.2 -69.9 -7.5 -11.0 -30.1 110 114 A K T 3< S+ 0 0 135 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.168 86.1 104.6 -64.7 33.9 -3.9 -11.0 -31.4 111 115 A R T > + 0 0 42 -2,-3.8 3,-2.7 -3,-0.4 35,-0.8 0.897 65.2 55.0 -90.2 -45.4 -4.1 -14.8 -31.2 112 116 A K T < S+ 0 0 145 -3,-0.9 34,-0.6 1,-0.3 -1,-0.2 0.844 112.1 53.2 -59.3 -25.4 -4.4 -16.0 -34.8 113 117 A D T 3 S+ 0 0 121 -4,-0.3 -1,-0.3 32,-0.1 2,-0.3 0.319 106.0 71.4 -89.7 6.7 -1.2 -13.9 -35.2 114 118 A L S < S- 0 0 30 -3,-2.7 33,-0.5 30,-0.2 2,-0.5 -0.842 70.5-120.7-136.1 169.3 0.7 -15.6 -32.3 115 119 A T E -g 147 0C 5 -2,-0.3 52,-1.6 31,-0.2 51,-0.7 -0.880 30.3-148.4-116.2 124.3 2.5 -18.7 -31.0 116 120 A F E -gh 148 167C 2 31,-2.0 33,-2.5 -2,-0.5 2,-0.6 -0.600 12.9-152.0-105.3 148.9 1.5 -20.5 -27.9 117 121 A G E -gh 149 168C 1 50,-1.4 52,-2.7 -2,-0.2 2,-0.3 -0.930 23.8-178.7-115.8 104.7 3.1 -22.6 -25.1 118 122 A N E -g 150 0C 5 31,-3.3 33,-2.3 -2,-0.6 9,-0.2 -0.843 19.2-123.0-109.1 144.1 0.8 -25.2 -23.6 119 123 A G - 0 0 4 7,-1.4 33,-0.2 -2,-0.3 4,-0.1 0.016 51.7 -50.2 -78.5 178.7 1.5 -27.6 -20.7 120 124 A D > - 0 0 85 31,-0.3 3,-1.7 1,-0.2 -1,-0.2 -0.201 48.8-133.9 -45.5 131.4 1.4 -31.3 -20.3 121 125 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.547 112.7 54.6 -75.7 -1.7 -1.9 -32.3 -21.7 122 126 A N T 3 S+ 0 0 147 5,-0.0 2,-0.4 6,-0.0 -2,-0.1 -0.279 90.3 99.8-108.6 45.8 -1.9 -34.4 -18.5 123 127 A S <>> - 0 0 31 -3,-1.7 5,-2.0 1,-0.1 4,-1.1 -0.999 54.7-161.6-123.7 130.1 -1.2 -31.3 -16.3 124 128 A T T 4>S+ 0 0 71 -2,-0.4 5,-4.4 3,-0.2 7,-0.2 0.926 92.0 37.4 -74.6 -45.4 -4.0 -29.6 -14.4 125 129 A S T 45S+ 0 0 15 3,-0.2 -33,-0.3 1,-0.2 45,-0.3 0.830 125.0 37.6 -81.6 -32.3 -2.2 -26.3 -13.7 126 130 A G T 45S+ 0 0 8 -6,-0.1 -7,-1.4 43,-0.1 -1,-0.2 0.744 137.1 7.0 -87.0 -24.1 -0.4 -26.0 -17.1 127 131 A F T X5S+ 0 0 61 -4,-1.1 4,-1.9 -9,-0.2 -3,-0.2 0.771 127.8 38.2-122.4 -54.2 -3.0 -27.3 -19.3 128 132 A L H >>>S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-1.2 0.947 107.1 68.8 -66.0 -39.5 -6.1 -22.7 -18.1 131 135 A G H 3<>S+ 0 0 13 -4,-1.9 5,-2.2 3,-0.2 -2,-0.2 0.697 112.5 29.7 -46.8 -30.7 -8.1 -24.9 -20.6 132 136 A Y H <<>S+ 0 0 5 -4,-1.2 5,-2.9 -3,-0.8 6,-0.3 0.876 124.5 39.9 -90.0 -66.0 -11.2 -24.0 -18.8 133 137 A Y H <5S+ 0 0 7 -4,-1.9 -2,-0.2 -5,-0.2 -4,-0.1 0.921 130.6 28.9 -60.4 -46.2 -10.8 -20.6 -17.3 134 138 A V T X5S+ 0 0 4 -4,-2.2 4,-0.7 -5,-0.4 -3,-0.2 0.994 136.7 14.0 -73.6 -63.3 -9.1 -19.2 -20.3 135 139 A F T >4XS+ 0 0 17 -5,-1.2 5,-1.4 2,-0.2 3,-0.7 0.951 122.7 46.5 -87.4 -57.7 -10.4 -21.2 -23.3 136 140 A A G >4 - 0 0 44 -2,-0.3 3,-0.7 -3,-0.1 -10,-0.0 -0.806 33.0-114.8-136.8 160.2 -9.0 -23.1 -28.5 142 146 A A G > S+ 0 0 33 -2,-0.3 3,-0.7 1,-0.2 -26,-0.1 0.673 113.0 71.5 -59.9 -23.2 -5.4 -24.1 -28.4 143 147 A S G 3 S+ 0 0 93 1,-0.2 2,-0.8 4,-0.0 -1,-0.2 0.915 81.7 70.4 -47.7 -48.1 -6.2 -24.5 -32.2 144 148 A D G < S+ 0 0 45 -3,-0.7 2,-0.5 3,-0.0 -1,-0.2 0.076 73.5 94.0 -90.1 28.3 -6.4 -20.9 -32.9 145 149 A F S < S- 0 0 6 -2,-0.8 -33,-0.2 -3,-0.7 -29,-0.1 -0.971 88.1-108.8-115.9 123.5 -2.9 -19.8 -32.5 146 150 A K S S- 0 0 137 -35,-0.8 2,-0.3 -34,-0.6 -31,-0.2 0.636 103.7 -14.0 4.6 -77.1 -0.6 -19.5 -35.5 147 151 A R E S-g 115 0C 148 -33,-0.5 -31,-2.0 -3,-0.1 2,-0.4 -0.964 72.9-156.2-136.0 147.3 1.3 -22.6 -34.1 148 152 A T E -g 116 0C 46 -2,-0.3 2,-0.4 -33,-0.2 -31,-0.2 -0.999 6.6-167.0-133.4 144.4 1.0 -24.1 -30.6 149 153 A V E -g 117 0C 67 -33,-2.5 -31,-3.3 -2,-0.4 2,-0.4 -0.958 12.0-141.6-132.0 137.1 3.4 -26.2 -28.6 150 154 A N E +g 118 0C 75 -2,-0.4 -31,-0.3 -33,-0.2 2,-0.3 -0.796 39.3 127.4-103.0 140.1 3.2 -28.2 -25.5 151 155 A A - 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C 0 74B 32 -150,-1.3 3,-1.3 -2,-0.2 -132,-0.2 -0.813 26.1-139.6 -93.4 131.5 -17.0 -35.7 9.3 207 211 A K T 3 S+ 0 0 101 -134,-1.0 -1,-0.1 -2,-0.4 7,-0.1 0.857 96.9 74.3 -56.1 -39.1 -20.0 -33.4 9.9 208 212 A N T 3 S+ 0 0 66 -135,-0.1 -1,-0.3 -3,-0.1 -134,-0.0 0.288 75.8 107.1 -64.7 14.1 -21.6 -36.0 12.0 209 213 A L S < S- 0 0 30 -3,-1.3 2,-0.3 1,-0.1 3,-0.1 -0.041 77.7 -85.4 -74.8-167.4 -19.1 -35.1 14.9 210 214 A S > - 0 0 41 1,-0.1 4,-2.7 0, 0.0 5,-0.4 -0.818 23.0-118.8-116.5 148.8 -20.2 -33.1 17.9 211 215 A E H > S+ 0 0 138 -2,-0.3 4,-2.2 1,-0.3 -1,-0.1 0.915 116.4 42.1 -43.2 -59.0 -20.5 -29.4 18.6 212 216 A T H > S+ 0 0 84 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.870 114.0 51.4 -60.9 -44.3 -18.0 -29.5 21.4 213 217 A T H >> S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 3,-0.7 0.935 110.0 47.3 -61.8 -53.6 -15.6 -31.9 19.6 214 218 A K H 3X S+ 0 0 51 -4,-2.7 4,-3.7 1,-0.2 5,-0.3 0.922 105.9 61.4 -51.2 -46.8 -15.4 -29.9 16.4 215 219 A D H 3X S+ 0 0 73 -4,-2.2 4,-1.9 -5,-0.4 -1,-0.2 0.836 109.3 41.9 -53.1 -36.2 -14.9 -26.7 18.5 216 220 A K H X S+ 0 0 12 -4,-3.6 4,-1.8 1,-0.2 3,-0.9 0.978 114.5 39.1 -50.0 -61.1 -6.5 -26.7 17.8 221 225 A F H 3< S+ 0 0 2 -4,-2.6 21,-0.5 1,-0.2 -1,-0.2 0.853 114.6 52.3 -58.7 -40.4 -5.9 -26.5 14.1 222 226 A M H 3< S+ 0 0 45 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.745 120.8 33.5 -71.3 -20.7 -6.5 -22.7 13.8 223 227 A N H X< S+ 0 0 61 -4,-1.9 3,-1.2 -3,-0.9 2,-0.4 0.448 86.0 112.0-114.7 -10.5 -4.0 -22.0 16.7 224 228 A Y T 3< S+ 0 0 2 -4,-1.8 18,-0.4 -5,-0.2 -4,-0.0 -0.602 72.5 40.3 -70.3 126.5 -1.3 -24.6 16.2 225 229 A G T 3 S+ 0 0 2 -2,-0.4 6,-0.4 16,-0.1 -1,-0.2 0.073 73.6 107.2 127.4 -19.7 1.9 -22.9 15.1 226 230 A K S < S+ 0 0 126 -3,-1.2 -2,-0.1 4,-0.1 3,-0.0 0.746 71.8 73.3 -63.8 -23.8 2.1 -19.7 17.1 227 231 A T S > S- 0 0 60 1,-0.1 4,-5.3 4,-0.0 5,-0.2 -0.764 85.8-127.1 -92.5 139.9 4.8 -21.2 19.2 228 232 A P H > S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.865 117.6 46.6 -38.3 -51.0 8.5 -21.8 18.1 229 233 A E H > S+ 0 0 147 2,-0.2 4,-2.0 3,-0.1 3,-0.4 0.999 117.4 41.4 -55.5 -70.8 8.0 -25.4 19.2 230 234 A E H >> S+ 0 0 25 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.896 115.2 53.3 -36.9 -62.6 4.6 -25.7 17.4 231 235 A K H >X S+ 0 0 102 -4,-5.3 4,-1.1 -6,-0.4 3,-0.6 0.879 109.5 46.3 -38.5 -57.0 6.0 -23.7 14.4 232 236 A A H 3X S+ 0 0 57 -4,-2.5 4,-1.0 -3,-0.4 -1,-0.2 0.774 107.0 59.2 -71.1 -26.8 9.0 -26.0 14.0 233 237 A V H << S+ 0 0 23 -4,-2.0 4,-0.3 -3,-0.7 -1,-0.2 0.826 100.9 53.1 -69.6 -33.3 6.8 -29.2 14.3 234 238 A L H X<>S+ 0 0 1 -4,-1.5 5,-2.1 -3,-0.6 3,-1.5 0.862 102.3 63.3 -65.0 -33.0 4.6 -28.3 11.3 235 239 A E H ><5S+ 0 0 92 -4,-1.1 3,-3.3 1,-0.3 -1,-0.2 0.877 87.4 64.8 -61.4 -47.3 7.7 -27.9 9.3 236 240 A R T 3<5S+ 0 0 168 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.663 108.9 44.3 -51.5 -21.6 8.7 -31.5 9.6 237 241 A L T < 5S- 0 0 18 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 -0.272 126.8-108.0-108.1 38.1 5.5 -32.0 7.6 238 242 A G T < 5S+ 0 0 43 -3,-3.3 -155,-2.3 1,-0.2 2,-0.4 0.733 74.7 139.1 45.1 36.0 6.5 -29.2 5.3 239 243 A W E < -D 82 0B 18 -5,-2.1 -157,-0.3 -157,-0.3 -1,-0.2 -0.883 46.1-163.2-120.2 146.5 3.9 -26.8 6.7 240 244 A A E -D 81 0B 13 -159,-3.9 -159,-0.7 -2,-0.4 -157,-0.2 -0.461 60.7 -61.5 -92.2 178.5 3.3 -23.4 7.8 241 245 A P E - 0 0 60 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.358 66.1 -93.3 -69.4 156.9 0.2 -22.8 9.9 242 246 A F E - 0 0 18 -21,-0.5 -162,-0.2 -18,-0.4 2,-0.2 -0.319 24.1-133.7 -81.5 141.8 -3.2 -23.5 8.6 243 247 A R E -D 79 0B 157 -164,-2.4 -164,-2.0 -2,-0.1 2,-0.4 -0.505 31.6-107.1 -83.2 150.5 -5.7 -21.3 6.8 244 248 A A E -D 78 0B 61 -166,-0.2 -166,-0.3 -2,-0.2 2,-0.2 -0.698 52.6-177.0 -73.6 130.6 -9.4 -21.3 7.9 245 249 A S - 0 0 29 -168,-2.2 2,-0.3 -2,-0.4 -166,-0.0 -0.704 25.7-171.6-130.5 176.2 -11.4 -23.1 5.2 246 250 A S > - 0 0 46 -2,-0.2 3,-2.4 -168,-0.0 -169,-0.2 -0.938 52.0 -87.9-150.3 173.6 -14.7 -24.3 3.8 247 251 A D G > S+ 0 0 54 -171,-0.4 3,-2.2 1,-0.3 4,-0.2 0.792 116.5 80.7 -54.2 -29.2 -16.1 -26.5 1.1 248 252 A L G > S+ 0 0 85 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.756 74.5 82.8 -48.0 -26.8 -15.9 -23.2 -1.0 249 253 A Q G < S+ 0 0 15 -3,-2.4 -1,-0.3 1,-0.2 4,-0.2 0.848 87.6 46.7 -34.3 -51.5 -12.3 -24.4 -1.2 250 254 A L G <> S+ 0 0 7 -3,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.174 71.4 109.7-103.7 16.1 -12.9 -26.7 -4.1 251 255 A V H <> S+ 0 0 9 -3,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.933 83.3 51.0 -54.5 -42.6 -15.0 -24.6 -6.4 252 256 A P H > S+ 0 0 8 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.975 114.5 43.0 -62.2 -46.0 -12.0 -24.5 -8.7 253 257 A I H > S+ 0 0 31 -4,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.755 110.7 56.1 -65.9 -26.5 -11.8 -28.3 -8.5 254 258 A R H X S+ 0 0 87 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.947 106.5 50.2 -68.6 -44.3 -15.5 -28.7 -8.8 255 259 A Q H X S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.835 111.4 49.4 -59.4 -37.2 -15.5 -26.7 -12.1 256 260 A L H >X S+ 0 0 9 -4,-1.4 4,-2.8 2,-0.2 3,-1.1 0.970 106.9 53.4 -66.2 -58.7 -12.7 -29.0 -13.4 257 261 A A H 3X S+ 0 0 41 -4,-2.2 4,-1.9 1,-0.3 -2,-0.2 0.894 116.8 40.4 -34.2 -54.0 -14.5 -32.2 -12.5 258 262 A L H 3X S+ 0 0 17 -4,-2.4 4,-1.1 2,-0.2 -1,-0.3 0.539 109.4 56.4 -93.4 -2.4 -17.5 -30.9 -14.4 259 263 A F H X S+ 0 0 11 -4,-1.1 4,-1.8 1,-0.2 3,-1.2 0.924 111.0 50.5 -52.8 -51.4 -18.9 -32.0 -19.9 263 267 A Q H 3X S+ 0 0 89 -4,-3.2 4,-1.0 1,-0.2 -2,-0.2 0.854 107.3 54.3 -58.3 -38.4 -16.0 -32.7 -22.3 264 268 A S H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.506 106.6 50.9 -77.2 -9.1 -16.7 -36.5 -22.0 265 269 A V H X4 S+ 0 0 10 -3,-1.2 3,-1.1 -4,-0.4 -2,-0.2 0.794 101.2 58.8 -92.4 -40.6 -20.4 -36.2 -23.0 266 270 A K H 3< S+ 0 0 129 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.875 116.3 39.0 -53.9 -32.3 -19.7 -34.2 -26.1 267 271 A D T 3< S+ 0 0 95 -4,-1.0 2,-0.7 -5,-0.2 -1,-0.3 0.500 81.6 128.4 -92.6 -4.9 -17.7 -37.3 -26.9 268 272 A N X - 0 0 65 -3,-1.1 3,-0.9 1,-0.1 -3,-0.1 -0.382 45.0-161.9 -59.8 105.3 -20.2 -39.9 -25.5 269 273 A K T 3 S+ 0 0 169 -2,-0.7 2,-1.5 1,-0.3 -1,-0.1 0.936 78.9 44.1 -58.8 -66.4 -20.5 -42.1 -28.5 270 274 A G T 3 S+ 0 0 80 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 -0.241 91.5 104.3 -84.5 48.1 -23.7 -44.1 -27.9 271 275 A L < - 0 0 42 -2,-1.5 2,-0.1 -3,-0.9 5,-0.0 -0.990 66.5-134.7-124.8 125.2 -25.6 -41.0 -26.8 272 276 A N > - 0 0 77 -2,-0.4 4,-1.5 1,-0.1 -2,-0.0 -0.429 23.5-117.7 -69.7 150.6 -28.2 -39.4 -29.0 273 277 A E H > S+ 0 0 133 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.827 111.3 61.2 -70.3 -32.0 -28.1 -35.6 -29.2 274 278 A Q H > S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.992 111.1 40.7 -50.4 -61.7 -31.5 -35.0 -27.8 275 279 A D H > S+ 0 0 73 2,-0.2 4,-1.0 1,-0.1 -2,-0.2 0.694 115.5 54.0 -67.8 -19.0 -30.3 -36.8 -24.6 276 280 A K H >X S+ 0 0 19 -4,-1.5 3,-2.3 2,-0.2 4,-0.8 0.947 98.7 58.2 -67.0 -82.4 -27.0 -34.9 -24.9 277 281 A L H 3X S+ 0 0 92 -4,-1.7 4,-2.4 1,-0.3 -2,-0.2 0.643 106.7 54.5 -7.4 -60.5 -28.5 -31.3 -25.2 278 282 A A H 3< S+ 0 0 40 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.898 114.8 34.3 -43.4 -59.4 -30.0 -32.1 -21.8 279 283 A K H XX S+ 0 0 116 -3,-2.3 3,-2.5 -4,-1.0 4,-2.2 0.972 118.7 50.1 -73.1 -54.4 -26.8 -33.1 -19.9 280 284 A T H 3X S+ 0 0 21 -4,-0.8 4,-1.7 1,-0.3 -2,-0.2 0.901 112.5 47.6 -45.4 -51.3 -24.4 -30.7 -21.6 281 285 A T H 3X S+ 0 0 78 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.3 0.485 112.4 52.3 -74.1 -3.1 -26.7 -27.8 -21.0 282 286 A A H <> S+ 0 0 43 -3,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.728 106.1 49.5-102.9 -37.7 -27.1 -29.0 -17.3 283 287 A I H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.838 110.2 54.0 -65.0 -34.6 -23.4 -29.2 -16.5 284 288 A Q H X S+ 0 0 73 -4,-1.7 4,-4.1 -5,-0.3 5,-0.3 0.943 100.2 59.8 -66.5 -53.2 -23.1 -25.7 -18.0 285 289 A A H X S+ 0 0 49 -4,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.893 108.8 45.6 -21.7 -63.0 -25.8 -24.6 -15.6 286 290 A Q H X S+ 0 0 101 -4,-1.3 4,-3.2 2,-0.2 -2,-0.2 0.949 113.6 46.1 -62.2 -55.1 -23.5 -25.7 -12.9 287 291 A L H X S+ 0 0 1 -4,-2.5 4,-4.0 1,-0.2 5,-0.2 0.963 112.3 52.3 -50.6 -56.9 -20.4 -24.1 -14.3 288 292 A D H X S+ 0 0 62 -4,-4.1 4,-1.7 1,-0.2 -1,-0.2 0.875 112.9 44.6 -48.9 -43.3 -22.3 -20.9 -14.9 289 293 A D H X S+ 0 0 107 -4,-2.3 4,-0.8 -5,-0.3 -1,-0.2 0.923 114.5 48.9 -67.4 -41.8 -23.5 -20.9 -11.3 290 294 A L H >X S+ 0 0 25 -4,-3.2 4,-2.2 1,-0.2 3,-0.6 0.877 107.6 56.1 -66.2 -38.1 -20.0 -21.7 -10.1 291 295 A D H 3X S+ 0 0 19 -4,-4.0 4,-2.4 1,-0.2 -1,-0.2 0.921 104.8 51.6 -53.9 -50.0 -18.6 -18.9 -12.3 292 296 A R H 3X S+ 0 0 132 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.689 108.4 53.1 -62.6 -23.5 -20.8 -16.4 -10.7 293 297 A L H X S+ 0 0 51 -4,-2.0 3,-1.5 1,-0.2 4,-0.8 0.953 114.9 47.1 -55.1 -53.9 -18.9 -13.0 -5.9 297 301 A L H >< S+ 0 0 60 -4,-3.7 3,-1.0 1,-0.3 -1,-0.2 0.895 114.7 45.2 -55.3 -47.0 -16.0 -14.4 -3.9 298 302 A S H 3< S+ 0 0 96 -4,-3.6 -1,-0.3 -5,-0.3 -2,-0.2 0.619 106.2 63.8 -70.3 -10.5 -13.4 -12.3 -5.8 299 303 A A H << S+ 0 0 72 -3,-1.5 2,-1.8 -4,-1.3 -1,-0.2 0.501 76.2 81.4 -96.9 -10.2 -15.7 -9.3 -5.5 300 304 A M S << S+ 0 0 130 -3,-1.0 -1,-0.1 -4,-0.8 -4,-0.0 -0.852 72.8 161.2 -80.9 86.0 -15.3 -9.3 -1.8 301 305 A S 0 0 96 -2,-1.8 -1,-0.3 1,-0.0 -2,-0.0 0.915 360.0 360.0 -41.0 -78.1 -12.2 -7.5 -3.1 302 306 A S 0 0 148 -3,-0.2 -3,-0.0 0, 0.0 -2,-0.0 0.089 360.0 360.0-175.1 360.0 -11.6 -6.2 -0.3