==== 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 04-SEP-00 1FQB . COMPND 2 MOLECULE: MALTODEXTRIN-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.DUAN,J.A.HALL,H.NIKAIDO,F.A.QUIOCHO . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 71.1 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 . 38 10.3 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 . 21 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 33.5 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 1 0 2 0 3 3 0 2 0 0 2 0 0 1 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 . 5 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 A 0 0 104 0, 0.0 54,-0.2 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 37.8 42.6 11.1 33.6 2 2 A I - 0 0 25 268,-0.1 2,-0.1 1,-0.1 53,-0.0 0.830 360.0 -99.0 51.4 120.4 38.9 11.6 34.2 3 3 A E > - 0 0 143 1,-0.1 3,-0.5 267,-0.1 2,-0.2 -0.386 34.5-130.1 -68.7 137.6 37.8 13.4 37.4 4 4 A E T 3 S+ 0 0 128 1,-0.2 3,-0.1 -2,-0.1 268,-0.1 -0.611 80.3 39.2 -89.6 146.5 36.5 11.2 40.2 5 5 A G T 3 S+ 0 0 24 1,-0.3 29,-0.4 -2,-0.2 2,-0.3 0.555 103.9 57.2 98.5 7.2 33.3 11.8 42.1 6 6 A K S < S- 0 0 30 -3,-0.5 2,-0.4 27,-0.1 -1,-0.3 -0.908 73.8-114.2-153.2 177.6 30.9 12.9 39.2 7 7 A L E -a 35 0A 0 27,-2.3 29,-3.4 -2,-0.3 2,-0.5 -0.990 16.5-168.5-128.9 129.3 29.6 11.7 35.9 8 8 A V E -a 36 0A 31 -2,-0.4 50,-2.0 27,-0.2 51,-2.0 -0.975 15.4-167.5-113.9 123.8 30.2 13.2 32.5 9 9 A I E -ab 37 59A 0 27,-3.4 29,-3.3 -2,-0.5 2,-0.5 -0.933 10.0-158.1-119.6 138.3 27.9 11.9 29.8 10 10 A W E +ab 38 60A 24 49,-2.5 51,-2.3 -2,-0.4 2,-0.3 -0.957 20.8 160.6-114.9 127.9 28.2 12.2 26.0 11 11 A I - 0 0 5 27,-2.2 51,-0.1 -2,-0.5 32,-0.1 -0.985 43.1 -92.6-143.4 149.1 25.2 11.8 23.8 12 12 A N > - 0 0 43 -2,-0.3 3,-1.9 49,-0.3 5,-0.2 -0.243 31.8-117.4 -64.8 150.2 24.5 13.0 20.2 13 13 A G T 3 S+ 0 0 31 1,-0.3 -1,-0.1 27,-0.3 4,-0.1 0.592 111.1 62.2 -63.1 -11.7 22.9 16.3 19.5 14 14 A D T 3 S+ 0 0 84 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.310 94.4 79.1 -97.7 9.8 19.9 14.6 17.9 15 15 A K S < S- 0 0 57 -3,-1.9 2,-2.1 -4,-0.0 3,-0.3 -0.586 100.0 -85.4-108.7 173.6 18.9 12.8 21.1 16 16 A G > + 0 0 1 281,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.409 61.0 150.6 -80.3 67.7 17.0 13.9 24.2 17 17 A Y H > S+ 0 0 73 -2,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.842 72.6 53.3 -68.0 -32.7 20.0 15.4 26.1 18 18 A N H > S+ 0 0 105 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.945 110.8 47.3 -65.7 -45.1 17.8 17.9 27.9 19 19 A G H > S+ 0 0 0 1,-0.2 4,-0.8 274,-0.2 3,-0.3 0.870 110.5 52.8 -62.2 -36.4 15.5 15.1 29.0 20 20 A L H >X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 3,-0.8 0.874 101.1 59.5 -66.5 -37.8 18.5 13.1 30.1 21 21 A A H 3X S+ 0 0 44 -4,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.809 97.9 61.5 -60.7 -28.2 19.7 16.0 32.2 22 22 A E H 3X S+ 0 0 96 -4,-1.1 4,-1.4 -3,-0.3 -1,-0.3 0.861 104.8 46.9 -65.4 -35.3 16.4 15.7 34.1 23 23 A V H - 0 0 29 0, 0.0 3,-1.0 0, 0.0 -27,-0.3 -0.216 35.5 -93.3 -65.2 156.3 30.0 17.6 21.3 41 41 A D T 3 S+ 0 0 123 1,-0.3 5,-0.1 2,-0.1 4,-0.0 -0.400 107.8 6.0 -68.4 148.5 30.2 17.6 17.5 42 42 A K T >> S+ 0 0 138 1,-0.1 4,-2.0 3,-0.1 3,-1.5 0.826 80.1 163.1 45.8 41.6 31.5 14.4 15.9 43 43 A L H <> + 0 0 0 -3,-1.0 4,-2.7 1,-0.3 -1,-0.1 0.777 66.0 62.4 -60.8 -28.9 31.5 12.8 19.3 44 44 A E H 34 S+ 0 0 55 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.747 111.4 39.2 -69.5 -21.8 31.6 9.3 17.8 45 45 A E H <> S+ 0 0 108 -3,-1.5 4,-0.7 2,-0.1 -2,-0.2 0.779 115.7 52.0 -93.9 -33.5 35.0 10.2 16.3 46 46 A K H >X S+ 0 0 81 -4,-2.0 4,-2.5 1,-0.2 3,-0.7 0.907 99.8 63.4 -69.1 -44.1 36.2 12.2 19.4 47 47 A F H 3X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.3 5,-0.4 0.916 100.6 48.1 -50.6 -55.6 35.5 9.4 21.9 48 48 A P H 3> S+ 0 0 37 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.822 114.2 51.2 -59.0 -25.4 38.0 6.8 20.6 49 49 A Q H << S+ 0 0 119 -3,-0.7 4,-0.5 -4,-0.7 -2,-0.2 0.968 117.3 33.8 -74.1 -55.4 40.6 9.6 20.5 50 50 A V H ><>S+ 0 0 44 -4,-2.5 5,-2.4 1,-0.2 3,-1.1 0.865 115.7 56.4 -70.4 -35.5 40.2 10.9 24.1 51 51 A A H ><5S+ 0 0 7 -4,-3.1 3,-1.4 -5,-0.3 -1,-0.2 0.818 98.4 64.4 -65.9 -27.4 39.4 7.6 25.6 52 52 A A T 3<5S+ 0 0 75 -4,-0.7 -1,-0.3 -5,-0.4 -2,-0.2 0.748 102.6 47.4 -67.5 -23.1 42.7 6.3 24.2 53 53 A T T < 5S- 0 0 100 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.266 127.2 -97.5-100.6 10.8 44.6 8.7 26.4 54 54 A G T < 5S+ 0 0 22 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.675 94.0 100.9 82.6 17.7 42.6 7.7 29.5 55 55 A D < + 0 0 59 -5,-2.4 -1,-0.3 -54,-0.2 214,-0.2 -0.498 35.7 77.4-120.3-170.3 40.3 10.7 29.2 56 56 A G S S- 0 0 22 -2,-0.2 -48,-0.1 -3,-0.1 -9,-0.0 -0.551 81.5 -22.8 103.6-169.7 36.8 11.5 27.9 57 57 A P - 0 0 0 0, 0.0 -48,-0.2 0, 0.0 210,-0.2 -0.299 45.8-130.9 -76.1 162.3 33.3 11.0 29.4 58 58 A D S S+ 0 0 1 -50,-2.0 209,-2.6 1,-0.2 2,-0.4 0.842 97.6 29.5 -77.2 -35.7 32.4 8.4 32.0 59 59 A I E -bC 9 266A 0 -51,-2.0 -49,-2.5 207,-0.2 2,-0.4 -0.983 68.2-167.3-130.2 137.5 29.4 7.3 29.8 60 60 A I E -bC 10 265A 0 205,-2.4 205,-3.1 -2,-0.4 2,-0.4 -0.985 6.5-156.2-128.2 131.0 29.0 7.4 26.0 61 61 A F E + C 0 264A 6 -51,-2.3 -49,-0.3 -2,-0.4 2,-0.3 -0.904 34.0 125.8-105.9 131.6 25.7 6.9 24.1 62 62 A W E - C 0 263A 45 201,-2.1 201,-2.8 -2,-0.4 5,-0.1 -0.971 65.1 -61.7-171.6 165.7 25.7 5.6 20.5 63 63 A A E >> - C 0 262A 33 -2,-0.3 3,-1.2 199,-0.2 4,-0.5 -0.347 53.9-120.1 -57.0 138.0 24.3 3.0 18.2 64 64 A H T >4 S+ 0 0 0 197,-1.7 3,-1.0 1,-0.2 4,-0.5 0.758 104.8 66.1 -53.5 -34.6 25.5 -0.4 19.4 65 65 A D T >> S+ 0 0 58 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.854 96.4 55.7 -62.8 -31.5 27.4 -1.4 16.2 66 66 A R H <> S+ 0 0 94 -3,-1.2 4,-1.2 1,-0.2 3,-0.4 0.734 95.6 69.1 -71.8 -19.3 30.0 1.4 16.7 67 67 A F H S+ 0 0 1 -3,-1.1 4,-1.8 -4,-0.5 -1,-0.2 0.920 101.2 44.3 -64.1 -43.2 32.3 -3.1 18.6 69 69 A G H X S+ 0 0 32 -4,-0.5 4,-1.1 -3,-0.4 -1,-0.2 0.881 113.7 51.0 -68.3 -37.8 35.3 -1.1 17.4 70 70 A Y H <>S+ 0 0 6 -4,-1.2 5,-2.4 1,-0.2 3,-0.5 0.924 111.3 47.2 -64.3 -44.6 35.5 0.7 20.8 71 71 A A H ><5S+ 0 0 15 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.828 104.2 61.7 -66.1 -32.2 35.5 -2.6 22.6 72 72 A Q H 3<5S+ 0 0 115 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.846 107.3 45.0 -61.9 -33.7 38.1 -3.9 20.3 73 73 A S T 3<5S- 0 0 88 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.346 118.2-114.0 -91.5 4.2 40.4 -1.1 21.5 74 74 A G T < 5S+ 0 0 49 -3,-1.4 -3,-0.2 -4,-0.1 -2,-0.1 0.811 74.2 135.5 67.7 31.2 39.4 -1.8 25.1 75 75 A L < + 0 0 13 -5,-2.4 193,-2.7 -6,-0.1 2,-0.4 0.702 55.3 65.3 -82.9 -20.4 37.7 1.5 25.5 76 76 A L B S-E 267 0B 13 -6,-0.3 191,-0.2 191,-0.2 2,-0.2 -0.859 78.5-128.8-110.6 139.0 34.7 0.2 27.3 77 77 A A - 0 0 14 189,-3.1 189,-0.4 -2,-0.4 2,-0.4 -0.522 32.3-107.1 -79.1 147.7 34.5 -1.4 30.7 78 78 A E - 0 0 102 -2,-0.2 26,-0.2 187,-0.1 2,-0.1 -0.628 40.9-133.0 -73.5 127.4 32.7 -4.8 31.0 79 79 A I - 0 0 10 24,-2.3 24,-0.3 -2,-0.4 26,-0.1 -0.414 10.3-150.9 -82.5 162.2 29.4 -4.1 32.8 80 80 A T + 0 0 90 -2,-0.1 2,-0.1 24,-0.0 -1,-0.1 -0.270 25.6 162.2-130.3 51.4 28.1 -6.2 35.7 81 81 A P - 0 0 9 0, 0.0 22,-0.1 0, 0.0 -2,-0.0 -0.469 38.3-122.8 -69.9 139.6 24.3 -6.2 35.7 82 82 A D > - 0 0 95 -2,-0.1 4,-2.0 1,-0.1 3,-0.5 -0.264 28.9 -98.6 -75.7 171.1 22.9 -9.0 37.9 83 83 A K H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.854 122.0 61.1 -57.3 -37.8 20.5 -11.5 36.4 84 84 A A H 4 S+ 0 0 56 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.899 108.1 43.2 -57.3 -42.6 17.5 -9.7 37.9 85 85 A F H >4 S+ 0 0 12 -3,-0.5 3,-1.4 1,-0.2 4,-0.4 0.884 108.6 57.9 -72.5 -37.6 18.4 -6.6 35.8 86 86 A Q H >< S+ 0 0 40 -4,-2.0 3,-1.5 1,-0.3 -2,-0.2 0.887 100.4 57.8 -59.4 -37.1 19.1 -8.6 32.7 87 87 A D T 3< S+ 0 0 106 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.696 93.7 70.8 -65.6 -18.0 15.6 -10.0 32.9 88 88 A K T < S+ 0 0 110 -3,-1.4 217,-2.5 -4,-0.4 218,-0.4 0.685 96.3 56.7 -72.4 -20.0 14.3 -6.4 32.7 89 89 A L B < S-F 304 0C 2 -3,-1.5 215,-0.2 -4,-0.4 214,-0.1 -0.813 98.4 -92.2-115.3 155.4 15.4 -6.0 29.0 90 90 A Y >> - 0 0 32 213,-1.7 3,-1.4 -2,-0.3 4,-0.7 -0.413 38.6-127.5 -61.2 133.5 14.5 -7.9 25.9 91 91 A P H >> S+ 0 0 89 0, 0.0 3,-1.0 0, 0.0 4,-0.9 0.843 104.3 61.7 -54.2 -38.1 17.1 -10.7 25.4 92 92 A F H 3> S+ 0 0 33 1,-0.3 4,-0.7 2,-0.2 3,-0.2 0.778 96.7 60.7 -62.9 -24.0 18.0 -9.7 21.8 93 93 A T H <4 S+ 0 0 0 -3,-1.4 4,-0.5 1,-0.2 3,-0.4 0.804 97.7 57.7 -72.8 -27.7 19.1 -6.3 23.0 94 94 A W H X< S+ 0 0 13 -3,-1.0 3,-0.8 -4,-0.7 -1,-0.2 0.802 99.5 59.5 -71.3 -26.8 21.8 -7.9 25.2 95 95 A D H >< S+ 0 0 50 -4,-0.9 3,-1.0 1,-0.2 -1,-0.2 0.794 97.5 60.9 -69.7 -26.9 23.3 -9.5 22.1 96 96 A A T 3< S+ 0 0 1 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.689 107.6 43.7 -73.3 -19.0 23.8 -6.1 20.6 97 97 A V T < S+ 0 0 0 -3,-0.8 7,-3.1 -4,-0.5 2,-0.5 0.072 89.0 104.6-115.0 23.1 26.1 -5.1 23.5 98 98 A R E < +G 103 0D 49 -3,-1.0 2,-0.4 5,-0.2 5,-0.2 -0.906 40.3 174.4-108.2 131.3 28.2 -8.2 23.7 99 99 A Y E > S-G 102 0D 19 3,-2.8 3,-1.7 -2,-0.5 76,-0.1 -0.989 70.8 -8.1-138.0 126.5 31.8 -8.3 22.4 100 100 A N T 3 S- 0 0 108 -2,-0.4 -1,-0.1 1,-0.3 75,-0.1 0.876 131.1 -54.3 55.7 39.4 34.2 -11.2 22.8 101 101 A G T 3 S+ 0 0 56 73,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.487 117.8 108.7 76.3 3.8 31.8 -12.9 25.1 102 102 A K E < S-G 99 0D 103 -3,-1.7 -3,-2.8 2,-0.0 2,-0.5 -0.908 71.2-122.1-119.2 143.0 31.5 -9.8 27.4 103 103 A L E +G 98 0D 25 -2,-0.4 -24,-2.3 -24,-0.3 -5,-0.2 -0.681 34.0 171.0 -78.1 121.1 28.7 -7.3 28.0 104 104 A I + 0 0 11 -7,-3.1 162,-0.4 -2,-0.5 2,-0.3 0.232 55.1 17.5-119.8 16.1 30.2 -3.9 27.3 105 105 A A S S- 0 0 0 -8,-0.4 160,-0.2 160,-0.2 -1,-0.2 -0.959 71.3-106.5-175.4 159.3 27.2 -1.5 27.3 106 106 A Y E -D 264 0A 1 158,-2.4 158,-2.3 -2,-0.3 2,-0.1 -0.869 35.6-126.9-100.0 124.8 23.6 -1.1 28.5 107 107 A P E +D 263 0A 0 0, 0.0 156,-0.2 0, 0.0 3,-0.1 -0.451 34.7 167.4 -68.2 139.8 20.9 -1.3 25.8 108 108 A I + 0 0 4 154,-3.0 195,-2.1 1,-0.4 196,-0.5 0.722 54.1 12.9-118.6 -58.2 18.6 1.8 25.8 109 109 A A E -H 302 0E 6 153,-1.2 -1,-0.4 193,-0.3 153,-0.4 -0.780 57.5-142.0-123.9 168.2 16.5 2.0 22.7 110 110 A V E +H 301 0E 0 191,-3.1 191,-1.5 -2,-0.3 2,-0.4 -0.996 17.6 178.5-133.0 131.1 15.5 -0.2 19.7 111 111 A E B +I 260 0F 66 149,-1.9 149,-2.5 -2,-0.4 2,-0.3 -0.998 10.4 148.9-137.3 139.7 15.0 0.9 16.1 112 112 A A - 0 0 0 -2,-0.4 212,-0.1 147,-0.2 147,-0.1 -0.966 47.1 -86.2-157.7 161.3 14.1 -1.1 13.0 113 113 A L - 0 0 0 145,-0.4 2,-0.3 -2,-0.3 134,-0.2 -0.393 42.3-176.1 -73.7 152.0 12.2 -0.5 9.7 114 114 A S E -J 227 0G 1 113,-1.9 113,-1.3 132,-0.1 2,-0.6 -0.896 35.2 -93.4-140.3 167.9 8.4 -0.9 9.5 115 115 A L E -JK 226 245G 1 130,-2.2 130,-2.6 -2,-0.3 2,-0.5 -0.778 38.3-161.1 -87.9 121.6 5.8 -0.7 6.7 116 116 A I E -JK 225 244G 1 109,-3.3 109,-2.6 -2,-0.6 2,-0.3 -0.919 15.8-179.6-106.0 124.7 4.4 2.8 6.6 117 117 A Y E -JK 224 243G 34 126,-1.9 126,-2.2 -2,-0.5 2,-0.7 -0.871 32.7-118.5-127.8 160.0 1.0 3.1 4.8 118 118 A N E > - K 0 242G 7 105,-2.8 4,-3.6 -2,-0.3 3,-0.4 -0.845 19.3-158.6 -96.1 110.9 -1.6 5.6 3.9 119 119 A K T 4 S+ 0 0 81 122,-2.1 -1,-0.1 -2,-0.7 123,-0.1 0.773 91.2 53.2 -60.5 -29.1 -4.9 4.7 5.5 120 120 A D T 4 S+ 0 0 123 121,-0.6 -1,-0.2 2,-0.2 122,-0.1 0.834 120.1 32.1 -77.0 -31.7 -6.9 6.8 3.0 121 121 A L T 4 S+ 0 0 46 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.787 140.8 14.4 -92.1 -32.4 -5.4 5.0 0.0 122 122 A L < + 0 0 15 -4,-3.6 -1,-0.2 101,-0.2 -2,-0.2 -0.591 60.3 167.8-145.8 77.5 -4.8 1.6 1.7 123 123 A P S S+ 0 0 78 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.753 83.9 46.0 -63.1 -22.7 -6.7 1.1 5.0 124 124 A N S S- 0 0 136 -3,-0.1 3,-0.1 -5,-0.1 -5,-0.0 -0.714 86.9-159.2-122.9 79.4 -5.9 -2.6 4.8 125 125 A P - 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0 0 1 -3,-2.2 3,-0.6 -212,-0.2 -268,-0.1 -0.549 51.2-161.4 -76.5 133.6 36.6 5.9 34.4 271 271 A P T 3 S+ 0 0 55 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.304 89.1 66.1 -92.5 9.9 37.2 5.9 38.1 272 272 A N T 3> + 0 0 1 -5,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.100 56.4 129.3-120.2 32.6 33.4 6.2 38.5 273 273 A K H <> S+ 0 0 78 -3,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.851 75.8 49.2 -57.8 -38.2 32.3 2.9 37.0 274 274 A E H > S+ 0 0 145 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.899 110.6 49.1 -69.6 -42.1 30.1 2.1 40.0 275 275 A L H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.896 111.1 52.2 -62.3 -39.7 28.4 5.5 40.0 276 276 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.939 109.0 49.3 -61.0 -48.3 27.8 4.9 36.2 277 277 A K H X S+ 0 0 67 -4,-2.2 4,-2.8 1,-0.2 5,-0.4 0.926 111.1 49.5 -56.6 -48.4 26.2 1.5 36.9 278 278 A E H X S+ 0 0 75 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.920 114.3 45.5 -58.1 -46.6 23.9 3.0 39.6 279 279 A F H X>S+ 0 0 0 -4,-2.5 5,-2.7 3,-0.2 4,-1.5 0.958 117.5 41.5 -62.4 -54.1 22.8 5.8 37.3 280 280 A L H <>S+ 0 0 0 -4,-3.0 5,-2.6 3,-0.2 -2,-0.2 0.922 123.0 37.4 -62.9 -46.0 22.2 3.7 34.2 281 281 A E H <5S+ 0 0 12 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.935 129.5 25.5 -74.3 -48.2 20.5 0.8 35.9 282 282 A N H <5S+ 0 0 84 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.438 132.7 28.3-102.5 1.3 18.5 2.4 38.6 283 283 A Y T <5S+ 0 0 31 -4,-1.5 3,-0.4 -5,-0.3 -3,-0.2 0.657 127.3 29.2-122.6 -53.6 17.9 5.9 37.2 284 284 A L T S- 0 0 41 -2,-2.0 4,-2.7 -3,-0.4 5,-0.4 -0.911 92.4-101.6-142.8 163.3 13.4 2.7 34.7 287 287 A D H > S+ 0 0 58 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.923 124.0 47.4 -56.5 -45.1 9.9 3.8 33.5 288 288 A E H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.867 113.8 48.2 -64.3 -38.2 10.5 7.3 35.1 289 289 A G H > S+ 0 0 1 2,-0.2 4,-1.6 -6,-0.2 -2,-0.2 0.969 114.6 41.5 -68.3 -54.4 14.0 7.6 33.5 290 290 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 -6,-0.5 5,-0.2 0.825 111.2 58.8 -64.2 -30.4 13.1 6.6 30.0 291 291 A E H X S+ 0 0 90 -4,-1.9 4,-2.5 -5,-0.4 -1,-0.2 0.918 103.0 53.4 -64.4 -41.1 9.9 8.7 30.2 292 292 A A H X S+ 0 0 11 -4,-1.5 4,-0.7 -3,-0.2 -2,-0.2 0.914 116.2 37.3 -59.0 -47.1 12.0 11.7 30.9 293 293 A V H >X S+ 0 0 7 -4,-1.6 4,-2.2 2,-0.2 3,-1.1 0.961 117.2 50.3 -70.3 -52.2 14.2 11.2 27.8 294 294 A N H 3< S+ 0 0 27 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.831 105.4 57.2 -54.6 -39.5 11.5 10.0 25.5 295 295 A K H 3< S+ 0 0 143 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.791 110.0 46.3 -64.2 -28.9 9.2 12.9 26.4 296 296 A D H << S- 0 0 65 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.976 138.0 -6.9 -75.7 -63.1 12.0 15.2 25.2 297 297 A K S < S- 0 0 85 -4,-2.2 -281,-0.3 -281,-0.1 -1,-0.3 -0.987 88.0-101.3-138.8 125.2 12.8 13.4 22.0 298 298 A P - 0 0 111 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.139 22.9-166.8 -47.9 126.2 11.2 10.0 21.0 299 299 A L - 0 0 25 1,-0.4 2,-0.5 -9,-0.1 -189,-0.2 0.607 30.8-142.8 -87.9 -14.6 13.5 7.0 21.5 300 300 A G + 0 0 3 -191,-0.1 -1,-0.4 -6,-0.1 2,-0.2 -0.788 66.4 1.8 87.3-126.8 11.1 4.9 19.4 301 301 A A E S-H 110 0E 0 -191,-1.5 -191,-3.1 -2,-0.5 2,-0.3 -0.604 80.2-142.8 -90.1 156.7 10.9 1.5 21.0 302 302 A V E -H 109 0E 0 -193,-0.3 -193,-0.3 -2,-0.2 -194,-0.1 -0.853 18.0-131.2-123.8 159.7 12.9 0.8 24.1 303 303 A A S S+ 0 0 0 -195,-2.1 -213,-1.7 -2,-0.3 2,-0.6 0.731 83.3 92.5 -76.3 -25.1 14.9 -2.1 25.6 304 304 A L B > -F 89 0C 5 -196,-0.5 4,-2.5 -215,-0.2 5,-0.2 -0.634 68.4-150.4 -76.9 115.8 13.2 -2.0 29.0 305 305 A K H > S+ 0 0 69 -217,-2.5 4,-2.3 -2,-0.6 5,-0.2 0.900 90.4 52.7 -51.5 -51.5 10.3 -4.4 29.0 306 306 A S H > S+ 0 0 45 -218,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.915 115.2 38.7 -55.7 -49.0 8.1 -2.4 31.5 307 307 A Y H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 3,-0.5 0.879 112.6 56.3 -72.6 -35.6 8.3 0.9 29.7 308 308 A E H X S+ 0 0 5 -4,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.901 102.7 56.5 -60.9 -39.8 8.1 -0.6 26.2 309 309 A E H < S+ 0 0 131 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.815 111.0 44.9 -61.9 -28.8 4.8 -2.3 27.2 310 310 A E H >< S+ 0 0 93 -4,-0.8 3,-1.4 -3,-0.5 -2,-0.2 0.914 114.3 46.7 -79.5 -45.6 3.6 1.2 28.1 311 311 A L H >< S+ 0 0 20 -4,-2.8 3,-2.6 1,-0.3 6,-0.3 0.817 94.9 77.3 -64.8 -31.2 4.9 2.8 24.9 312 312 A A T 3< + 0 0 34 -4,-2.9 -1,-0.3 1,-0.3 6,-0.2 0.561 69.7 84.9 -57.6 -8.8 3.4 -0.0 22.8 313 313 A K T < S+ 0 0 188 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.1 0.688 78.2 76.3 -66.2 -16.6 0.0 1.6 23.2 314 314 A D S X> S- 0 0 45 -3,-2.6 4,-2.2 1,-0.1 3,-1.0 -0.874 82.8-149.1 -93.9 112.0 1.2 3.6 20.2 315 315 A P H 3> S+ 0 0 87 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.766 94.3 60.9 -54.8 -26.0 0.8 1.2 17.3 316 316 A R H 3> S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -4,-0.1 0.893 108.9 41.4 -69.4 -38.7 3.8 2.7 15.5 317 317 A I H <> S+ 0 0 13 -3,-1.0 4,-2.2 -6,-0.3 -1,-0.2 0.865 113.1 53.7 -75.7 -36.8 6.1 1.8 18.4 318 318 A A H X S+ 0 0 34 -4,-2.2 4,-2.3 -7,-0.2 -2,-0.2 0.910 110.8 46.7 -62.9 -42.0 4.5 -1.6 18.8 319 319 A A H X S+ 0 0 5 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.882 107.4 58.0 -67.0 -38.2 5.1 -2.3 15.1 320 320 A T H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.929 111.8 40.7 -56.8 -46.6 8.7 -1.0 15.4 321 321 A M H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.862 110.9 56.8 -70.9 -37.7 9.4 -3.7 18.1 322 322 A E H X S+ 0 0 82 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.934 111.6 43.1 -60.1 -45.3 7.4 -6.4 16.3 323 323 A N H X S+ 0 0 1 -4,-2.5 4,-0.6 1,-0.2 3,-0.3 0.883 112.0 54.8 -68.0 -37.7 9.6 -5.9 13.2 324 324 A A H >< S+ 0 0 2 -4,-1.8 3,-0.7 -5,-0.3 -2,-0.2 0.904 106.4 49.6 -62.9 -43.5 12.8 -5.7 15.4 325 325 A Q H 3< S+ 0 0 108 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.733 112.7 48.0 -69.4 -21.1 12.2 -9.0 17.1 326 326 A K H 3< S+ 0 0 88 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.531 112.5 67.1 -91.2 -9.7 11.6 -10.6 13.7 327 327 A G S << S- 0 0 13 -3,-0.7 2,-0.4 -4,-0.6 -69,-0.2 0.043 86.3-101.3 -93.7-156.8 14.8 -9.0 12.5 328 328 A E E -q 258 0L 99 -71,-2.0 -69,-2.3 -72,-0.1 -2,-0.1 -0.997 26.8-114.4-137.4 133.1 18.5 -9.2 13.3 329 329 A I E -q 259 0L 7 -2,-0.4 -69,-0.2 -71,-0.2 -71,-0.0 -0.371 45.9-103.1 -60.0 139.8 20.8 -7.1 15.5 330 330 A M - 0 0 19 -71,-2.3 -1,-0.1 1,-0.1 -69,-0.1 -0.519 42.7-110.4 -66.5 128.1 23.3 -5.4 13.2 331 331 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -235,-0.1 -0.366 19.2-147.0 -62.0 137.1 26.6 -7.3 13.7 332 332 A N + 0 0 6 -234,-0.2 -2,-0.1 -264,-0.1 -236,-0.0 -0.010 60.0 111.1 -95.2 30.3 29.2 -5.2 15.6 333 333 A I S > S- 0 0 17 1,-0.1 3,-1.5 -265,-0.1 4,-0.4 -0.675 78.6-114.2-103.1 159.1 32.3 -6.7 13.8 334 334 A P T >> S+ 0 0 67 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.849 112.2 64.5 -57.2 -35.8 34.6 -5.0 11.3 335 335 A Q H 3> S+ 0 0 61 1,-0.3 4,-2.0 2,-0.2 3,-0.1 0.706 82.0 77.2 -62.5 -21.7 33.5 -7.2 8.5 336 336 A M H <> S+ 0 0 7 -3,-1.5 4,-2.2 1,-0.2 -1,-0.3 0.810 90.1 57.7 -60.5 -26.9 30.0 -5.8 8.7 337 337 A S H <> S+ 0 0 62 -3,-1.6 4,-2.2 -4,-0.4 -1,-0.2 0.936 104.1 49.5 -67.0 -46.6 31.4 -2.8 6.8 338 338 A A H X S+ 0 0 38 -4,-0.6 4,-2.3 1,-0.2 5,-0.2 0.876 109.5 54.8 -59.0 -36.9 32.5 -5.0 4.0 339 339 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.950 107.2 48.4 -60.7 -52.5 29.0 -6.5 4.0 340 340 A W H X S+ 0 0 42 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.938 115.2 43.0 -54.3 -54.2 27.3 -3.1 3.6 341 341 A Y H X S+ 0 0 133 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.905 116.4 46.7 -61.4 -45.0 29.5 -1.9 0.7 342 342 A A H X S+ 0 0 3 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.926 117.0 42.8 -64.6 -46.7 29.4 -5.2 -1.2 343 343 A V H X S+ 0 0 2 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.855 108.9 58.7 -69.5 -34.6 25.7 -5.7 -0.8 344 344 A R H X S+ 0 0 64 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.944 110.7 43.7 -58.8 -43.8 25.1 -2.0 -1.6 345 345 A T H X S+ 0 0 63 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.867 111.9 53.3 -68.3 -38.0 26.8 -2.6 -4.9 346 346 A A H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.944 111.0 44.2 -63.8 -49.4 25.1 -5.9 -5.6 347 347 A V H X S+ 0 0 6 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.916 114.4 49.7 -63.3 -44.0 21.5 -4.5 -5.2 348 348 A I H X S+ 0 0 52 -4,-1.9 4,-1.8 -5,-0.3 6,-0.3 0.949 114.8 44.2 -59.4 -49.9 22.3 -1.4 -7.2 349 349 A N H X>S+ 0 0 24 -4,-2.4 6,-1.9 1,-0.2 4,-1.1 0.879 113.4 49.8 -63.8 -40.7 23.8 -3.5 -10.1 350 350 A A H <5S+ 0 0 5 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.876 112.1 49.3 -66.5 -36.5 21.0 -6.1 -10.0 351 351 A A H <5S+ 0 0 17 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.816 112.8 45.5 -72.8 -32.7 18.4 -3.4 -10.1 352 352 A S H <5S- 0 0 77 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.623 112.3-114.4 -86.1 -14.5 19.9 -1.5 -13.1 353 353 A G T <5S+ 0 0 62 -4,-1.1 -3,-0.2 2,-0.3 -4,-0.1 0.417 84.5 122.9 93.7 -0.7 20.5 -4.7 -15.1 354 354 A R S - 0 0 81 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.477 38.0-108.0 -81.3 162.4 22.2 -10.5 -13.0 357 357 A V H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.917 118.5 52.1 -57.0 -45.2 21.0 -11.5 -9.6 358 358 A D H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 114.0 40.2 -58.7 -48.2 23.2 -14.6 -9.5 359 359 A E H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.861 112.7 56.0 -72.2 -35.9 26.4 -12.7 -10.4 360 360 A A H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.944 113.9 39.4 -60.0 -50.1 25.7 -9.7 -8.2 361 361 A L H X S+ 0 0 4 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.885 113.8 53.9 -68.3 -41.1 25.2 -11.9 -5.1 362 362 A K H X S+ 0 0 115 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.919 110.9 47.1 -60.4 -43.4 28.1 -14.2 -6.0 363 363 A D H X S+ 0 0 85 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.898 112.8 48.4 -65.6 -41.4 30.4 -11.2 -6.3 364 364 A A H X S+ 0 0 5 -4,-1.9 4,-2.5 -5,-0.2 3,-0.3 0.950 112.8 48.6 -62.9 -49.2 29.2 -9.7 -3.0 365 365 A Q H X S+ 0 0 31 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.923 108.8 53.4 -54.4 -50.5 29.7 -13.0 -1.2 366 366 A T H < S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.804 113.1 42.7 -59.0 -33.2 33.2 -13.5 -2.6 367 367 A R H >< S+ 0 0 129 -4,-1.5 3,-1.1 -3,-0.3 -1,-0.2 0.874 111.5 53.6 -82.4 -37.7 34.3 -10.1 -1.4 368 368 A I H 3< S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.807 108.5 49.8 -67.0 -30.5 32.7 -10.3 2.1 369 369 A T T 3< 0 0 57 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.425 360.0 360.0 -89.7 3.5 34.3 -13.6 2.9 370 370 A K < 0 0 198 -3,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.878 360.0 360.0 -65.0 360.0 37.8 -12.4 1.9