==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 18-MAY-06 2H25 . COMPND 2 MOLECULE: MALTOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.XU,Z.LIN,Y.ZHENG,D.YANG . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 9.7 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 0.8 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 . 19 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 0 2 0 2 2 3 0 3 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 K 0 0 186 0, 0.0 54,-0.2 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 150.6 -23.7 -17.6 -11.3 2 2 A T - 0 0 26 52,-0.6 2,-0.2 54,-0.3 54,-0.1 -0.319 360.0-141.1 -80.4 166.4 -24.4 -15.8 -8.1 3 3 A E - 0 0 156 1,-0.1 3,-0.3 -2,-0.1 2,-0.1 -0.650 18.2 -97.1-121.0 178.2 -27.8 -15.3 -6.5 4 4 A E S S+ 0 0 161 -2,-0.2 3,-0.1 1,-0.2 268,-0.1 -0.448 94.2 45.4 -93.0 168.7 -29.8 -12.6 -4.7 5 5 A G S S+ 0 0 43 1,-0.3 29,-1.2 -2,-0.1 2,-0.3 0.864 101.4 81.6 67.8 36.4 -30.2 -12.2 -0.9 6 6 A K E -a 34 0A 34 -3,-0.3 2,-0.4 265,-0.3 -1,-0.3 -0.968 65.4-134.2-159.8 170.3 -26.6 -12.9 -0.2 7 7 A L E -a 35 0A 0 27,-1.4 29,-2.4 -2,-0.3 2,-0.6 -0.978 9.6-166.4-140.4 124.5 -23.1 -11.3 -0.1 8 8 A V E -a 36 0A 15 -2,-0.4 51,-1.9 27,-0.2 50,-1.1 -0.909 7.5-169.9-114.9 107.0 -19.9 -12.8 -1.5 9 9 A I E -ab 37 59A 5 27,-2.4 29,-1.1 -2,-0.6 2,-0.4 -0.849 11.3-148.5 -99.3 121.2 -16.7 -11.1 -0.3 10 10 A W E -a 38 0A 38 49,-1.6 2,-0.3 -2,-0.6 51,-0.2 -0.732 17.4-174.4 -91.2 133.7 -13.5 -12.1 -2.1 11 11 A I - 0 0 22 27,-2.9 5,-0.1 -2,-0.4 6,-0.0 -0.862 34.2-126.2-125.0 159.6 -10.2 -12.0 -0.2 12 12 A N - 0 0 87 -2,-0.3 27,-0.1 3,-0.1 5,-0.0 -0.041 54.6-106.7 -93.5 31.7 -6.5 -12.6 -1.1 13 13 A G S S+ 0 0 28 25,-0.2 3,-0.1 2,-0.1 26,-0.1 0.833 109.9 67.2 47.5 37.8 -6.1 -15.2 1.6 14 14 A D S S+ 0 0 78 1,-0.1 -1,-0.1 283,-0.0 219,-0.1 0.003 79.9 67.7-178.6 53.8 -4.1 -12.7 3.6 15 15 A K S S- 0 0 46 215,-0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.235 119.0 -41.5-179.8 78.8 -6.2 -9.8 4.9 16 16 A G S > S+ 0 0 2 280,-0.1 4,-1.1 277,-0.1 281,-0.1 0.937 79.7 150.2 58.5 49.8 -8.9 -10.4 7.5 17 17 A Y H > S+ 0 0 103 2,-0.2 4,-0.5 3,-0.1 -1,-0.1 0.864 77.3 32.6 -79.0 -38.8 -10.1 -13.6 5.8 18 18 A N H > S+ 0 0 97 2,-0.2 4,-0.7 1,-0.1 -1,-0.1 0.789 118.5 54.1 -86.9 -31.7 -11.3 -15.2 9.1 19 19 A G H >> S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.870 103.0 55.9 -70.6 -37.4 -12.3 -11.9 10.7 20 20 A L H 3X S+ 0 0 16 -4,-1.1 4,-1.2 1,-0.2 3,-0.2 0.827 98.9 62.7 -63.7 -32.2 -14.6 -10.9 7.9 21 21 A A H 3X S+ 0 0 43 -4,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.819 96.1 60.1 -62.7 -31.2 -16.5 -14.2 8.3 22 22 A E H X>S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 5,-1.1 0.937 107.2 47.8 -57.3 -50.1 -25.6 -9.9 9.5 28 28 A E H 3<5S+ 0 0 88 -4,-2.0 -1,-0.2 4,-0.3 -2,-0.2 0.873 110.5 52.6 -59.6 -38.4 -27.7 -13.0 9.0 29 29 A K H 3<5S+ 0 0 154 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.760 113.5 44.4 -69.1 -25.1 -28.7 -12.9 12.7 30 30 A D H <<5S- 0 0 74 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.792 147.0 -13.7 -88.4 -32.5 -29.7 -9.3 12.2 31 31 A T T <5S- 0 0 98 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.536 90.9-106.6-136.7 -44.1 -31.6 -9.8 9.0 32 32 A G < + 0 0 49 -5,-1.1 2,-0.5 1,-0.2 -4,-0.3 0.596 59.1 153.2 116.7 20.6 -30.8 -13.2 7.5 33 33 A I - 0 0 29 -6,-0.4 -5,-0.3 -9,-0.1 -1,-0.2 -0.703 43.8-122.2 -85.8 126.7 -28.5 -12.3 4.6 34 34 A K E -a 6 0A 131 -29,-1.2 -27,-1.4 -2,-0.5 2,-0.3 -0.303 24.7-165.8 -65.4 148.7 -26.0 -14.9 3.6 35 35 A V E +a 7 0A 27 -29,-0.2 2,-0.3 -14,-0.1 -27,-0.2 -0.857 9.3 176.0-143.4 104.4 -22.3 -14.0 3.6 36 36 A T E -a 8 0A 46 -29,-2.4 -27,-2.4 -2,-0.3 2,-0.4 -0.806 11.3-159.2-109.5 150.6 -19.7 -16.2 2.0 37 37 A V E +a 9 0A 32 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.992 10.7 179.2-133.2 127.8 -15.9 -15.5 1.6 38 38 A E E -a 10 0A 107 -29,-1.1 -27,-2.9 -2,-0.4 -25,-0.2 -0.899 18.4-161.5-126.3 155.6 -13.6 -17.0 -1.0 39 39 A H + 0 0 117 -2,-0.3 -27,-0.1 -29,-0.2 -29,-0.1 -0.557 23.4 176.3-136.0 70.2 -9.9 -16.6 -1.7 40 40 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 3,-0.4 -0.116 29.1-110.8 -68.8 170.3 -9.2 -18.0 -5.3 41 41 A D S S+ 0 0 137 1,-0.2 5,-0.0 2,-0.1 -29,-0.0 -0.853 92.4 7.6-108.3 141.4 -5.8 -17.8 -7.0 42 42 A K S > S+ 0 0 164 -2,-0.4 4,-1.0 1,-0.1 3,-0.5 0.836 77.7 147.4 61.0 32.9 -5.0 -15.6 -10.0 43 43 A L H > + 0 0 6 -3,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.457 44.4 92.5 -77.3 -0.8 -8.4 -14.0 -9.6 44 44 A E H 4 S+ 0 0 89 2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.965 104.2 16.6 -57.0 -57.1 -6.9 -10.7 -10.9 45 45 A E H > S+ 0 0 156 -3,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.729 124.4 60.9 -88.4 -25.6 -7.8 -11.4 -14.5 46 46 A K H X S+ 0 0 100 -4,-1.0 4,-1.1 1,-0.2 -2,-0.2 0.690 99.3 59.7 -74.0 -19.0 -10.3 -14.1 -13.7 47 47 A F H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 3,-0.3 0.967 108.2 38.5 -74.1 -56.3 -12.3 -11.5 -11.7 48 48 A P H > S+ 0 0 19 0, 0.0 4,-1.0 0, 0.0 -2,-0.2 0.750 109.9 64.7 -67.0 -23.9 -13.1 -8.9 -14.5 49 49 A Q H < S+ 0 0 125 -4,-1.1 4,-0.2 1,-0.2 -2,-0.2 0.927 115.6 26.7 -65.1 -46.0 -13.6 -11.7 -17.0 50 50 A V H >X>S+ 0 0 40 -4,-1.1 4,-2.2 -3,-0.3 3,-1.6 0.761 110.2 71.6 -87.1 -29.0 -16.7 -13.1 -15.2 51 51 A A H 3<5S+ 0 0 2 -4,-2.3 218,-0.4 1,-0.3 -2,-0.2 0.802 86.5 68.3 -56.9 -29.6 -17.6 -9.8 -13.6 52 52 A A T 3<5S+ 0 0 62 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.836 111.1 32.1 -59.6 -33.4 -18.7 -8.7 -17.1 53 53 A T T <45S- 0 0 93 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.757 107.3-125.3 -93.9 -30.8 -21.5 -11.2 -17.0 54 54 A G T <5S+ 0 0 11 -4,-2.2 -52,-0.6 215,-0.1 -3,-0.2 0.735 77.2 115.2 90.7 25.6 -22.1 -11.0 -13.2 55 55 A D < + 0 0 71 -5,-1.2 -4,-0.1 -54,-0.2 -53,-0.1 0.772 63.8 63.9 -94.4 -33.0 -21.8 -14.7 -12.6 56 56 A G S S- 0 0 22 -6,-0.4 -54,-0.3 -9,-0.2 -9,-0.1 0.475 106.2 -37.2 -67.3-143.9 -18.6 -14.6 -10.4 57 57 A P - 0 0 9 0, 0.0 -55,-0.2 0, 0.0 -48,-0.1 0.167 45.0-140.6 -68.1-167.8 -18.5 -12.8 -7.0 58 58 A D S S+ 0 0 1 -50,-1.1 209,-1.0 1,-0.4 2,-0.4 0.652 78.1 39.5-123.7 -51.9 -20.2 -9.6 -6.0 59 59 A I E -bC 9 266A 1 -51,-1.9 -49,-1.6 207,-0.2 -1,-0.4 -0.879 65.3-171.2-109.8 138.5 -17.9 -7.5 -3.9 60 60 A I E - C 0 265A 1 205,-1.6 205,-3.3 -2,-0.4 2,-0.4 -0.867 10.6-150.6-125.8 159.7 -14.2 -7.1 -4.4 61 61 A F E + C 0 264A 28 -2,-0.3 2,-0.3 -51,-0.2 203,-0.2 -0.989 32.7 129.0-135.1 125.6 -11.3 -5.6 -2.5 62 62 A W E - C 0 263A 40 201,-1.1 201,-1.5 -2,-0.4 2,-0.0 -0.950 55.0 -68.6-160.3 176.0 -8.1 -4.1 -4.0 63 63 A A E > - C 0 262A 30 -2,-0.3 4,-2.3 199,-0.2 3,-0.2 -0.332 44.4-113.2 -73.5 157.0 -5.8 -1.0 -4.0 64 64 A H H > S+ 0 0 0 197,-0.6 4,-0.7 1,-0.2 -1,-0.1 0.839 116.7 59.7 -58.0 -34.1 -6.9 2.3 -5.4 65 65 A D H >4 S+ 0 0 32 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.935 111.9 36.7 -60.6 -48.8 -4.3 1.9 -8.1 66 66 A R H >> S+ 0 0 97 1,-0.2 3,-1.4 -3,-0.2 4,-0.5 0.783 103.2 73.8 -74.9 -27.9 -5.9 -1.3 -9.4 67 67 A F H 3X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.3 3,-0.3 0.739 89.0 63.2 -57.7 -22.4 -9.4 -0.0 -8.7 68 68 A G H << S+ 0 0 6 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.1 -0.057 90.9 68.2 -94.6 33.7 -8.9 2.2 -11.8 69 69 A G H <> S+ 0 0 24 -3,-1.4 4,-0.5 3,-0.1 -1,-0.2 0.666 99.0 40.9-118.4 -32.5 -8.6 -0.8 -14.1 70 70 A Y H X>S+ 0 0 12 -4,-0.5 5,-2.3 -3,-0.3 4,-0.9 0.747 116.6 49.5 -88.4 -27.5 -12.0 -2.3 -14.2 71 71 A A H <5S+ 0 0 28 -4,-0.7 5,-0.2 3,-0.2 -1,-0.1 0.798 101.0 63.8 -80.3 -30.7 -13.9 1.0 -14.3 72 72 A Q H 45S+ 0 0 97 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.859 112.7 35.3 -61.1 -36.4 -11.7 2.4 -17.1 73 73 A S H <5S- 0 0 95 -4,-0.5 -1,-0.2 0, 0.0 -2,-0.2 0.700 124.2-102.6 -89.8 -23.1 -13.1 -0.4 -19.4 74 74 A G T <5S+ 0 0 56 -4,-0.9 -3,-0.2 3,-0.0 -2,-0.1 0.874 81.0 122.6 99.7 59.2 -16.6 -0.3 -17.8 75 75 A L < + 0 0 45 -5,-2.3 2,-0.3 2,-0.1 -4,-0.2 -0.047 54.9 79.0-138.3 31.7 -16.8 -3.3 -15.5 76 76 A L S S- 0 0 14 191,-0.2 191,-0.3 -6,-0.2 2,-0.3 -0.934 71.9-114.4-138.9 161.4 -17.7 -1.7 -12.2 77 77 A A - 0 0 5 189,-3.7 189,-0.3 -2,-0.3 191,-0.1 -0.684 27.8-125.3 -97.8 151.2 -20.7 -0.3 -10.4 78 78 A E - 0 0 85 -2,-0.3 2,-0.3 190,-0.1 26,-0.2 0.092 23.3-146.3 -77.1-165.4 -21.2 3.4 -9.4 79 79 A I - 0 0 20 24,-0.6 24,-0.1 26,-0.0 -1,-0.1 -0.961 16.1-156.0-157.6 171.1 -21.9 4.7 -6.0 80 80 A T - 0 0 106 -2,-0.3 24,-0.0 24,-0.0 -2,-0.0 -0.476 20.1-174.0-158.1 77.4 -23.8 7.5 -4.1 81 81 A P - 0 0 23 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.277 17.2-130.1 -72.5 160.2 -22.4 8.3 -0.6 82 82 A D > - 0 0 122 1,-0.0 4,-2.9 -2,-0.0 5,-0.3 -0.366 34.0 -88.4-101.3-176.9 -24.1 10.7 1.8 83 83 A K H > S+ 0 0 190 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.880 130.9 47.1 -59.9 -38.9 -22.8 13.7 3.8 84 84 A A H > S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.786 113.7 48.6 -73.2 -28.0 -22.0 11.3 6.7 85 85 A F H > S+ 0 0 7 2,-0.2 4,-0.9 1,-0.1 -2,-0.2 0.856 117.2 39.8 -79.2 -37.7 -20.3 8.9 4.3 86 86 A Q H < S+ 0 0 93 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.748 117.7 49.9 -82.1 -26.0 -18.2 11.6 2.6 87 87 A D H < S+ 0 0 108 -4,-1.8 -2,-0.2 -5,-0.3 -3,-0.2 0.879 104.3 56.6 -79.2 -40.8 -17.5 13.4 5.8 88 88 A K H < S+ 0 0 29 -4,-1.5 217,-2.7 -5,-0.2 -2,-0.2 0.879 103.7 65.2 -58.4 -39.5 -16.3 10.2 7.7 89 89 A L S < S- 0 0 2 -4,-0.9 215,-0.1 215,-0.2 19,-0.1 -0.401 94.1-104.6 -83.0 162.1 -13.7 9.6 5.1 90 90 A Y > - 0 0 48 213,-0.1 4,-1.3 1,-0.1 -1,-0.1 -0.605 20.2-126.1 -88.3 147.6 -10.7 11.8 4.4 91 91 A P H >> S+ 0 0 94 0, 0.0 4,-1.1 0, 0.0 3,-0.9 0.946 109.8 49.5 -54.2 -55.7 -10.6 14.1 1.3 92 92 A F H >> S+ 0 0 57 1,-0.3 4,-0.7 2,-0.2 3,-0.5 0.860 105.7 58.1 -54.1 -39.6 -7.3 12.8 0.0 93 93 A T H >> S+ 0 0 3 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.841 101.4 56.5 -61.4 -33.0 -8.5 9.3 0.3 94 94 A W H X< S+ 0 0 18 -4,-1.3 3,-1.0 -3,-0.9 -1,-0.2 0.827 94.9 66.0 -67.7 -32.0 -11.4 10.1 -2.0 95 95 A D H X< S+ 0 0 38 -4,-1.1 3,-0.6 -3,-0.5 -1,-0.2 0.779 95.3 58.8 -60.4 -27.0 -8.8 11.2 -4.7 96 96 A A H << S+ 0 0 1 -3,-0.8 2,-0.5 -4,-0.7 -1,-0.3 0.792 102.4 53.8 -73.1 -28.7 -7.7 7.6 -4.9 97 97 A V T << S+ 0 0 0 -3,-1.0 7,-0.8 -4,-0.6 8,-0.4 -0.419 94.2 87.6-104.1 56.2 -11.2 6.5 -5.8 98 98 A R B < +F 103 0B 93 -3,-0.6 234,-0.2 -2,-0.5 5,-0.2 -0.943 40.3 176.3-156.1 130.4 -11.7 8.8 -8.8 99 99 A Y S S- 0 0 90 3,-1.0 233,-0.2 -2,-0.3 -1,-0.1 0.889 88.7 -4.9 -96.2 -64.7 -10.9 8.5 -12.5 100 100 A N S S- 0 0 153 2,-0.2 3,-0.1 75,-0.0 75,-0.0 -0.270 121.9 -65.6-127.7 45.8 -12.3 11.7 -14.2 101 101 A G S S+ 0 0 44 1,-0.3 2,-0.2 -6,-0.1 73,-0.0 0.036 107.1 113.8 96.2 -26.8 -14.1 13.3 -11.3 102 102 A K - 0 0 141 1,-0.0 -3,-1.0 2,-0.0 2,-0.4 -0.566 63.7-131.5 -81.2 141.8 -16.7 10.5 -11.0 103 103 A L B +F 98 0B 42 -2,-0.2 -24,-0.6 -5,-0.2 -5,-0.2 -0.799 34.6 160.3 -97.0 132.0 -16.7 8.4 -7.9 104 104 A I + 0 0 18 -7,-0.8 162,-0.3 -2,-0.4 2,-0.3 -0.026 63.1 25.4-138.3 30.5 -16.8 4.6 -8.2 105 105 A A - 0 0 0 -8,-0.4 160,-0.1 160,-0.1 -8,-0.1 -0.974 59.7-133.4-173.8 178.7 -15.5 3.4 -4.8 106 106 A Y E -D 264 0A 2 158,-0.5 158,-0.7 -2,-0.3 -12,-0.1 -0.697 23.7-136.3-155.7 96.1 -15.1 4.3 -1.1 107 107 A P E +D 263 0A 0 0, 0.0 156,-0.3 0, 0.0 3,-0.1 -0.142 30.2 163.4 -52.5 145.0 -11.8 3.7 0.7 108 108 A I E + 0 0 9 154,-1.8 195,-3.5 1,-0.4 196,-0.8 0.596 58.1 36.3-128.3 -59.3 -12.0 2.1 4.2 109 109 A A E -DE 262 302A 3 153,-1.8 153,-3.9 193,-0.3 -1,-0.4 -0.805 65.4-153.5-105.9 145.8 -8.7 0.8 5.4 110 110 A V E +DE 261 301A 2 191,-2.9 191,-0.7 -2,-0.3 2,-0.3 -0.951 15.6 173.4-121.2 138.4 -5.3 2.3 4.7 111 111 A E E +D 260 0A 19 149,-3.0 149,-1.4 -2,-0.4 2,-0.3 -0.944 3.2 163.7-139.5 160.1 -1.9 0.6 4.6 112 112 A A - 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0 0 36 0, 0.0 2,-0.5 0, 0.0 99,-0.0 -0.392 28.8 -95.3 -75.5 153.0 15.4 3.9 16.0 126 126 A P - 0 0 8 0, 0.0 6,-0.1 0, 0.0 3,-0.0 -0.562 33.1-174.1 -72.5 116.2 17.1 6.1 13.3 127 127 A K S S+ 0 0 134 -2,-0.5 122,-0.8 121,-0.1 2,-0.3 0.732 71.9 50.0 -80.9 -23.7 15.0 9.2 12.6 128 128 A T B > S-j 249 0D 56 120,-0.3 3,-0.8 1,-0.1 4,-0.4 -0.881 75.5-135.8-118.0 149.7 17.2 10.2 9.7 129 129 A W T > S+ 0 0 23 120,-1.8 3,-1.1 -2,-0.3 121,-0.1 0.817 106.2 61.9 -69.6 -31.3 18.5 8.3 6.7 130 130 A E T 3> S+ 0 0 122 119,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.656 96.9 60.8 -68.8 -15.6 22.0 9.7 7.2 131 131 A E H <> S+ 0 0 109 -3,-0.8 4,-1.0 2,-0.1 -1,-0.2 0.647 93.5 64.6 -85.5 -16.9 22.1 8.0 10.6 132 132 A I H X> S+ 0 0 10 -3,-1.1 4,-2.1 -4,-0.4 3,-0.6 0.945 91.9 59.9 -71.8 -49.4 21.7 4.5 9.2 133 133 A P H 3> S+ 0 0 24 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.879 105.1 50.7 -45.0 -46.6 25.0 4.4 7.2 134 134 A A H >X S+ 0 0 48 -4,-0.6 4,-1.3 1,-0.2 3,-0.8 0.886 108.3 52.1 -61.1 -40.1 26.9 4.9 10.5 135 135 A L H S+ 0 0 36 -4,-1.0 4,-3.3 -3,-0.6 5,-0.6 0.865 99.0 64.2 -64.7 -36.8 24.9 2.0 12.1 136 136 A D H 3<5S+ 0 0 17 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.784 106.0 45.5 -57.8 -27.5 25.8 -0.2 9.2 137 137 A K H <<5S+ 0 0 138 -4,-0.8 4,-0.4 -3,-0.8 -1,-0.2 0.793 121.7 36.1 -85.6 -31.6 29.5 0.1 10.3 138 138 A E H >X5S+ 0 0 126 -4,-1.3 3,-1.2 2,-0.2 4,-1.1 0.937 116.3 48.7 -85.1 -56.5 28.7 -0.4 14.0 139 139 A L H 3X>S+ 0 0 5 -4,-3.3 5,-1.7 1,-0.3 4,-0.7 0.776 111.3 54.9 -55.4 -26.8 25.9 -3.0 13.9 140 140 A K H 34> - 0 0 63 -3,-0.4 3,-2.7 1,-0.1 4,-0.7 -0.711 64.8-146.5-168.5 111.4 11.6 -2.6 -6.9 154 154 A P G >4 S+ 0 0 7 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.758 98.3 74.4 -50.3 -25.7 12.3 1.1 -7.3 155 155 A Y G >4 S+ 0 0 27 1,-0.3 3,-0.9 2,-0.2 103,-0.3 0.820 92.9 52.6 -58.4 -31.5 9.1 1.6 -5.2 156 156 A F G <4 S+ 0 0 33 -3,-2.7 -1,-0.3 1,-0.2 4,-0.1 0.805 111.5 45.3 -74.4 -30.5 11.1 0.6 -2.2 157 157 A T G >S+ 0 0 10 -3,-0.9 4,-2.2 2,-0.2 5,-1.0 0.913 75.5 55.5 -83.6 -48.4 11.3 5.9 -3.7 159 159 A P H 45S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 97,-0.1 0.699 112.6 47.0 -58.1 -18.8 11.3 7.6 -0.2 160 160 A L H 45S+ 0 0 7 3,-0.1 4,-0.4 95,-0.1 -2,-0.2 0.775 126.4 25.2 -92.7 -32.1 15.1 8.0 -0.6 161 161 A I H >X5S+ 0 0 5 -4,-0.8 3,-0.8 -3,-0.4 4,-0.7 0.888 123.9 46.0 -95.8 -58.0 15.1 9.3 -4.2 162 162 A A H >X5S+ 0 0 5 -4,-2.2 4,-1.9 1,-0.2 3,-0.8 0.812 106.3 64.9 -56.2 -31.1 11.7 11.0 -4.6 163 163 A A H 34 +L 175 0F 103 3,-3.3 3,-1.0 -2,-0.7 -2,-0.1 -0.988 52.4 22.7-158.8 150.9 -1.9 19.9 -12.0 173 173 A N T 3 S- 0 0 151 -2,-0.3 2,-0.2 1,-0.3 3,-0.1 0.803 128.9 -61.4 61.5 29.9 -5.2 21.2 -13.4 174 174 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.0 2,-0.1 -0.119 127.7 64.9 90.8 -38.5 -7.0 18.6 -11.2 175 175 A K E < S-L 172 0F 126 -3,-1.0 -3,-3.3 -2,-0.2 2,-0.6 -0.448 90.4 -96.4-108.0-177.1 -5.3 15.7 -13.0 176 176 A Y E -L 171 0F 41 -5,-0.3 -5,-0.3 -2,-0.1 -3,-0.0 -0.911 36.4-120.6-108.1 121.1 -1.7 14.4 -13.2 177 177 A D E -L 170 0F 44 -7,-3.7 -7,-1.1 -2,-0.6 3,-0.4 -0.322 18.2-164.4 -58.7 132.5 0.3 15.4 -16.3 178 178 A I S S+ 0 0 66 1,-0.2 -1,-0.2 -9,-0.1 3,-0.1 0.701 87.1 56.3 -91.0 -23.6 1.5 12.3 -18.2 179 179 A K S S+ 0 0 133 1,-0.2 2,-0.3 -9,-0.1 -1,-0.2 0.033 96.5 75.1 -96.4 26.1 4.2 14.2 -20.2 180 180 A D + 0 0 68 -3,-0.4 -10,-0.3 -12,-0.2 2,-0.3 -0.741 58.8 171.8-141.5 90.1 5.9 15.5 -17.1 181 181 A V - 0 0 7 -2,-0.3 2,-0.5 -12,-0.1 -13,-0.2 -0.755 25.7-147.3-100.7 146.0 8.0 13.0 -15.2 182 182 A G B +K 167 0E 1 -15,-1.6 -15,-1.3 -2,-0.3 3,-0.2 -0.541 62.6 106.3-111.0 66.6 10.2 13.8 -12.2 183 183 A V S S+ 0 0 7 -2,-0.5 2,-1.7 -17,-0.2 -1,-0.1 0.839 75.2 46.1-103.1 -60.5 13.1 11.3 -12.5 184 184 A D S S+ 0 0 42 177,-0.4 2,-0.2 -3,-0.2 -1,-0.1 -0.346 86.5 140.5 -83.5 56.7 16.1 13.2 -13.8 185 185 A N > - 0 0 70 -2,-1.7 4,-2.5 -3,-0.2 5,-0.2 -0.487 69.4-104.5 -95.8 168.4 15.6 16.0 -11.3 186 186 A A T 4 S+ 0 0 88 1,-0.2 4,-0.5 2,-0.2 -21,-0.1 0.842 123.6 36.0 -59.8 -34.2 18.2 18.0 -9.3 187 187 A G T >> S+ 0 0 8 -22,-0.6 4,-2.7 2,-0.2 3,-0.6 0.897 115.2 51.8 -85.9 -45.5 17.2 16.0 -6.2 188 188 A A H 3> S+ 0 0 1 -23,-1.3 4,-2.1 1,-0.2 5,-0.3 0.872 104.8 58.7 -58.9 -38.7 16.5 12.6 -7.8 189 189 A K H 3X S+ 0 0 69 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.846 114.5 36.9 -60.1 -34.7 19.9 12.7 -9.5 190 190 A A H <> S+ 0 0 45 -3,-0.6 4,-0.8 -4,-0.5 -2,-0.2 0.781 109.3 63.8 -87.5 -31.0 21.5 13.0 -6.0 191 191 A G H >X S+ 0 0 0 -4,-2.7 3,-1.1 -30,-0.2 4,-1.0 0.940 104.3 45.0 -58.5 -50.5 19.1 10.7 -4.3 192 192 A L H 3X S+ 0 0 8 -4,-2.1 4,-2.8 1,-0.3 -1,-0.2 0.905 102.4 65.9 -60.8 -43.1 20.0 7.6 -6.3 193 193 A T H 3X S+ 0 0 57 -4,-0.8 4,-2.4 -5,-0.3 -1,-0.3 0.773 98.0 58.5 -50.2 -27.4 23.7 8.4 -5.9 194 194 A F H S+ 0 0 21 -4,-1.4 5,-3.0 2,-0.2 6,-0.5 0.974 104.4 40.6 -59.7 -58.2 26.2 2.3 -0.6 199 199 A I H ><5S+ 0 0 48 -4,-1.5 3,-0.8 1,-0.2 -1,-0.2 0.801 115.6 54.4 -61.4 -28.8 26.4 -0.9 -2.6 200 200 A K H 3<5S+ 0 0 103 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 107.8 48.0 -73.3 -35.4 29.7 0.3 -4.0 201 201 A N T 3<5S- 0 0 113 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.189 119.6-109.7 -90.2 16.5 31.2 0.9 -0.6 202 202 A K T < 5S+ 0 0 189 -3,-0.8 -3,-0.2 1,-0.1 -2,-0.1 0.874 80.1 132.8 57.8 39.1 30.0 -2.6 0.6 203 203 A H < + 0 0 23 -5,-3.0 2,-0.2 -6,-0.2 -4,-0.2 0.708 69.5 21.1 -90.2 -23.9 27.4 -0.9 2.8 204 204 A M S S- 0 0 24 -6,-0.5 2,-0.3 -9,-0.1 -56,-0.1 -0.723 81.8-104.0-132.9-177.5 24.6 -3.2 1.7 205 205 A N - 0 0 89 -2,-0.2 3,-0.3 1,-0.1 -6,-0.1 -0.874 7.4-146.5-115.6 147.9 24.0 -6.6 0.0 206 206 A A S S+ 0 0 73 -2,-0.3 2,-1.3 1,-0.2 -1,-0.1 0.799 95.9 65.1 -78.8 -30.5 23.0 -7.4 -3.5 207 207 A D S S+ 0 0 145 2,-0.0 2,-0.4 5,-0.0 -1,-0.2 -0.433 76.9 130.8 -91.4 60.0 21.1 -10.5 -2.5 208 208 A T + 0 0 7 -2,-1.3 -57,-1.2 -3,-0.3 2,-0.3 -0.931 22.3 148.7-117.4 138.5 18.5 -8.6 -0.5 209 209 A D > - 0 0 43 -2,-0.4 4,-1.8 -59,-0.2 5,-0.1 -0.923 58.2 -93.1-154.2 176.2 14.7 -8.9 -0.8 210 210 A Y H > S+ 0 0 102 -2,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.885 123.3 44.1 -64.7 -39.8 11.4 -8.6 1.2 211 211 A S H >> S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 3,-1.0 0.981 116.5 42.8 -69.0 -59.1 11.5 -12.4 2.1 212 212 A I H 3> S+ 0 0 79 1,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.806 117.1 50.8 -57.6 -29.1 15.2 -12.6 3.0 213 213 A A H 3X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 -1,-0.3 0.720 106.4 55.0 -80.6 -22.6 14.7 -9.4 4.8 214 214 A E H S+ 0 0 15 -4,-1.3 5,-3.6 -5,-0.2 4,-0.8 0.812 108.9 44.8 -58.7 -30.8 16.5 -11.7 9.2 217 217 A F H <5S+ 0 0 18 -4,-0.7 -1,-0.2 3,-0.2 -2,-0.2 0.844 113.4 48.9 -81.7 -36.9 14.1 -9.8 11.4 218 218 A N H <5S+ 0 0 56 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.930 112.0 47.5 -68.3 -46.8 12.3 -12.8 12.7 219 219 A K H <5S- 0 0 151 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.811 121.2-108.9 -64.5 -30.1 15.6 -14.7 13.6 220 220 A G T <5S+ 0 0 39 -4,-0.8 -3,-0.2 -5,-0.3 -2,-0.1 0.819 81.0 118.2 102.1 43.8 16.9 -11.6 15.3 221 221 A E < + 0 0 92 -5,-3.6 -4,-0.2 1,-0.2 2,-0.2 0.841 62.6 46.5-100.3 -74.5 19.6 -10.4 12.9 222 222 A T - 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0 0 85 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.059 38.2-104.4 -62.4 169.5 24.6 6.4 -15.4 357 357 A V H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.931 123.7 44.6 -62.5 -47.3 22.2 7.9 -12.9 358 358 A D H > S+ 0 0 70 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.816 114.0 51.7 -66.8 -31.4 21.2 10.7 -15.2 359 359 A E H > S+ 0 0 83 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.905 106.6 52.0 -72.2 -43.1 21.0 8.2 -18.1 360 360 A A H X S+ 0 0 3 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.887 116.1 40.8 -60.6 -40.6 18.7 5.8 -16.2 361 361 A L H X S+ 0 0 5 -4,-1.7 4,-1.7 -5,-0.2 -177,-0.4 0.813 114.2 54.2 -77.3 -31.8 16.3 8.7 -15.4 362 362 A K H X S+ 0 0 106 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.959 112.2 41.2 -66.6 -52.9 16.7 10.2 -18.9 363 363 A D H X S+ 0 0 62 -4,-2.9 4,-2.0 1,-0.2 3,-0.3 0.930 114.8 51.8 -61.2 -47.3 15.7 7.1 -20.8 364 364 A A H X S+ 0 0 2 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.865 105.2 57.3 -58.0 -37.7 12.9 6.2 -18.4 365 365 A Q H X S+ 0 0 39 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.900 108.9 44.7 -60.7 -42.1 11.6 9.7 -18.8 366 366 A T H < S+ 0 0 71 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.818 111.8 53.9 -71.7 -31.5 11.2 9.2 -22.5 367 367 A R H >< S+ 0 0 102 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.900 111.1 44.6 -69.4 -42.0 9.7 5.8 -22.0 368 368 A I H 3< S+ 0 0 10 -4,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.954 121.8 36.9 -67.2 -52.0 7.0 7.1 -19.7 369 369 A T T 3< 0 0 33 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 -0.228 360.0 360.0 -95.4 43.6 6.1 10.1 -21.8 370 370 A K < 0 0 218 -3,-0.9 -3,-0.1 -2,-0.3 -4,-0.1 -0.772 360.0 360.0 -87.6 360.0 6.6 8.2 -25.1