==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 30-APR-12 4EXK . COMPND 2 MOLECULE: MALTOSE-BINDING PERIPLASMIC PROTEIN, UNCHARACTERI . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, SALMONELLA ENTERICA . AUTHOR B.NOCEK,C.HATZOS-SKINTGES,R.JEDRZEJCZAK,G.BABNIGG,R.N.BROWN, . 475 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 39 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 0 3 1 1 2 3 0 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 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 . 4 3 0 4 3 0 2 0 1 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 . 3 0 2 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 0 A A 0 0 99 0, 0.0 2,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -51.0 27.1 -24.9 -37.0 2 1 A K - 0 0 66 1,-0.1 2,-0.4 56,-0.0 54,-0.1 -0.394 360.0-123.1 -82.3 139.4 30.7 -26.5 -36.8 3 2 A I + 0 0 39 52,-0.2 2,-0.3 54,-0.2 -1,-0.1 -0.627 46.0 156.8 -70.3 123.0 33.7 -25.5 -34.7 4 3 A E > - 0 0 118 -2,-0.4 3,-1.3 3,-0.3 55,-0.1 -0.989 48.4 -90.4-151.9 145.9 36.7 -24.8 -36.9 5 4 A E T 3 S+ 0 0 142 -2,-0.3 268,-0.1 1,-0.2 3,-0.1 -0.323 109.5 25.4 -51.5 131.6 39.9 -22.9 -36.7 6 5 A G T 3 S+ 0 0 32 1,-0.2 29,-0.5 266,-0.1 2,-0.3 0.496 108.6 74.9 93.9 8.4 39.5 -19.3 -37.9 7 6 A K E < -a 35 0A 24 -3,-1.3 2,-0.4 27,-0.2 -3,-0.3 -0.953 68.4-132.7-146.1 153.0 35.8 -18.8 -37.3 8 7 A L E -a 36 0A 0 27,-3.0 29,-2.9 -2,-0.3 2,-0.5 -0.971 12.4-168.2-118.9 132.7 33.7 -18.2 -34.1 9 8 A V E -a 37 0A 1 -2,-0.4 51,-1.9 27,-0.2 50,-1.8 -0.970 10.8-170.4-116.7 128.6 30.5 -20.0 -33.2 10 9 A I E -ab 38 60A 0 27,-2.8 29,-3.0 -2,-0.5 2,-0.5 -0.955 9.9-157.6-122.2 134.9 28.4 -18.5 -30.3 11 10 A W E +ab 39 61A 20 49,-2.3 51,-2.7 -2,-0.4 2,-0.3 -0.960 21.7 161.3-112.0 132.4 25.4 -20.0 -28.5 12 11 A I - 0 0 4 27,-2.2 51,-0.1 -2,-0.5 32,-0.1 -0.982 44.2 -91.2-145.4 149.6 23.0 -17.7 -26.7 13 12 A N > - 0 0 34 -2,-0.3 3,-1.9 49,-0.2 5,-0.2 -0.335 32.5-120.7 -65.7 149.6 19.4 -18.2 -25.5 14 13 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.1 26,-0.2 4,-0.1 0.558 108.5 63.9 -71.3 -11.5 16.6 -17.3 -27.8 15 14 A D T 3 S+ 0 0 48 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.510 94.4 78.6 -85.2 -4.8 15.1 -14.8 -25.3 16 15 A K S < S- 0 0 24 -3,-1.9 2,-2.4 1,-0.1 3,-0.3 -0.432 102.5 -83.1 -99.8 175.3 18.3 -12.6 -25.5 17 16 A G > + 0 0 1 281,-0.4 4,-2.4 1,-0.2 5,-0.2 -0.346 62.0 151.8 -78.7 62.0 19.5 -10.1 -28.1 18 17 A Y H > S+ 0 0 62 -2,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.811 70.9 53.3 -65.9 -32.4 21.1 -12.6 -30.5 19 18 A N H > S+ 0 0 92 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.912 110.3 47.0 -67.7 -41.5 20.5 -10.3 -33.5 20 19 A G H > S+ 0 0 2 274,-0.2 4,-1.5 2,-0.2 274,-0.2 0.909 110.5 53.0 -66.8 -38.8 22.3 -7.4 -31.8 21 20 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.918 105.0 55.5 -60.9 -40.0 25.1 -9.8 -30.8 22 21 A A H X S+ 0 0 32 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.833 101.8 57.5 -62.0 -33.5 25.4 -10.8 -34.4 23 22 A E H X S+ 0 0 108 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.893 105.5 49.0 -61.7 -41.9 25.9 -7.1 -35.3 24 23 A V H X S+ 0 0 8 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.918 109.3 55.0 -62.1 -44.0 28.9 -7.0 -32.9 25 24 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.888 103.3 54.8 -53.4 -41.0 30.0 -10.2 -34.7 26 25 A K H X S+ 0 0 131 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.869 106.9 50.1 -64.0 -36.5 29.8 -8.4 -38.1 27 26 A K H X S+ 0 0 113 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.915 110.2 49.7 -68.7 -41.8 32.1 -5.7 -36.8 28 27 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 6,-0.5 0.923 111.2 49.9 -60.7 -41.1 34.6 -8.2 -35.6 29 28 A E H X S+ 0 0 83 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.900 107.5 54.2 -65.8 -40.7 34.4 -9.9 -39.0 30 29 A K H < S+ 0 0 130 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 116.0 38.3 -58.9 -45.8 35.0 -6.6 -40.8 31 30 A D H < S+ 0 0 93 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.828 132.9 21.1 -74.0 -36.4 38.1 -5.9 -38.8 32 31 A T H < S- 0 0 55 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.586 90.6-121.6-113.2 -18.9 39.6 -9.5 -38.7 33 32 A G < + 0 0 60 -4,-2.6 2,-0.7 -5,-0.3 -4,-0.2 0.393 69.8 133.9 78.3 -1.1 38.1 -11.6 -41.5 34 33 A I - 0 0 25 -6,-0.5 -1,-0.2 -5,-0.1 2,-0.2 -0.710 53.7-136.6 -85.2 112.0 36.8 -13.9 -38.8 35 34 A K E -a 7 0A 43 -2,-0.7 -27,-3.0 -29,-0.5 2,-0.5 -0.504 14.0-155.3 -66.2 137.3 33.2 -14.9 -39.4 36 35 A V E -a 8 0A 16 -2,-0.2 2,-0.6 -29,-0.2 -27,-0.2 -0.975 7.2-168.0-120.7 116.5 31.0 -14.9 -36.2 37 36 A T E -a 9 0A 46 -29,-2.9 -27,-2.8 -2,-0.5 2,-0.5 -0.935 4.8-158.9-110.9 117.1 28.0 -17.1 -36.3 38 37 A V E +a 10 0A 28 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.885 15.2 179.0 -98.0 123.9 25.4 -16.6 -33.5 39 38 A E E -a 11 0A 48 -29,-3.0 -27,-2.2 -2,-0.5 -2,-0.0 -0.905 21.9-161.5-121.7 155.7 23.0 -19.5 -32.8 40 39 A H - 0 0 82 -2,-0.3 -26,-0.2 -29,-0.2 -29,-0.1 -0.495 20.9-179.2-133.0 61.3 20.2 -20.0 -30.3 41 40 A P > - 0 0 28 0, 0.0 3,-1.1 0, 0.0 -27,-0.2 -0.295 35.1-105.5 -61.6 149.0 19.6 -23.7 -30.1 42 41 A D T 3 S+ 0 0 118 1,-0.2 5,-0.1 2,-0.1 -29,-0.0 -0.411 105.5 13.7 -68.7 149.5 16.9 -24.9 -27.8 43 42 A K T >> S+ 0 0 110 1,-0.1 4,-2.4 -2,-0.1 3,-1.5 0.796 78.8 156.7 56.4 34.3 18.3 -26.5 -24.6 44 43 A L H <> + 0 0 0 -3,-1.1 4,-2.5 1,-0.3 -1,-0.1 0.803 68.9 57.8 -59.5 -33.6 21.8 -25.1 -25.4 45 44 A E H 34 S+ 0 0 28 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.707 111.8 41.2 -71.0 -26.5 22.7 -25.2 -21.7 46 45 A E H <> S+ 0 0 32 -3,-1.5 4,-0.5 2,-0.1 -2,-0.2 0.757 116.7 48.3 -84.8 -39.4 22.0 -29.0 -21.7 47 46 A K H >X S+ 0 0 88 -4,-2.4 4,-1.7 1,-0.2 3,-1.0 0.874 98.4 70.0 -69.3 -40.8 23.6 -29.6 -25.1 48 47 A F H >X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.3 3,-0.5 0.908 99.5 45.0 -49.6 -54.1 26.8 -27.7 -24.3 49 48 A P H 34 S+ 0 0 36 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.758 113.0 53.4 -65.1 -21.0 28.3 -30.2 -21.8 50 49 A Q H << S+ 0 0 45 -3,-1.0 -2,-0.2 -4,-0.5 -3,-0.1 0.804 122.7 24.4 -81.2 -30.0 27.4 -33.0 -24.1 51 50 A V H <<>S+ 0 0 37 -4,-1.7 5,-2.7 -3,-0.5 6,-0.6 0.664 103.5 77.3-109.0 -25.5 29.2 -31.7 -27.2 52 51 A A T ><5S+ 0 0 1 -4,-2.9 3,-0.6 -5,-0.3 5,-0.2 0.868 103.0 37.4 -58.5 -42.5 31.9 -29.3 -25.9 53 52 A A T 3 5S+ 0 0 72 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.1 0.625 113.6 58.4 -85.5 -14.6 34.4 -32.0 -24.8 54 53 A T T 3 5S- 0 0 109 -3,-0.4 -1,-0.2 -4,-0.1 -2,-0.2 0.067 121.7 -96.2-107.9 18.5 33.5 -34.3 -27.8 55 54 A G T < 5S+ 0 0 58 -3,-0.6 -52,-0.2 -4,-0.1 -3,-0.2 0.571 99.9 90.2 85.8 16.6 34.5 -31.8 -30.5 56 55 A D < + 0 0 57 -5,-2.7 -4,-0.3 -8,-0.1 -5,-0.1 0.145 55.6 97.7-134.9 17.5 31.0 -30.3 -31.4 57 56 A G S S- 0 0 1 -6,-0.6 -54,-0.2 -5,-0.2 2,-0.1 -0.293 74.1 -84.5 -95.1-170.8 30.1 -27.2 -29.3 58 57 A P - 0 0 0 0, 0.0 -48,-0.2 0, 0.0 -1,-0.2 -0.461 29.6-123.8 -83.2 163.7 30.3 -23.5 -29.8 59 58 A D S S+ 0 0 0 -50,-1.8 209,-2.6 1,-0.2 2,-0.4 0.836 101.1 29.8 -69.4 -37.0 33.5 -21.5 -29.2 60 59 A I E -bC 10 267A 0 -51,-1.9 -49,-2.3 207,-0.2 2,-0.4 -0.993 69.9-163.8-128.5 133.5 31.5 -19.3 -26.8 61 60 A I E -bC 11 266A 0 205,-2.3 205,-2.8 -2,-0.4 2,-0.5 -0.982 4.9-159.5-117.8 129.7 28.5 -20.2 -24.6 62 61 A F E + C 0 265A 4 -51,-2.7 2,-0.3 -2,-0.4 -49,-0.2 -0.918 33.0 125.7-105.3 131.4 26.2 -17.6 -23.0 63 62 A W E - C 0 264A 52 201,-1.9 201,-2.5 -2,-0.5 -2,-0.0 -0.954 65.9 -71.7-163.4 166.4 24.0 -18.5 -20.1 64 63 A A E > - C 0 263A 15 -2,-0.3 3,-1.5 199,-0.3 4,-0.3 -0.370 54.5-108.3 -60.0 154.8 23.3 -17.3 -16.6 65 64 A H G >> S+ 0 0 0 197,-1.5 3,-1.4 1,-0.3 4,-0.5 0.658 105.5 82.3 -65.5 -18.5 26.3 -18.1 -14.3 66 65 A D G 34 S+ 0 0 14 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.785 90.8 51.3 -60.3 -29.7 24.4 -20.8 -12.3 67 66 A R G <> S+ 0 0 35 -3,-1.5 4,-1.2 1,-0.2 -1,-0.3 0.640 93.6 76.9 -75.7 -17.6 25.2 -23.4 -15.1 68 67 A F H <> S+ 0 0 1 -3,-1.4 4,-2.5 -4,-0.3 5,-0.2 0.781 79.9 62.4 -80.3 -27.0 28.9 -22.7 -15.2 69 68 A G H X S+ 0 0 0 264,-1.0 4,-2.8 -4,-0.5 -1,-0.2 0.906 105.3 49.9 -61.4 -42.1 30.3 -24.4 -12.1 70 69 A G H > S+ 0 0 18 263,-0.4 4,-1.4 264,-0.3 -1,-0.2 0.931 111.7 47.8 -62.2 -41.4 29.1 -27.7 -13.5 71 70 A Y H <>S+ 0 0 4 -4,-1.2 5,-2.4 1,-0.2 6,-0.3 0.922 113.2 48.3 -62.7 -42.8 30.8 -27.0 -16.8 72 71 A A H ><5S+ 0 0 23 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.914 106.4 56.0 -65.4 -43.6 34.0 -26.0 -15.0 73 72 A Q H 3<5S+ 0 0 122 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.857 108.2 50.0 -56.8 -35.8 34.0 -29.1 -12.8 74 73 A S T 3<5S- 0 0 83 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.422 117.4-114.8 -82.5 -2.6 33.9 -31.2 -16.0 75 74 A G T < 5S+ 0 0 52 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.687 77.1 128.6 76.7 23.0 36.8 -29.3 -17.5 76 75 A L < + 0 0 9 -5,-2.4 193,-2.7 -6,-0.2 194,-0.4 0.625 52.0 71.8 -85.2 -13.4 34.8 -27.8 -20.3 77 76 A L B S-F 268 0B 19 -6,-0.3 191,-0.2 191,-0.3 2,-0.2 -0.868 75.0-125.5-113.7 134.4 35.7 -24.1 -19.8 78 77 A A - 0 0 12 189,-3.1 189,-0.4 -2,-0.4 2,-0.2 -0.515 38.4-107.7 -69.8 138.6 38.9 -22.2 -20.5 79 78 A E - 0 0 88 -2,-0.2 2,-0.5 187,-0.1 26,-0.2 -0.526 30.7-137.0 -66.3 137.0 40.2 -20.3 -17.5 80 79 A I + 0 0 1 24,-2.7 24,-0.5 -2,-0.2 26,-0.1 -0.856 29.4 169.0-101.1 124.5 39.7 -16.5 -18.0 81 80 A T + 0 0 95 -2,-0.5 3,-0.1 22,-0.1 -2,-0.0 -0.466 11.3 177.4-136.8 63.3 42.6 -14.3 -16.9 82 81 A P - 0 0 10 0, 0.0 -2,-0.0 0, 0.0 196,-0.0 -0.254 39.0 -90.5 -69.3 157.2 42.1 -10.8 -18.1 83 82 A A >> - 0 0 68 1,-0.1 4,-2.6 4,-0.0 3,-0.6 -0.264 37.1-112.2 -58.1 150.2 44.5 -8.0 -17.3 84 83 A A H 3> S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 117.8 59.2 -52.1 -40.6 43.8 -6.0 -14.1 85 84 A A H 34 S+ 0 0 60 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.877 109.8 43.4 -60.3 -39.5 42.9 -2.9 -16.2 86 85 A F H X4 S+ 0 0 24 -3,-0.6 3,-1.8 2,-0.2 4,-0.4 0.926 110.6 53.9 -70.6 -46.2 40.1 -5.0 -17.9 87 86 A Q H >< S+ 0 0 62 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.897 103.1 58.6 -52.3 -42.2 38.9 -6.6 -14.7 88 87 A D T 3< S+ 0 0 110 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.564 92.6 68.3 -67.0 -12.3 38.6 -3.1 -13.2 89 88 A K T < S+ 0 0 116 -3,-1.8 217,-2.3 -4,-0.2 218,-0.4 0.598 97.0 62.4 -79.8 -14.6 36.1 -2.1 -16.0 90 89 A L B < S-G 305 0C 1 -3,-1.6 215,-0.2 -4,-0.4 214,-0.1 -0.848 97.9 -94.0-115.2 150.0 33.5 -4.6 -14.6 91 90 A Y >> - 0 0 58 213,-2.0 4,-1.3 -2,-0.3 3,-1.2 -0.394 31.8-129.5 -61.2 135.0 31.7 -4.6 -11.2 92 91 A P H 3> S+ 0 0 86 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.850 105.7 58.7 -54.5 -37.0 33.5 -6.8 -8.6 93 92 A F H 3> S+ 0 0 85 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.809 101.4 56.0 -68.8 -24.4 30.3 -8.7 -7.6 94 93 A T H <> S+ 0 0 0 -3,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.907 105.9 49.7 -73.0 -39.2 29.9 -9.8 -11.2 95 94 A W H >< S+ 0 0 9 -4,-1.3 3,-1.0 1,-0.2 -2,-0.2 0.908 105.1 59.3 -61.2 -36.4 33.4 -11.3 -11.3 96 95 A D H >< S+ 0 0 89 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.892 99.3 57.6 -59.9 -36.1 32.5 -13.1 -8.1 97 96 A A H 3< S+ 0 0 7 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.772 109.1 45.0 -64.8 -28.8 29.5 -14.8 -9.8 98 97 A V T << S+ 0 0 1 -3,-1.0 7,-2.8 -4,-0.8 2,-0.5 0.159 88.8 106.4-107.8 20.5 31.9 -16.3 -12.4 99 98 A R E < +H 104 0D 99 -3,-1.4 2,-0.4 5,-0.2 5,-0.2 -0.850 42.9 176.1-101.5 130.6 34.6 -17.5 -10.0 100 99 A Y E > -H 103 0D 48 3,-3.1 3,-1.9 -2,-0.5 -3,-0.0 -0.985 69.3 -13.0-140.3 122.2 34.7 -21.2 -9.3 101 100 A N T 3 S- 0 0 143 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.896 130.4 -53.6 52.8 40.2 37.3 -23.0 -7.2 102 101 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.320 118.7 105.0 80.8 0.5 39.3 -19.7 -7.2 103 102 A K E < S-H 100 0D 106 -3,-1.9 -3,-3.1 -22,-0.0 2,-0.5 -0.864 73.7-120.6-116.7 138.6 39.4 -19.4 -11.0 104 103 A L E +H 99 0D 15 -24,-0.5 -24,-2.7 -2,-0.4 -5,-0.2 -0.696 31.0 178.6 -74.7 127.0 37.4 -17.1 -13.3 105 104 A I + 0 0 8 -7,-2.8 162,-0.3 -2,-0.5 2,-0.3 0.318 58.4 6.9-115.5 -2.5 35.5 -19.4 -15.6 106 105 A A S S- 0 0 0 -8,-0.4 160,-0.2 160,-0.2 -1,-0.2 -0.974 74.4 -98.6-168.6 165.8 33.5 -16.8 -17.8 107 106 A Y E -D 265 0A 1 158,-2.6 158,-2.5 -2,-0.3 2,-0.2 -0.908 37.8-128.7 -95.7 127.0 33.1 -13.1 -18.6 108 107 A P E +D 264 0A 0 0, 0.0 156,-0.2 0, 0.0 3,-0.1 -0.554 31.3 170.3 -74.0 142.4 30.2 -11.4 -16.8 109 108 A I E - 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0 0 2 -3,-1.9 3,-0.6 -212,-0.2 -212,-0.0 -0.458 55.3-153.1 -65.5 137.9 38.0 -24.4 -28.9 272 271 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -266,-0.1 0.369 94.8 60.2 -88.3 7.4 40.9 -23.9 -31.3 273 272 A N T 3> + 0 0 6 -5,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.085 60.0 130.6-122.5 31.5 40.0 -20.2 -31.3 274 273 A K H <> S+ 0 0 74 -3,-0.6 4,-2.2 1,-0.2 5,-0.2 0.887 76.1 48.7 -58.1 -43.3 40.4 -19.3 -27.6 275 274 A E H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 112.0 48.1 -65.2 -43.5 42.4 -16.2 -28.3 276 275 A L H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.889 110.9 52.9 -59.5 -43.0 40.0 -14.9 -31.0 277 276 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.921 109.4 48.2 -60.3 -44.8 37.1 -15.6 -28.5 278 277 A K H X S+ 0 0 62 -4,-2.2 4,-2.8 -5,-0.2 5,-0.4 0.905 111.6 49.9 -62.3 -42.4 38.8 -13.6 -25.8 279 278 A E H X>S+ 0 0 75 -4,-2.1 4,-2.4 2,-0.2 5,-0.5 0.935 111.3 49.2 -62.7 -45.4 39.5 -10.7 -28.3 280 279 A F H X>S+ 0 0 0 -4,-2.6 5,-2.6 3,-0.2 4,-1.5 0.952 117.0 40.8 -57.4 -51.5 35.8 -10.7 -29.4 281 280 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 3,-0.2 -2,-0.2 0.943 124.2 34.7 -67.1 -47.4 34.5 -10.7 -25.8 282 281 A E H <5S+ 0 0 42 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.860 129.0 31.6 -76.7 -36.1 37.0 -8.2 -24.3 283 282 A N H <5S+ 0 0 94 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.642 132.3 20.6-105.3 -17.7 37.5 -5.8 -27.3 284 283 A Y T < S- 0 0 41 -2,-2.2 4,-2.5 -3,-0.4 5,-0.4 -0.903 90.6-105.5-132.8 162.4 32.5 -2.1 -24.7 288 287 A D H > S+ 0 0 65 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.944 122.0 45.9 -55.7 -46.7 29.9 0.6 -24.6 289 288 A E H > S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.861 112.6 48.8 -66.5 -40.7 29.2 0.2 -28.3 290 289 A G H > S+ 0 0 4 -6,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.944 113.8 44.2 -67.9 -48.0 29.0 -3.6 -28.2 291 290 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -6,-0.4 5,-0.2 0.887 110.7 56.9 -66.5 -36.7 26.7 -3.8 -25.2 292 291 A E H X S+ 0 0 80 -4,-2.2 4,-2.3 -5,-0.4 -1,-0.2 0.894 103.9 52.9 -58.3 -43.9 24.5 -1.1 -26.7 293 292 A A H X S+ 0 0 19 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.907 114.5 41.1 -60.5 -38.8 24.1 -3.1 -29.9 294 293 A V H >X S+ 0 0 6 -4,-1.6 4,-2.0 -274,-0.2 3,-1.0 0.945 114.9 52.0 -72.7 -46.7 22.9 -6.2 -27.9 295 294 A N H 3< S+ 0 0 26 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.831 102.6 58.4 -60.2 -35.5 20.7 -4.0 -25.5 296 295 A K H 3< S+ 0 0 156 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.741 110.2 45.1 -67.3 -27.5 19.0 -2.2 -28.4 297 296 A D H << S- 0 0 41 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.1 0.954 140.2 -10.4 -75.3 -68.7 17.8 -5.7 -29.5 298 297 A K S < S- 0 0 39 -4,-2.0 -281,-0.4 -281,-0.1 -1,-0.3 -0.990 86.2-105.7-130.3 126.6 16.7 -7.0 -26.1 299 298 A P - 0 0 13 0, 0.0 -66,-0.1 0, 0.0 -4,-0.1 -0.238 22.6-155.0 -56.5 137.0 17.6 -5.2 -22.9 300 299 A L - 0 0 9 1,-0.3 2,-0.4 -9,-0.1 -37,-0.2 0.668 29.2-130.3 -79.3 -24.7 20.3 -6.8 -21.0 301 300 A G - 0 0 1 -71,-0.2 2,-1.0 -191,-0.1 -1,-0.3 -0.834 69.7 -6.3 98.7-148.6 19.5 -5.5 -17.5 302 301 A A E S-E 111 0A 4 -191,-2.0 -191,-2.5 -2,-0.4 7,-0.1 -0.719 84.3-137.5 -88.0 103.1 22.1 -3.9 -15.3 303 302 A V E -E 110 0A 2 -2,-1.0 -193,-0.3 -193,-0.2 -212,-0.1 -0.182 9.1-131.6 -71.7 156.8 25.3 -4.5 -17.3 304 303 A A S S+ 0 0 0 -195,-2.6 -213,-2.0 -214,-0.1 2,-0.6 0.728 85.2 92.0 -74.0 -26.1 28.6 -5.6 -15.7 305 304 A L B > -G 90 0C 6 -196,-0.5 4,-2.7 -215,-0.2 3,-0.4 -0.658 68.5-152.8 -79.3 112.7 30.5 -2.8 -17.6 306 305 A K H > S+ 0 0 66 -217,-2.3 4,-2.3 -2,-0.6 5,-0.2 0.876 89.2 57.3 -58.3 -40.9 30.6 0.2 -15.3 307 306 A S H > S+ 0 0 45 -218,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.909 115.6 36.1 -63.8 -37.3 30.9 2.8 -18.1 308 307 A Y H >> S+ 0 0 9 -3,-0.4 4,-2.1 2,-0.2 3,-0.8 0.892 113.0 57.6 -83.2 -38.4 27.7 1.7 -19.7 309 308 A E H 3X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.3 -2,-0.2 0.856 96.2 64.4 -62.3 -32.5 25.8 0.8 -16.5 310 309 A E H 3< S+ 0 0 135 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.3 0.866 108.0 42.2 -61.3 -34.2 26.3 4.4 -15.3 311 310 A E H X< S+ 0 0 112 -3,-0.8 3,-1.0 -4,-0.5 4,-0.3 0.925 115.4 47.3 -73.8 -48.7 24.2 5.4 -18.2 312 311 A L H >< S+ 0 0 20 -4,-2.1 3,-2.2 1,-0.2 6,-0.3 0.824 95.6 75.6 -62.3 -31.8 21.5 2.7 -17.9 313 312 A A T 3< S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.700 84.3 65.7 -59.8 -24.3 21.2 3.2 -14.1 314 313 A K T < S+ 0 0 89 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.1 0.673 79.6 97.3 -66.4 -27.0 19.1 6.4 -14.8 315 314 A D S X> S- 0 0 39 -3,-2.2 4,-2.3 -4,-0.3 3,-1.0 -0.585 73.3-142.9 -70.2 121.6 16.3 4.2 -16.3 316 315 A P H 3> S+ 0 0 98 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.793 101.2 59.9 -59.7 -25.9 13.6 3.5 -13.7 317 316 A R H 3> S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.866 107.9 44.4 -67.5 -35.2 13.2 0.0 -15.1 318 317 A I H <> S+ 0 0 4 -3,-1.0 4,-2.6 -6,-0.3 5,-0.2 0.879 110.1 54.5 -74.6 -42.0 16.8 -0.7 -14.3 319 318 A A H X S+ 0 0 50 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.931 110.4 46.9 -58.1 -44.2 16.5 0.9 -10.9 320 319 A A H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.907 109.7 53.8 -63.2 -42.1 13.6 -1.5 -10.3 321 320 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.924 111.2 46.2 -55.2 -47.3 15.6 -4.5 -11.6 322 321 A M H X S+ 0 0 39 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.856 109.9 54.0 -68.6 -36.5 18.4 -3.6 -9.1 323 322 A E H X S+ 0 0 89 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.941 111.1 44.2 -61.2 -47.2 16.0 -3.2 -6.3 324 323 A N H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.911 112.3 54.8 -65.3 -37.3 14.5 -6.6 -6.8 325 324 A A H >< S+ 0 0 14 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.934 106.0 50.8 -61.0 -43.4 18.1 -8.0 -7.2 326 325 A Q H 3< S+ 0 0 167 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.798 108.2 53.0 -70.6 -24.9 19.1 -6.6 -3.9 327 326 A K H 3< S+ 0 0 74 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.616 114.7 45.7 -80.6 -16.6 16.1 -8.2 -2.2 328 327 A G S << S- 0 0 6 -3,-1.1 2,-0.4 -4,-0.8 -69,-0.2 -0.034 90.3 -97.2-105.0-149.4 17.0 -11.6 -3.6 329 328 A E E -o 259 0I 132 -71,-2.1 -69,-2.9 -72,-0.1 2,-0.2 -0.999 25.2-110.6-142.1 140.2 20.2 -13.6 -3.9 330 329 A I E -o 260 0I 58 -2,-0.4 -69,-0.2 -71,-0.2 -71,-0.1 -0.512 50.2-109.5 -65.7 129.9 22.9 -14.1 -6.5 331 330 A M - 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