==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PERIPLASMIC BINDING PROTEIN 14-SEP-92 1OMP . COMPND 2 MOLECULE: D-MALTODEXTRIN BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.J.SHARFF,F.A.QUIOCHO . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15673.0 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 . 42 11.4 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 . 13 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.0 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 1 2 0 3 3 0 2 0 0 2 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 . 3 2 0 3 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 0 134 0, 0.0 55,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 102.0 -4.7 -24.7 -23.2 2 2 A I - 0 0 60 1,-0.4 2,-0.1 53,-0.1 53,-0.1 -0.141 360.0-108.8-172.8 55.4 -1.4 -22.7 -22.8 3 3 A E + 0 0 42 53,-0.1 -1,-0.4 1,-0.1 4,-0.1 -0.266 43.1 169.4 59.6-129.0 -1.8 -19.4 -24.6 4 4 A E + 0 0 67 2,-0.3 3,-0.1 -3,-0.1 -1,-0.1 0.944 65.4 10.8 83.6 102.5 0.1 -18.7 -27.8 5 5 A G S S+ 0 0 40 1,-0.3 29,-0.4 28,-0.0 2,-0.3 0.537 118.0 58.0 85.4 10.8 -0.5 -15.8 -30.2 6 6 A K S S- 0 0 42 27,-0.2 2,-0.4 2,-0.0 -1,-0.3 -0.849 77.9-113.5-150.8-178.3 -2.8 -13.8 -27.9 7 7 A L E -a 35 0A 0 27,-2.2 29,-1.7 -2,-0.3 2,-0.4 -0.993 18.0-169.5-130.7 134.9 -2.7 -12.3 -24.4 8 8 A V E -a 36 0A 23 -2,-0.4 51,-1.9 27,-0.2 50,-1.3 -0.993 12.8-169.0-123.1 129.8 -4.8 -13.3 -21.4 9 9 A I E -ab 37 59A 0 27,-3.4 29,-2.1 -2,-0.4 2,-0.4 -0.974 10.8-155.5-123.6 143.0 -4.7 -11.0 -18.4 10 10 A W E +ab 38 60A 28 49,-1.9 51,-2.5 -2,-0.4 2,-0.3 -0.976 23.5 156.9-119.5 126.7 -6.0 -11.4 -14.9 11 11 A I - 0 0 7 27,-1.9 51,-0.1 -2,-0.4 2,-0.1 -0.971 46.2 -90.5-146.1 150.2 -6.9 -8.4 -12.7 12 12 A N > - 0 0 49 -2,-0.3 3,-1.4 49,-0.2 5,-0.2 -0.355 32.5-120.0 -65.7 147.2 -9.2 -8.1 -9.7 13 13 A G T 3 S+ 0 0 31 1,-0.3 4,-0.2 26,-0.2 -1,-0.1 0.652 108.9 66.3 -58.7 -21.2 -12.9 -7.3 -10.2 14 14 A D T 3 S+ 0 0 104 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.180 93.2 79.4 -88.2 9.4 -12.5 -4.1 -8.1 15 15 A K S < S- 0 0 55 -3,-1.4 2,-2.4 -4,-0.0 3,-0.2 -0.713 100.4 -87.0-115.4 168.8 -10.2 -2.5 -10.7 16 16 A G > + 0 0 1 281,-0.4 4,-1.9 -2,-0.2 3,-0.2 -0.412 61.0 150.2 -79.8 66.0 -10.7 -0.9 -14.0 17 17 A Y H > S+ 0 0 54 -2,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.569 70.8 57.9 -73.3 -12.1 -10.7 -4.0 -16.1 18 18 A N H > S+ 0 0 86 -3,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.819 108.8 45.5 -83.0 -35.9 -13.0 -2.4 -18.7 19 19 A G H > S+ 0 0 3 274,-0.3 4,-1.0 2,-0.2 3,-0.3 0.851 112.9 50.4 -72.2 -39.8 -10.5 0.4 -19.2 20 20 A L H >X S+ 0 0 2 -4,-1.9 4,-1.5 1,-0.2 3,-0.6 0.894 106.5 54.9 -65.5 -39.3 -7.7 -2.2 -19.4 21 21 A A H 3X S+ 0 0 43 -4,-1.4 4,-0.7 1,-0.2 -1,-0.2 0.705 105.7 55.2 -62.3 -25.5 -9.8 -4.1 -22.0 22 22 A E H 3X S+ 0 0 130 -4,-0.7 4,-1.2 -3,-0.3 -1,-0.2 0.688 103.4 51.4 -78.5 -29.4 -9.9 -0.8 -24.0 23 23 A V H - 0 0 35 0, 0.0 3,-1.1 0, 0.0 -27,-0.2 -0.219 34.7 -90.0 -67.4 156.5 -11.6 -14.5 -11.6 41 41 A D T 3 S- 0 0 131 1,-0.3 5,-0.2 2,-0.1 4,-0.1 -0.473 106.7 -4.3 -67.5 135.4 -12.5 -15.1 -8.0 42 42 A K T >> S+ 0 0 117 -2,-0.2 4,-2.1 1,-0.1 3,-1.7 0.859 80.6 168.6 44.5 48.0 -9.6 -15.3 -5.6 43 43 A L H <> + 0 0 0 -3,-1.1 4,-2.5 1,-0.3 -1,-0.1 0.724 69.9 62.0 -62.2 -25.3 -7.3 -15.1 -8.6 44 44 A E H 34 S+ 0 0 24 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.651 109.8 41.6 -75.7 -14.7 -4.3 -14.6 -6.4 45 45 A E H <> S+ 0 0 77 -3,-1.7 4,-0.7 2,-0.1 -2,-0.2 0.797 116.3 48.4 -93.6 -40.8 -5.0 -18.0 -4.9 46 46 A K H X S+ 0 0 88 -4,-2.1 4,-2.1 1,-0.2 5,-0.3 0.790 99.9 68.0 -69.4 -35.7 -5.8 -19.6 -8.3 47 47 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.935 97.5 49.3 -51.0 -61.2 -2.6 -18.2 -9.9 48 48 A P H > S+ 0 0 33 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.852 112.9 50.2 -51.9 -34.5 -0.1 -20.3 -8.0 49 49 A Q H < S+ 0 0 130 -4,-0.7 4,-0.4 -3,-0.2 -2,-0.2 0.926 116.7 35.6 -69.5 -56.4 -2.1 -23.4 -8.8 50 50 A V H ><>S+ 0 0 48 -4,-2.1 5,-2.5 1,-0.2 3,-0.6 0.802 116.7 53.2 -71.2 -35.5 -2.5 -23.0 -12.5 51 51 A A H ><5S+ 0 0 7 -4,-2.9 3,-2.1 -5,-0.3 -2,-0.2 0.832 99.2 63.2 -68.9 -36.7 0.9 -21.5 -13.1 52 52 A A T 3<5S+ 0 0 78 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.704 107.6 44.9 -59.3 -21.7 2.6 -24.4 -11.2 53 53 A T T < 5S- 0 0 103 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.170 126.4-100.7-107.5 16.8 1.2 -26.6 -14.1 54 54 A G T < 5S+ 0 0 31 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.775 90.6 108.1 65.9 33.9 2.3 -24.2 -16.9 55 55 A D < + 0 0 60 -5,-2.5 -1,-0.2 -8,-0.1 214,-0.2 -0.506 34.9 74.8-118.8-170.1 -1.3 -22.7 -17.2 56 56 A G S S- 0 0 33 -2,-0.2 2,-0.1 -3,-0.1 -53,-0.1 -0.490 83.0 -32.7 97.3-167.3 -2.9 -19.4 -16.3 57 57 A P - 0 0 1 0, 0.0 210,-0.2 0, 0.0 -48,-0.2 -0.456 45.4-124.9 -85.0 162.0 -2.8 -15.9 -17.8 58 58 A D S S+ 0 0 1 -50,-1.3 209,-2.7 1,-0.2 2,-0.4 0.819 98.8 26.7 -69.6 -37.6 0.2 -14.4 -19.6 59 59 A I E -bC 9 266A 1 -51,-1.9 -49,-1.9 207,-0.2 2,-0.4 -0.987 66.6-166.5-137.6 141.9 -0.0 -11.5 -17.2 60 60 A I E -bC 10 265A 0 205,-2.3 205,-2.5 -2,-0.4 2,-0.5 -0.983 8.6-152.4-126.7 139.2 -1.3 -11.0 -13.6 61 61 A F E + C 0 264A 4 -51,-2.5 2,-0.3 -2,-0.4 -49,-0.2 -0.951 36.4 129.7-112.6 128.7 -2.0 -7.8 -11.7 62 62 A W E - C 0 263A 46 201,-1.7 201,-2.5 -2,-0.5 5,-0.1 -0.958 63.8 -70.5-165.2 163.4 -1.8 -7.8 -7.9 63 63 A A E > - C 0 262A 28 -2,-0.3 3,-1.1 199,-0.2 4,-0.3 -0.403 51.7-116.8 -57.1 144.8 -0.2 -5.9 -5.1 64 64 A H G >> S+ 0 0 1 197,-2.5 3,-1.3 1,-0.2 4,-0.6 0.676 104.0 73.5 -56.7 -34.0 3.6 -6.5 -5.1 65 65 A D G >4 S+ 0 0 58 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.845 95.0 52.1 -57.9 -34.9 3.8 -8.2 -1.7 66 66 A R G <> S+ 0 0 78 -3,-1.1 4,-1.1 1,-0.2 3,-0.5 0.699 94.7 72.7 -72.1 -23.4 2.2 -11.4 -3.1 67 67 A F H <> S+ 0 0 0 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.667 84.1 67.8 -67.6 -26.5 4.8 -11.5 -5.9 68 68 A G H S+ 0 0 36 -3,-0.5 4,-1.3 -4,-0.4 -1,-0.2 0.822 115.0 50.8 -67.1 -39.2 6.0 -15.9 -2.9 70 70 A Y H <>S+ 0 0 4 -4,-1.1 5,-2.7 2,-0.2 6,-0.3 0.909 111.7 46.9 -64.4 -47.6 5.2 -16.3 -6.7 71 71 A A H ><5S+ 0 0 17 -4,-2.5 3,-1.6 3,-0.2 -2,-0.2 0.809 104.9 61.5 -61.5 -39.8 8.8 -15.5 -7.7 72 72 A Q H 3<5S+ 0 0 110 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.904 106.8 44.8 -57.7 -48.1 10.1 -17.9 -5.0 73 73 A S T 3<5S- 0 0 85 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.128 120.0-112.4 -80.8 7.9 8.3 -20.8 -6.8 74 74 A G T < 5S+ 0 0 48 -3,-1.6 -3,-0.2 2,-0.1 -2,-0.1 0.689 74.9 135.2 64.9 35.2 9.6 -19.5 -10.2 75 75 A L < + 0 0 17 -5,-2.7 193,-2.4 -6,-0.1 2,-0.4 0.619 54.1 68.9 -84.9 -14.3 6.2 -18.5 -11.5 76 76 A L B S-F 267 0B 15 -6,-0.3 191,-0.2 191,-0.3 2,-0.1 -0.906 76.7-126.3-113.9 138.0 7.3 -15.1 -12.8 77 77 A A - 0 0 12 189,-2.9 189,-0.4 -2,-0.4 2,-0.2 -0.410 32.1-111.3 -76.4 145.8 9.5 -14.1 -15.7 78 78 A E - 0 0 103 -2,-0.1 2,-0.3 187,-0.1 26,-0.2 -0.571 36.1-142.4 -74.1 139.9 12.4 -11.8 -15.1 79 79 A I - 0 0 7 24,-2.7 24,-0.4 -2,-0.2 26,-0.1 -0.815 15.7-166.7-110.2 151.8 11.8 -8.4 -16.7 80 80 A T + 0 0 97 -2,-0.3 2,-0.1 24,-0.1 -2,-0.0 -0.389 12.0 170.7-138.9 68.5 14.3 -6.2 -18.4 81 81 A P - 0 0 6 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.483 39.5-115.9 -68.1 147.7 13.0 -2.7 -19.1 82 82 A D >> - 0 0 100 -2,-0.1 4,-2.3 1,-0.1 3,-1.1 -0.367 30.0 -94.4 -84.3 167.7 16.0 -0.6 -20.2 83 83 A K H 3> S+ 0 0 157 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.815 124.1 55.1 -42.8 -46.6 17.3 2.4 -18.3 84 84 A A H 34 S+ 0 0 60 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.796 108.7 45.1 -61.5 -41.7 15.2 4.8 -20.3 85 85 A F H X4 S+ 0 0 8 -3,-1.1 3,-1.4 1,-0.2 4,-0.3 0.872 110.5 57.2 -72.0 -38.5 12.0 3.0 -19.5 86 86 A Q H >< S+ 0 0 55 -4,-2.3 3,-1.0 1,-0.3 -2,-0.2 0.775 98.6 58.9 -60.8 -34.6 13.0 2.8 -15.9 87 87 A D T 3< S+ 0 0 92 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.566 90.2 72.6 -75.2 -9.6 13.5 6.5 -15.6 88 88 A K T < S+ 0 0 106 -3,-1.4 217,-1.7 -4,-0.2 218,-0.5 0.608 96.5 57.6 -77.9 -16.8 9.8 7.1 -16.6 89 89 A L B < S-G 304 0C 0 -3,-1.0 215,-0.2 215,-0.3 214,-0.1 -0.792 102.1 -86.1-115.7 155.8 8.7 5.8 -13.1 90 90 A Y >> - 0 0 36 213,-1.9 3,-1.6 -2,-0.3 4,-0.6 -0.475 38.9-130.8 -61.2 129.4 9.4 6.8 -9.5 91 91 A P H >> S+ 0 0 86 0, 0.0 3,-1.6 0, 0.0 4,-0.7 0.861 103.8 60.5 -50.3 -44.6 12.6 5.1 -8.5 92 92 A F H 34 S+ 0 0 41 1,-0.3 4,-0.4 2,-0.2 3,-0.4 0.732 94.9 64.7 -59.2 -26.1 11.2 3.9 -5.2 93 93 A T H X4 S+ 0 0 0 -3,-1.6 3,-0.9 1,-0.2 4,-0.3 0.808 93.3 59.7 -72.0 -28.0 8.6 1.9 -7.1 94 94 A W H X< S+ 0 0 7 -3,-1.6 3,-0.9 -4,-0.6 -1,-0.2 0.760 95.5 64.7 -70.0 -25.9 11.2 -0.3 -8.7 95 95 A D G >< S+ 0 0 47 -4,-0.7 3,-0.7 -3,-0.4 -1,-0.2 0.727 95.2 58.9 -66.3 -25.0 12.2 -1.4 -5.2 96 96 A A G < S+ 0 0 2 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.606 105.7 46.7 -77.2 -24.7 8.8 -3.0 -4.7 97 97 A V G < S+ 0 0 1 -3,-0.9 7,-2.8 -4,-0.3 8,-0.6 -0.027 85.3 107.8-112.2 24.7 9.1 -5.4 -7.6 98 98 A R E < -H 103 0D 64 -3,-0.7 2,-0.5 5,-0.3 5,-0.2 -0.906 46.1-170.0-103.2 127.8 12.7 -6.7 -7.0 99 99 A Y E > S-H 102 0D 33 3,-3.4 3,-1.5 -2,-0.5 76,-0.1 -0.926 77.8 -29.0-126.4 99.7 12.9 -10.3 -5.7 100 100 A N T 3 S- 0 0 87 74,-0.8 75,-0.2 -2,-0.5 -1,-0.1 0.903 127.6 -45.4 55.1 53.0 16.5 -11.0 -4.6 101 101 A G T 3 S+ 0 0 40 73,-1.5 2,-0.3 1,-0.2 -1,-0.3 -0.052 116.9 110.8 86.8 -27.4 17.9 -8.5 -7.0 102 102 A K E < -H 99 0D 109 -3,-1.5 -3,-3.4 72,-0.1 2,-0.6 -0.661 69.0-127.6 -84.1 133.8 15.8 -9.7 -10.0 103 103 A L E +H 98 0D 26 -24,-0.4 -24,-2.7 -2,-0.3 -5,-0.3 -0.721 33.4 171.1 -77.6 119.5 13.0 -7.4 -11.4 104 104 A I + 0 0 8 -7,-2.8 2,-0.3 -2,-0.6 162,-0.3 0.275 55.0 12.6-119.0 11.6 9.9 -9.5 -11.5 105 105 A A - 0 0 0 -8,-0.6 160,-0.2 160,-0.1 -1,-0.2 -0.973 69.8-105.7-174.9 163.0 7.1 -7.1 -12.3 106 106 A Y E -D 264 0A 1 158,-2.9 158,-2.6 -2,-0.3 2,-0.1 -0.917 36.7-123.8-102.7 133.7 6.2 -3.6 -13.5 107 107 A P E +D 263 0A 0 0, 0.0 156,-0.2 0, 0.0 3,-0.1 -0.444 35.8 167.6 -72.2 136.5 4.9 -1.1 -10.9 108 108 A I E + 0 0 4 154,-3.2 195,-2.7 1,-0.5 196,-0.5 0.677 56.8 5.3-114.7 -64.0 1.5 0.4 -11.8 109 109 A A E -DE 262 302A 7 153,-0.9 153,-1.4 193,-0.3 -1,-0.5 -0.809 60.4-140.3-126.4 161.7 -0.2 2.2 -8.9 110 110 A V E -DE 261 301A 1 191,-2.1 191,-0.9 -2,-0.3 2,-0.4 -0.963 14.7-172.7-126.5 138.9 0.9 3.2 -5.3 111 111 A E E +D 260 0A 71 149,-2.2 149,-2.0 -2,-0.4 2,-0.3 -0.996 13.5 152.9-135.8 138.3 -1.2 3.2 -2.1 112 112 A A - 0 0 0 -2,-0.4 212,-0.1 147,-0.2 147,-0.1 -0.944 45.2 -94.0-157.9 154.9 -0.4 4.5 1.4 113 113 A L - 0 0 0 145,-0.4 2,-0.3 -2,-0.3 115,-0.2 -0.356 41.1-169.7 -69.3 157.4 -2.3 5.7 4.4 114 114 A S E -I 227 0E 1 113,-2.6 113,-1.6 132,-0.1 2,-0.5 -0.889 31.4 -97.1-142.0 165.8 -2.9 9.5 4.8 115 115 A L E -IJ 226 245E 2 130,-2.0 130,-2.8 -2,-0.3 2,-0.4 -0.826 38.8-165.0 -85.6 121.1 -4.2 11.8 7.5 116 116 A I E -IJ 225 244E 0 109,-2.5 109,-2.3 -2,-0.5 2,-0.3 -0.959 13.1-179.1-107.0 130.9 -7.9 12.6 6.7 117 117 A Y E -IJ 224 243E 31 126,-2.5 126,-2.0 -2,-0.4 2,-0.7 -0.919 33.7-114.0-139.5 159.0 -9.4 15.6 8.6 118 118 A N E >> - 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0 0 7 -3,-1.7 3,-0.6 -212,-0.2 -267,-0.1 -0.467 54.3-157.1 -73.8 138.9 3.9 -17.9 -21.2 271 271 A P T 3 S+ 0 0 81 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.505 89.0 65.7 -82.3 -4.6 5.0 -18.3 -24.8 272 272 A N T 3> + 0 0 11 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.101 54.0 130.0-112.1 37.5 4.1 -14.6 -25.3 273 273 A K H <> S+ 0 0 76 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.736 75.3 51.0 -64.2 -33.3 6.6 -12.7 -23.2 274 274 A E H > S+ 0 0 135 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.910 111.2 49.1 -71.6 -40.4 7.7 -10.3 -25.9 275 275 A L H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.903 111.6 50.6 -62.6 -44.3 4.1 -9.5 -26.6 276 276 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.907 109.9 48.1 -59.1 -47.9 3.5 -8.9 -22.9 277 277 A K H X S+ 0 0 39 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.833 112.9 49.1 -65.9 -31.7 6.4 -6.5 -22.5 278 278 A E H X S+ 0 0 63 -4,-1.6 4,-2.2 2,-0.2 5,-0.3 0.932 112.8 46.4 -75.7 -43.8 5.3 -4.6 -25.5 279 279 A F H X>S+ 0 0 0 -4,-2.6 5,-2.4 3,-0.2 4,-2.0 0.965 119.2 42.4 -58.2 -55.4 1.7 -4.3 -24.3 280 280 A L H <>S+ 0 0 0 -4,-3.1 5,-2.4 3,-0.2 -2,-0.2 0.929 120.9 37.4 -59.8 -54.5 2.9 -3.3 -20.8 281 281 A E H <5S+ 0 0 13 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.868 129.5 26.7 -73.9 -31.4 5.7 -0.9 -21.7 282 282 A N H <5S+ 0 0 90 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.482 131.0 26.6-112.5 -4.4 4.2 0.8 -24.8 283 283 A Y T <5S+ 0 0 43 -4,-2.0 3,-0.4 -5,-0.3 6,-0.2 0.689 127.0 31.8-118.9 -54.1 0.4 0.7 -24.4 284 284 A L T S- 0 0 30 -2,-2.2 4,-2.6 -3,-0.4 5,-0.4 -0.898 91.1-103.8-136.5 161.0 1.6 5.5 -21.0 287 287 A D H > S+ 0 0 58 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.873 123.8 46.8 -54.8 -40.1 -0.5 8.6 -20.2 288 288 A E H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.826 111.5 49.6 -73.9 -32.3 -3.3 7.2 -22.5 289 289 A G H > S+ 0 0 2 -3,-0.3 4,-1.6 -6,-0.2 -2,-0.2 0.943 114.0 43.5 -71.8 -49.6 -3.1 3.7 -21.1 290 290 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 -6,-0.4 5,-0.2 0.865 113.2 55.8 -62.8 -36.4 -3.4 4.7 -17.4 291 291 A E H X S+ 0 0 71 -4,-1.6 4,-2.3 -5,-0.4 -1,-0.2 0.904 104.7 48.9 -64.1 -46.2 -6.1 7.2 -18.4 292 292 A A H X S+ 0 0 18 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.872 117.3 43.4 -61.3 -38.8 -8.4 4.6 -20.1 293 293 A V H >X S+ 0 0 8 -4,-1.6 4,-2.0 -274,-0.2 3,-0.9 0.950 112.8 50.8 -70.2 -51.0 -8.0 2.4 -17.0 294 294 A N H 3< S+ 0 0 32 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.822 104.0 59.8 -53.5 -41.1 -8.4 5.3 -14.5 295 295 A K H 3< S+ 0 0 148 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.827 108.9 44.3 -58.7 -34.5 -11.6 6.4 -16.3 296 296 A D H << S- 0 0 50 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.933 140.4 -11.2 -76.1 -50.2 -13.1 3.0 -15.5 297 297 A K S < S- 0 0 61 -4,-2.0 -281,-0.4 -281,-0.2 -1,-0.3 -0.931 83.7-104.3-153.9 126.7 -12.0 2.9 -11.9 298 298 A P - 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.264 19.4-159.4 -57.8 140.8 -9.4 5.3 -10.3 299 299 A L - 0 0 21 1,-0.4 2,-0.3 -9,-0.1 -189,-0.2 0.570 28.1-140.5 -91.7 -19.2 -6.0 3.9 -9.7 300 300 A G + 0 0 8 -191,-0.1 -1,-0.4 -71,-0.1 2,-0.2 -0.734 68.7 0.7 87.9-141.0 -5.0 6.4 -7.0 301 301 A A E S-E 110 0A 0 -191,-0.9 -191,-2.1 -2,-0.3 2,-0.3 -0.504 81.1-146.6 -75.8 148.0 -1.4 7.6 -7.3 302 302 A V E -E 109 0A 0 -193,-0.3 -193,-0.3 -2,-0.2 -194,-0.1 -0.814 17.5-130.2-119.3 159.7 0.4 6.0 -10.3 303 303 A A S S+ 0 0 0 -195,-2.7 -213,-1.9 -2,-0.3 2,-0.6 0.763 83.6 92.5 -79.1 -25.6 4.0 5.0 -10.8 304 304 A L B > -G 89 0C 5 -196,-0.5 4,-2.1 -215,-0.2 3,-0.5 -0.656 69.7-149.2 -71.9 110.1 4.4 6.8 -14.2 305 305 A K H > S+ 0 0 74 -217,-1.7 4,-1.7 -2,-0.6 -1,-0.1 0.759 90.3 54.7 -48.3 -43.9 5.8 10.3 -13.4 306 306 A S H > S+ 0 0 59 -218,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.892 114.3 37.6 -63.3 -46.1 4.1 12.0 -16.3 307 307 A Y H > S+ 0 0 6 -3,-0.5 4,-2.4 2,-0.2 3,-0.5 0.828 110.9 60.3 -78.8 -30.9 0.6 10.9 -15.6 308 308 A E H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.897 99.6 58.2 -62.6 -39.3 1.1 11.2 -11.8 309 309 A E H < S+ 0 0 142 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.823 108.5 45.3 -60.9 -29.7 1.8 14.9 -12.4 310 310 A E H >< S+ 0 0 100 -4,-0.7 3,-1.3 -3,-0.5 -1,-0.2 0.904 114.8 47.4 -76.9 -44.6 -1.7 15.3 -14.0 311 311 A L H >< S+ 0 0 18 -4,-2.4 3,-1.6 1,-0.3 6,-0.3 0.789 94.6 74.9 -64.8 -34.4 -3.4 13.3 -11.3 312 312 A A T 3< S+ 0 0 36 -4,-2.5 -1,-0.3 1,-0.3 6,-0.2 0.420 70.8 85.6 -63.3 -2.0 -1.7 15.2 -8.5 313 313 A K T < S+ 0 0 183 -3,-1.3 -1,-0.3 4,-0.1 -2,-0.1 0.529 77.6 76.9 -73.3 -13.6 -4.0 18.2 -9.2 314 314 A D S X> S- 0 0 41 -3,-1.6 4,-1.9 1,-0.1 3,-0.5 -0.948 83.6-149.5 -94.3 113.5 -6.3 16.3 -6.9 315 315 A P H 3> S+ 0 0 93 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.723 94.2 61.4 -63.7 -21.0 -4.8 17.1 -3.5 316 316 A R H 3> S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.861 107.6 44.4 -69.4 -38.4 -5.9 13.7 -2.1 317 317 A I H <> S+ 0 0 16 -3,-0.5 4,-2.4 -6,-0.3 5,-0.2 0.906 111.8 52.1 -73.1 -39.2 -3.8 12.0 -4.7 318 318 A A H X S+ 0 0 37 -4,-1.9 4,-1.8 -7,-0.2 -2,-0.2 0.820 110.6 48.6 -61.8 -40.8 -0.8 14.3 -4.1 319 319 A A H X S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.887 107.9 54.5 -67.0 -42.8 -1.0 13.5 -0.4 320 320 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.919 111.3 45.4 -54.3 -56.0 -1.2 9.8 -1.1 321 321 A M H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.896 111.5 52.6 -57.8 -43.4 2.0 10.0 -3.1 322 322 A E H X S+ 0 0 81 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.899 111.8 44.6 -59.9 -43.1 3.8 12.2 -0.6 323 323 A N H X S+ 0 0 2 -4,-2.2 4,-0.7 2,-0.2 3,-0.4 0.856 112.6 53.2 -67.0 -43.7 3.1 9.8 2.3 324 324 A A H >< S+ 0 0 2 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.845 105.1 54.0 -62.5 -39.4 4.1 6.8 0.1 325 325 A Q H 3< S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.724 114.3 41.8 -68.6 -24.6 7.4 8.5 -0.7 326 326 A K H 3< S+ 0 0 76 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.528 105.6 86.0 -96.0 -12.5 8.1 8.8 3.0 327 327 A G S << S- 0 0 22 -4,-0.7 2,-0.5 -3,-0.6 -69,-0.2 0.100 82.9 -95.7 -80.2-172.7 6.8 5.3 3.9 328 328 A E E -o 258 0I 25 -71,-2.4 -69,-1.9 -72,-0.0 2,-0.1 -0.952 32.6-123.7-112.0 115.2 8.3 1.8 4.0 329 329 A I E -o 259 0I 28 -2,-0.5 -69,-0.1 -71,-0.2 -71,-0.1 -0.467 38.2-110.6 -58.2 132.9 7.8 -0.5 1.0 330 330 A M - 0 0 18 -71,-1.9 -69,-0.1 1,-0.1 -1,-0.1 -0.581 36.0-111.1 -68.7 122.3 6.1 -3.6 2.4 331 331 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -263,-0.1 -0.128 19.1-152.3 -53.8 135.0 8.6 -6.6 2.3 332 332 A N + 0 0 9 -234,-0.2 -263,-0.2 -264,-0.1 -264,-0.1 0.425 58.7 110.0 -94.4 5.1 7.7 -9.2 -0.2 333 333 A I S > S- 0 0 12 -265,-0.1 3,-1.3 1,-0.1 4,-0.1 -0.377 78.2-115.1 -82.5 155.5 9.4 -12.1 1.6 334 334 A P T > S+ 0 0 55 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.760 107.6 71.4 -62.1 -32.2 7.7 -15.0 3.4 335 335 A Q T 3> S+ 0 0 62 1,-0.3 4,-1.2 2,-0.2 3,-0.4 0.533 77.5 83.9 -62.0 -10.1 9.0 -14.0 6.9 336 336 A M H <> S+ 0 0 9 -3,-1.3 4,-2.2 1,-0.2 -1,-0.3 0.765 79.1 65.0 -66.1 -26.5 6.5 -11.1 6.7 337 337 A S H <> S+ 0 0 84 -3,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.866 99.9 50.7 -65.6 -35.3 3.9 -13.5 8.0 338 338 A A H > S+ 0 0 28 -3,-0.4 4,-2.6 -4,-0.3 5,-0.2 0.892 107.9 53.8 -65.0 -42.8 5.8 -13.7 11.2 339 339 A F H X>S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 5,-0.5 0.933 105.4 52.9 -59.8 -48.1 5.9 -9.9 11.5 340 340 A W H X5S+ 0 0 52 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.948 115.2 38.6 -54.4 -57.1 2.1 -9.5 11.1 341 341 A Y H X5S+ 0 0 111 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.916 119.0 47.6 -62.4 -47.5 1.2 -11.9 13.9 342 342 A A H X5S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.907 116.1 40.7 -58.9 -56.0 4.0 -10.9 16.2 343 343 A V H X5S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.868 111.6 58.9 -64.6 -33.6 3.6 -7.1 15.9 344 344 A R H XS+ 0 0 34 -4,-2.2 6,-1.4 2,-0.2 5,-0.6 0.895 113.0 43.7 -72.2 -49.3 -0.7 -6.4 24.6 350 350 A A H ><5S+ 0 0 5 -4,-2.2 3,-0.6 4,-0.2 -1,-0.2 0.770 115.6 51.4 -64.7 -34.3 1.1 -3.1 25.3 351 351 A A H 3<5S+ 0 0 25 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.760 110.8 45.6 -72.2 -37.1 -2.2 -1.3 24.7 352 352 A S T 3<5S- 0 0 62 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.222 111.8-115.9 -91.8 5.5 -4.2 -3.4 27.1 353 353 A G T < 5S+ 0 0 63 -3,-0.6 -3,-0.2 2,-0.3 -4,-0.1 0.277 82.2 124.4 75.7 -10.0 -1.5 -3.3 29.9 354 354 A R S - 0 0 68 -2,-0.3 4,-3.3 1,-0.1 5,-0.2 -0.377 34.8-109.1 -83.6 169.8 5.0 -3.3 29.0 357 357 A V H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.927 120.6 49.7 -64.3 -49.4 6.4 -1.7 25.9 358 358 A D H > S+ 0 0 98 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.845 117.8 41.4 -55.9 -41.2 9.9 -3.0 26.5 359 359 A E H > S+ 0 0 91 2,-0.2 4,-2.4 3,-0.2 -2,-0.2 0.897 111.9 52.4 -73.1 -53.8 8.5 -6.5 27.0 360 360 A A H X S+ 0 0 1 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.870 116.8 39.4 -53.6 -44.3 5.9 -6.5 24.2 361 361 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.844 110.1 57.6 -79.5 -37.2 8.5 -5.5 21.6 362 362 A K H X S+ 0 0 101 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.932 110.5 46.7 -57.1 -45.8 11.3 -7.6 23.0 363 363 A D H X S+ 0 0 30 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.865 111.6 48.7 -59.6 -50.4 9.0 -10.7 22.5 364 364 A A H X S+ 0 0 1 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.916 109.5 52.7 -59.8 -46.4 7.9 -9.7 19.0 365 365 A Q H >X S+ 0 0 36 -4,-2.6 4,-1.9 1,-0.2 3,-0.5 0.902 109.6 52.1 -53.4 -46.2 11.5 -9.2 17.9 366 366 A T H 3< S+ 0 0 71 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.918 107.9 48.4 -58.4 -50.7 12.2 -12.6 19.3 367 367 A R H 3< S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.615 112.5 49.6 -66.7 -20.9 9.4 -14.4 17.3 368 368 A I H << S+ 0 0 13 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.844 115.7 39.1 -84.0 -45.8 10.4 -12.7 14.0 369 369 A T < 0 0 39 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.1 0.183 360.0 360.0 -88.1 7.2 14.2 -13.5 14.1 370 370 A K 0 0 206 -4,-0.2 -1,-0.1 -5,-0.1 -4,-0.1 -0.407 360.0 360.0 -74.3 360.0 13.3 -17.0 15.6