==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 11-MAY-00 1EZO . COMPND 2 MOLECULE: MALTOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.A.MUELLER,W.Y.CHOY,D.YANG,J.D.FORMAN-KAY,R.A.VENTERS, . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 57.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.5 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 . 29 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 0 2 3 1 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 0 220 0, 0.0 2,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 128.9 -40.1 2.2 7.7 2 2 A T - 0 0 70 2,-0.1 2,-0.4 3,-0.0 31,-0.0 -0.443 360.0-123.3-103.0 178.7 -37.0 0.1 8.7 3 3 A E S S- 0 0 173 -2,-0.1 2,-2.7 3,-0.0 3,-0.2 -0.991 71.5 -31.4-130.3 131.7 -36.3 -2.2 11.7 4 4 A E - 0 0 134 -2,-0.4 30,-0.5 1,-0.2 -2,-0.1 -0.367 64.3-166.6 65.0 -75.3 -33.4 -1.9 14.1 5 5 A G + 0 0 10 -2,-2.7 29,-0.7 1,-0.2 2,-0.4 0.907 28.2 155.1 59.3 43.7 -31.0 -0.5 11.5 6 6 A K E +a 34 0A 108 -3,-0.2 2,-0.3 27,-0.2 29,-0.2 -0.850 17.6 178.4-106.8 139.7 -27.9 -1.1 13.7 7 7 A L E -a 35 0A 38 27,-1.1 29,-2.7 -2,-0.4 2,-0.5 -0.963 21.4-145.1-138.2 154.8 -24.4 -1.6 12.5 8 8 A V E -a 36 0A 32 -2,-0.3 51,-1.8 27,-0.2 2,-0.6 -0.900 14.8-170.2-125.6 102.8 -20.9 -2.1 14.0 9 9 A I E -ab 37 59A 29 27,-2.7 29,-1.8 -2,-0.5 2,-0.7 -0.825 9.4-154.0 -96.4 118.4 -18.0 -0.5 12.2 10 10 A W E +ab 38 60A 18 49,-3.1 51,-2.0 -2,-0.6 2,-0.3 -0.814 31.6 147.9 -95.0 112.0 -14.6 -1.6 13.4 11 11 A I + 0 0 45 27,-2.4 2,-0.2 -2,-0.7 51,-0.1 -0.998 15.2 165.6-145.2 145.6 -11.9 1.1 12.7 12 12 A N + 0 0 114 -2,-0.3 4,-0.0 49,-0.2 -2,-0.0 -0.772 36.9 96.2-163.7 112.7 -8.8 2.3 14.4 13 13 A G S S- 0 0 62 -2,-0.2 3,-0.1 2,-0.1 26,-0.0 0.305 98.3 -53.4-162.7 -42.8 -6.0 4.5 13.1 14 14 A D S S- 0 0 110 1,-0.4 2,-0.3 283,-0.0 0, 0.0 0.087 104.5 -9.0-176.9 -48.7 -6.4 8.1 14.1 15 15 A K + 0 0 110 282,-0.1 -1,-0.4 2,-0.1 -2,-0.1 -0.866 67.4 106.6-153.2-175.1 -9.9 9.5 13.1 16 16 A G > + 0 0 7 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.091 67.0 89.1 125.0 -34.9 -13.1 8.6 11.3 17 17 A Y H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.848 88.4 54.0 -62.4 -34.6 -15.5 7.9 14.1 18 18 A N H > S+ 0 0 95 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.863 112.4 43.2 -68.1 -36.9 -16.4 11.6 14.2 19 19 A G H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.877 113.2 50.1 -76.6 -39.0 -17.3 11.6 10.5 20 20 A L H X S+ 0 0 50 -4,-2.6 4,-1.3 1,-0.2 3,-0.3 0.819 103.3 62.1 -68.3 -31.3 -19.1 8.3 10.6 21 21 A A H X S+ 0 0 47 -4,-1.7 4,-2.6 1,-0.2 3,-0.3 0.887 97.5 56.7 -61.6 -40.3 -21.2 9.5 13.6 22 22 A E H X S+ 0 0 122 -4,-0.9 4,-1.0 1,-0.2 -1,-0.2 0.845 105.2 52.5 -60.4 -34.3 -22.6 12.4 11.5 23 23 A V H X S+ 0 0 25 -4,-0.8 4,-1.2 -3,-0.3 -1,-0.2 0.813 111.5 46.6 -71.7 -31.0 -23.9 9.8 9.0 24 24 A G H X S+ 0 0 3 -4,-1.3 4,-2.8 -3,-0.3 5,-0.4 0.924 105.4 56.0 -77.1 -46.7 -25.6 7.8 11.7 25 25 A K H X S+ 0 0 120 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.803 111.0 48.1 -55.6 -29.7 -27.3 10.7 13.5 26 26 A K H < S+ 0 0 137 -4,-1.0 4,-0.3 -5,-0.2 -1,-0.2 0.857 112.4 47.7 -79.1 -37.7 -28.9 11.6 10.2 27 27 A F H >< S+ 0 0 47 -4,-1.2 3,-2.4 1,-0.2 4,-0.5 0.977 110.9 48.1 -67.3 -56.5 -30.0 8.0 9.5 28 28 A E H 3X S+ 0 0 64 -4,-2.8 4,-0.6 5,-1.3 -1,-0.2 0.793 92.6 84.1 -53.6 -27.7 -31.6 7.4 12.9 29 29 A K T 3< S+ 0 0 160 -4,-0.6 -1,-0.3 -5,-0.4 -2,-0.2 0.799 83.7 58.5 -46.4 -32.5 -33.2 10.7 12.4 30 30 A D T <4 S- 0 0 94 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.991 132.4 -83.4 -63.0 -57.4 -35.9 8.8 10.5 31 31 A T T 4 S+ 0 0 107 -4,-0.5 -2,-0.2 -3,-0.2 -3,-0.1 0.353 106.3 24.4 157.6 37.1 -36.7 6.5 13.5 32 32 A G S < S+ 0 0 25 -4,-0.6 2,-0.3 -5,-0.2 -4,-0.2 0.463 74.9 110.8 156.9 43.4 -34.4 3.6 13.9 33 33 A I + 0 0 7 -9,-0.1 -5,-1.3 -8,-0.1 2,-0.4 -0.770 28.6 156.5-140.4 95.3 -30.8 3.8 12.4 34 34 A K E -a 6 0A 141 -29,-0.7 -27,-1.1 -30,-0.5 2,-0.3 -0.968 21.3-157.9-122.2 131.8 -27.9 4.0 14.8 35 35 A V E -a 7 0A 26 -2,-0.4 2,-0.4 -29,-0.2 -27,-0.2 -0.807 8.3-141.4-108.1 148.5 -24.3 3.0 14.0 36 36 A T E -a 8 0A 52 -29,-2.7 -27,-2.7 -2,-0.3 2,-0.6 -0.899 6.9-158.7-111.8 137.1 -21.6 2.0 16.4 37 37 A V E +a 9 0A 52 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.937 27.0 149.3-118.6 111.5 -17.9 3.0 16.1 38 38 A E E -a 10 0A 109 -29,-1.8 -27,-2.4 -2,-0.6 -2,-0.0 -0.914 41.4-112.5-136.8 163.0 -15.3 0.9 17.9 39 39 A H - 0 0 98 -2,-0.3 2,-0.2 -29,-0.2 -27,-0.1 -0.750 34.9-109.3 -98.7 144.4 -11.7 -0.2 17.5 40 40 A P + 0 0 40 0, 0.0 -1,-0.0 0, 0.0 20,-0.0 -0.495 60.4 128.0 -73.4 136.0 -10.6 -3.9 16.9 41 41 A D S S+ 0 0 107 -2,-0.2 3,-0.1 0, 0.0 0, 0.0 0.370 83.4 17.6-151.5 -47.0 -8.9 -5.6 19.7 42 42 A K S >> S+ 0 0 117 1,-0.1 3,-2.1 2,-0.1 4,-1.7 0.359 92.3 101.2-116.2 0.2 -10.5 -9.0 20.5 43 43 A L H 3> + 0 0 13 1,-0.3 4,-2.9 2,-0.2 7,-0.2 0.770 68.1 76.1 -56.6 -25.4 -12.5 -9.3 17.2 44 44 A E H 34 S+ 0 0 178 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.822 108.3 29.4 -55.7 -32.0 -9.7 -11.8 16.2 45 45 A E H <4 S+ 0 0 116 -3,-2.1 4,-0.4 2,-0.1 -1,-0.2 0.727 118.3 56.1 -98.2 -29.6 -11.4 -14.3 18.5 46 46 A K H >X S+ 0 0 61 -4,-1.7 4,-3.4 1,-0.2 3,-0.7 0.750 90.4 77.8 -73.9 -24.5 -14.9 -13.0 18.2 47 47 A F H 3X S+ 0 0 68 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.943 95.5 44.0 -49.2 -58.5 -14.8 -13.4 14.4 48 48 A P H 34 S+ 0 0 81 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.707 118.3 47.9 -62.0 -19.0 -15.3 -17.2 14.5 49 49 A Q H <> S+ 0 0 122 -3,-0.7 4,-0.7 -4,-0.4 5,-0.4 0.816 118.0 37.6 -89.8 -36.0 -18.0 -16.6 17.0 50 50 A V H < S+ 0 0 12 -4,-3.4 5,-0.2 1,-0.2 -3,-0.2 0.647 97.0 82.8 -88.6 -17.8 -19.8 -13.8 15.1 51 51 A A T < S+ 0 0 35 -4,-2.6 -1,-0.2 -5,-0.4 -2,-0.1 0.872 100.8 37.0 -53.3 -39.8 -19.2 -15.5 11.8 52 52 A A T 4 S- 0 0 75 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.873 142.8 -63.1 -80.6 -40.3 -22.3 -17.7 12.4 53 53 A T < + 0 0 106 -4,-0.7 2,-2.8 218,-0.0 3,-0.2 -0.046 64.6 159.3-169.7 -74.1 -24.3 -15.0 14.1 54 54 A G S S- 0 0 49 -5,-0.4 -4,-0.1 1,-0.2 -3,-0.1 -0.370 87.1 -29.7 67.1 -74.4 -23.0 -13.5 17.4 55 55 A D S S- 0 0 140 -2,-2.8 -1,-0.2 2,-0.2 3,-0.1 0.445 89.8 -92.3-136.2 -71.8 -25.1 -10.3 17.2 56 56 A G S S+ 0 0 24 1,-0.7 -1,-0.1 -3,-0.2 -49,-0.1 -0.282 85.5 47.7-175.3 -91.2 -25.9 -9.0 13.7 57 57 A P + 0 0 12 0, 0.0 -1,-0.7 0, 0.0 -2,-0.2 0.079 50.8 176.3 -64.3-177.7 -23.9 -6.5 11.7 58 58 A D + 0 0 14 213,-0.1 209,-0.5 -3,-0.1 2,-0.3 -0.348 8.8 156.7 167.1 106.4 -20.1 -6.6 11.2 59 59 A I E +b 9 0A 17 -51,-1.8 -49,-3.1 207,-0.1 2,-0.4 -0.926 10.7 179.7-146.9 117.3 -17.8 -4.4 9.1 60 60 A I E -b 10 0A 2 205,-0.6 2,-0.6 -2,-0.3 205,-0.5 -0.935 23.9-132.5-121.2 142.7 -14.1 -3.9 9.6 61 61 A F + 0 0 66 -51,-2.0 2,-0.3 -2,-0.4 -49,-0.2 -0.826 43.9 144.2 -96.0 117.1 -11.7 -1.7 7.6 62 62 A W B -C 263 0B 120 201,-1.5 201,-2.7 -2,-0.6 6,-0.1 -0.885 49.3 -76.9-143.1 173.2 -8.4 -3.5 6.7 63 63 A A >> - 0 0 44 199,-0.3 200,-1.0 -2,-0.3 4,-0.9 0.253 54.8 -92.7 -57.3-168.6 -5.8 -3.7 3.9 64 64 A H H >>S+ 0 0 31 3,-0.2 4,-1.2 195,-0.2 5,-1.1 0.963 124.7 27.7 -76.1 -56.4 -6.4 -5.7 0.7 65 65 A D H 4>S+ 0 0 18 3,-0.3 5,-0.7 1,-0.2 7,-0.1 0.789 114.2 67.0 -76.0 -29.0 -5.0 -9.0 1.7 66 66 A R H 45S+ 0 0 120 3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.893 129.0 1.4 -58.2 -41.8 -5.8 -8.4 5.4 67 67 A F H X5S+ 0 0 9 -4,-0.9 4,-3.5 3,-0.1 5,-0.4 0.763 141.2 42.1-111.9 -55.2 -9.5 -8.6 4.6 68 68 A G H X4X S+ 0 0 9 -4,-3.5 3,-2.1 1,-0.3 4,-0.9 0.818 99.3 68.1 -61.5 -31.2 -12.0 -13.2 3.8 72 72 A Q T 3< S+ 0 0 65 -4,-0.6 -1,-0.3 -5,-0.4 -2,-0.1 0.808 107.1 39.3 -58.7 -30.1 -11.7 -14.7 0.4 73 73 A S T <4 S+ 0 0 91 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.010 126.7 35.3-108.3 25.8 -10.8 -17.9 2.1 74 74 A G T <4 S- 0 0 52 -3,-2.1 -3,-0.2 0, 0.0 -2,-0.2 0.444 122.4 -47.9-136.1 -75.2 -13.3 -17.6 4.9 75 75 A L < + 0 0 64 -4,-0.9 2,-0.4 29,-0.1 194,-0.2 -0.325 60.0 165.1-176.8 83.5 -16.7 -16.0 4.2 76 76 A L - 0 0 21 -5,-0.5 2,-2.0 191,-0.3 191,-0.2 -0.856 50.1-101.4-110.2 143.7 -17.0 -12.7 2.3 77 77 A A - 0 0 13 189,-1.6 2,-1.2 -2,-0.4 28,-0.2 -0.378 39.8-154.1 -62.5 83.3 -20.1 -11.2 0.8 78 78 A E - 0 0 103 -2,-2.0 26,-0.2 26,-0.1 -1,-0.1 -0.466 14.3-154.8 -65.1 96.6 -19.3 -12.2 -2.8 79 79 A I B -F 103 0C 26 24,-1.4 24,-0.9 -2,-1.2 -1,-0.0 -0.299 8.8-121.8 -72.1 158.3 -21.3 -9.6 -4.6 80 80 A T - 0 0 90 22,-0.1 2,-1.4 1,-0.0 3,-0.5 -0.660 27.0-100.1-101.2 158.0 -22.6 -10.2 -8.2 81 81 A P S S+ 0 0 113 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.599 84.3 103.6 -79.8 89.6 -21.8 -8.1 -11.3 82 82 A D S >> S+ 0 0 108 -2,-1.4 3,-2.0 3,-0.0 4,-0.7 0.584 70.6 51.8-130.1 -55.2 -24.9 -5.9 -11.7 83 83 A K H 3> S+ 0 0 37 -3,-0.5 4,-3.5 1,-0.3 5,-0.3 0.765 93.5 79.1 -59.9 -25.3 -24.2 -2.4 -10.5 84 84 A A H 3> S+ 0 0 37 1,-0.2 4,-1.4 3,-0.2 5,-0.4 0.742 91.1 54.7 -55.3 -23.2 -21.2 -2.4 -12.9 85 85 A F H <4 S+ 0 0 156 -3,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.974 117.3 29.8 -75.1 -59.2 -23.7 -1.8 -15.7 86 86 A Q H < S+ 0 0 152 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.1 0.759 123.0 53.7 -71.9 -25.0 -25.4 1.3 -14.3 87 87 A D H < S- 0 0 52 -4,-3.5 -3,-0.2 -5,-0.2 -1,-0.2 0.878 85.0-159.4 -76.4 -39.9 -22.2 2.3 -12.6 88 88 A K < + 0 0 144 -4,-1.4 -3,-0.1 -5,-0.3 -4,-0.1 0.866 29.1 168.4 61.0 37.3 -20.1 2.1 -15.8 89 89 A L - 0 0 42 -5,-0.4 215,-0.1 1,-0.1 -1,-0.0 0.142 39.2 -78.7 -66.7-170.1 -16.9 1.7 -13.6 90 90 A Y > - 0 0 127 213,-0.3 4,-0.8 1,-0.1 3,-0.2 -0.727 22.9-141.2 -98.0 146.5 -13.5 0.7 -15.0 91 91 A P H > S+ 0 0 81 0, 0.0 4,-3.8 0, 0.0 5,-0.3 0.823 101.0 61.3 -73.0 -32.4 -12.5 -3.0 -15.8 92 92 A F H > S+ 0 0 131 1,-0.2 4,-1.2 2,-0.2 5,-0.0 0.824 102.9 51.7 -63.6 -31.7 -9.0 -2.5 -14.4 93 93 A T H 4 S+ 0 0 39 -3,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.813 117.7 37.5 -74.5 -31.3 -10.5 -1.8 -11.0 94 94 A W H >< S+ 0 0 50 -4,-0.8 3,-1.2 2,-0.2 -2,-0.2 0.865 112.9 55.0 -86.5 -41.8 -12.6 -4.9 -11.1 95 95 A D H >< S+ 0 0 100 -4,-3.8 3,-1.0 1,-0.3 -3,-0.2 0.817 97.7 66.7 -61.1 -30.9 -10.1 -7.2 -12.8 96 96 A A T 3< S+ 0 0 52 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.812 109.8 36.5 -60.3 -30.5 -7.6 -6.3 -10.0 97 97 A V T < S+ 0 0 3 -3,-1.2 2,-0.6 -4,-0.3 -1,-0.3 -0.481 81.5 130.1-122.1 60.5 -9.8 -8.1 -7.6 98 98 A R < + 0 0 158 -3,-1.0 2,-0.7 -2,-0.1 5,-0.1 -0.834 27.3 175.8-118.1 93.0 -11.1 -11.1 -9.6 99 99 A Y B > S-G 102 0D 103 3,-0.9 2,-3.1 -2,-0.6 3,-1.1 -0.867 70.1 -43.9-101.9 113.7 -10.7 -14.4 -7.8 100 100 A N T 3 S- 0 0 164 -2,-0.7 -2,-0.0 1,-0.2 -1,-0.0 -0.352 119.2 -44.1 68.4 -68.8 -12.1 -17.4 -9.5 101 101 A G T 3 S+ 0 0 48 -2,-3.1 2,-0.3 1,-0.0 -1,-0.2 0.212 111.7 83.3 174.5 39.1 -15.3 -15.6 -10.4 102 102 A K B < S-G 99 0D 91 -3,-1.1 -3,-0.9 -22,-0.1 2,-0.8 -0.910 72.5-109.0-145.6 171.5 -16.7 -13.5 -7.5 103 103 A L B +F 79 0C 33 -24,-0.9 -24,-1.4 -2,-0.3 -5,-0.1 -0.815 44.5 152.2-110.4 92.0 -16.3 -10.2 -5.8 104 104 A I + 0 0 16 -2,-0.8 2,-0.2 -7,-0.3 -32,-0.2 -0.301 57.4 62.4-113.0 46.9 -14.6 -10.8 -2.4 105 105 A A - 0 0 4 -28,-0.2 -8,-0.1 -8,-0.1 -1,-0.1 -0.795 52.9-169.4-171.5 124.8 -12.9 -7.4 -2.0 106 106 A Y - 0 0 33 -2,-0.2 158,-2.1 -42,-0.1 2,-0.4 -0.889 13.7-157.3-124.0 101.0 -14.2 -3.8 -1.7 107 107 A P E +D 263 0B 35 0, 0.0 196,-0.2 0, 0.0 156,-0.2 -0.624 23.7 160.5 -79.9 127.7 -11.5 -1.1 -2.0 108 108 A I E + 0 0 32 154,-1.8 194,-0.1 -2,-0.4 192,-0.1 -0.125 63.8 43.6-138.8 39.3 -12.4 2.3 -0.5 109 109 A A E - 0 0 6 153,-0.1 2,-0.9 192,-0.1 153,-0.7 -0.357 61.5-159.5 176.0 95.2 -9.1 4.0 0.0 110 110 A V E +DE 261 301B 21 191,-1.3 191,-0.5 151,-0.2 2,-0.4 -0.745 26.4 162.7 -89.0 105.7 -6.3 4.1 -2.5 111 111 A E + 0 0 74 149,-2.2 149,-0.5 -2,-0.9 2,-0.3 -0.985 2.6 146.2-127.8 132.9 -3.0 4.9 -0.7 112 112 A A - 0 0 21 -2,-0.4 2,-0.2 204,-0.2 208,-0.1 -0.928 40.7 -98.7-152.5 174.3 0.5 4.4 -1.9 113 113 A L + 0 0 70 -2,-0.3 2,-0.3 145,-0.3 115,-0.1 -0.616 40.2 158.1 -99.9 160.7 4.1 5.8 -1.8 114 114 A S - 0 0 17 113,-0.4 113,-0.7 -2,-0.2 2,-0.4 -0.947 38.6 -91.0-164.1-179.8 5.8 8.0 -4.4 115 115 A L E -HI 226 245E 22 130,-1.8 130,-2.7 -2,-0.3 2,-0.3 -0.914 30.9-145.0-112.0 133.7 8.6 10.5 -5.0 116 116 A I E + I 0 244E 40 109,-2.4 109,-0.4 -2,-0.4 2,-0.2 -0.740 23.1 171.0 -97.7 143.6 8.2 14.3 -4.7 117 117 A Y E - 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0 0 89 -2,-1.1 4,-1.3 3,-0.1 -2,-0.1 0.977 65.1-170.0 59.1 86.7 -29.0 -8.0 6.0 273 273 A K H > S+ 0 0 119 -3,-0.4 4,-1.3 2,-0.2 5,-0.2 0.808 85.6 45.1 -75.0 -30.9 -27.6 -8.7 2.5 274 274 A E H > S+ 0 0 104 2,-0.2 4,-2.7 1,-0.1 5,-0.2 0.965 117.2 40.2 -76.4 -57.2 -29.8 -6.0 1.0 275 275 A L H > S+ 0 0 66 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.821 111.6 61.9 -61.6 -31.4 -29.3 -3.2 3.4 276 276 A A H X S+ 0 0 11 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.967 112.3 32.9 -59.2 -56.8 -25.6 -4.1 3.6 277 277 A K H X S+ 0 0 62 -4,-1.3 4,-1.7 2,-0.2 5,-0.2 0.912 122.2 49.0 -67.2 -43.9 -24.9 -3.4 -0.0 278 278 A E H X S+ 0 0 90 -4,-2.7 4,-3.5 1,-0.2 -2,-0.2 0.900 110.9 50.1 -62.8 -42.3 -27.5 -0.6 -0.2 279 279 A F H < S+ 0 0 39 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.819 113.0 47.1 -66.1 -31.3 -26.1 1.0 2.9 280 280 A L H <>S+ 0 0 13 -4,-1.4 5,-1.5 -5,-0.2 -1,-0.2 0.749 120.2 38.0 -81.2 -25.8 -22.6 0.8 1.5 281 281 A E H <5S+ 0 0 60 -4,-1.7 3,-0.3 3,-0.2 -2,-0.2 0.771 126.3 35.8 -93.8 -32.2 -23.7 2.2 -1.9 282 282 A N T <5S+ 0 0 115 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.1 -0.009 131.4 29.7-110.1 27.5 -26.2 4.8 -0.6 283 283 A Y T 5S+ 0 0 67 -3,-0.1 -1,-0.2 -5,-0.0 -2,-0.1 0.034 128.1 23.0-177.3 48.2 -24.2 5.7 2.5 284 284 A L T 5S+ 0 0 49 -3,-0.3 2,-0.6 -4,-0.1 -3,-0.2 0.016 115.8 47.1-178.3 -55.8 -20.4 5.3 1.9 285 285 A L S >S- 0 0 34 -2,-0.6 4,-1.7 1,-0.1 5,-0.5 -0.933 91.3 -90.2-151.0 171.8 -21.4 8.5 -2.8 287 287 A D H >5S+ 0 0 76 -2,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.916 130.2 33.6 -52.4 -48.2 -21.2 12.3 -3.1 288 288 A E H >5S+ 0 0 141 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.837 115.9 60.5 -77.5 -35.0 -22.7 12.7 0.4 289 289 A G H >>5S+ 0 0 11 1,-0.2 3,-2.1 2,-0.2 4,-0.6 0.987 112.2 31.7 -55.3 -75.8 -21.1 9.5 1.7 290 290 A L H 3X5S+ 0 0 21 -4,-1.7 4,-3.7 1,-0.3 5,-0.5 0.731 101.0 86.8 -56.5 -21.9 -17.3 10.2 1.3 291 291 A E H 3< - 0 0 40 1,-0.2 4,-2.5 -215,-0.1 7,-0.2 -0.613 42.7-148.5 -78.3 127.0 -14.7 6.6 -9.4 305 305 A K T 4 S+ 0 0 92 -2,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.897 100.1 43.4 -60.0 -42.1 -14.5 7.4 -13.1 306 306 A S T >4 S+ 0 0 62 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.957 118.5 41.8 -68.8 -52.4 -16.9 10.4 -12.7 307 307 A Y T >> S+ 0 0 61 1,-0.3 4,-3.8 2,-0.2 3,-1.0 0.784 100.1 75.2 -65.7 -27.3 -15.2 11.7 -9.5 308 308 A E H 3X S+ 0 0 62 -4,-2.5 4,-1.7 1,-0.3 -1,-0.3 0.789 84.1 67.7 -55.4 -28.1 -11.8 11.0 -11.1 309 309 A E H <4 S+ 0 0 176 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.918 117.6 20.7 -58.9 -45.7 -12.4 14.1 -13.2 310 310 A E H X4 S+ 0 0 148 -3,-1.0 3,-1.9 -4,-0.4 4,-0.3 0.770 117.2 66.1 -93.2 -32.0 -12.2 16.4 -10.2 311 311 A L H >< S+ 0 0 16 -4,-3.8 3,-2.3 1,-0.3 6,-0.3 0.792 84.3 76.4 -59.9 -28.2 -10.3 14.0 -8.0 312 312 A A T 3< S+ 0 0 56 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.772 78.9 73.1 -54.3 -26.5 -7.4 14.3 -10.4 313 313 A K T < S+ 0 0 189 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.814 87.3 75.1 -58.7 -30.7 -6.7 17.7 -8.8 314 314 A D S <> S- 0 0 60 -3,-2.3 4,-0.9 -4,-0.3 3,-0.2 -0.646 73.8-147.7 -86.9 140.6 -5.4 15.8 -5.8 315 315 A P H > S+ 0 0 77 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.668 86.0 82.3 -78.9 -17.9 -1.9 14.2 -5.9 316 316 A R H > S+ 0 0 63 1,-0.2 4,-1.0 2,-0.2 -204,-0.2 0.941 106.3 25.8 -51.2 -54.6 -3.0 11.4 -3.6 317 317 A I H > S+ 0 0 6 -6,-0.3 4,-3.3 -3,-0.2 5,-0.3 0.794 115.6 65.8 -80.5 -30.0 -4.6 9.4 -6.4 318 318 A A H X S+ 0 0 28 -4,-0.9 4,-0.6 -7,-0.2 -2,-0.2 0.822 104.8 45.7 -60.8 -31.8 -2.4 10.9 -9.0 319 319 A A H X S+ 0 0 14 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.866 115.7 44.5 -79.1 -39.1 0.6 9.2 -7.4 320 320 A T H X S+ 0 0 8 -4,-1.0 4,-2.9 -5,-0.3 5,-0.2 0.907 108.9 55.8 -71.7 -43.4 -1.1 5.8 -7.0 321 321 A M H X S+ 0 0 86 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.797 98.6 66.5 -59.4 -28.8 -2.6 5.8 -10.5 322 322 A E H X S+ 0 0 75 -4,-0.6 4,-0.6 -5,-0.3 -1,-0.2 0.967 115.1 24.4 -57.3 -57.4 1.0 6.3 -11.8 323 323 A N H X S+ 0 0 27 -4,-1.0 4,-1.9 -3,-0.2 3,-0.4 0.806 122.8 56.7 -78.3 -31.1 2.2 2.9 -10.7 324 324 A A H < S+ 0 0 31 -4,-2.9 4,-0.2 1,-0.2 -2,-0.2 0.736 90.5 75.9 -71.7 -23.1 -1.3 1.4 -10.7 325 325 A Q H < S+ 0 0 136 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.929 110.6 24.1 -53.6 -50.3 -1.7 2.4 -14.4 326 326 A K H < S- 0 0 163 -4,-0.6 -2,-0.2 -3,-0.4 2,-0.2 0.911 133.9 -62.8 -82.7 -47.6 0.5 -0.5 -15.5 327 327 A G < + 0 0 32 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.1 -0.588 53.6 161.5 159.9 136.7 0.0 -2.8 -12.6 328 328 A E + 0 0 38 -4,-0.2 -69,-2.0 -2,-0.2 2,-0.4 -0.434 16.9 149.3-173.3 89.3 0.6 -3.0 -8.8 329 329 A I - 0 0 78 -71,-0.2 -69,-0.1 -72,-0.2 -71,-0.1 -0.968 44.1-124.3-133.6 118.5 -1.3 -5.5 -6.6 330 330 A M - 0 0 70 -71,-0.5 -72,-0.1 -2,-0.4 -2,-0.0 -0.411 32.8-144.4 -61.0 120.3 0.2 -7.1 -3.5 331 331 A P - 0 0 47 0, 0.0 -266,-0.1 0, 0.0 -1,-0.1 0.111 11.8-118.4 -72.4-168.2 -0.0 -10.9 -3.8 332 332 A N + 0 0 61 -263,-0.0 4,-0.2 -267,-0.0 -263,-0.0 0.874 41.8 159.3 -98.5 -65.1 -0.7 -13.4 -1.1 333 333 A I > - 0 0 70 1,-0.1 3,-1.1 2,-0.1 4,-0.2 0.883 24.2-162.4 34.9 90.3 2.3 -15.7 -0.8 334 334 A P T > S+ 0 0 93 0, 0.0 3,-2.1 0, 0.0 4,-0.5 0.763 82.0 75.9 -69.1 -25.2 1.9 -17.2 2.7 335 335 A Q T >> S+ 0 0 105 1,-0.3 4,-1.8 2,-0.2 3,-0.8 0.770 78.7 74.5 -57.2 -25.8 5.6 -18.2 2.7 336 336 A M H <> S+ 0 0 59 -3,-1.1 4,-1.5 1,-0.2 -1,-0.3 0.794 83.1 68.6 -58.1 -28.6 6.4 -14.6 3.4 337 337 A S H <4 S+ 0 0 63 -3,-2.1 4,-0.3 1,-0.2 3,-0.3 0.925 106.0 37.3 -56.9 -47.6 5.2 -15.1 6.9 338 338 A A H X> S+ 0 0 63 -3,-0.8 3,-1.5 -4,-0.5 4,-0.9 0.835 109.5 63.1 -74.0 -33.9 8.1 -17.3 7.7 339 339 A F H 3X S+ 0 0 38 -4,-1.8 4,-3.4 1,-0.3 5,-0.3 0.782 87.4 73.6 -61.4 -27.0 10.5 -15.2 5.6 340 340 A W H 3X S+ 0 0 103 -4,-1.5 4,-0.7 -3,-0.3 -1,-0.3 0.826 97.9 47.3 -56.5 -32.5 9.8 -12.3 8.0 341 341 A Y H <> S+ 0 0 189 -3,-1.5 4,-1.6 -4,-0.3 -1,-0.3 0.807 114.4 46.1 -78.9 -31.5 11.9 -14.1 10.6 342 342 A A H X S+ 0 0 49 -4,-0.9 4,-2.4 -3,-0.2 5,-0.2 0.881 106.0 57.8 -77.8 -40.7 14.7 -14.7 8.1 343 343 A V H X S+ 0 0 29 -4,-3.4 4,-2.0 2,-0.2 5,-0.4 0.808 109.7 47.8 -59.4 -30.1 14.7 -11.2 6.7 344 344 A R H X>S+ 0 0 144 -4,-0.7 4,-2.6 -5,-0.3 5,-0.7 0.977 114.4 40.7 -75.0 -60.6 15.4 -9.9 10.2 345 345 A T H <5S+ 0 0 84 -4,-1.6 4,-0.4 1,-0.2 5,-0.3 0.787 119.5 50.7 -58.8 -27.8 18.3 -12.3 11.2 346 346 A A H X5S+ 0 0 21 -4,-2.4 4,-1.1 3,-0.2 -1,-0.2 0.947 124.4 23.7 -75.5 -52.3 19.6 -11.8 7.7 347 347 A V H X5S+ 0 0 35 -4,-2.0 4,-2.1 -5,-0.2 -3,-0.2 0.948 124.3 50.1 -79.2 -54.3 19.6 -8.0 7.5 348 348 A I H X5S+ 0 0 99 -4,-2.6 4,-0.5 -5,-0.4 3,-0.4 0.944 116.6 41.0 -49.4 -58.2 19.7 -7.2 11.2 349 349 A N H >>< S+ 0 0 8 -4,-1.1 3,-0.6 -5,-0.3 5,-0.4 0.802 107.4 53.8 -55.6 -29.8 24.5 -8.5 8.7 351 351 A A H 3< S+ 0 0 41 -4,-2.1 -1,-0.3 -3,-0.4 -2,-0.2 0.580 90.0 77.9 -81.3 -10.7 24.0 -4.9 9.8 352 352 A S H << S- 0 0 76 -3,-2.2 -1,-0.2 -4,-0.5 -2,-0.2 0.813 105.3-120.6 -67.7 -30.2 25.7 -5.7 13.1 353 353 A G S << S+ 0 0 53 -4,-0.6 -3,-0.1 -3,-0.6 -1,-0.1 0.041 99.8 73.8 112.5 -25.3 29.1 -5.6 11.5 354 354 A R S S+ 0 0 216 -5,-0.4 2,-0.3 2,-0.0 -4,-0.1 -0.198 85.3 76.8-112.8 39.8 30.1 -9.1 12.2 355 355 A Q - 0 0 90 -5,-0.4 2,-0.3 -6,-0.1 -2,-0.2 -0.997 58.1-155.4-149.6 145.7 27.9 -10.9 9.8 356 356 A T >> - 0 0 72 -2,-0.3 3,-1.6 1,-0.1 4,-1.2 -0.923 26.4-127.1-124.2 148.9 27.8 -11.5 6.0 357 357 A V H 3> S+ 0 0 16 -2,-0.3 4,-3.4 1,-0.3 5,-0.4 0.792 105.2 74.2 -61.0 -28.2 24.9 -12.2 3.6 358 358 A D H 3> S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 5,-0.4 0.808 100.9 43.6 -55.4 -30.4 26.9 -15.2 2.4 359 359 A E H <> S+ 0 0 128 -3,-1.6 4,-2.5 3,-0.2 5,-0.5 0.948 116.8 41.8 -80.0 -54.7 25.9 -16.9 5.7 360 360 A A H < S+ 0 0 36 -4,-1.2 4,-0.5 3,-0.2 -2,-0.2 0.808 124.4 41.1 -62.7 -30.1 22.2 -15.8 5.8 361 361 A L H X S+ 0 0 13 -4,-3.4 4,-1.8 -5,-0.2 -3,-0.2 0.949 121.4 37.3 -82.2 -56.6 21.9 -16.6 2.1 362 362 A K H X S+ 0 0 148 -4,-1.7 4,-1.0 -5,-0.4 3,-0.3 0.954 120.2 47.1 -60.7 -52.3 23.9 -19.8 1.9 363 363 A D H X S+ 0 0 103 -4,-2.5 4,-1.5 -5,-0.4 3,-0.4 0.847 111.8 52.9 -58.6 -34.9 22.7 -21.1 5.2 364 364 A A H > S+ 0 0 35 -4,-0.5 4,-3.8 -5,-0.5 5,-0.3 0.841 98.6 63.3 -70.0 -33.9 19.1 -20.2 4.2 365 365 A Q H X S+ 0 0 69 -4,-1.8 4,-0.9 -3,-0.3 -1,-0.2 0.823 107.0 44.5 -59.9 -31.6 19.5 -22.1 0.9 366 366 A T H X S+ 0 0 75 -4,-1.0 4,-2.5 -3,-0.4 -1,-0.2 0.857 117.5 43.2 -80.7 -38.2 19.9 -25.3 3.0 367 367 A R H < S+ 0 0 175 -4,-1.5 -2,-0.2 2,-0.2 -3,-0.2 0.905 111.1 53.9 -73.7 -43.4 17.0 -24.5 5.4 368 368 A I H < S+ 0 0 56 -4,-3.8 -1,-0.2 1,-0.2 -2,-0.2 0.850 117.6 38.3 -59.5 -35.4 14.7 -23.3 2.7 369 369 A T H < 0 0 101 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.946 360.0 360.0 -80.3 -54.4 15.2 -26.6 0.8 370 370 A K < 0 0 190 -4,-2.5 -1,-0.3 -5,-0.1 0, 0.0 -0.989 360.0 360.0-126.9 360.0 15.3 -29.0 3.8