==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 29-OCT-02 1N3W . COMPND 2 MOLECULE: MALTOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.G.TELMER,B.H.SHILTON . 366 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 10.1 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 . 2 0.5 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 . 21 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 2 1 1 2 1 2 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 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 0 PARALLEL BRIDGES PER LADDER . 4 2 0 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 . 2 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 0 228 0, 0.0 2,-0.7 0, 0.0 55,-0.2 0.000 360.0 360.0 360.0-178.8 137.3 19.7 32.6 2 2 A I - 0 0 14 263,-0.3 2,-0.2 52,-0.3 53,-0.0 -0.910 360.0-125.7 -99.7 113.9 133.9 18.5 33.9 3 3 A E > - 0 0 119 -2,-0.7 3,-0.5 1,-0.1 2,-0.2 -0.424 21.4-136.7 -66.8 132.0 134.6 17.1 37.4 4 4 A E T 3 S+ 0 0 137 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.564 79.5 56.2 -86.6 152.5 133.3 13.6 37.8 5 5 A G T 3 S+ 0 0 19 1,-0.4 29,-0.4 -2,-0.2 2,-0.3 0.306 105.0 49.8 108.9 -5.8 131.4 12.5 41.0 6 6 A K S < S- 0 0 35 -3,-0.5 2,-0.4 27,-0.2 -1,-0.4 -0.896 75.1-116.7-150.7 176.4 128.7 15.2 40.7 7 7 A L E -a 35 0A 0 27,-1.8 29,-2.6 -2,-0.3 2,-0.5 -0.990 16.8-165.4-128.7 124.9 126.2 16.8 38.4 8 8 A V E -a 36 0A 22 -2,-0.4 50,-2.1 27,-0.2 51,-1.7 -0.943 15.4-168.0-109.2 121.3 126.3 20.4 37.4 9 9 A I E -ab 37 59A 0 27,-3.4 29,-1.8 -2,-0.5 2,-0.4 -0.745 9.5-155.3-110.3 157.5 123.0 21.6 35.8 10 10 A W E +ab 38 60A 26 49,-1.4 51,-2.2 -2,-0.3 2,-0.3 -0.999 20.5 158.2-134.1 133.0 122.2 24.8 33.8 11 11 A I - 0 0 4 27,-1.9 51,-0.1 -2,-0.4 6,-0.1 -0.989 44.4 -88.6-151.6 150.6 118.7 26.4 33.5 12 12 A N > - 0 0 41 -2,-0.3 3,-2.5 49,-0.2 5,-0.2 -0.289 35.0-117.8 -65.1 144.9 117.4 29.9 32.6 13 13 A G T 3 S+ 0 0 40 1,-0.3 4,-0.1 27,-0.2 -1,-0.1 0.640 111.5 62.6 -55.5 -16.8 116.9 32.4 35.4 14 14 A D T 3 S+ 0 0 41 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.471 92.2 81.5 -89.5 -1.5 113.2 32.6 34.7 15 15 A K S < S- 0 0 19 -3,-2.5 2,-2.6 1,-0.0 3,-0.2 -0.613 99.5 -91.4-100.7 163.5 112.7 28.9 35.5 16 16 A G > + 0 0 0 277,-0.5 4,-1.7 1,-0.2 3,-0.2 -0.382 55.3 159.3 -74.1 69.6 112.3 27.3 38.9 17 17 A Y H > S+ 0 0 68 -2,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.698 74.4 55.4 -65.8 -18.4 115.9 26.6 39.6 18 18 A N H > S+ 0 0 95 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.863 106.1 50.4 -80.1 -36.2 115.2 26.4 43.3 19 19 A G H > S+ 0 0 0 270,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.839 112.1 49.0 -67.3 -30.2 112.6 23.8 42.6 20 20 A L H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.924 107.8 52.8 -73.4 -44.5 115.2 21.9 40.6 21 21 A A H X S+ 0 0 32 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.939 105.1 56.3 -55.0 -47.0 117.8 22.2 43.3 22 22 A E H X S+ 0 0 83 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.916 107.6 47.9 -49.8 -48.2 115.2 20.7 45.7 23 23 A V H < S+ 0 0 7 -4,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.855 110.4 53.3 -61.8 -34.0 115.0 17.7 43.3 24 24 A G H >X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 3,-1.0 0.868 102.1 59.7 -68.9 -34.8 118.8 17.7 43.4 25 25 A K H 3X S+ 0 0 135 -4,-2.6 4,-1.1 1,-0.3 3,-0.4 0.946 104.1 47.4 -59.4 -49.8 118.7 17.6 47.1 26 26 A K H 3X S+ 0 0 68 -4,-1.7 4,-0.7 1,-0.2 -1,-0.3 0.544 107.5 59.3 -71.6 -3.3 116.8 14.3 47.3 27 27 A F H <> S+ 0 0 4 -3,-1.0 4,-0.9 -4,-0.3 6,-0.4 0.842 105.9 46.6 -87.2 -38.9 119.2 12.9 44.7 28 28 A E H < S+ 0 0 94 -4,-1.7 4,-0.5 -3,-0.4 -2,-0.2 0.676 110.7 55.0 -73.2 -19.2 122.2 13.6 47.0 29 29 A K H < S+ 0 0 179 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.803 115.6 36.5 -83.5 -31.4 120.2 12.0 49.9 30 30 A D H < S+ 0 0 92 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.496 136.2 18.4 -98.9 -5.1 119.5 8.8 48.0 31 31 A T S < S- 0 0 63 -4,-0.9 -3,-0.2 2,-0.1 -2,-0.1 0.621 87.9-123.3-135.4 -32.5 122.9 8.6 46.2 32 32 A G S S+ 0 0 48 -4,-0.5 2,-0.6 -5,-0.4 -4,-0.2 0.231 72.2 122.8 99.6 -14.3 125.6 10.8 47.8 33 33 A I - 0 0 29 -6,-0.4 -1,-0.3 -27,-0.1 -27,-0.2 -0.752 56.5-139.6 -86.9 117.7 126.2 12.6 44.6 34 34 A K - 0 0 77 -2,-0.6 -27,-1.8 -29,-0.4 2,-0.4 -0.339 9.9-144.7 -74.3 156.0 125.7 16.4 45.0 35 35 A V E -a 7 0A 25 -29,-0.2 2,-0.6 -14,-0.1 -27,-0.2 -0.985 5.6-159.4-129.6 126.5 124.0 18.6 42.4 36 36 A T E -a 8 0A 48 -29,-2.6 -27,-3.4 -2,-0.4 2,-0.5 -0.915 6.8-165.8-107.0 119.3 124.8 22.2 41.5 37 37 A V E +a 9 0A 29 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.914 14.6 173.3-106.1 122.8 122.1 24.2 39.7 38 38 A E E -a 10 0A 91 -29,-1.8 -27,-1.9 -2,-0.5 -2,-0.0 -0.883 25.2-159.0-127.2 159.2 123.2 27.4 38.1 39 39 A H + 0 0 85 -2,-0.3 -26,-0.1 -29,-0.2 3,-0.1 -0.567 22.1 178.8-139.3 71.9 121.6 30.0 35.9 40 40 A P > - 0 0 41 0, 0.0 3,-0.9 0, 0.0 -27,-0.2 -0.340 38.9 -88.1 -73.4 155.0 124.3 32.0 34.0 41 41 A D T 3 S+ 0 0 133 1,-0.3 5,-0.2 2,-0.1 4,-0.1 -0.295 108.0 2.3 -63.6 147.7 123.4 34.8 31.5 42 42 A K T >> S+ 0 0 109 1,-0.1 4,-2.9 3,-0.1 3,-1.7 0.878 78.4 167.2 40.3 49.7 122.9 33.8 27.9 43 43 A L H <> + 0 0 0 -3,-0.9 4,-2.8 1,-0.3 -1,-0.1 0.796 69.2 64.3 -62.9 -27.4 123.4 30.2 29.0 44 44 A E H 34 S+ 0 0 15 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.669 113.1 33.7 -69.7 -17.2 122.1 29.1 25.6 45 45 A E H <> S+ 0 0 83 -3,-1.7 4,-1.0 2,-0.1 -2,-0.2 0.726 115.8 56.8-103.2 -36.5 125.1 30.8 24.0 46 46 A K H >X S+ 0 0 90 -4,-2.9 4,-1.8 -5,-0.2 3,-1.2 0.958 100.2 58.4 -59.9 -52.7 127.5 30.1 26.8 47 47 A F H 3X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.3 5,-0.3 0.897 104.0 49.6 -44.7 -57.1 127.0 26.3 26.7 48 48 A P H 34 S+ 0 0 39 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.774 111.6 52.4 -56.3 -28.7 128.0 25.9 23.0 49 49 A Q H XX S+ 0 0 108 -3,-1.2 3,-1.1 -4,-1.0 4,-0.6 0.994 119.9 28.8 -69.9 -67.7 131.2 27.9 23.8 50 50 A V H ><>S+ 0 0 49 -4,-1.8 5,-2.2 1,-0.3 3,-1.5 0.903 116.7 59.2 -60.5 -45.9 132.5 25.9 26.7 51 51 A A T 3<5S+ 0 0 6 -4,-3.3 3,-0.3 -5,-0.4 -1,-0.3 0.686 96.6 65.3 -59.9 -16.5 131.0 22.6 25.6 52 52 A A T <45S+ 0 0 71 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.810 104.2 42.9 -76.9 -29.0 133.0 22.9 22.4 53 53 A T T <<5S- 0 0 108 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.372 130.3 -95.0 -94.5 3.9 136.3 22.6 24.4 54 54 A G T 5S+ 0 0 25 -4,-0.4 -52,-0.3 -3,-0.3 -3,-0.2 0.697 91.2 103.1 93.2 20.1 134.9 19.8 26.5 55 55 A D < + 0 0 53 -5,-2.2 -1,-0.3 -8,-0.1 210,-0.2 -0.450 35.8 76.6-117.9-167.1 133.7 21.9 29.5 56 56 A G S S- 0 0 22 -55,-0.2 -48,-0.1 -2,-0.2 2,-0.0 -0.549 81.7 -18.7 102.3-168.4 130.4 23.2 30.8 57 57 A P - 0 0 0 0, 0.0 -48,-0.2 0, 0.0 206,-0.2 -0.315 49.0-130.2 -73.5 158.1 127.4 21.6 32.7 58 58 A D S S+ 0 0 0 -50,-2.1 205,-3.9 1,-0.3 2,-0.4 0.897 99.4 24.8 -74.2 -42.1 126.7 17.9 32.7 59 59 A I E S-bC 9 262A 0 -51,-1.7 -49,-1.4 203,-0.3 2,-0.4 -0.987 75.3-155.8-127.8 133.0 123.1 18.6 31.8 60 60 A I E -bC 10 261A 0 201,-2.7 201,-2.4 -2,-0.4 2,-0.5 -0.892 4.0-154.4-110.6 133.7 121.8 21.6 29.9 61 61 A F E + C 0 260A 3 -51,-2.2 2,-0.3 -2,-0.4 199,-0.2 -0.908 36.2 117.9-108.1 129.0 118.3 23.0 30.1 62 62 A W E - C 0 259A 42 197,-1.9 197,-2.8 -2,-0.5 5,-0.0 -0.952 67.4 -69.0-172.7 166.6 116.7 25.1 27.3 63 63 A A E > - C 0 258A 11 -2,-0.3 3,-1.4 195,-0.3 4,-0.4 -0.343 52.9-112.3 -63.5 150.4 113.9 25.0 24.9 64 64 A H G >> S+ 0 0 1 193,-1.7 3,-0.9 1,-0.3 4,-0.6 0.675 103.2 84.5 -61.0 -21.7 114.4 22.4 22.2 65 65 A D G 34 S+ 0 0 8 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.790 94.9 44.1 -56.1 -25.4 114.9 24.9 19.4 66 66 A R G <> S+ 0 0 29 -3,-1.4 4,-1.4 1,-0.2 3,-0.4 0.674 94.9 79.5 -90.8 -19.4 118.6 25.2 20.3 67 67 A F H <> S+ 0 0 0 -3,-0.9 4,-2.3 -4,-0.4 -1,-0.2 0.729 83.1 60.4 -62.7 -25.5 119.3 21.5 20.8 68 68 A G H X S+ 0 0 0 -4,-0.6 4,-2.6 260,-0.5 -1,-0.2 0.920 104.5 51.0 -73.0 -42.5 119.7 20.7 17.1 69 69 A G H > S+ 0 0 18 -3,-0.4 4,-1.5 259,-0.4 -1,-0.2 0.927 110.3 49.4 -58.0 -45.6 122.6 23.1 16.8 70 70 A Y H <>S+ 0 0 9 -4,-1.4 5,-2.6 1,-0.2 6,-0.5 0.899 111.8 48.1 -59.7 -44.6 124.2 21.5 19.8 71 71 A A H ><5S+ 0 0 22 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.871 107.4 55.5 -65.1 -38.9 123.8 18.0 18.4 72 72 A Q H 3<5S+ 0 0 107 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.826 108.2 50.4 -61.0 -33.6 125.2 19.1 15.0 73 73 A S T 3<5S- 0 0 85 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.177 115.9-117.3 -90.7 15.9 128.3 20.3 16.9 74 74 A G T < 5S+ 0 0 53 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.701 78.7 126.0 55.5 24.0 128.6 16.9 18.7 75 75 A L < + 0 0 12 -5,-2.6 189,-3.0 -6,-0.2 2,-0.4 0.601 54.5 70.0 -86.9 -13.2 128.1 18.6 22.1 76 76 A L B S-F 263 0B 18 -6,-0.5 2,-0.2 187,-0.2 187,-0.2 -0.851 74.2-132.9-110.7 144.6 125.2 16.4 23.2 77 77 A A - 0 0 14 185,-2.9 185,-0.4 -2,-0.4 2,-0.3 -0.594 32.2-106.9 -86.2 150.3 125.3 12.8 24.3 78 78 A E - 0 0 116 -2,-0.2 2,-0.2 183,-0.1 26,-0.2 -0.629 37.0-129.6 -77.5 138.9 122.7 10.4 22.9 79 79 A I - 0 0 10 24,-1.7 24,-0.3 -2,-0.3 26,-0.1 -0.569 9.1-149.2 -88.7 153.6 120.1 9.5 25.5 80 80 A T + 0 0 91 -2,-0.2 2,-0.5 2,-0.0 -1,-0.0 -0.511 25.5 164.8-124.1 65.8 119.0 5.9 26.3 81 81 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.698 33.6-130.2 -84.5 126.9 115.4 5.8 27.4 82 82 A D >> - 0 0 101 -2,-0.5 4,-1.9 1,-0.1 3,-1.1 -0.435 30.7-100.3 -74.4 149.2 113.9 2.3 27.4 83 83 A K H 3> S+ 0 0 137 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.826 122.6 59.1 -32.0 -52.9 110.4 1.8 25.7 84 84 A A H 34 S+ 0 0 65 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.910 109.0 41.5 -46.5 -54.7 108.8 1.8 29.1 85 85 A F H X4 S+ 0 0 8 -3,-1.1 3,-1.7 1,-0.2 4,-0.3 0.874 109.9 57.5 -65.2 -39.4 110.1 5.3 30.0 86 86 A Q H >< S+ 0 0 52 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.879 101.5 58.0 -58.6 -37.2 109.4 6.7 26.5 87 87 A D T 3< S+ 0 0 90 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.557 90.4 71.6 -70.2 -8.3 105.8 5.8 26.9 88 88 A K T < S+ 0 0 115 -3,-1.7 213,-1.4 -4,-0.3 214,-0.5 0.632 97.4 60.9 -80.8 -11.5 105.6 7.9 30.1 89 89 A L B < S-G 300 0C 2 -3,-1.6 211,-0.2 -4,-0.3 210,-0.1 -0.895 97.4 -95.6-121.0 147.6 105.8 11.0 27.8 90 90 A Y >> - 0 0 62 209,-1.4 3,-1.6 -2,-0.3 4,-1.0 -0.312 35.2-125.0 -57.1 128.9 103.5 12.3 25.0 91 91 A P H 3> S+ 0 0 88 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.748 106.7 60.2 -50.0 -27.3 104.8 11.2 21.6 92 92 A F H 3> S+ 0 0 91 2,-0.2 4,-1.0 1,-0.2 -2,-0.1 0.822 96.3 59.1 -74.8 -28.0 105.0 14.8 20.3 93 93 A T H X4 S+ 0 0 0 -3,-1.6 3,-1.0 1,-0.2 4,-0.5 0.956 104.9 51.0 -63.2 -46.7 107.4 15.9 23.0 94 94 A W H >< S+ 0 0 8 -4,-1.0 3,-2.1 1,-0.3 -1,-0.2 0.902 102.2 59.2 -54.7 -47.3 110.0 13.3 21.8 95 95 A D H >< S+ 0 0 95 -4,-1.4 3,-0.9 1,-0.3 -1,-0.3 0.800 100.8 58.3 -54.2 -28.4 109.7 14.5 18.2 96 96 A A T << S+ 0 0 5 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.647 108.9 43.1 -76.8 -17.6 110.8 17.9 19.4 97 97 A V T < S+ 0 0 0 -3,-2.1 7,-2.6 -4,-0.5 8,-0.5 0.033 90.6 108.2-116.4 24.8 114.1 16.5 20.8 98 98 A R E < +H 103 0D 94 -3,-0.9 2,-0.4 5,-0.2 5,-0.2 -0.897 41.2 176.5-106.7 131.3 114.9 14.2 17.9 99 99 A Y E > -H 102 0D 33 3,-3.2 3,-2.7 -2,-0.5 -3,-0.0 -0.997 68.3 -14.5-136.9 131.2 117.8 15.1 15.6 100 100 A N T 3 S- 0 0 120 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.874 129.4 -53.0 44.2 44.0 119.1 13.0 12.7 101 101 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.371 119.2 102.6 78.4 -3.6 117.1 10.1 14.0 102 102 A K E < S-H 99 0D 113 -3,-2.7 -3,-3.2 -24,-0.0 2,-0.6 -0.872 73.7-122.1-113.6 142.1 118.6 10.2 17.5 103 103 A L E -H 98 0D 13 -2,-0.4 -24,-1.7 -24,-0.3 -5,-0.2 -0.792 29.4-178.6 -78.3 114.6 117.0 11.6 20.7 104 104 A I + 0 0 11 -7,-2.6 158,-0.3 -2,-0.6 2,-0.3 0.275 58.8 6.9-101.5 10.0 119.3 14.2 21.9 105 105 A A S S- 0 0 0 -8,-0.5 156,-0.3 156,-0.2 -8,-0.1 -0.973 75.7 -95.8-173.5 169.2 117.6 15.4 25.0 106 106 A Y E -D 260 0A 0 154,-3.1 154,-2.1 -2,-0.3 2,-0.1 -0.869 36.5-126.4-103.5 131.7 114.7 14.7 27.5 107 107 A P E +D 259 0A 0 0, 0.0 152,-0.2 0, 0.0 3,-0.1 -0.482 33.7 165.6 -76.0 144.8 111.4 16.6 27.1 108 108 A I E - 0 0 2 150,-2.5 191,-3.6 1,-0.4 192,-0.5 0.697 54.8 -8.7-119.5 -65.5 110.1 18.4 30.1 109 109 A A E -DE 258 298A 0 149,-0.5 149,-2.6 189,-0.3 2,-0.6 -0.974 56.5-120.3-142.3 151.8 107.3 20.9 29.5 110 110 A V E -DE 257 297A 4 187,-3.0 187,-1.3 -2,-0.3 2,-0.4 -0.835 31.1-160.0 -94.9 122.9 105.5 22.6 26.5 111 111 A E E +D 256 0A 10 145,-3.8 145,-2.4 -2,-0.6 2,-0.3 -0.902 20.2 157.1-111.1 132.5 105.9 26.3 26.6 112 112 A A - 0 0 0 -2,-0.4 2,-0.2 143,-0.2 208,-0.1 -0.984 38.6-112.8-148.2 145.3 103.6 28.8 24.7 113 113 A L - 0 0 0 -2,-0.3 2,-0.3 111,-0.1 111,-0.2 -0.504 34.1-179.5 -80.8 150.7 102.8 32.4 25.3 114 114 A S E -I 223 0E 2 109,-1.9 109,-1.5 -2,-0.2 2,-0.5 -0.909 35.1 -94.6-141.9 166.6 99.4 33.6 26.4 115 115 A L E -IJ 222 241E 1 126,-1.9 126,-2.8 -2,-0.3 2,-0.6 -0.769 34.5-160.2 -89.9 124.4 97.7 36.9 27.2 116 116 A I E -IJ 221 240E 0 105,-2.6 105,-2.0 -2,-0.5 2,-0.3 -0.930 15.5-178.6-107.5 117.7 97.8 37.7 30.9 117 117 A Y E -IJ 220 239E 34 122,-1.9 122,-1.6 -2,-0.6 2,-1.3 -0.914 34.4-118.0-122.7 147.4 95.2 40.3 32.0 118 118 A N E >> - 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0 0 6 -3,-1.7 3,-0.6 -208,-0.2 -262,-0.1 -0.480 47.3-164.7 -73.5 132.5 130.4 14.6 30.7 267 271 A P T 3 S+ 0 0 75 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.601 92.0 61.9 -82.1 -11.7 132.1 11.8 32.7 268 272 A N T >> + 0 0 4 1,-0.2 4,-2.6 2,-0.1 3,-0.6 0.075 58.6 125.7-101.7 20.5 128.8 11.7 34.6 269 273 A K H <> S+ 0 0 89 -3,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.762 76.5 54.6 -51.2 -25.9 126.5 10.7 31.7 270 274 A E H 3> S+ 0 0 119 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.898 108.8 43.8 -78.1 -41.6 125.3 7.8 33.8 271 275 A L H <> S+ 0 0 40 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.910 109.1 60.6 -67.9 -41.5 124.3 9.9 36.9 272 276 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.922 106.0 44.9 -51.3 -52.2 122.7 12.5 34.7 273 277 A K H X S+ 0 0 29 -4,-1.4 4,-2.9 2,-0.2 5,-0.4 0.878 110.5 52.8 -64.3 -38.7 120.2 10.0 33.2 274 278 A E H X S+ 0 0 78 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.928 114.2 45.2 -61.0 -42.8 119.3 8.4 36.6 275 279 A F H X>S+ 0 0 0 -4,-2.5 5,-1.8 1,-0.2 4,-1.0 0.884 116.6 43.5 -67.1 -41.9 118.6 11.9 37.8 276 280 A L H <>S+ 0 0 1 -4,-2.6 5,-1.9 -5,-0.2 -2,-0.2 0.839 122.9 35.9 -75.5 -33.6 116.6 13.0 34.8 277 281 A E H <5S+ 0 0 12 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.821 129.7 27.5 -90.2 -34.3 114.6 9.8 34.5 278 282 A N H <5S+ 0 0 87 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.397 130.1 29.6-112.9 5.9 114.1 8.8 38.1 279 283 A Y T <5S+ 0 0 36 -4,-1.0 3,-0.3 -5,-0.2 -3,-0.2 0.651 127.6 24.2-127.2 -41.1 114.2 12.1 40.0 280 284 A L T S- 0 0 32 -2,-3.3 4,-2.6 -3,-0.3 5,-0.3 -0.910 89.3-107.2-126.9 154.0 108.5 11.8 37.9 283 287 A D H > S+ 0 0 54 -2,-0.3 4,-1.6 1,-0.3 5,-0.2 0.924 124.4 41.5 -45.4 -52.3 105.2 13.1 39.2 284 288 A E H > S+ 0 0 112 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.812 112.7 56.8 -67.9 -29.4 106.9 14.2 42.4 285 289 A G H > S+ 0 0 4 -3,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.908 108.0 43.3 -69.9 -43.8 109.9 15.6 40.5 286 290 A L H X S+ 0 0 0 -4,-2.6 4,-3.8 -6,-0.3 5,-0.3 0.859 108.4 58.4 -71.5 -35.7 108.0 18.0 38.2 287 291 A E H X S+ 0 0 89 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.814 100.0 60.0 -62.7 -28.4 105.8 19.3 41.0 288 292 A A H < S+ 0 0 17 -4,-0.9 4,-0.4 2,-0.2 -1,-0.2 0.920 115.5 32.0 -65.2 -42.4 108.9 20.3 42.8 289 293 A V H >X S+ 0 0 4 -4,-1.0 4,-2.7 -3,-0.2 3,-1.1 0.895 117.4 55.1 -80.1 -42.6 109.9 22.6 39.9 290 294 A N H 3< S+ 0 0 27 -4,-3.8 -2,-0.2 1,-0.3 -3,-0.2 0.732 105.0 55.3 -62.9 -23.5 106.3 23.5 38.9 291 295 A K T 3< S+ 0 0 141 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.720 112.4 43.8 -81.5 -20.1 105.8 24.6 42.5 292 296 A D T <4 S- 0 0 27 -3,-1.1 -2,-0.2 -4,-0.4 -3,-0.1 0.941 140.6 -10.7 -82.8 -61.9 108.8 27.0 42.1 293 297 A K S < S- 0 0 33 -4,-2.7 -277,-0.5 -277,-0.2 -1,-0.3 -0.960 87.7-103.6-139.7 115.3 108.0 28.3 38.7 294 298 A P - 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0 0 7 -71,-2.9 2,-0.1 -2,-0.2 -1,-0.1 -0.140 27.0-112.4 -64.4 150.6 109.8 25.5 16.8 327 331 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -259,-0.1 -0.481 14.3-146.7 -73.3 159.9 112.2 23.7 14.5 328 332 A N + 0 0 23 -230,-0.1 -260,-0.5 -2,-0.1 -259,-0.4 0.256 50.7 134.0-110.7 8.2 115.4 22.4 16.1 329 333 A I > - 0 0 28 -261,-0.2 3,-2.3 1,-0.1 -260,-0.3 -0.204 69.0-114.9 -58.4 146.8 117.6 22.9 13.1 330 334 A P T > S+ 0 0 37 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.798 110.8 72.5 -50.8 -34.2 121.1 24.6 13.7 331 335 A Q T 3> S+ 0 0 68 1,-0.2 4,-1.4 2,-0.1 3,-0.3 0.612 75.2 85.6 -60.6 -13.3 119.9 27.5 11.6 332 336 A M H <> S+ 0 0 2 -3,-2.3 4,-2.5 1,-0.2 5,-0.3 0.872 80.7 55.9 -60.4 -41.6 117.6 28.7 14.4 333 337 A S H <> S+ 0 0 58 -3,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.903 108.1 50.8 -59.7 -36.2 120.1 30.7 16.3 334 338 A A H > S+ 0 0 41 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.849 109.9 50.8 -67.2 -35.2 120.8 32.7 13.1 335 339 A F H X S+ 0 0 1 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.973 111.5 45.1 -65.6 -56.0 117.0 33.3 12.7 336 340 A W H X S+ 0 0 13 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.818 112.8 53.7 -57.7 -33.2 116.5 34.5 16.3 337 341 A Y H X S+ 0 0 130 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.923 110.9 44.4 -69.3 -44.4 119.5 36.7 15.9 338 342 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.970 115.3 46.3 -63.0 -55.1 118.3 38.3 12.8 339 343 A V H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.830 108.5 58.5 -57.0 -34.9 114.8 38.9 14.0 340 344 A R H X S+ 0 0 45 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.956 109.2 42.9 -61.1 -50.7 116.2 40.2 17.3 341 345 A T H X S+ 0 0 24 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.942 114.1 52.9 -59.8 -48.8 118.1 43.0 15.5 342 346 A A H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.912 110.4 43.6 -53.5 -54.3 115.1 43.7 13.2 343 347 A V H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.878 117.4 47.1 -64.2 -37.1 112.5 44.2 15.9 344 348 A I H X S+ 0 0 42 -4,-1.8 4,-2.2 -5,-0.3 6,-0.3 0.859 115.3 44.1 -73.3 -36.6 114.8 46.3 18.1 345 349 A N H X>S+ 0 0 31 -4,-2.8 4,-1.3 -5,-0.2 6,-1.3 0.905 118.5 44.3 -73.7 -40.8 116.0 48.5 15.2 346 350 A A H <5S+ 0 0 2 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.900 115.7 48.0 -68.9 -40.7 112.5 48.9 13.9 347 351 A A H <5S+ 0 0 11 -4,-2.5 -145,-0.2 -5,-0.3 -2,-0.2 0.950 115.9 43.1 -63.4 -50.9 111.1 49.5 17.4 348 352 A S H <5S- 0 0 51 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.650 113.3-116.6 -69.9 -20.5 113.8 52.1 18.3 349 353 A G T <5S+ 0 0 52 -4,-1.3 -3,-0.2 2,-0.3 -4,-0.1 0.299 80.9 122.4 101.6 -11.1 113.6 53.8 14.9 350 354 A R S - 0 0 70 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.572 41.4-109.4 -85.4 153.5 112.0 51.2 8.9 353 357 A V H > S+ 0 0 15 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.882 121.0 52.9 -50.2 -37.3 110.1 47.9 9.2 354 358 A D H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 111.0 41.4 -65.2 -49.9 111.0 47.4 5.5 355 359 A E H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.942 116.3 50.8 -64.3 -47.2 114.8 47.9 5.8 356 360 A A H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.899 113.2 43.1 -57.6 -47.8 115.0 45.9 9.1 357 361 A L H X S+ 0 0 5 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.883 111.8 54.0 -69.8 -37.2 113.1 42.9 7.8 358 362 A K H X S+ 0 0 125 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.958 111.1 46.2 -58.4 -51.2 115.0 42.9 4.5 359 363 A D H X S+ 0 0 55 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.790 109.7 55.2 -61.0 -31.2 118.3 42.8 6.4 360 364 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.918 108.1 48.3 -67.5 -43.5 116.9 40.1 8.7 361 365 A Q H X S+ 0 0 35 -4,-2.6 4,-2.6 1,-0.2 3,-0.4 0.956 112.7 49.2 -58.4 -51.9 116.2 38.0 5.6 362 366 A T H X S+ 0 0 71 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.901 107.6 52.7 -55.2 -47.9 119.7 38.7 4.3 363 367 A R H < S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.836 115.2 42.7 -60.8 -31.5 121.3 37.8 7.6 364 368 A I H < S+ 0 0 22 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.892 118.7 41.0 -80.7 -39.6 119.5 34.4 7.6 365 369 A T H < 0 0 80 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.696 360.0 360.0 -88.6 -25.8 119.9 33.5 3.9 366 370 A K < 0 0 214 -4,-2.3 -3,-0.1 -5,-0.2 -4,-0.0 0.191 360.0 360.0 -70.1 360.0 123.6 34.6 3.3