==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING, METAL BINDING PROTEIN 27-APR-05 1ZIU . COMPND 2 MOLECULE: MALTOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.G.TELMER,B.H.SHILTON . 369 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 69.4 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 . 41 11.1 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 . 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 . 15 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 33.9 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 1 2 2 1 2 3 0 2 0 0 2 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 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 . 3 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 0 213 0, 0.0 2,-0.4 0, 0.0 54,-0.2 0.000 360.0 360.0 360.0 164.9 -7.7 -15.1 3.7 2 2 A I - 0 0 19 52,-0.8 2,-0.1 267,-0.4 53,-0.0 -0.628 360.0-120.1 -81.8 127.8 -7.8 -11.4 2.9 3 3 A E - 0 0 127 -2,-0.4 3,-0.4 267,-0.1 2,-0.3 -0.337 21.2-139.4 -64.7 140.5 -8.7 -10.5 -0.7 4 4 A E S S+ 0 0 149 1,-0.2 3,-0.1 266,-0.1 268,-0.1 -0.700 77.7 52.0 -97.4 152.8 -6.2 -8.5 -2.7 5 5 A G S S+ 0 0 41 -2,-0.3 29,-0.4 1,-0.3 2,-0.3 0.539 103.5 48.3 101.8 6.1 -7.3 -5.7 -5.1 6 6 A K S S- 0 0 64 -3,-0.4 2,-0.5 27,-0.1 -1,-0.3 -0.967 74.3-114.6-163.4 170.5 -9.5 -3.7 -2.7 7 7 A L E -a 35 0A 0 27,-2.1 29,-3.3 -2,-0.3 2,-0.5 -0.975 19.4-167.1-123.3 124.3 -9.5 -2.1 0.8 8 8 A V E -a 36 0A 21 -2,-0.5 50,-2.1 27,-0.2 51,-2.0 -0.937 10.4-167.3-110.5 122.6 -11.9 -3.2 3.5 9 9 A I E -ab 37 59A 0 27,-3.4 29,-3.3 -2,-0.5 2,-0.4 -0.919 8.1-161.5-114.6 136.7 -12.2 -0.9 6.5 10 10 A W E +ab 38 60A 14 49,-2.3 51,-2.5 -2,-0.4 2,-0.3 -0.950 21.7 157.4-114.5 132.0 -13.8 -1.7 9.9 11 11 A I - 0 0 3 27,-1.8 51,-0.1 -2,-0.4 4,-0.0 -0.982 46.8 -86.0-150.2 153.1 -14.7 1.2 12.2 12 12 A N > - 0 0 44 -2,-0.3 3,-1.8 49,-0.3 5,-0.2 -0.295 34.8-122.0 -63.9 145.2 -17.2 1.6 15.1 13 13 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.1 27,-0.3 4,-0.1 0.613 109.4 65.8 -62.5 -12.2 -20.8 2.5 14.1 14 14 A D T 3 S+ 0 0 93 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.254 91.4 82.0 -94.4 13.2 -20.5 5.6 16.3 15 15 A K S < S- 0 0 53 -3,-1.8 2,-2.6 -4,-0.0 3,-0.3 -0.674 100.0 -88.7-111.6 168.0 -17.9 7.1 14.0 16 16 A G > + 0 0 0 281,-0.4 4,-1.8 -2,-0.2 3,-0.3 -0.379 59.9 154.3 -76.1 68.1 -18.2 9.0 10.7 17 17 A Y H > S+ 0 0 58 -2,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.778 70.7 57.8 -67.6 -26.0 -18.1 5.9 8.5 18 18 A N H > S+ 0 0 84 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.855 106.8 50.8 -70.1 -33.6 -20.0 7.7 5.7 19 19 A G H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.905 106.0 52.5 -68.8 -42.4 -17.2 10.3 5.8 20 20 A L H X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.891 107.5 54.9 -59.3 -37.5 -14.5 7.6 5.5 21 21 A A H X S+ 0 0 37 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.861 104.1 52.5 -63.8 -37.2 -16.4 6.3 2.5 22 22 A E H X S+ 0 0 119 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.890 109.4 48.7 -67.0 -37.6 -16.3 9.7 0.9 23 23 A V H X S+ 0 0 9 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.858 108.6 56.6 -67.2 -32.8 -12.5 9.7 1.4 24 24 A G H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.851 101.3 55.7 -65.6 -34.3 -12.7 6.2 -0.1 25 25 A K H X S+ 0 0 135 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.839 107.7 47.4 -67.8 -33.7 -14.4 7.7 -3.2 26 26 A K H X S+ 0 0 107 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.854 111.9 50.8 -75.0 -34.9 -11.5 10.1 -3.9 27 27 A F H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 6,-0.4 0.911 108.7 51.9 -65.7 -43.7 -9.0 7.3 -3.4 28 28 A E H X S+ 0 0 44 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.852 104.1 58.1 -61.6 -37.7 -10.9 5.1 -5.8 29 29 A K H < S+ 0 0 167 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 113.8 36.6 -60.9 -41.7 -10.8 7.9 -8.4 30 30 A D H < S+ 0 0 75 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.686 131.7 26.0 -87.7 -20.4 -7.0 8.1 -8.4 31 31 A T H < S- 0 0 54 -4,-1.8 -3,-0.2 2,-0.2 -2,-0.2 0.583 91.4-127.7-117.6 -16.6 -6.2 4.4 -8.0 32 32 A G < + 0 0 58 -4,-2.5 2,-0.4 -5,-0.3 -4,-0.2 0.508 69.0 128.7 79.5 3.2 -9.2 2.6 -9.4 33 33 A I - 0 0 34 -6,-0.4 2,-0.3 -9,-0.1 -1,-0.3 -0.800 55.1-133.2 -97.1 132.2 -9.3 0.6 -6.2 34 34 A K - 0 0 124 -2,-0.4 -27,-2.1 -29,-0.4 2,-0.5 -0.635 11.5-147.2 -87.4 139.8 -12.7 0.4 -4.3 35 35 A V E -a 7 0A 25 -2,-0.3 2,-0.5 -29,-0.2 -27,-0.2 -0.910 7.9-162.1-109.0 126.7 -12.9 1.0 -0.6 36 36 A T E -a 8 0A 55 -29,-3.3 -27,-3.4 -2,-0.5 2,-0.5 -0.914 3.2-162.2-108.5 131.8 -15.5 -0.8 1.5 37 37 A V E +a 9 0A 29 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.957 14.5 173.1-118.4 117.6 -16.4 0.5 5.0 38 38 A E E -a 10 0A 86 -29,-3.3 -27,-1.8 -2,-0.5 -2,-0.0 -0.871 22.6-158.6-122.1 155.8 -18.1 -1.8 7.5 39 39 A H - 0 0 74 -2,-0.3 -26,-0.1 -29,-0.2 -27,-0.1 -0.691 18.2-170.0-134.6 80.3 -19.0 -1.4 11.1 40 40 A P > - 0 0 20 0, 0.0 3,-0.7 0, 0.0 -27,-0.3 -0.277 31.0-104.0 -66.6 154.8 -19.5 -4.8 12.7 41 41 A D T 3 S+ 0 0 142 1,-0.3 5,-0.1 2,-0.1 4,-0.0 -0.562 106.6 15.7 -77.6 148.2 -21.0 -5.1 16.2 42 42 A K T >> S+ 0 0 163 -2,-0.2 4,-2.2 3,-0.1 3,-0.9 0.922 79.4 169.0 53.2 47.8 -18.4 -5.8 18.9 43 43 A L H <> + 0 0 0 -3,-0.7 4,-2.7 1,-0.2 -2,-0.1 0.887 68.7 58.1 -56.9 -45.7 -15.7 -4.9 16.5 44 44 A E H 34 S+ 0 0 52 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.728 114.2 39.5 -60.3 -23.4 -12.9 -4.8 19.1 45 45 A E H <> S+ 0 0 112 -3,-0.9 4,-0.7 2,-0.1 -1,-0.2 0.763 115.1 51.1 -95.5 -32.3 -13.7 -8.5 19.9 46 46 A K H X S+ 0 0 90 -4,-2.2 4,-2.3 2,-0.2 3,-0.5 0.909 101.0 61.2 -73.6 -42.5 -14.3 -9.6 16.3 47 47 A F H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.927 104.0 46.9 -52.3 -53.3 -11.1 -8.3 14.8 48 48 A P H > S+ 0 0 36 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.814 112.4 53.2 -61.3 -26.9 -8.7 -10.3 17.0 49 49 A Q H < S+ 0 0 129 -4,-0.7 4,-0.4 -3,-0.5 -2,-0.2 0.933 117.7 33.1 -72.9 -46.9 -10.8 -13.5 16.3 50 50 A V H ><>S+ 0 0 32 -4,-2.3 5,-2.1 1,-0.2 3,-1.0 0.868 115.3 57.0 -77.9 -37.8 -10.7 -13.2 12.5 51 51 A A H ><5S+ 0 0 8 -4,-3.2 3,-1.6 -5,-0.3 -1,-0.2 0.818 97.3 65.0 -62.8 -30.8 -7.2 -11.6 12.2 52 52 A A T 3<5S+ 0 0 73 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.814 103.0 47.1 -62.1 -29.5 -5.9 -14.7 14.1 53 53 A T T < 5S- 0 0 98 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.342 126.6 -98.5 -94.8 7.9 -6.9 -16.8 11.1 54 54 A G T < 5S+ 0 0 21 -3,-1.6 -52,-0.8 1,-0.3 -3,-0.2 0.689 92.5 102.3 84.0 20.4 -5.3 -14.5 8.6 55 55 A D < + 0 0 55 -5,-2.1 -1,-0.3 -54,-0.2 214,-0.2 -0.543 35.5 77.8-121.6-172.6 -8.7 -12.9 7.7 56 56 A G S S- 0 0 24 -2,-0.2 -48,-0.1 -55,-0.1 -9,-0.0 -0.554 80.5 -25.0 106.2-172.0 -10.5 -9.7 8.5 57 57 A P - 0 0 0 0, 0.0 -48,-0.2 0, 0.0 210,-0.1 -0.239 46.8-129.0 -73.6 165.7 -10.3 -6.1 7.3 58 58 A D S S+ 0 0 0 -50,-2.1 209,-2.7 1,-0.3 2,-0.4 0.833 98.4 30.2 -79.6 -34.8 -7.2 -4.5 5.7 59 59 A I E -bC 9 266A 0 -51,-2.0 -49,-2.3 207,-0.2 2,-0.4 -0.986 69.3-163.8-130.5 135.3 -7.6 -1.6 8.1 60 60 A I E -bC 10 265A 0 205,-2.6 205,-3.0 -2,-0.4 2,-0.5 -0.971 5.2-157.4-121.5 128.2 -9.1 -1.5 11.7 61 61 A F E + C 0 264A 2 -51,-2.5 -49,-0.3 -2,-0.4 2,-0.3 -0.901 34.9 125.1-105.8 130.7 -10.1 1.7 13.5 62 62 A W E - C 0 263A 18 201,-2.0 201,-2.5 -2,-0.5 5,-0.1 -0.944 66.2 -75.2-172.1 157.4 -10.3 1.7 17.3 63 63 A H E > - C 0 262A 61 -2,-0.3 3,-0.7 199,-0.3 4,-0.3 -0.191 54.4-113.8 -56.2 160.2 -8.9 3.7 20.3 64 64 A H G >> S+ 0 0 1 197,-0.9 3,-4.6 1,-0.2 4,-0.6 0.954 100.1 78.0 -72.6 -45.8 -5.3 2.7 20.8 65 65 A D G >4 S+ 0 0 46 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.689 95.0 55.6 -35.3 -27.1 -5.2 1.0 24.2 66 66 A H G <> S+ 0 0 60 -3,-0.7 4,-1.2 1,-0.2 3,-0.3 0.705 93.1 70.3 -80.3 -20.3 -6.6 -2.1 22.4 67 67 A F H <> S+ 0 0 1 -3,-4.6 4,-2.7 -4,-0.3 -1,-0.2 0.684 84.7 67.7 -71.6 -19.3 -3.8 -2.2 19.9 68 68 A G H S+ 0 0 41 -4,-0.4 4,-1.3 -3,-0.3 -1,-0.2 0.862 113.4 51.6 -67.5 -35.8 -2.9 -6.6 22.8 70 70 A Y H <>S+ 0 0 13 -4,-1.2 5,-2.5 1,-0.2 3,-0.4 0.932 110.7 47.2 -65.9 -45.8 -3.3 -6.9 19.0 71 71 A A H ><5S+ 0 0 20 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.834 104.6 61.3 -64.8 -32.9 0.4 -6.2 18.4 72 72 A Q H 3<5S+ 0 0 126 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.884 108.2 44.0 -60.8 -37.1 1.3 -8.7 21.1 73 73 A S T 3<5S- 0 0 91 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.350 118.5-112.1 -89.3 4.5 -0.4 -11.4 19.0 74 74 A G T < 5S+ 0 0 48 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.788 76.0 133.3 71.3 28.9 1.1 -10.2 15.7 75 75 A L < + 0 0 15 -5,-2.5 193,-2.2 -6,-0.1 2,-0.4 0.586 55.6 67.1 -86.3 -11.7 -2.2 -9.0 14.3 76 76 A L B S-F 267 0B 15 -6,-0.3 191,-0.2 191,-0.2 2,-0.2 -0.910 75.5-130.2-118.5 140.4 -0.8 -5.6 13.2 77 77 A A - 0 0 11 189,-3.1 2,-0.5 -2,-0.4 189,-0.4 -0.552 31.9-110.8 -80.2 143.8 1.7 -4.6 10.5 78 78 A E - 0 0 104 -2,-0.2 26,-0.2 187,-0.1 2,-0.1 -0.669 38.9-133.3 -71.3 125.8 4.5 -2.2 11.5 79 79 A I - 0 0 8 24,-2.0 24,-0.3 -2,-0.5 26,-0.1 -0.457 8.6-147.1 -81.2 158.7 3.6 1.0 9.6 80 80 A T + 0 0 88 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.337 28.9 160.2-123.2 53.2 6.3 2.8 7.7 81 81 A P - 0 0 7 0, 0.0 22,-0.1 0, 0.0 -2,-0.0 -0.556 36.0-128.8 -74.9 136.4 5.7 6.5 7.7 82 82 A D > - 0 0 100 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.205 30.6 -92.4 -76.4 174.9 8.8 8.6 6.9 83 83 A K H > S+ 0 0 160 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.893 124.0 56.7 -53.4 -45.6 10.2 11.4 9.1 84 84 A A H > S+ 0 0 61 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.943 109.7 43.5 -53.2 -54.3 8.3 14.0 7.1 85 85 A F H >4 S+ 0 0 7 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.902 110.9 55.2 -60.8 -42.3 4.9 12.4 7.7 86 86 A Q H >< S+ 0 0 55 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.881 102.2 56.7 -59.1 -38.9 5.6 11.8 11.4 87 87 A D H 3< S+ 0 0 88 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.646 93.9 70.2 -68.4 -12.6 6.4 15.4 11.9 88 88 A K T << S+ 0 0 109 -3,-1.5 217,-2.3 -4,-0.5 218,-0.4 0.628 97.1 60.5 -77.7 -14.0 2.9 16.2 10.5 89 89 A L B < S-G 304 0C 1 -3,-1.6 215,-0.2 -4,-0.3 214,-0.1 -0.829 99.8 -91.9-114.9 154.5 1.4 14.7 13.7 90 90 A Y >> - 0 0 33 213,-1.7 3,-1.5 -2,-0.3 4,-0.8 -0.399 36.2-125.7 -63.4 133.4 1.7 15.7 17.3 91 91 A P H >> S+ 0 0 89 0, 0.0 3,-1.0 0, 0.0 4,-0.9 0.860 105.6 57.3 -47.4 -46.8 4.6 13.8 19.0 92 92 A F H 3> S+ 0 0 37 1,-0.2 4,-0.6 2,-0.2 -2,-0.1 0.736 98.2 61.4 -63.5 -21.5 2.5 12.4 21.9 93 93 A T H <> S+ 0 0 0 -3,-1.5 4,-0.6 1,-0.2 3,-0.5 0.824 98.0 56.8 -75.5 -27.8 0.1 10.7 19.5 94 94 A W H X< S+ 0 0 10 -3,-1.0 3,-0.8 -4,-0.8 -1,-0.2 0.819 99.5 60.3 -70.1 -28.5 2.8 8.5 18.1 95 95 A D H >< S+ 0 0 59 -4,-0.9 3,-1.0 1,-0.2 -1,-0.2 0.797 97.7 60.3 -67.7 -25.7 3.5 7.3 21.6 96 96 A A H 3< S+ 0 0 2 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.726 106.6 45.2 -73.4 -22.8 -0.0 6.0 21.7 97 97 A V T << S+ 0 0 0 -3,-0.8 7,-2.7 -4,-0.6 8,-0.6 -0.064 90.3 107.8-112.3 32.7 0.6 3.7 18.7 98 98 A R E < +H 103 0D 65 -3,-1.0 2,-0.4 5,-0.2 5,-0.2 -0.926 37.1 169.4-114.2 132.0 3.9 2.3 19.8 99 99 A Y E > S-H 102 0D 43 3,-2.4 3,-2.1 -2,-0.4 76,-0.1 -0.973 72.0 -8.6-143.9 128.1 4.4 -1.3 21.0 100 100 A N T 3 S- 0 0 126 -2,-0.4 3,-0.1 1,-0.3 75,-0.1 0.863 130.2 -56.9 54.6 35.9 7.6 -3.1 21.7 101 101 A G T 3 S+ 0 0 59 73,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.489 115.5 111.9 76.8 4.6 9.3 -0.1 20.0 102 102 A K E < S-H 99 0D 103 -3,-2.1 -3,-2.4 2,-0.0 2,-0.6 -0.889 70.3-122.0-116.2 142.7 7.4 -0.4 16.8 103 103 A L E +H 98 0D 17 -2,-0.4 -24,-2.0 -24,-0.3 -5,-0.2 -0.697 34.7 171.2 -78.3 119.3 4.8 1.9 15.3 104 104 A I + 0 0 9 -7,-2.7 162,-0.4 -2,-0.6 2,-0.3 0.300 55.2 18.7-115.3 10.3 1.7 -0.3 14.8 105 105 A A S S- 0 0 0 -8,-0.6 160,-0.2 160,-0.2 -1,-0.2 -0.978 70.8-107.7-171.1 160.7 -1.0 2.3 13.8 106 106 A Y E -D 264 0A 1 158,-2.6 158,-2.3 -2,-0.3 2,-0.1 -0.870 35.9-125.3-100.8 121.9 -1.8 5.8 12.5 107 107 A P E +D 263 0A 0 0, 0.0 156,-0.2 0, 0.0 3,-0.1 -0.437 36.7 165.4 -65.9 135.9 -3.2 8.3 15.0 108 108 A I E + 0 0 3 154,-3.1 195,-2.0 1,-0.4 196,-0.5 0.743 55.9 9.6-115.3 -62.5 -6.4 9.8 13.9 109 109 A A E -DE 262 302A 2 153,-1.2 153,-1.3 193,-0.3 2,-0.5 -0.865 59.2-137.3-125.7 160.0 -8.2 11.6 16.7 110 110 A V E -DE 261 301A 0 191,-2.7 191,-1.1 -2,-0.3 2,-0.4 -0.967 18.1-170.8-120.9 124.1 -7.5 12.7 20.3 111 111 A M E +D 260 0A 36 149,-3.1 149,-2.4 -2,-0.5 2,-0.3 -0.927 17.6 144.1-117.5 138.4 -10.0 12.3 23.1 112 112 A A - 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0 0 20 0, 0.0 2,-0.1 0, 0.0 -8,-0.0 -0.273 30.9 -96.3 -63.7 148.0 -14.7 29.2 35.7 126 126 A P - 0 0 4 0, 0.0 3,-0.0 0, 0.0 6,-0.0 -0.351 21.2-154.0 -68.1 144.4 -12.3 28.4 38.5 127 127 A K S S+ 0 0 128 121,-0.1 122,-2.6 -3,-0.1 2,-0.3 0.619 76.4 50.1 -91.6 -15.7 -8.7 27.7 37.6 128 128 A T B -l 249 0F 41 120,-0.3 3,-0.4 1,-0.1 4,-0.2 -0.916 69.2-137.9-127.0 152.9 -8.0 25.5 40.7 129 129 A W S > S+ 0 0 3 120,-3.0 3,-2.0 -2,-0.3 121,-0.1 0.890 101.8 66.9 -68.5 -39.0 -9.7 22.6 42.4 130 130 A E T 3 S+ 0 0 76 119,-0.4 4,-0.4 1,-0.3 -1,-0.2 0.756 95.0 54.3 -55.0 -30.1 -9.0 24.2 45.8 131 131 A E T 3> S+ 0 0 86 -3,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.530 86.3 86.0 -85.5 -3.1 -11.4 27.1 45.2 132 132 A I H <> S+ 0 0 4 -3,-2.0 4,-2.9 -4,-0.2 5,-0.3 0.900 79.7 59.2 -65.3 -43.1 -14.3 24.8 44.4 133 133 A P H > S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.956 110.8 41.1 -51.7 -53.6 -15.5 24.3 48.0 134 134 A A H > S+ 0 0 60 -4,-0.4 4,-1.2 1,-0.2 -2,-0.2 0.851 113.4 54.8 -62.6 -35.6 -16.0 28.0 48.6 135 135 A L H X S+ 0 0 25 -4,-1.6 4,-2.3 1,-0.2 3,-0.4 0.915 108.3 48.6 -64.4 -42.0 -17.6 28.4 45.2 136 136 A D H X S+ 0 0 3 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.897 106.3 56.6 -64.9 -39.2 -20.1 25.7 46.0 137 137 A K H < S+ 0 0 157 -4,-2.2 4,-0.5 -5,-0.3 -1,-0.2 0.802 110.2 46.9 -62.7 -26.6 -20.9 27.3 49.3 138 138 A E H < S+ 0 0 118 -4,-1.2 4,-0.3 -3,-0.4 3,-0.3 0.923 115.1 43.5 -76.4 -50.4 -21.8 30.5 47.3 139 139 A L H ><>S+ 0 0 10 -4,-2.3 3,-2.9 1,-0.2 5,-2.1 0.912 105.4 59.6 -64.9 -46.7 -23.9 28.7 44.7 140 140 A K G ><5S+ 0 0 96 -4,-3.1 3,-1.9 1,-0.3 -1,-0.2 0.840 98.3 64.0 -52.2 -30.6 -25.8 26.4 47.1 141 141 A A G 3 5S+ 0 0 85 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.738 104.0 45.8 -64.6 -22.4 -27.0 29.7 48.6 142 142 A K G < 5S- 0 0 159 -3,-2.9 -1,-0.3 -4,-0.3 -2,-0.2 0.127 128.8 -97.3-106.0 17.7 -28.7 30.4 45.3 143 143 A G T < 5S+ 0 0 67 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.642 94.8 99.0 77.5 14.9 -30.2 26.9 45.1 144 144 A K < - 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0 0 2 -3,-1.9 3,-0.5 -212,-0.2 -266,-0.1 -0.454 49.9-161.9 -71.5 131.7 -3.4 -7.9 4.5 271 271 A P S S+ 0 0 46 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.314 88.5 68.7 -89.4 7.5 -1.9 -8.3 0.9 272 272 A N > + 0 0 3 -5,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.197 53.8 128.1-119.5 41.3 -2.9 -4.7 0.5 273 273 A K H > S+ 0 0 77 -3,-0.5 4,-1.6 1,-0.2 5,-0.1 0.783 75.1 52.5 -68.6 -27.0 -0.4 -2.9 2.8 274 274 A E H > S+ 0 0 151 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 110.3 47.3 -74.5 -40.7 0.7 -0.5 0.1 275 275 A L H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.888 111.9 51.1 -65.7 -39.6 -2.9 0.6 -0.7 276 276 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.890 110.3 47.9 -64.9 -45.9 -3.7 1.0 3.1 277 277 A K H X S+ 0 0 67 -4,-1.6 4,-3.3 2,-0.2 5,-0.5 0.948 113.2 48.6 -59.5 -51.8 -0.7 3.3 3.7 278 278 A E H X S+ 0 0 73 -4,-2.0 4,-2.2 1,-0.2 5,-0.3 0.927 114.9 45.1 -54.3 -49.5 -1.5 5.4 0.6 279 279 A F H X>S+ 0 0 0 -4,-2.5 5,-2.4 3,-0.2 4,-1.1 0.920 118.8 41.5 -63.1 -46.3 -5.1 5.7 1.7 280 280 A L H <>S+ 0 0 0 -4,-2.8 5,-2.5 3,-0.2 -2,-0.2 0.933 123.7 34.8 -68.7 -47.8 -4.3 6.5 5.3 281 281 A E H <5S+ 0 0 16 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.920 129.4 28.8 -76.8 -46.5 -1.4 8.8 4.8 282 282 A N H <5S+ 0 0 70 -4,-2.2 -3,-0.2 -5,-0.5 -2,-0.2 0.476 131.8 25.1-102.7 1.2 -2.3 10.7 1.6 283 283 A Y T <5S+ 0 0 25 -4,-1.1 3,-0.4 -5,-0.3 -3,-0.2 0.651 128.3 30.3-126.4 -46.0 -6.1 10.7 1.7 284 284 A L T S- 0 0 24 -2,-2.4 4,-2.8 -3,-0.4 5,-0.3 -0.901 90.8-106.5-137.0 163.7 -5.1 15.3 5.2 287 287 A D H > S+ 0 0 62 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.929 123.3 47.1 -57.5 -45.4 -7.1 18.4 5.9 288 288 A E H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.886 113.4 49.1 -64.5 -39.4 -9.7 17.4 3.3 289 289 A G H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.957 113.5 42.5 -66.1 -52.6 -9.8 13.8 4.6 290 290 A L H X S+ 0 0 0 -4,-2.8 4,-3.3 -6,-0.4 5,-0.2 0.857 111.3 57.6 -63.2 -35.1 -10.3 14.6 8.3 291 291 A E H X S+ 0 0 94 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.916 105.5 50.5 -61.0 -42.6 -12.8 17.3 7.3 292 292 A A H X S+ 0 0 17 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.925 115.9 40.7 -60.6 -47.2 -14.9 14.7 5.5 293 293 A V H X S+ 0 0 5 -4,-1.9 4,-2.3 -274,-0.2 3,-0.4 0.909 115.3 51.9 -67.8 -43.8 -14.9 12.4 8.5 294 294 A N H < S+ 0 0 29 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.831 106.2 53.4 -63.5 -35.7 -15.4 15.2 11.0 295 295 A K H < S+ 0 0 151 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.773 109.8 49.1 -71.8 -25.4 -18.4 16.6 9.1 296 296 A D H < S- 0 0 53 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.949 139.3 -9.7 -76.0 -51.8 -20.1 13.2 9.2 297 297 A K S < S- 0 0 60 -4,-2.3 -281,-0.4 -281,-0.1 -1,-0.3 -0.943 87.4-104.1-148.8 122.2 -19.5 12.7 12.9 298 298 A P - 0 0 113 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 -0.181 23.0-163.7 -51.1 132.9 -17.3 15.1 14.9 299 299 A L - 0 0 18 1,-0.4 2,-0.4 -9,-0.1 -37,-0.1 0.612 26.9-142.6 -91.8 -15.0 -13.9 13.6 15.8 300 300 A G + 0 0 4 -6,-0.1 -1,-0.4 -71,-0.1 2,-0.2 -0.760 66.8 1.8 84.0-134.3 -13.2 16.1 18.5 301 301 A A E S-E 110 0A 0 -191,-1.1 -191,-2.7 -2,-0.4 2,-0.3 -0.550 79.2-145.0 -83.2 153.9 -9.4 17.0 18.4 302 302 A V E -E 109 0A 0 -193,-0.3 -193,-0.3 -2,-0.2 -194,-0.1 -0.832 18.0-131.9-121.3 161.5 -7.2 15.4 15.8 303 303 A A S S+ 0 0 0 -195,-2.0 -213,-1.7 -2,-0.3 2,-0.6 0.744 82.0 94.9 -80.1 -23.7 -3.7 14.2 15.6 304 304 A L B > -G 89 0C 3 -196,-0.5 4,-2.7 -215,-0.2 -215,-0.2 -0.597 67.9-150.3 -73.8 115.3 -2.9 16.0 12.3 305 305 A K H > S+ 0 0 66 -217,-2.3 4,-2.2 -2,-0.6 5,-0.2 0.893 90.4 52.7 -51.6 -51.4 -1.3 19.4 13.2 306 306 A S H > S+ 0 0 54 -218,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.917 116.4 37.6 -55.8 -48.6 -2.5 21.3 10.2 307 307 A Y H >> S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 3,-0.6 0.873 111.7 58.6 -74.6 -34.8 -6.2 20.4 10.6 308 308 A E H 3X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.3 -2,-0.2 0.897 101.4 56.6 -60.1 -39.0 -6.1 20.6 14.4 309 309 A E H 3< S+ 0 0 133 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.826 110.9 44.5 -62.6 -29.5 -5.0 24.2 14.2 310 310 A E H X< S+ 0 0 99 -4,-0.7 3,-1.4 -3,-0.6 -2,-0.2 0.911 113.9 47.4 -79.4 -45.1 -8.1 24.9 12.1 311 311 A L H >< S+ 0 0 18 -4,-2.7 3,-2.1 1,-0.3 6,-0.3 0.812 98.4 72.6 -64.2 -30.6 -10.5 22.9 14.3 312 312 A A T 3< S+ 0 0 33 -4,-2.6 -1,-0.3 1,-0.3 6,-0.2 0.424 70.6 85.4 -67.1 1.0 -9.0 24.7 17.4 313 313 A K T < S+ 0 0 158 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.1 0.738 78.8 76.6 -73.0 -22.9 -10.8 27.9 16.3 314 314 A D S X> S- 0 0 44 -3,-2.1 4,-1.9 -4,-0.2 3,-0.9 -0.821 84.6-147.3 -81.2 112.1 -13.5 26.2 18.3 315 315 A P H 3> S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.768 94.7 62.3 -54.1 -26.5 -12.5 26.7 22.0 316 316 A R H 3> S+ 0 0 61 2,-0.2 4,-1.7 1,-0.2 -4,-0.1 0.908 107.4 42.3 -66.7 -41.3 -14.0 23.4 23.0 317 317 A I H <> S+ 0 0 12 -3,-0.9 4,-2.3 -6,-0.3 -1,-0.2 0.867 112.5 52.9 -72.7 -38.2 -11.6 21.5 20.7 318 318 A A H X S+ 0 0 35 -4,-1.9 4,-2.6 -7,-0.2 -2,-0.2 0.925 109.9 50.1 -61.2 -44.0 -8.6 23.6 21.7 319 319 A A H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.889 107.2 54.2 -59.8 -42.0 -9.5 22.8 25.3 320 320 A T H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.938 111.9 43.6 -59.6 -47.4 -9.7 19.1 24.5 321 321 A M H X S+ 0 0 9 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.897 111.3 54.7 -66.6 -40.0 -6.2 19.2 23.0 322 322 A E H X S+ 0 0 72 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.941 111.3 43.9 -58.9 -49.0 -4.8 21.3 25.9 323 323 A N H X S+ 0 0 2 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.865 112.5 54.7 -64.0 -35.3 -6.1 18.8 28.5 324 324 A A H >< S+ 0 0 2 -4,-2.0 3,-0.5 -5,-0.2 -2,-0.2 0.905 107.2 48.3 -64.9 -43.0 -4.8 15.9 26.3 325 325 A Q H 3< S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.779 114.8 46.9 -68.8 -25.7 -1.2 17.4 26.1 326 326 A K H 3< S+ 0 0 78 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.551 109.5 69.3 -90.6 -9.9 -1.3 17.8 29.9 327 327 A G S << S- 0 0 9 -4,-0.7 2,-0.4 -3,-0.5 -69,-0.2 -0.032 87.4 -96.6 -93.6-162.0 -2.7 14.4 30.5 328 328 A E E -p 258 0J 87 -71,-2.0 -69,-2.4 -2,-0.0 2,-0.1 -0.984 31.2-113.6-127.0 132.4 -1.3 10.9 30.1 329 329 A I E -p 259 0J 22 -2,-0.4 -69,-0.2 -71,-0.2 -71,-0.1 -0.397 43.7-103.8 -59.9 132.3 -1.7 8.5 27.2 330 330 A M - 0 0 25 -71,-2.5 -1,-0.1 1,-0.1 -69,-0.1 -0.403 41.6-112.1 -59.5 124.4 -3.7 5.5 28.2 331 331 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -235,-0.1 -0.358 18.9-150.7 -61.9 140.1 -1.3 2.6 28.7 332 332 A N + 0 0 13 -234,-0.2 -2,-0.1 -264,-0.1 -263,-0.0 0.085 59.0 110.0-100.0 23.1 -1.7 -0.2 26.0 333 333 A I S > S- 0 0 24 -265,-0.1 3,-1.6 1,-0.1 4,-0.2 -0.628 78.3-116.6 -97.0 156.5 -0.5 -3.1 28.2 334 334 A P T > S+ 0 0 88 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.762 109.1 69.3 -62.5 -24.3 -2.8 -5.9 29.6 335 335 A Q T 3> S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.630 78.2 81.6 -70.1 -12.0 -2.1 -4.8 33.2 336 336 A M H <> S+ 0 0 10 -3,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.803 84.3 59.2 -63.7 -28.9 -4.1 -1.6 32.6 337 337 A S H <> S+ 0 0 79 -3,-1.2 4,-2.2 -4,-0.2 -1,-0.2 0.883 103.5 51.7 -67.2 -36.4 -7.3 -3.6 33.2 338 338 A A H > S+ 0 0 37 -4,-0.4 4,-2.6 -3,-0.4 5,-0.2 0.893 108.9 50.8 -65.8 -40.4 -6.0 -4.5 36.7 339 339 A F H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.941 109.4 50.8 -62.2 -47.8 -5.3 -0.8 37.5 340 340 A E H X S+ 0 0 79 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.918 114.4 41.8 -58.9 -46.2 -8.8 0.2 36.4 341 341 A Y H X S+ 0 0 137 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.949 117.4 47.9 -66.3 -46.9 -10.6 -2.4 38.6 342 342 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.916 116.0 42.6 -59.5 -47.7 -8.3 -1.7 41.5 343 343 A V H X S+ 0 0 0 -4,-3.2 4,-2.4 -5,-0.2 5,-0.2 0.853 110.2 57.1 -69.6 -34.1 -8.6 2.0 41.4 344 344 A R H X S+ 0 0 86 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.925 111.4 43.6 -62.3 -42.1 -12.3 1.9 40.7 345 345 A T H X S+ 0 0 33 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.914 110.8 54.9 -69.0 -42.8 -12.7 -0.1 44.0 346 346 A A H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.901 109.5 45.9 -58.3 -45.0 -10.3 2.2 45.9 347 347 A V H X S+ 0 0 7 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.927 113.6 49.1 -66.3 -43.5 -12.2 5.4 45.1 348 348 A I H X S+ 0 0 57 -4,-1.7 4,-1.6 -5,-0.2 6,-0.2 0.902 113.4 47.1 -61.8 -42.1 -15.6 3.8 45.9 349 349 A N H X>S+ 0 0 21 -4,-2.7 4,-2.0 2,-0.2 6,-1.9 0.861 115.7 44.1 -69.5 -36.4 -14.3 2.4 49.2 350 350 A A H <5S+ 0 0 2 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.913 113.7 50.5 -73.7 -42.6 -12.7 5.7 50.2 351 351 A A H <5S+ 0 0 14 -4,-2.9 -2,-0.2 -5,-0.2 -145,-0.2 0.795 115.4 43.7 -64.8 -30.1 -15.7 7.8 49.1 352 352 A S H <5S- 0 0 78 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.930 111.3-112.6 -81.8 -49.9 -18.1 5.6 51.1 353 353 A G T <5S+ 0 0 54 -4,-2.0 -3,-0.2 2,-0.2 -4,-0.1 0.385 84.9 115.5 126.4 6.0 -16.2 5.2 54.3 354 354 A R S - 0 0 88 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.466 39.5-106.1 -81.9 161.7 -9.5 5.4 54.5 357 357 A V H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.919 119.8 50.1 -54.7 -46.5 -7.7 7.0 51.5 358 358 A D H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 114.7 41.8 -62.0 -43.3 -4.3 5.5 52.6 359 359 A E H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 113.4 53.2 -71.9 -38.9 -5.6 2.0 53.0 360 360 A A H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.942 114.2 41.7 -60.6 -48.0 -7.7 2.0 49.9 361 361 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.843 111.8 55.1 -70.3 -32.8 -4.8 3.1 47.7 362 362 A K H X S+ 0 0 75 -4,-1.8 4,-2.5 -5,-0.3 5,-0.2 0.945 109.6 47.6 -64.8 -44.0 -2.4 0.7 49.5 363 363 A D H X S+ 0 0 65 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.921 113.4 46.9 -62.0 -45.3 -4.7 -2.2 48.7 364 364 A A H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.927 111.0 52.5 -62.7 -45.5 -5.1 -1.1 45.0 365 365 A Q H X S+ 0 0 22 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.953 112.8 43.9 -53.5 -54.1 -1.4 -0.6 44.6 366 366 A T H < S+ 0 0 96 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.833 113.0 52.8 -61.9 -34.8 -0.6 -4.1 46.0 367 367 A R H < S+ 0 0 132 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.895 111.1 46.3 -68.8 -39.1 -3.4 -5.5 43.8 368 368 A I H < 0 0 13 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.875 360.0 360.0 -71.5 -40.2 -2.0 -4.0 40.6 369 369 A T < 0 0 73 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.443 360.0 360.0 -84.9 360.0 1.6 -5.0 41.2