==== 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 1N3X . 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) . 16293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 70.2 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 . 40 10.9 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 . 17 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 2 0 2 1 0 3 3 1 0 2 0 1 1 0 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 . 2 4 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 . 3 1 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 0 203 0, 0.0 2,-0.3 0, 0.0 54,-0.2 0.000 360.0 360.0 360.0-142.3 -15.4 11.6 5.4 2 2 A I - 0 0 19 52,-0.8 53,-0.0 263,-0.3 52,-0.0 -0.488 360.0-108.1 -69.7 127.4 -11.7 11.1 4.8 3 3 A E - 0 0 131 -2,-0.3 3,-0.4 1,-0.1 2,-0.4 -0.189 32.3-133.5 -53.3 142.1 -10.5 13.0 1.7 4 4 A E S S+ 0 0 149 1,-0.2 3,-0.1 263,-0.1 -1,-0.1 -0.811 80.8 32.5-103.4 143.3 -9.7 10.8 -1.3 5 5 A G S S+ 0 0 36 -2,-0.4 29,-0.4 1,-0.3 2,-0.3 0.574 108.5 65.8 93.1 9.7 -6.5 11.2 -3.3 6 6 A K S S- 0 0 36 -3,-0.4 2,-0.4 27,-0.2 -1,-0.3 -0.937 72.2-121.7-151.4 172.1 -4.3 12.3 -0.5 7 7 A L E -a 35 0A 0 27,-2.2 29,-2.9 -2,-0.3 2,-0.5 -0.981 16.2-170.2-128.0 123.3 -2.7 11.0 2.7 8 8 A V E -a 36 0A 22 -2,-0.4 50,-2.0 27,-0.2 51,-1.7 -0.950 14.1-164.5-111.3 127.3 -3.1 12.6 6.1 9 9 A I E -ab 37 59A 0 27,-3.4 29,-3.4 -2,-0.5 2,-0.5 -0.908 9.8-155.9-117.9 141.6 -0.9 11.3 8.9 10 10 A W E +ab 38 60A 25 49,-2.3 51,-2.6 -2,-0.4 2,-0.3 -0.957 22.5 158.5-116.1 129.5 -1.0 11.6 12.7 11 11 A I - 0 0 5 27,-1.9 51,-0.1 -2,-0.5 4,-0.0 -0.988 43.2 -94.3-147.8 147.2 2.1 11.2 14.9 12 12 A N > - 0 0 37 49,-0.4 3,-1.6 -2,-0.3 5,-0.3 -0.229 31.8-116.8 -64.6 152.4 2.9 12.4 18.4 13 13 A G T 3 S+ 0 0 27 1,-0.3 -1,-0.1 27,-0.2 4,-0.1 0.629 110.2 64.5 -63.6 -17.5 4.6 15.7 19.0 14 14 A D T 3 S+ 0 0 89 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.303 95.0 80.1 -89.4 10.8 7.7 14.1 20.6 15 15 A K S < S- 0 0 50 -3,-1.6 2,-1.5 -4,-0.0 3,-0.3 -0.550 98.9 -90.2-109.9 176.3 8.5 12.3 17.3 16 16 A G > + 0 0 1 277,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.361 59.2 150.7 -85.7 59.2 10.2 13.4 14.1 17 17 A Y H > S+ 0 0 58 -2,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.855 72.3 56.0 -58.1 -36.2 7.1 14.7 12.3 18 18 A N H > S+ 0 0 86 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.942 109.8 45.3 -62.0 -44.9 9.2 17.2 10.4 19 19 A G H > S+ 0 0 5 270,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.866 111.0 52.8 -65.9 -35.3 11.4 14.4 9.1 20 20 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.895 104.4 56.9 -65.6 -37.5 8.4 12.3 8.3 21 21 A A H X S+ 0 0 30 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.866 101.6 57.5 -59.9 -36.5 7.1 15.3 6.3 22 22 A E H X S+ 0 0 100 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.938 106.7 46.2 -59.7 -48.3 10.3 15.1 4.3 23 23 A V H X S+ 0 0 8 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.866 110.5 55.8 -62.0 -35.2 9.6 11.5 3.3 24 24 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.897 105.0 51.1 -63.5 -41.1 6.0 12.7 2.5 25 25 A K H X S+ 0 0 106 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.887 108.4 52.0 -63.2 -41.3 7.4 15.4 0.1 26 26 A K H X S+ 0 0 103 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.855 108.0 51.8 -63.7 -35.9 9.5 12.7 -1.6 27 27 A F H < S+ 0 0 0 -4,-1.7 6,-0.3 1,-0.2 5,-0.3 0.915 109.1 51.2 -65.9 -41.8 6.4 10.6 -2.0 28 28 A E H >X S+ 0 0 88 -4,-2.0 4,-2.3 3,-0.2 3,-1.1 0.821 102.5 61.4 -64.2 -34.4 4.6 13.6 -3.6 29 29 A K H 3< S+ 0 0 163 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.977 113.7 31.3 -57.5 -60.0 7.4 14.2 -6.0 30 30 A D T 3< S+ 0 0 97 -4,-1.4 -1,-0.3 1,-0.1 -2,-0.2 -0.044 132.6 31.4 -95.0 32.0 7.1 10.9 -7.8 31 31 A T T <4 S- 0 0 67 -3,-1.1 -3,-0.2 2,-0.1 -2,-0.2 0.413 88.6-129.5-147.9 -30.5 3.4 10.3 -7.4 32 32 A G < + 0 0 60 -4,-2.3 2,-0.4 1,-0.3 -4,-0.2 0.297 68.3 124.6 92.8 -11.2 1.6 13.7 -7.3 33 33 A I - 0 0 34 -6,-0.3 -1,-0.3 -27,-0.1 2,-0.2 -0.711 57.5-134.4 -85.4 129.4 -0.2 12.8 -4.1 34 34 A K - 0 0 108 -2,-0.4 -27,-2.2 -29,-0.4 2,-0.5 -0.573 11.6-152.6 -84.6 147.1 0.2 15.2 -1.2 35 35 A V E -a 7 0A 20 -2,-0.2 2,-0.5 -29,-0.2 -27,-0.2 -0.975 5.9-163.0-122.6 119.5 1.0 14.0 2.3 36 36 A T E -a 8 0A 47 -29,-2.9 -27,-3.4 -2,-0.5 2,-0.5 -0.893 3.8-159.0-105.6 122.4 -0.0 16.0 5.3 37 37 A V E +a 9 0A 30 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.876 15.1 177.2-103.5 125.7 1.6 15.3 8.6 38 38 A E E -a 10 0A 81 -29,-3.4 -27,-1.9 -2,-0.5 -2,-0.0 -0.878 20.1-166.7-124.4 157.2 -0.2 16.4 11.8 39 39 A H + 0 0 79 -2,-0.3 -26,-0.1 -29,-0.2 -29,-0.1 -0.482 19.7 177.3-143.2 68.0 0.5 16.1 15.5 40 40 A P > - 0 0 29 0, 0.0 3,-0.8 0, 0.0 -27,-0.2 -0.226 36.1 -96.8 -69.7 161.7 -2.5 17.0 17.6 41 41 A D T 3 S+ 0 0 133 1,-0.3 5,-0.1 2,-0.1 4,-0.0 -0.562 105.0 9.1 -81.0 144.1 -2.7 16.7 21.3 42 42 A K T >> S+ 0 0 150 -2,-0.2 4,-2.0 1,-0.1 3,-1.6 0.852 78.2 156.6 54.5 38.9 -4.2 13.6 22.9 43 43 A L H <> + 0 0 0 -3,-0.8 4,-2.6 1,-0.3 -2,-0.1 0.836 67.7 62.5 -63.2 -32.2 -4.3 12.1 19.4 44 44 A E H 34 S+ 0 0 43 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.669 111.5 40.7 -66.7 -13.1 -4.4 8.6 21.0 45 45 A E H <> S+ 0 0 89 -3,-1.6 4,-0.7 2,-0.1 -2,-0.2 0.737 114.8 49.1-101.9 -34.1 -7.7 9.8 22.5 46 46 A K H >X S+ 0 0 87 -4,-2.0 4,-2.6 2,-0.2 3,-0.7 0.889 97.6 67.9 -74.9 -40.7 -9.1 11.6 19.4 47 47 A F H 3X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.4 0.901 99.2 50.7 -45.5 -52.7 -8.5 8.8 16.9 48 48 A P H 3> S+ 0 0 35 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.850 113.3 46.8 -55.6 -37.6 -11.1 6.5 18.5 49 49 A Q H << S+ 0 0 138 -3,-0.7 4,-0.3 -4,-0.7 -2,-0.2 0.927 118.9 36.9 -72.8 -46.3 -13.7 9.3 18.5 50 50 A V H ><>S+ 0 0 42 -4,-2.6 5,-2.5 1,-0.2 3,-1.0 0.852 114.8 53.8 -77.5 -34.1 -13.2 10.5 14.9 51 51 A A H ><5S+ 0 0 7 -4,-3.1 3,-2.1 -5,-0.4 -1,-0.2 0.864 97.9 66.0 -68.4 -33.6 -12.6 7.0 13.4 52 52 A A T 3<5S+ 0 0 75 -4,-1.1 -1,-0.2 -5,-0.4 -2,-0.2 0.699 104.6 45.5 -61.3 -18.6 -15.8 5.8 14.9 53 53 A T T < 5S- 0 0 89 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.039 127.1 -95.9-111.6 24.8 -17.7 8.2 12.5 54 54 A G T < 5S+ 0 0 11 -3,-2.1 -52,-0.8 1,-0.2 -3,-0.2 0.677 93.6 103.9 72.2 17.4 -15.7 7.3 9.4 55 55 A D < + 0 0 62 -5,-2.5 -1,-0.2 -54,-0.2 210,-0.2 -0.360 33.3 78.9-114.1-164.4 -13.3 10.3 9.9 56 56 A G S S- 0 0 21 -2,-0.1 -48,-0.1 -3,-0.1 -9,-0.0 -0.415 81.2 -35.7 97.1-173.5 -9.7 10.9 11.1 57 57 A P - 0 0 0 0, 0.0 -48,-0.2 0, 0.0 206,-0.1 -0.273 45.4-124.8 -80.0 169.4 -6.3 10.4 9.4 58 58 A D S S+ 0 0 1 -50,-2.0 205,-3.0 1,-0.2 2,-0.4 0.883 97.7 29.2 -78.9 -41.6 -5.4 7.7 6.9 59 59 A I E -bC 9 262A 0 -51,-1.7 -49,-2.3 203,-0.2 2,-0.4 -0.964 68.0-165.9-124.0 135.3 -2.4 6.6 9.0 60 60 A I E -bC 10 261A 0 201,-2.1 201,-3.0 -2,-0.4 2,-0.5 -0.980 6.7-154.6-124.2 133.0 -1.9 6.8 12.8 61 61 A F E + C 0 260A 6 -51,-2.6 -49,-0.4 -2,-0.4 2,-0.3 -0.903 36.1 125.4-104.7 124.5 1.5 6.4 14.6 62 62 A W E - C 0 259A 41 197,-2.2 197,-3.1 -2,-0.5 5,-0.1 -0.981 63.6 -64.0-165.6 171.2 1.4 5.3 18.2 63 63 A A E > - C 0 258A 31 -2,-0.3 3,-1.2 195,-0.2 4,-0.5 -0.355 49.8-122.9 -62.0 145.8 2.7 2.7 20.7 64 64 A H G >> S+ 0 0 1 193,-1.6 3,-1.3 1,-0.2 4,-0.7 0.817 101.4 74.1 -62.2 -37.3 1.5 -0.8 19.8 65 65 A D G 34 S+ 0 0 47 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.654 97.0 52.3 -54.3 -15.8 -0.2 -1.5 23.1 66 66 A R G X> S+ 0 0 69 -3,-1.2 4,-1.2 1,-0.1 3,-0.9 0.765 92.2 71.5 -91.6 -29.4 -3.0 0.9 22.1 67 67 A F H <> S+ 0 0 2 -3,-1.3 4,-2.3 -4,-0.5 5,-0.2 0.736 84.5 70.5 -60.7 -24.2 -3.8 -0.6 18.7 68 68 A G H 3X S+ 0 0 0 -4,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.914 101.4 43.7 -61.1 -42.2 -5.4 -3.6 20.3 69 69 A G H <> S+ 0 0 22 -3,-0.9 4,-1.1 -4,-0.3 -1,-0.2 0.874 111.8 53.1 -69.9 -37.8 -8.3 -1.6 21.5 70 70 A Y H <>S+ 0 0 6 -4,-1.2 5,-2.6 1,-0.2 6,-0.4 0.881 109.4 49.6 -64.0 -38.5 -8.6 0.2 18.2 71 71 A A H ><5S+ 0 0 17 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.874 102.0 62.4 -68.2 -37.5 -8.7 -3.2 16.4 72 72 A Q H 3<5S+ 0 0 117 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.828 106.6 45.0 -57.1 -34.3 -11.4 -4.4 18.7 73 73 A S T 3<5S- 0 0 86 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.213 118.8-111.4 -95.3 14.0 -13.7 -1.7 17.5 74 74 A G T < 5S+ 0 0 51 -3,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.799 78.7 130.2 62.2 33.1 -12.8 -2.3 13.8 75 75 A L < + 0 0 17 -5,-2.6 189,-3.2 -6,-0.1 2,-0.4 0.717 55.4 68.2 -88.4 -22.5 -11.0 1.0 13.5 76 76 A L B S-F 263 0B 16 -6,-0.4 2,-0.3 187,-0.2 187,-0.2 -0.827 77.5-131.4-104.8 137.4 -7.8 -0.5 11.9 77 77 A A - 0 0 14 185,-3.1 185,-0.4 -2,-0.4 2,-0.3 -0.622 29.5-111.7 -83.7 140.8 -7.5 -2.1 8.5 78 78 A E - 0 0 102 -2,-0.3 2,-0.3 183,-0.1 26,-0.2 -0.549 32.9-143.4 -71.2 130.4 -5.8 -5.4 8.3 79 79 A I - 0 0 8 24,-2.2 24,-0.4 -2,-0.3 26,-0.1 -0.690 10.7-161.8 -95.7 153.2 -2.5 -5.1 6.5 80 80 A T + 0 0 102 -2,-0.3 2,-0.2 22,-0.1 -2,-0.0 -0.568 14.4 173.7-135.3 71.6 -1.2 -7.8 4.2 81 81 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 22,-0.1 -0.531 35.1-112.3 -76.8 146.4 2.6 -7.4 3.5 82 82 A D >> - 0 0 89 -2,-0.2 4,-2.4 1,-0.1 3,-0.7 -0.370 27.5-104.8 -77.2 159.2 4.2 -10.2 1.6 83 83 A K H 3> S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.857 119.6 60.6 -48.7 -41.4 6.7 -12.7 3.1 84 84 A A H 34 S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.911 109.9 39.6 -55.7 -46.5 9.5 -10.8 1.2 85 85 A F H X4 S+ 0 0 15 -3,-0.7 3,-1.8 1,-0.2 4,-0.3 0.883 109.5 61.4 -71.7 -38.7 8.7 -7.6 3.0 86 86 A Q H >< S+ 0 0 51 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.854 97.0 58.2 -56.4 -38.6 8.1 -9.2 6.3 87 87 A D T 3< S+ 0 0 81 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.560 89.0 76.4 -70.5 -7.3 11.6 -10.6 6.5 88 88 A K T < S+ 0 0 119 -3,-1.8 213,-1.9 -4,-0.2 214,-0.4 0.683 95.0 56.2 -75.4 -17.6 12.9 -7.1 6.3 89 89 A L B < S-G 300 0C 1 -3,-1.5 211,-0.2 -4,-0.3 210,-0.1 -0.802 102.6 -85.6-116.4 157.1 12.0 -6.5 9.9 90 90 A Y >> - 0 0 39 209,-1.8 3,-1.5 -2,-0.3 4,-0.6 -0.395 39.9-126.3 -60.6 128.7 12.9 -8.3 13.1 91 91 A P H >> S+ 0 0 86 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.835 104.8 54.3 -42.6 -49.3 10.5 -11.3 13.7 92 92 A F H >4 S+ 0 0 36 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.750 93.9 68.2 -66.0 -24.2 9.4 -10.3 17.2 93 93 A T H X> S+ 0 0 1 -3,-1.5 3,-0.6 1,-0.2 4,-0.5 0.782 95.4 59.1 -66.3 -22.0 8.3 -6.8 16.2 94 94 A W H X< S+ 0 0 8 -3,-1.4 3,-0.6 -4,-0.6 -1,-0.2 0.787 94.1 61.7 -76.0 -27.5 5.5 -8.5 14.2 95 95 A D G X< S+ 0 0 65 -3,-0.7 3,-0.6 -4,-0.5 -1,-0.2 0.655 97.5 63.0 -71.9 -11.5 4.1 -10.2 17.3 96 96 A A G <4 S+ 0 0 1 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.809 105.3 41.8 -80.5 -31.3 3.5 -6.7 18.6 97 97 A V G << S+ 0 0 2 -3,-0.6 7,-2.9 -4,-0.5 8,-0.6 -0.079 91.1 111.4-106.8 31.3 1.1 -5.7 15.9 98 98 A R E < +H 103 0D 64 -3,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.906 38.4 175.2-110.7 130.8 -0.9 -8.9 15.9 99 99 A Y E > S-H 102 0D 51 3,-2.6 3,-0.6 -2,-0.5 -3,-0.0 -0.964 71.2 -16.7-139.1 121.0 -4.4 -9.1 17.1 100 100 A N T 3 S- 0 0 136 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.830 130.6 -50.2 56.3 34.4 -6.6 -12.2 16.9 101 101 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.753 117.3 108.3 78.3 26.3 -4.2 -13.6 14.4 102 102 A K E < S-H 99 0D 104 -3,-0.6 -3,-2.6 -22,-0.0 2,-0.6 -0.995 71.0-119.3-138.4 142.8 -4.1 -10.6 12.1 103 103 A L E +H 98 0D 25 -24,-0.4 -24,-2.2 -2,-0.4 -5,-0.2 -0.692 33.6 171.0 -79.1 119.9 -1.5 -8.0 11.3 104 104 A I + 0 0 10 -7,-2.9 158,-0.4 -2,-0.6 2,-0.3 0.383 57.7 12.1-111.5 2.4 -3.0 -4.6 12.3 105 105 A A S S- 0 0 0 -8,-0.6 156,-0.2 156,-0.2 -1,-0.1 -0.989 71.0-102.9-167.3 167.8 -0.0 -2.3 11.9 106 106 A Y E -D 260 0A 3 154,-2.6 154,-2.7 -2,-0.3 2,-0.1 -0.889 36.4-127.3-103.5 129.4 3.5 -1.8 10.7 107 107 A P E +D 259 0A 0 0, 0.0 152,-0.2 0, 0.0 3,-0.1 -0.489 35.8 163.0 -72.3 144.6 6.3 -1.9 13.3 108 108 A I E + 0 0 4 150,-2.1 191,-2.7 1,-0.4 192,-0.5 0.600 55.4 10.6-127.2 -64.8 8.7 1.1 13.3 109 109 A A E -DE 258 298A 7 149,-1.2 149,-1.8 189,-0.3 -1,-0.4 -0.909 58.4-141.3-127.8 154.3 10.8 1.5 16.4 110 110 A V E -DE 257 297A 2 187,-3.2 187,-1.1 -2,-0.3 2,-0.4 -0.915 17.0-171.9-116.0 138.4 11.6 -0.6 19.5 111 111 A E E +D 256 0A 81 145,-2.3 145,-2.8 -2,-0.4 2,-0.3 -0.992 13.5 149.6-135.9 136.0 11.9 0.7 23.0 112 112 A A - 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0 0 1 -3,-1.7 3,-0.5 -208,-0.2 -262,-0.1 -0.607 49.1-164.4 -80.1 130.1 -9.6 5.2 4.7 267 271 A P T 3 S+ 0 0 56 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.472 87.3 65.8 -87.4 -3.0 -10.3 5.2 0.9 268 272 A N T 3> + 0 0 6 1,-0.2 4,-2.2 -265,-0.1 5,-0.2 -0.150 58.8 129.3-110.8 37.2 -6.5 5.5 0.3 269 273 A K H <> S+ 0 0 74 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.872 72.7 51.3 -58.7 -41.0 -5.4 2.2 1.8 270 274 A E H > S+ 0 0 145 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.880 111.0 47.9 -66.0 -38.7 -3.3 1.2 -1.3 271 275 A L H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.891 109.9 52.7 -68.0 -39.6 -1.5 4.6 -1.2 272 276 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.914 110.2 48.7 -61.1 -44.5 -0.8 4.2 2.5 273 277 A K H X S+ 0 0 65 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.958 111.0 48.9 -59.0 -53.2 0.6 0.8 1.9 274 278 A E H X S+ 0 0 79 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.876 114.6 47.8 -54.0 -41.7 2.8 2.0 -0.9 275 279 A F H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-1.3 0.952 115.3 40.9 -66.4 -53.8 4.0 4.9 1.4 276 280 A L H <>S+ 0 0 0 -4,-2.9 5,-2.6 3,-0.2 -2,-0.2 0.896 122.6 39.6 -63.9 -42.6 4.8 2.9 4.5 277 281 A E H <5S+ 0 0 15 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.943 127.5 25.9 -76.4 -48.4 6.4 -0.0 2.7 278 282 A N H <5S+ 0 0 86 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.442 133.7 26.2 -99.9 0.3 8.4 1.6 -0.1 279 283 A Y T <5S+ 0 0 29 -4,-1.3 3,-0.3 -5,-0.2 -3,-0.2 0.681 126.0 29.5-124.6 -57.7 9.1 5.0 1.4 280 284 A L T S- 0 0 28 -2,-2.7 4,-2.6 -3,-0.3 5,-0.3 -0.918 90.1-103.4-142.5 166.7 13.6 2.1 4.0 283 287 A D H > S+ 0 0 60 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.920 124.7 44.2 -60.2 -43.5 17.0 3.1 5.1 284 288 A E H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.841 113.4 53.4 -70.2 -31.9 16.5 6.6 3.6 285 289 A G H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.964 112.1 39.8 -67.4 -54.3 13.1 6.8 5.1 286 290 A L H X S+ 0 0 1 -4,-2.6 4,-3.0 -6,-0.4 -1,-0.2 0.777 112.4 59.4 -66.8 -25.9 14.0 6.0 8.7 287 291 A E H X S+ 0 0 85 -4,-1.4 4,-2.8 -5,-0.3 -1,-0.2 0.912 103.1 50.6 -69.1 -41.7 17.1 8.2 8.3 288 292 A A H X S+ 0 0 28 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.904 116.2 41.9 -62.9 -41.1 15.0 11.2 7.5 289 293 A V H >X S+ 0 0 8 -4,-1.6 4,-2.1 -270,-0.2 3,-0.6 0.945 114.1 51.3 -69.7 -48.3 12.8 10.7 10.5 290 294 A N H 3< S+ 0 0 30 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.895 103.6 58.7 -56.2 -44.9 15.8 9.8 12.8 291 295 A K H 3< S+ 0 0 178 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.839 108.3 46.4 -55.1 -37.0 17.7 12.9 11.8 292 296 A D H << S- 0 0 54 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.978 140.1 -10.8 -69.8 -55.8 14.8 15.1 13.0 293 297 A K S < S- 0 0 72 -4,-2.1 -277,-0.3 -277,-0.1 -1,-0.3 -0.947 83.6-107.0-146.8 122.0 14.4 13.2 16.3 294 298 A P - 0 0 109 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.172 19.4-159.1 -52.1 133.8 16.1 9.8 17.1 295 299 A L - 0 0 23 1,-0.4 2,-0.5 -9,-0.1 -37,-0.1 0.620 28.2-139.4 -88.0 -15.4 13.8 6.8 17.1 296 300 A G + 0 0 9 -187,-0.1 -1,-0.4 -71,-0.1 2,-0.3 -0.799 69.2 5.4 90.0-132.8 16.1 4.7 19.2 297 301 A A E S-E 110 0A 0 -187,-1.1 -187,-3.2 -2,-0.5 2,-0.3 -0.670 78.2-146.2 -88.5 140.7 16.2 1.1 18.0 298 302 A V E -E 109 0A 0 -2,-0.3 -189,-0.3 -189,-0.3 -208,-0.1 -0.769 18.2-134.9-110.2 154.5 14.3 0.4 14.7 299 303 A A S S+ 0 0 0 -191,-2.7 -209,-1.8 -2,-0.3 2,-0.7 0.634 82.2 95.8 -76.9 -16.9 12.5 -2.7 13.5 300 304 A L B > -G 89 0C 7 -192,-0.5 4,-2.6 -211,-0.2 -211,-0.2 -0.685 65.7-154.7 -79.8 112.8 14.1 -2.5 10.1 301 305 A K H > S+ 0 0 68 -213,-1.9 4,-2.4 -2,-0.7 5,-0.2 0.905 88.1 54.5 -52.0 -51.2 17.1 -4.8 10.1 302 306 A S H 4 S+ 0 0 58 -214,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.895 117.1 35.1 -53.3 -47.4 19.1 -3.1 7.4 303 307 A Y H >> S+ 0 0 12 1,-0.2 4,-2.0 -3,-0.2 3,-0.7 0.834 112.8 59.6 -78.6 -32.6 19.0 0.3 9.2 304 308 A E H 3X S+ 0 0 4 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.889 98.4 59.4 -62.0 -39.8 19.2 -1.1 12.7 305 309 A E H 3< S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.781 108.8 45.5 -60.3 -27.1 22.5 -2.7 11.9 306 310 A E H X4 S+ 0 0 101 -3,-0.7 3,-1.2 -4,-0.5 -1,-0.2 0.865 111.9 48.9 -83.4 -40.3 23.9 0.8 11.1 307 311 A L H >< S+ 0 0 21 -4,-2.0 3,-1.7 1,-0.2 6,-0.3 0.731 95.6 75.0 -70.5 -22.2 22.4 2.5 14.2 308 312 A A T 3< + 0 0 36 -4,-1.9 -1,-0.2 1,-0.3 6,-0.2 0.460 68.7 87.8 -71.2 0.2 23.8 -0.3 16.4 309 313 A K T < S+ 0 0 181 -3,-1.2 -1,-0.3 4,-0.1 -2,-0.1 0.713 77.1 76.8 -69.5 -21.8 27.3 1.2 16.0 310 314 A D S X> S- 0 0 46 -3,-1.7 4,-2.1 1,-0.1 3,-0.8 -0.878 82.5-149.8 -85.6 108.9 26.1 3.2 19.0 311 315 A P H 3> S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.780 94.2 61.6 -52.1 -29.9 26.5 0.8 21.9 312 316 A R H 3> S+ 0 0 61 2,-0.2 4,-1.7 1,-0.2 -4,-0.1 0.911 109.2 41.2 -63.2 -42.1 23.5 2.4 23.7 313 317 A I H <> S+ 0 0 19 -3,-0.8 4,-2.2 -6,-0.3 5,-0.2 0.892 111.4 56.1 -71.7 -40.7 21.2 1.5 20.8 314 318 A A H X S+ 0 0 34 -4,-2.1 4,-1.8 -7,-0.2 -2,-0.2 0.912 110.7 45.7 -56.2 -44.3 22.8 -2.0 20.5 315 319 A A H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.877 106.5 57.9 -67.9 -40.2 22.0 -2.6 24.2 316 320 A T H X S+ 0 0 1 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.931 109.9 44.9 -56.8 -44.0 18.5 -1.3 23.9 317 321 A M H X S+ 0 0 9 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.874 110.7 53.9 -67.7 -37.8 17.8 -3.9 21.2 318 322 A E H X S+ 0 0 86 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.893 110.9 45.6 -64.1 -39.9 19.4 -6.6 23.2 319 323 A N H < S+ 0 0 4 -4,-2.6 4,-0.4 1,-0.2 3,-0.2 0.821 112.6 51.4 -71.4 -32.7 17.2 -5.9 26.2 320 324 A A H < S+ 0 0 2 -4,-1.7 3,-0.3 -5,-0.3 -2,-0.2 0.820 104.6 56.9 -73.0 -32.0 14.1 -5.7 24.0 321 325 A Q H < S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.720 114.0 39.0 -72.3 -19.7 14.9 -9.1 22.4 322 326 A K S < S+ 0 0 86 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.438 106.2 93.6-105.7 -3.1 14.9 -10.7 25.8 323 327 A G S S- 0 0 20 -4,-0.4 2,-0.5 -3,-0.3 -69,-0.2 -0.073 81.5 -99.4 -83.2-177.1 12.0 -8.6 27.0 324 328 A E E -o 254 0H 30 -71,-2.1 -69,-2.4 3,-0.0 2,-0.5 -0.908 32.4-122.8-108.1 126.6 8.3 -9.2 27.1 325 329 A I E -o 255 0H 43 -2,-0.5 -69,-0.1 -71,-0.2 3,-0.1 -0.570 37.2-111.9 -70.1 118.9 6.2 -7.6 24.4 326 330 A M - 0 0 18 -71,-1.4 -1,-0.1 -2,-0.5 -69,-0.1 -0.264 36.6-106.2 -52.7 126.8 3.6 -5.5 26.2 327 331 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -259,-0.1 -0.292 21.8-148.8 -56.4 139.2 0.1 -7.0 25.7 328 332 A N + 0 0 20 -230,-0.2 -260,-0.2 -3,-0.1 -259,-0.2 0.201 61.1 110.0 -96.6 17.8 -1.9 -4.9 23.3 329 333 A I S > S- 0 0 13 -261,-0.1 3,-1.3 1,-0.1 -260,-0.1 -0.581 75.5-123.5 -92.0 155.0 -5.3 -5.7 25.0 330 334 A P T > S+ 0 0 48 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.777 103.6 76.5 -66.7 -26.1 -7.3 -3.2 26.9 331 335 A Q T >> S+ 0 0 80 1,-0.3 4,-1.3 2,-0.2 3,-1.2 0.631 70.8 89.6 -59.8 -11.1 -7.3 -5.3 30.1 332 336 A M H <> S+ 0 0 7 -3,-1.3 4,-2.1 1,-0.3 -1,-0.3 0.728 74.1 68.1 -58.7 -21.7 -3.8 -4.1 30.4 333 337 A S H <> S+ 0 0 89 -3,-2.1 4,-1.7 2,-0.2 -1,-0.3 0.864 97.8 49.0 -67.0 -37.4 -5.3 -1.2 32.4 334 338 A A H <> S+ 0 0 41 -3,-1.2 4,-2.7 -4,-0.2 -1,-0.2 0.884 108.5 56.5 -69.1 -37.1 -6.3 -3.5 35.3 335 339 A F H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 5,-0.4 0.952 106.3 47.4 -58.2 -54.3 -2.8 -4.9 35.2 336 340 A W H X S+ 0 0 52 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.942 116.8 43.4 -53.7 -51.2 -1.0 -1.6 35.8 337 341 A Y H X S+ 0 0 154 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.862 116.4 47.7 -64.3 -37.9 -3.3 -0.6 38.6 338 342 A A H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.948 114.8 41.5 -70.4 -52.0 -3.2 -4.1 40.2 339 343 A V H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.854 110.0 60.1 -65.8 -34.4 0.6 -4.7 40.2 340 344 A R H X S+ 0 0 81 -4,-1.9 4,-1.8 -5,-0.4 -1,-0.2 0.954 109.3 42.8 -57.3 -50.1 1.2 -1.1 41.2 341 345 A T H X S+ 0 0 50 -4,-1.4 4,-2.7 1,-0.2 5,-0.3 0.897 112.0 54.3 -63.0 -43.1 -0.7 -1.7 44.4 342 346 A A H X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.927 109.6 46.4 -59.1 -47.0 0.9 -5.1 45.0 343 347 A V H X S+ 0 0 8 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.885 114.0 48.5 -64.0 -38.4 4.4 -3.7 44.8 344 348 A I H X S+ 0 0 60 -4,-1.8 4,-1.7 -5,-0.3 6,-0.3 0.916 114.2 44.3 -68.8 -45.0 3.6 -0.7 47.1 345 349 A N H < S+ 0 0 19 -4,-2.7 6,-1.9 1,-0.2 5,-0.5 0.832 114.9 49.7 -69.9 -31.6 1.9 -2.9 49.8 346 350 A A H >< S+ 0 0 4 -4,-2.1 3,-0.7 -5,-0.3 -2,-0.2 0.880 112.2 47.1 -73.0 -38.6 4.7 -5.5 49.6 347 351 A A H 3< S+ 0 0 23 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.822 112.2 49.7 -71.7 -33.2 7.4 -2.9 50.0 348 352 A S T 3< S- 0 0 74 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.371 108.3-121.9 -87.3 3.0 5.7 -1.1 52.9 349 353 A G S < S+ 0 0 62 -3,-0.7 -3,-0.2 2,-0.3 -4,-0.1 0.422 80.6 122.6 71.9 -5.0 5.1 -4.3 54.8 350 354 A R S S+ 0 0 198 -5,-0.5 2,-0.3 -6,-0.3 -4,-0.2 0.750 83.4 12.6 -59.5 -23.2 1.4 -3.6 54.8 351 355 A Q S S- 0 0 48 -6,-1.9 -2,-0.3 -9,-0.1 -1,-0.1 -0.988 86.8-105.1-153.4 149.2 0.9 -6.9 53.0 352 356 A T > - 0 0 70 -2,-0.3 4,-3.3 1,-0.1 5,-0.2 -0.377 31.7-115.0 -75.6 157.8 3.1 -10.0 52.4 353 357 A V H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.932 117.5 49.6 -56.4 -47.5 4.5 -10.7 48.9 354 358 A D H > S+ 0 0 85 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.883 115.4 43.0 -60.1 -43.2 2.4 -13.8 48.6 355 359 A E H > S+ 0 0 100 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.919 112.5 52.4 -69.7 -46.2 -0.8 -12.0 49.6 356 360 A A H X S+ 0 0 1 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.933 113.4 42.3 -55.4 -53.4 -0.1 -8.9 47.5 357 361 A L H X S+ 0 0 3 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.873 111.9 56.5 -63.3 -37.4 0.5 -10.8 44.2 358 362 A K H X S+ 0 0 118 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.903 109.8 44.1 -61.4 -42.9 -2.5 -13.1 45.0 359 363 A D H X S+ 0 0 51 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.829 113.0 52.5 -71.5 -30.9 -4.8 -10.1 45.3 360 364 A A H X S+ 0 0 3 -4,-1.8 4,-1.9 -5,-0.2 3,-0.3 0.963 107.8 50.7 -67.0 -52.2 -3.3 -8.5 42.2 361 365 A Q H X S+ 0 0 25 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.908 109.6 51.5 -49.9 -48.8 -3.9 -11.7 40.2 362 366 A T H X S+ 0 0 72 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.868 109.3 49.5 -59.2 -40.5 -7.5 -11.8 41.3 363 367 A R H < S+ 0 0 135 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.809 112.2 48.1 -70.3 -31.1 -8.2 -8.2 40.2 364 368 A I H < S+ 0 0 9 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.891 117.9 38.2 -77.3 -41.1 -6.7 -8.7 36.8 365 369 A T H < 0 0 53 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.439 360.0 360.0 -89.6 0.3 -8.5 -12.0 35.9 366 370 A K < 0 0 218 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.1 0.947 360.0 360.0 -50.9 360.0 -11.7 -10.7 37.6