==== 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 1FQD . 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) . 15468.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 69.2 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 . 39 10.5 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 . 22 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 31.6 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 0 1 4 1 1 2 1 1 1 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 . 3 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 A 0 0 82 0, 0.0 271,-0.1 0, 0.0 268,-0.1 0.000 360.0 360.0 360.0 -70.5 -14.7 25.1 51.4 2 2 A I + 0 0 61 268,-0.1 267,-0.0 1,-0.1 51,-0.0 0.998 360.0 65.1 61.4 73.5 -15.2 26.1 47.7 3 3 A E - 0 0 23 267,-0.1 2,-1.0 268,-0.1 -1,-0.1 -0.001 61.0-169.8-174.4 -63.3 -16.5 22.8 46.2 4 4 A E S S- 0 0 89 1,-0.1 266,-0.0 2,-0.0 -2,-0.0 -0.726 70.9 -10.9 91.3 -90.6 -20.0 21.8 47.5 5 5 A G S S+ 0 0 43 -2,-1.0 29,-0.3 267,-0.0 2,-0.3 -0.432 107.7 78.2-147.7 68.4 -20.8 18.2 46.2 6 6 A K - 0 0 62 27,-0.1 2,-0.6 2,-0.0 266,-0.2 -0.958 68.7-116.9-162.6 162.2 -18.4 17.0 43.6 7 7 A L E -a 35 0A 0 27,-1.1 29,-2.6 -2,-0.3 2,-0.4 -0.928 25.3-170.4-116.4 112.8 -14.9 15.6 43.5 8 8 A V E -a 36 0A 17 -2,-0.6 51,-1.8 27,-0.2 50,-0.7 -0.798 5.9-166.3-100.4 143.6 -12.2 17.5 41.7 9 9 A I E -ab 37 59A 0 27,-2.4 29,-3.3 -2,-0.4 2,-0.4 -0.975 9.9-157.9-131.5 144.9 -8.7 15.9 41.0 10 10 A W E +ab 38 60A 31 49,-0.9 51,-2.8 -2,-0.4 2,-0.3 -0.989 21.8 161.4-124.5 120.2 -5.4 17.4 39.9 11 11 A I - 0 0 4 27,-2.2 2,-0.2 -2,-0.4 51,-0.1 -0.956 40.6 -96.3-137.2 155.4 -2.8 15.2 38.3 12 12 A N > - 0 0 51 -2,-0.3 3,-2.1 1,-0.1 5,-0.3 -0.500 31.5-117.4 -79.0 142.8 0.3 16.0 36.2 13 13 A G T 3 S+ 0 0 33 27,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.647 109.2 58.3 -48.4 -28.5 0.2 15.8 32.4 14 14 A D T 3 S+ 0 0 51 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.291 96.5 81.6 -91.2 15.6 2.7 13.0 31.9 15 15 A K S < S- 0 0 10 -3,-2.1 2,-2.1 216,-0.0 3,-0.3 -0.645 99.7 -92.2-110.2 167.6 0.6 10.7 34.0 16 16 A G >> + 0 0 1 281,-0.4 4,-1.7 -2,-0.2 3,-0.6 -0.357 59.0 153.3 -81.4 63.2 -2.5 8.7 33.0 17 17 A Y H 3> + 0 0 60 -2,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.770 69.8 60.5 -61.3 -25.6 -5.1 11.3 34.0 18 18 A N H 3> S+ 0 0 97 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.897 105.1 47.2 -69.5 -38.4 -7.4 9.8 31.4 19 19 A G H <> S+ 0 0 0 -3,-0.6 4,-1.1 274,-0.2 3,-0.3 0.850 109.8 52.9 -69.6 -34.6 -7.4 6.4 33.2 20 20 A L H X S+ 0 0 2 -4,-1.7 4,-1.9 1,-0.2 3,-0.3 0.869 101.8 61.4 -66.8 -35.7 -8.0 8.2 36.5 21 21 A A H X S+ 0 0 27 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.840 99.3 56.4 -58.4 -34.4 -10.9 9.9 34.8 22 22 A E H X S+ 0 0 80 -4,-1.0 4,-2.5 -3,-0.3 -1,-0.2 0.882 102.0 53.2 -66.3 -40.9 -12.4 6.4 34.3 23 23 A V H X S+ 0 0 6 -4,-1.1 4,-3.0 -3,-0.3 -1,-0.2 0.915 110.5 49.5 -60.8 -39.6 -12.3 5.6 38.0 24 24 A G H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.973 107.6 53.6 -60.9 -50.7 -14.2 8.8 38.5 25 25 A K H X S+ 0 0 136 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.855 111.6 45.0 -50.1 -42.8 -16.7 7.7 35.8 26 26 A K H < S+ 0 0 95 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.913 110.1 54.2 -68.9 -42.9 -17.2 4.5 37.7 27 27 A F H >X S+ 0 0 6 -4,-3.0 3,-1.0 -5,-0.2 4,-0.8 0.921 108.6 53.6 -54.1 -40.9 -17.5 6.5 40.9 28 28 A E H 3X S+ 0 0 78 -4,-2.9 4,-2.3 1,-0.3 3,-0.5 0.885 105.6 46.6 -62.0 -49.5 -20.2 8.5 39.0 29 29 A K H 3< S+ 0 0 176 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.123 123.8 41.0 -82.5 25.5 -22.5 5.7 38.0 30 30 A D H <4 S+ 0 0 96 -3,-1.0 -2,-0.3 3,-0.1 -1,-0.2 0.367 131.2 19.1-143.9 -12.6 -22.0 4.6 41.6 31 31 A T H < S- 0 0 53 -4,-0.8 -3,-0.2 -3,-0.5 -2,-0.2 0.492 84.1-131.9-137.3 -20.6 -22.2 7.9 43.5 32 32 A G < + 0 0 68 -4,-2.3 2,-0.6 -5,-0.4 -4,-0.2 0.478 69.3 124.4 76.1 -1.1 -23.9 10.4 41.2 33 33 A I - 0 0 32 -6,-0.3 2,-0.7 -9,-0.1 -1,-0.3 -0.845 65.9-124.5 -97.7 121.4 -21.1 12.8 42.1 34 34 A K - 0 0 116 -2,-0.6 -27,-1.1 -29,-0.3 2,-0.7 -0.511 18.3-153.2 -70.1 109.3 -19.1 14.1 39.1 35 35 A V E -a 7 0A 11 -2,-0.7 2,-0.5 -11,-0.2 -27,-0.2 -0.749 12.5-163.7 -83.6 115.7 -15.5 13.4 39.4 36 36 A T E -a 8 0A 52 -29,-2.6 -27,-2.4 -2,-0.7 2,-0.5 -0.904 0.8-161.8-104.4 130.3 -13.7 16.1 37.4 37 37 A V E +a 9 0A 30 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.959 12.1 176.4-118.0 120.2 -10.0 15.4 36.6 38 38 A E E -a 10 0A 83 -29,-3.3 -27,-2.2 -2,-0.5 -2,-0.0 -0.915 23.0-163.0-123.3 148.8 -7.7 18.2 35.6 39 39 A H - 0 0 77 -2,-0.3 -26,-0.2 -29,-0.2 -29,-0.1 -0.619 25.6-175.1-125.8 69.0 -4.0 18.4 34.8 40 40 A P > - 0 0 43 0, 0.0 3,-0.8 0, 0.0 -27,-0.3 -0.152 34.5 -91.7 -63.5 162.3 -3.1 22.1 35.0 41 41 A D T 3 S+ 0 0 141 1,-0.3 5,-0.2 2,-0.1 4,-0.0 -0.471 107.9 0.9 -71.2 146.4 0.3 23.5 34.1 42 42 A K T 3> S+ 0 0 120 1,-0.1 4,-1.5 -2,-0.1 3,-0.4 0.884 78.4 168.2 37.7 57.0 2.7 23.7 37.1 43 43 A L H <> S+ 0 0 0 -3,-0.8 4,-1.5 1,-0.2 -1,-0.1 0.749 71.2 59.2 -69.3 -23.7 -0.0 22.2 39.4 44 44 A E H 4 S+ 0 0 32 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.792 109.6 42.5 -75.1 -28.6 2.6 21.8 42.1 45 45 A E H 4 S+ 0 0 51 -3,-0.4 4,-0.5 2,-0.1 -2,-0.2 0.743 116.6 47.0 -87.7 -26.7 3.3 25.5 42.1 46 46 A K H X S+ 0 0 77 -4,-1.5 4,-2.5 -5,-0.2 5,-0.3 0.711 97.7 70.7 -88.1 -23.0 -0.4 26.6 41.9 47 47 A F H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 5,-0.3 0.962 100.3 43.0 -61.0 -55.7 -1.8 24.3 44.6 48 48 A P H > S+ 0 0 33 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.874 114.2 58.5 -58.6 -31.1 -0.3 26.0 47.6 49 49 A Q H >> S+ 0 0 106 -4,-0.5 4,-0.6 2,-0.2 3,-0.6 0.992 120.3 20.3 -58.0 -70.7 -1.3 29.2 45.9 50 50 A V H ><>S+ 0 0 45 -4,-2.5 3,-1.5 1,-0.2 5,-0.6 0.935 116.0 65.3 -67.9 -49.8 -5.1 28.6 45.6 51 51 A A H ><5S+ 0 0 5 -4,-2.5 3,-0.6 -5,-0.3 -1,-0.2 0.667 93.1 67.6 -49.3 -16.3 -5.4 25.9 48.3 52 52 A A H <<5S+ 0 0 70 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.971 98.5 48.3 -66.6 -52.4 -4.4 28.8 50.6 53 53 A T T <<5S- 0 0 105 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.406 128.4-103.3 -66.6 2.3 -7.7 30.5 49.8 54 54 A G T < 5S+ 0 0 10 -3,-0.6 -3,-0.2 -4,-0.4 -2,-0.1 0.959 92.9 98.1 70.7 49.3 -9.3 27.2 50.6 55 55 A D < + 0 0 60 -5,-0.6 214,-0.2 -8,-0.2 -4,-0.1 -0.157 34.0 88.2-132.4-132.6 -9.8 26.4 46.9 56 56 A G S S- 0 0 28 -2,-0.1 2,-0.1 -6,-0.1 -48,-0.1 -0.127 90.3 -22.1 61.0-157.4 -8.0 24.3 44.3 57 57 A P - 0 0 1 0, 0.0 210,-0.2 0, 0.0 -48,-0.2 -0.439 50.0-131.3 -82.7 160.4 -8.7 20.6 43.8 58 58 A D S S+ 0 0 7 -50,-0.7 209,-3.5 1,-0.2 2,-0.3 0.901 100.1 28.3 -73.2 -37.7 -10.3 18.5 46.5 59 59 A I E -bC 9 266A 0 -51,-1.8 -49,-0.9 207,-0.3 2,-0.4 -0.896 69.6-164.8-122.8 149.7 -7.4 16.1 45.8 60 60 A I E -bC 10 265A 0 205,-2.9 205,-2.6 -2,-0.3 2,-0.4 -0.989 4.2-160.4-137.5 124.1 -3.8 16.6 44.5 61 61 A F E + C 0 264A 2 -51,-2.8 2,-0.3 -2,-0.4 203,-0.2 -0.847 32.9 127.3-103.3 144.7 -1.5 13.9 43.1 62 62 A W E - C 0 263A 50 201,-1.9 201,-2.6 -2,-0.4 2,-0.1 -0.889 65.2 -68.2 178.3 161.0 2.2 14.5 43.0 63 63 A A E > - C 0 262A 19 -2,-0.3 3,-1.7 199,-0.3 4,-0.3 -0.395 52.7-111.8 -65.0 140.3 5.4 12.8 44.1 64 64 A H G > S+ 0 0 2 197,-2.6 3,-1.6 1,-0.3 4,-0.5 0.662 102.0 85.4 -47.1 -25.0 5.7 12.8 47.9 65 65 A D G 3 S+ 0 0 13 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.778 92.7 45.5 -53.8 -28.1 8.7 15.2 47.9 66 66 A R G <> S+ 0 0 45 -3,-1.7 4,-1.9 1,-0.2 3,-0.3 0.627 93.0 82.1 -91.2 -12.0 6.4 18.2 47.8 67 67 A F H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.3 -1,-0.2 0.690 82.9 57.7 -69.6 -19.8 4.0 17.0 50.5 68 68 A G H > S+ 0 0 0 264,-1.0 4,-2.0 -4,-0.5 -1,-0.2 0.863 108.3 49.4 -75.1 -34.9 6.0 18.0 53.6 69 69 A G H > S+ 0 0 16 263,-0.6 4,-1.7 -3,-0.3 -2,-0.2 0.965 110.8 49.1 -65.4 -50.5 5.9 21.6 52.3 70 70 A Y H <>S+ 0 0 4 -4,-1.9 5,-2.1 1,-0.2 6,-0.3 0.933 110.5 49.8 -53.2 -53.5 2.2 21.4 51.7 71 71 A A H ><5S+ 0 0 16 -4,-2.2 3,-1.6 3,-0.2 -1,-0.2 0.882 105.5 61.6 -53.6 -41.3 1.5 20.0 55.2 72 72 A Q H 3<5S+ 0 0 119 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.960 103.9 43.7 -50.1 -64.9 3.7 22.8 56.6 73 73 A S T 3<5S- 0 0 87 -4,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.396 120.8-112.3 -66.7 9.0 1.6 25.8 55.4 74 74 A G T < 5S+ 0 0 49 -3,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.794 77.4 133.0 65.1 33.3 -1.3 23.7 56.6 75 75 A L < + 0 0 10 -5,-2.1 193,-1.7 -6,-0.2 2,-0.4 0.385 56.0 69.0 -92.8 1.4 -2.8 23.0 53.1 76 76 A L B -F 267 0B 18 -6,-0.3 2,-0.2 191,-0.2 191,-0.2 -0.960 67.6-140.6-128.8 145.7 -3.3 19.2 53.7 77 77 A A - 0 0 18 189,-1.8 2,-0.5 -2,-0.4 189,-0.4 -0.644 33.0 -98.2 -99.1 154.2 -5.6 17.1 55.9 78 78 A E - 0 0 118 -2,-0.2 26,-0.2 187,-0.1 2,-0.2 -0.578 34.9-137.5 -74.0 121.8 -4.7 13.9 57.7 79 79 A I - 0 0 13 24,-1.0 24,-0.3 -2,-0.5 26,-0.1 -0.564 11.9-140.6 -76.2 143.5 -5.8 10.8 55.8 80 80 A T + 0 0 83 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.0 -0.288 33.4 160.2-107.6 53.3 -7.3 8.2 58.0 81 81 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 22,-0.1 -0.409 30.7-139.1 -69.2 148.4 -6.2 4.7 57.0 82 82 A D > - 0 0 82 1,-0.1 4,-1.6 -2,-0.0 3,-0.4 -0.750 31.8 -97.8-106.6 156.4 -6.6 2.1 59.6 83 83 A K T 4 S+ 0 0 166 -2,-0.3 4,-0.3 1,-0.2 -1,-0.1 0.743 125.9 65.7 -41.6 -22.7 -4.1 -0.7 60.5 84 84 A A T >4 S+ 0 0 53 2,-0.1 3,-1.0 1,-0.1 4,-0.3 1.000 110.3 28.1 -62.6 -69.4 -6.5 -2.6 58.2 85 85 A F G >> S+ 0 0 7 -3,-0.4 3,-4.0 1,-0.2 4,-0.6 0.945 109.2 66.9 -58.1 -58.9 -5.8 -0.7 55.0 86 86 A Q G 3< S+ 0 0 52 -4,-1.6 -1,-0.2 1,-0.3 -3,-0.1 0.585 93.1 66.3 -43.3 -11.6 -2.2 0.4 55.7 87 87 A D G <4 S+ 0 0 108 -3,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.790 91.0 62.0 -81.5 -28.5 -1.4 -3.4 55.4 88 88 A K T <4 S+ 0 0 105 -3,-4.0 217,-3.4 -4,-0.3 218,-0.3 0.735 102.5 57.1 -67.3 -26.9 -2.4 -3.4 51.8 89 89 A L B < S-G 304 0C 1 -4,-0.6 215,-0.2 215,-0.2 214,-0.1 -0.730 99.3 -95.6-106.3 156.7 0.4 -0.9 50.9 90 90 A Y >> - 0 0 73 213,-1.0 3,-1.5 -2,-0.3 4,-0.5 -0.491 29.6-132.8 -69.6 139.2 4.1 -1.3 51.5 91 91 A P H >> S+ 0 0 84 0, 0.0 3,-2.2 0, 0.0 4,-2.0 0.903 102.9 65.7 -59.6 -44.6 5.2 0.5 54.8 92 92 A F H 3> S+ 0 0 91 1,-0.3 4,-0.5 2,-0.2 -2,-0.1 0.590 101.2 52.5 -56.6 -8.9 8.2 2.2 53.1 93 93 A T H <> S+ 0 0 0 -3,-1.5 4,-0.6 2,-0.2 -1,-0.3 0.642 104.4 54.7 -99.2 -19.2 5.6 4.1 51.1 94 94 A W H << S+ 0 0 7 -3,-2.2 3,-0.5 -4,-0.5 -2,-0.2 0.814 104.2 53.6 -80.5 -34.2 3.7 5.2 54.2 95 95 A D H >< S+ 0 0 100 -4,-2.0 3,-2.3 1,-0.2 -1,-0.2 0.937 101.0 64.4 -63.5 -42.1 6.8 6.7 55.7 96 96 A A H 3< S+ 0 0 9 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.773 109.8 35.2 -48.8 -37.0 7.0 8.6 52.4 97 97 A V T 3< S+ 0 0 0 -4,-0.6 7,-2.9 -3,-0.5 8,-0.6 0.191 93.9 111.2-105.9 14.3 3.8 10.5 53.1 98 98 A R E < -H 103 0D 79 -3,-2.3 2,-0.5 5,-0.2 5,-0.3 -0.780 44.8-172.7 -91.4 129.5 4.4 10.7 56.9 99 99 A Y E > S-H 102 0D 44 3,-3.7 3,-0.7 -2,-0.5 -3,-0.0 -0.833 76.4 -25.2-125.6 92.6 5.1 14.3 58.2 100 100 A N T 3 S- 0 0 145 -2,-0.5 2,-0.7 1,-0.3 -1,-0.1 0.876 126.4 -50.2 73.1 40.0 6.1 14.2 61.9 101 101 A G T 3 S+ 0 0 43 1,-0.3 -1,-0.3 -6,-0.1 0, 0.0 -0.326 120.4 103.1 95.5 -52.3 4.3 11.0 62.5 102 102 A K E < S-H 99 0D 120 -2,-0.7 -3,-3.7 -3,-0.7 2,-0.5 -0.292 70.8-129.2 -65.1 147.9 1.0 12.1 60.9 103 103 A L E +H 98 0D 12 -24,-0.3 -24,-1.0 -5,-0.3 -5,-0.2 -0.875 26.5 176.6-100.3 132.7 0.2 10.9 57.4 104 104 A I + 0 0 9 -7,-2.9 162,-0.4 -2,-0.5 2,-0.3 0.477 60.2 23.7-114.3 -7.4 -0.7 13.6 54.9 105 105 A A S S- 0 0 0 -8,-0.6 160,-0.2 160,-0.2 -1,-0.2 -0.981 73.3-107.6-155.0 164.9 -1.1 11.7 51.6 106 106 A Y E -D 264 0A 1 158,-1.4 158,-2.0 -2,-0.3 2,-0.7 -0.844 31.8-130.2 -98.5 129.7 -1.9 8.3 50.1 107 107 A P E +D 263 0A 0 0, 0.0 156,-0.3 0, 0.0 196,-0.1 -0.684 36.9 162.4 -80.7 113.8 1.0 6.4 48.5 108 108 A I E + 0 0 4 154,-3.5 195,-1.3 -2,-0.7 196,-0.4 0.839 56.8 6.1-102.6 -35.4 -0.1 5.3 45.0 109 109 A A E -DE 262 302A 0 153,-1.4 153,-4.2 193,-0.3 2,-0.5 -0.994 54.1-136.4-154.1 144.7 3.0 4.5 43.0 110 110 A V E -DE 261 301A 9 191,-2.1 191,-2.0 -2,-0.3 2,-0.4 -0.866 29.4-171.8-101.1 123.2 6.8 4.2 43.3 111 111 A E E +D 260 0A 16 149,-3.5 149,-2.1 -2,-0.5 2,-0.3 -0.936 14.5 159.6-124.8 141.4 8.8 5.7 40.5 112 112 A A - 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0 0 24 0, 0.0 -8,-0.0 0, 0.0 99,-0.0 -0.248 29.0-101.6 -56.6 138.4 23.4 -1.3 26.4 126 126 A P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.124 22.5-153.3 -58.2 160.1 26.5 0.4 27.8 127 127 A K S S+ 0 0 110 1,-0.2 122,-2.4 121,-0.1 2,-0.4 0.612 73.2 47.9-109.9 -20.5 27.4 -0.3 31.5 128 128 A T B >> -l 249 0F 32 120,-0.3 3,-0.8 1,-0.1 4,-0.7 -0.941 69.9-135.0-127.4 147.5 29.3 2.8 32.3 129 129 A W G >4 S+ 0 0 6 120,-2.5 3,-0.9 -2,-0.4 121,-0.1 0.848 112.1 61.7 -60.8 -32.1 28.7 6.5 31.8 130 130 A E G 34 S+ 0 0 74 119,-0.4 4,-0.4 1,-0.3 -1,-0.3 0.785 93.2 59.8 -65.0 -31.5 32.3 6.4 30.7 131 131 A E G <> S+ 0 0 87 -3,-0.8 4,-1.4 1,-0.2 3,-0.4 0.737 93.3 76.3 -68.5 -22.1 31.6 4.0 27.8 132 132 A I H S+ 0 0 35 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.850 116.1 39.3 -48.6 -35.8 31.4 9.3 24.9 134 134 A A H > S+ 0 0 47 -4,-0.4 4,-1.3 -3,-0.4 -2,-0.2 0.760 111.8 54.3 -85.1 -29.2 33.0 6.6 22.6 135 135 A L H < S+ 0 0 42 -4,-1.4 4,-0.5 -3,-0.3 -1,-0.2 0.697 109.4 52.1 -75.4 -20.3 29.8 4.7 21.9 136 136 A D H X S+ 0 0 4 -4,-1.9 4,-3.3 -5,-0.2 -1,-0.2 0.741 103.3 57.7 -84.8 -27.5 28.4 8.0 20.8 137 137 A K H < S+ 0 0 136 -4,-0.6 4,-0.2 -5,-0.3 -2,-0.2 0.889 107.9 43.6 -72.1 -41.3 31.3 8.7 18.4 138 138 A E T < S+ 0 0 103 -4,-1.3 4,-0.3 2,-0.1 -1,-0.2 0.720 121.4 44.4 -75.6 -21.1 30.9 5.5 16.3 139 139 A L T >4>S+ 0 0 0 -4,-0.5 3,-3.3 2,-0.2 5,-0.7 0.927 100.7 61.0 -86.6 -55.5 27.1 6.2 16.3 140 140 A K T 3<5S+ 0 0 95 -4,-3.3 3,-0.4 1,-0.3 -1,-0.2 0.606 100.2 64.8 -50.7 -7.1 27.0 9.9 15.6 141 141 A A T 3 5S+ 0 0 82 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.762 97.8 49.6 -86.4 -31.0 28.7 8.8 12.4 142 142 A K T < 5S- 0 0 119 -3,-3.3 -1,-0.2 2,-0.3 -2,-0.2 0.103 127.9 -99.1 -92.9 22.2 25.7 6.8 11.2 143 143 A G T 5S+ 0 0 65 -3,-0.4 2,-0.2 1,-0.2 -3,-0.2 0.010 92.1 113.0 86.0 -28.8 23.6 9.9 11.9 144 144 A K < - 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0 0 10 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.194 19.5-161.5 -54.0 133.2 2.5 3.2 33.6 299 299 A L - 0 0 3 1,-0.4 2,-0.5 -9,-0.2 -37,-0.2 0.690 33.1-138.9 -84.1 -23.4 2.7 4.1 37.3 300 300 A G - 0 0 0 -71,-0.2 -1,-0.4 -189,-0.1 2,-0.2 -0.860 65.8 -3.0 97.7-132.1 5.8 2.0 37.7 301 301 A A E S-E 110 0A 8 -191,-2.0 -191,-2.1 -2,-0.5 2,-0.3 -0.562 82.1-145.6 -86.9 158.7 5.7 -0.0 40.9 302 302 A V E -E 109 0A 1 -193,-0.3 -193,-0.3 2,-0.2 -212,-0.1 -0.818 21.0-123.1-127.2 168.6 2.8 0.6 43.1 303 303 A A S S+ 0 0 0 -195,-1.3 -213,-1.0 -2,-0.3 2,-0.3 0.887 86.6 91.2 -73.1 -43.7 1.9 0.7 46.8 304 304 A L B > -G 89 0C 3 -196,-0.4 4,-2.1 -215,-0.2 3,-0.3 -0.398 65.3-155.8 -60.6 117.1 -0.9 -1.9 46.6 305 305 A K H > S+ 0 0 77 -217,-3.4 4,-0.8 -2,-0.3 -1,-0.2 0.872 89.3 58.9 -60.6 -41.5 0.8 -5.2 47.4 306 306 A S H 4 S+ 0 0 55 -218,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.836 113.8 36.2 -59.5 -36.9 -1.9 -7.2 45.5 307 307 A Y H >> S+ 0 0 13 -3,-0.3 3,-1.0 2,-0.2 4,-0.8 0.795 106.8 63.2 -89.0 -31.5 -1.3 -5.4 42.2 308 308 A E H 3X S+ 0 0 8 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.681 99.2 62.6 -66.1 -13.3 2.5 -5.0 42.5 309 309 A E H 3< S+ 0 0 153 -4,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.776 103.7 42.8 -80.4 -31.7 2.5 -8.8 42.4 310 310 A E H <4 S+ 0 0 97 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.517 119.8 48.5 -91.5 -5.2 1.0 -9.0 38.9 311 311 A L H >< S+ 0 0 16 -4,-0.8 3,-3.9 2,-0.1 6,-0.3 0.867 90.0 70.9 -96.7 -51.7 3.4 -6.2 37.9 312 312 A A T 3< S+ 0 0 46 -4,-2.5 -3,-0.1 1,-0.3 -2,-0.1 0.576 84.5 78.6 -44.8 -10.6 6.8 -7.3 39.2 313 313 A K T 3 S+ 0 0 188 -4,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.703 75.9 91.2 -71.4 -22.0 6.5 -9.9 36.4 314 314 A D S X> S- 0 0 43 -3,-3.9 4,-2.1 1,-0.1 3,-1.0 -0.676 74.6-143.6 -83.6 119.3 7.5 -7.1 34.0 315 315 A P H 3> S+ 0 0 96 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.748 104.2 58.3 -50.2 -27.0 11.3 -6.7 33.2 316 316 A R H 3> S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.918 107.5 45.0 -69.9 -43.6 10.6 -3.0 33.1 317 317 A I H <> S+ 0 0 5 -3,-1.0 4,-2.4 -6,-0.3 -1,-0.2 0.819 110.8 52.4 -70.3 -33.8 9.3 -3.0 36.7 318 318 A A H X S+ 0 0 53 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.899 113.3 46.2 -67.9 -37.0 12.1 -5.2 37.9 319 319 A A H X S+ 0 0 7 -4,-1.6 4,-2.1 -5,-0.3 5,-0.3 0.874 110.0 52.6 -70.1 -39.3 14.4 -2.6 36.4 320 320 A T H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.937 111.3 48.1 -60.6 -44.8 12.5 0.2 37.9 321 321 A M H X S+ 0 0 75 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.802 108.6 54.9 -65.4 -31.5 12.9 -1.6 41.3 322 322 A E H X S+ 0 0 68 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.911 111.7 40.2 -70.7 -46.0 16.6 -2.0 40.7 323 323 A N H < S+ 0 0 2 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.821 117.5 53.9 -70.8 -30.3 17.4 1.6 40.1 324 324 A A H >< S+ 0 0 16 -4,-1.8 3,-1.5 -5,-0.3 -2,-0.2 0.971 111.7 41.1 -67.0 -53.5 15.0 2.3 42.9 325 325 A Q H 3< S+ 0 0 154 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.837 113.3 56.9 -63.1 -30.4 16.7 0.0 45.4 326 326 A K T 3< S+ 0 0 68 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.521 112.8 43.3 -78.7 -5.4 20.0 1.3 44.1 327 327 A G S < S- 0 0 22 -3,-1.5 2,-0.3 -4,-0.3 -69,-0.2 -0.344 89.3 -96.1-119.8-157.8 19.1 4.9 44.9 328 328 A E E -o 258 0I 79 -71,-0.8 -69,-3.2 -2,-0.1 2,-0.3 -0.944 26.8-116.0-129.4 150.1 17.4 6.7 47.8 329 329 A I E -o 259 0I 47 -2,-0.3 -69,-0.2 -71,-0.2 -71,-0.1 -0.638 41.0-114.6 -80.4 138.6 13.8 7.9 48.4 330 330 A M - 0 0 8 -71,-2.5 -69,-0.1 -2,-0.3 -1,-0.1 -0.377 26.5-110.1 -77.1 155.4 13.6 11.6 48.6 331 331 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -263,-0.1 -0.188 10.3-145.7 -72.0 172.0 12.6 13.5 51.7 332 332 A N + 0 0 21 -234,-0.1 -264,-1.0 -265,-0.1 -263,-0.6 0.449 56.3 127.5-115.7 -8.1 9.2 15.3 52.0 333 333 A I S > S- 0 0 28 -265,-0.2 3,-1.8 1,-0.1 -264,-0.3 -0.059 75.2-110.2 -49.1 150.3 10.6 18.1 54.2 334 334 A P T >> S+ 0 0 17 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.687 111.1 74.6 -56.8 -21.9 9.8 21.6 52.8 335 335 A Q H 3> S+ 0 0 59 1,-0.3 4,-2.9 2,-0.2 5,-0.1 0.611 72.9 82.3 -72.0 -9.3 13.4 22.2 51.9 336 336 A M H <> S+ 0 0 0 -3,-1.8 4,-3.1 -271,-0.3 -1,-0.3 0.827 87.5 55.4 -65.4 -28.0 13.1 19.9 49.0 337 337 A S H <> S+ 0 0 37 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.886 111.7 42.8 -70.4 -37.5 11.6 22.8 47.0 338 338 A A H X S+ 0 0 39 -4,-0.5 4,-2.4 2,-0.2 5,-0.3 0.882 115.5 50.3 -73.7 -40.2 14.7 24.9 47.7 339 339 A F H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.989 113.8 43.6 -59.3 -59.0 16.9 21.9 47.1 340 340 A W H X S+ 0 0 35 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.864 115.5 49.2 -53.3 -44.5 15.3 21.2 43.7 341 341 A Y H X S+ 0 0 77 -4,-2.1 4,-1.5 2,-0.2 3,-0.4 0.966 110.4 48.3 -60.8 -57.5 15.2 24.9 42.7 342 342 A A H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.829 114.2 48.2 -53.6 -37.0 18.9 25.6 43.5 343 343 A V H X S+ 0 0 3 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.806 100.5 62.8 -78.1 -29.9 20.0 22.5 41.6 344 344 A R H X S+ 0 0 94 -4,-1.6 4,-1.5 -3,-0.4 -2,-0.2 0.952 111.4 40.4 -58.4 -48.0 17.9 23.1 38.5 345 345 A T H >X>S+ 0 0 40 -4,-1.5 4,-2.7 2,-0.2 3,-0.8 0.974 111.7 53.9 -62.5 -59.7 20.0 26.3 38.0 346 346 A A H 3X5S+ 0 0 1 -4,-1.9 4,-1.2 1,-0.3 -1,-0.2 0.882 113.4 45.8 -42.8 -45.9 23.3 24.8 39.0 347 347 A V H 3X5S+ 0 0 2 -4,-2.5 4,-0.8 2,-0.2 -1,-0.3 0.794 118.7 39.3 -73.2 -30.1 22.7 22.1 36.4 348 348 A I H S+ 0 0 29 -4,-2.7 4,-1.6 1,-0.3 6,-1.0 0.807 114.9 46.6 -48.1 -35.6 24.0 27.3 34.1 350 350 A A H < - 0 0 73 -2,-0.3 4,-3.2 1,-0.1 5,-0.4 -0.588 34.4-112.5 -91.2 156.3 31.5 26.3 36.1 357 357 A V H > S+ 0 0 17 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.971 122.1 43.9 -47.3 -57.6 30.6 23.1 37.8 358 358 A D H > S+ 0 0 92 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.894 115.0 46.5 -51.9 -53.6 32.3 24.4 40.9 359 359 A E H > S+ 0 0 117 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.859 117.3 44.2 -58.6 -42.3 30.9 27.9 40.7 360 360 A A H X S+ 0 0 1 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.925 113.6 47.5 -70.3 -50.1 27.4 26.6 40.1 361 361 A L H X S+ 0 0 3 -4,-3.0 4,-1.1 -5,-0.4 -2,-0.2 0.673 112.3 48.5 -70.2 -20.3 27.3 23.9 42.7 362 362 A K H X S+ 0 0 126 -4,-1.4 4,-1.2 -5,-0.2 -1,-0.2 0.692 108.7 55.1 -89.9 -22.7 28.7 26.1 45.5 363 363 A D H X S+ 0 0 83 -4,-0.7 4,-1.7 -5,-0.2 -2,-0.2 0.837 111.0 45.2 -74.8 -34.5 26.1 28.7 44.6 364 364 A A H X S+ 0 0 1 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.826 109.3 53.6 -75.6 -36.9 23.4 26.0 45.0 365 365 A Q H X S+ 0 0 40 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.864 112.3 48.2 -64.6 -32.9 24.9 24.7 48.3 366 366 A T H < S+ 0 0 71 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.879 111.9 46.6 -73.6 -42.4 24.7 28.4 49.4 367 367 A R H >< S+ 0 0 118 -4,-1.7 3,-0.8 2,-0.2 -2,-0.2 0.952 114.3 47.2 -66.6 -49.5 21.1 28.9 48.3 368 368 A I H 3< S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.930 121.8 34.0 -59.7 -50.3 19.8 25.7 49.8 369 369 A T T 3< 0 0 32 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.344 360.0 360.0 -88.1 7.9 21.5 26.2 53.2 370 370 A K < 0 0 222 -3,-0.8 -3,-0.1 -4,-0.2 -4,-0.0 -0.168 360.0 360.0 -48.6 360.0 21.1 29.9 52.9