==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 29-JUN-01 1JI5 . COMPND 2 MOLECULE: DLP-1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR E.PAPINUTTO,W.G.DUNDON,N.PITULIS,R.BATTISTUTTA,C.MONTECUCCO, . 568 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 82.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 412 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 0 0 8 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A Q > 0 0 154 0, 0.0 4,-0.7 0, 0.0 110,-0.1 0.000 360.0 360.0 360.0 171.4 16.5 -31.1 -26.5 2 5 A V H > + 0 0 4 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.825 360.0 67.7 -77.1 -34.8 16.0 -29.0 -23.4 3 6 A I H > S+ 0 0 31 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.820 98.0 53.1 -53.9 -32.1 12.8 -27.6 -24.9 4 7 A E H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.873 106.6 50.0 -73.9 -36.7 11.4 -31.1 -24.5 5 8 A V H >X S+ 0 0 33 -4,-0.7 4,-1.8 -3,-0.4 3,-0.5 0.977 115.4 44.5 -62.6 -53.0 12.3 -31.2 -20.8 6 9 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.904 110.2 53.9 -57.2 -46.3 10.7 -27.9 -20.3 7 10 A N H 3X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.799 107.4 51.1 -63.1 -27.2 7.6 -28.8 -22.4 8 11 A K H S- 0 0 11 396,-3.1 3,-1.6 -2,-0.3 4,-0.2 -0.620 96.4 -45.2 113.4-175.3 -12.7 -33.6 7.1 30 33 A P T 3 S+ 0 0 61 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.495 134.7 57.2 -73.6 -3.2 -11.4 -31.7 10.1 31 34 A Q T 3> S+ 0 0 51 -3,-0.2 4,-3.2 1,-0.1 5,-0.4 0.228 76.3 110.2-108.7 8.8 -8.5 -30.6 8.0 32 35 A F H <> S+ 0 0 0 -3,-1.6 4,-4.5 2,-0.2 5,-0.4 0.952 77.0 41.2 -46.6 -71.3 -10.8 -29.1 5.4 33 36 A F H > S+ 0 0 29 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 119.0 44.5 -49.1 -50.5 -10.0 -25.4 5.9 34 37 A T H > S+ 0 0 55 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 122.0 38.3 -67.2 -38.4 -6.3 -25.9 6.3 35 38 A L H X S+ 0 0 7 -4,-3.2 4,-2.5 2,-0.2 5,-0.2 0.848 110.6 58.4 -78.5 -34.9 -6.1 -28.3 3.3 36 39 A H H X S+ 0 0 22 -4,-4.5 4,-1.1 -5,-0.4 -2,-0.2 0.920 113.7 43.2 -56.4 -41.8 -8.6 -26.4 1.2 37 40 A E H >X S+ 0 0 134 -4,-1.9 4,-1.9 -5,-0.4 3,-0.6 0.966 109.3 53.5 -68.8 -56.9 -6.3 -23.5 1.6 38 41 A K H 3X S+ 0 0 44 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.885 106.6 53.1 -48.8 -47.4 -3.0 -25.3 1.1 39 42 A F H 3X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.889 107.0 51.6 -58.7 -40.1 -4.1 -26.7 -2.3 40 43 A E H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 3,-0.8 0.953 114.9 48.5 -56.4 -53.8 8.9 -22.4 -18.0 54 57 A A H 3X S+ 0 0 0 -4,-1.4 4,-2.5 -5,-0.5 -1,-0.2 0.948 114.1 46.1 -50.9 -53.6 6.8 -21.7 -21.2 55 58 A E H 3X S+ 0 0 67 -4,-2.7 4,-0.9 1,-0.2 -1,-0.3 0.683 109.8 58.2 -65.8 -16.5 8.4 -18.2 -21.4 56 59 A R H XX S+ 0 0 57 -4,-1.1 4,-1.1 -3,-0.8 3,-0.7 0.962 109.8 39.0 -76.9 -52.5 11.7 -19.9 -20.7 57 60 A I H 3<>S+ 0 0 0 -4,-2.7 5,-3.2 1,-0.3 3,-0.4 0.857 114.0 58.2 -63.2 -30.9 11.6 -22.2 -23.7 58 61 A L H ><5S+ 0 0 51 -4,-2.5 3,-0.8 -5,-0.4 -1,-0.3 0.832 105.0 50.1 -66.0 -30.8 10.1 -19.2 -25.5 59 62 A A H <<5S+ 0 0 73 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.644 108.2 52.9 -81.5 -17.4 13.2 -17.3 -24.6 60 63 A I T 3<5S- 0 0 49 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 -0.003 126.0 -95.5-107.2 28.1 15.5 -20.0 -25.9 61 64 A G T < 5S+ 0 0 60 -3,-0.8 -3,-0.2 1,-0.2 -2,-0.1 0.554 83.1 131.5 74.1 9.1 13.8 -20.2 -29.3 62 65 A G < - 0 0 3 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.0 -0.320 56.8-124.7 -88.7 174.4 11.4 -23.0 -28.5 63 66 A K - 0 0 136 -2,-0.1 2,-0.1 106,-0.0 3,-0.1 -0.940 26.4-136.1-123.6 106.5 7.7 -23.4 -29.0 64 67 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -10,-0.0 -0.354 21.8-111.5 -64.7 133.9 5.7 -24.2 -25.8 65 68 A V + 0 0 15 1,-0.1 -11,-0.0 -2,-0.1 3,-0.0 -0.429 40.1 178.0 -61.5 136.5 3.0 -26.9 -25.9 66 69 A A + 0 0 1 157,-0.1 2,-0.3 -2,-0.1 157,-0.3 -0.140 40.2 80.8-144.3 48.4 -0.3 -25.1 -25.5 67 70 A T > - 0 0 8 1,-0.1 4,-2.3 155,-0.1 5,-0.1 -0.985 68.5-132.3-147.5 141.8 -3.3 -27.3 -25.7 68 71 A M H > S+ 0 0 3 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.877 108.8 64.8 -61.9 -32.6 -4.8 -29.5 -23.0 69 72 A K H > S+ 0 0 119 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.943 106.2 39.1 -52.7 -55.5 -4.8 -32.2 -25.7 70 73 A E H > S+ 0 0 51 2,-0.2 4,-1.1 1,-0.2 5,-0.3 0.938 111.8 58.8 -62.2 -46.4 -1.0 -32.3 -26.0 71 74 A Y H >X S+ 0 0 2 -4,-2.3 4,-3.6 1,-0.2 3,-1.1 0.916 106.3 49.3 -46.6 -51.1 -0.6 -31.9 -22.2 72 75 A L H 3< S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.886 110.8 48.3 -58.7 -43.2 -2.6 -35.1 -21.8 73 76 A E H 3< S+ 0 0 132 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.554 124.1 30.6 -79.1 -4.5 -0.6 -37.1 -24.3 74 77 A I H << S+ 0 0 46 -4,-1.1 -2,-0.2 -3,-1.1 -3,-0.2 0.680 92.2 96.5-121.9 -30.4 2.7 -36.0 -22.8 75 78 A S < - 0 0 20 -4,-3.6 -66,-0.1 -5,-0.3 -67,-0.0 -0.296 53.1-157.7 -62.5 148.3 2.3 -35.4 -19.1 76 79 A S + 0 0 74 -68,-0.2 2,-0.4 -3,-0.0 -1,-0.1 0.311 59.6 110.2-106.7 4.0 3.3 -38.3 -16.8 77 80 A I - 0 0 16 1,-0.1 -2,-0.1 22,-0.0 19,-0.0 -0.667 67.8-134.4 -83.3 133.8 1.1 -37.0 -13.9 78 81 A Q - 0 0 154 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 0.946 32.0-179.2 -51.4 -75.7 -2.0 -39.2 -13.2 79 82 A E + 0 0 17 1,-0.2 131,-0.1 2,-0.1 -1,-0.1 -0.503 44.1 46.3 99.0-171.9 -5.0 -36.9 -12.8 80 83 A A + 0 0 36 129,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 -0.001 46.8 147.8 41.1-130.8 -8.6 -37.7 -12.0 81 84 A A > - 0 0 42 -3,-0.1 3,-0.6 2,-0.1 -1,-0.1 0.989 30.0-167.7 67.1 81.3 -9.1 -40.2 -9.2 82 85 A Y T 3 + 0 0 77 1,-0.2 2,-4.0 2,-0.0 -56,-0.0 0.991 66.4 51.7 -67.9 -79.1 -12.3 -39.0 -7.7 83 86 A G T 3 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.067 78.3 154.2 -54.9 37.0 -13.2 -40.5 -4.3 84 87 A E < - 0 0 60 -2,-4.0 2,-0.1 -3,-0.6 -3,-0.0 -0.333 40.4-120.2 -74.1 147.0 -9.8 -39.6 -2.8 85 88 A T > - 0 0 86 1,-0.1 4,-3.2 -58,-0.1 5,-0.2 -0.286 23.0-113.3 -78.4 163.9 -9.2 -39.0 1.0 86 89 A A H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.969 126.7 38.9 -60.9 -49.8 -7.9 -35.8 2.5 87 90 A E H > S+ 0 0 90 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.895 112.5 58.7 -65.6 -39.2 -4.8 -37.8 3.5 88 91 A G H > S+ 0 0 17 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.923 106.4 47.8 -55.3 -45.6 -5.0 -39.5 0.1 89 92 A M H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 5,-0.4 0.919 113.2 46.3 -62.0 -46.4 -4.8 -36.2 -1.7 90 93 A V H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.929 115.6 46.9 -61.2 -46.0 -1.8 -35.0 0.4 91 94 A E H X S+ 0 0 97 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.910 111.6 55.3 -60.5 -42.9 -0.2 -38.4 -0.1 92 95 A A H X S+ 0 0 9 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.925 112.5 35.2 -59.0 -56.0 -1.1 -38.1 -3.8 93 96 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.796 112.0 63.3 -74.7 -24.6 0.6 -34.8 -4.8 94 97 A M H X S+ 0 0 24 -4,-1.7 4,-2.2 -5,-0.4 -1,-0.2 0.931 106.7 43.4 -61.4 -44.3 3.4 -35.5 -2.4 95 98 A K H X S+ 0 0 101 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.910 111.8 55.4 -64.7 -41.6 4.3 -38.5 -4.5 96 99 A D H X S+ 0 0 8 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.903 107.8 48.4 -57.6 -43.8 3.8 -36.4 -7.7 97 100 A Y H >X S+ 0 0 2 -4,-2.9 4,-1.4 1,-0.2 3,-0.7 0.945 112.4 48.3 -62.9 -47.2 6.2 -33.8 -6.4 98 101 A E H 3X S+ 0 0 60 -4,-2.2 4,-1.3 1,-0.3 3,-0.3 0.899 108.5 52.7 -61.3 -41.8 8.8 -36.5 -5.6 99 102 A M H 3X S+ 0 0 109 -4,-2.9 4,-1.0 1,-0.2 -1,-0.3 0.724 109.5 52.6 -66.9 -18.0 8.5 -38.2 -9.0 100 103 A M H S+ 0 0 0 -4,-1.6 5,-1.8 -5,-0.3 -1,-0.2 0.945 112.0 42.9 -62.6 -46.7 20.5 -28.6 -19.6 112 115 A Q H ><5S+ 0 0 101 -4,-2.7 3,-1.6 3,-0.2 -2,-0.2 0.891 112.7 53.1 -65.0 -40.5 24.0 -28.4 -18.3 113 116 A N H 3<5S+ 0 0 116 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.807 107.2 51.6 -65.5 -30.1 25.2 -30.8 -21.0 114 117 A S T 3<5S- 0 0 61 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.163 123.8-108.0 -91.9 19.2 23.6 -28.6 -23.7 115 118 A D T < 5S+ 0 0 146 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.955 83.5 123.0 52.9 58.5 25.5 -25.7 -22.2 116 119 A D >< + 0 0 21 -5,-1.8 4,-1.6 -8,-0.2 3,-0.1 -0.483 17.2 155.6-145.3 68.3 22.4 -24.1 -20.6 117 120 A E H > S+ 0 0 130 1,-0.2 4,-3.1 2,-0.2 5,-0.1 0.675 71.8 73.0 -71.1 -12.1 22.9 -23.6 -16.9 118 121 A M H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.993 102.0 38.0 -60.8 -61.5 20.3 -20.8 -17.2 119 122 A T H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.873 114.7 57.9 -56.6 -36.4 17.5 -23.3 -17.7 120 123 A S H X S+ 0 0 11 -4,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.931 104.7 50.0 -59.2 -46.1 19.2 -25.5 -15.1 121 124 A D H X S+ 0 0 109 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.911 109.1 51.9 -59.1 -43.9 19.0 -22.7 -12.6 122 125 A L H X S+ 0 0 40 -4,-2.1 4,-1.4 1,-0.2 3,-0.2 0.950 113.3 44.3 -57.0 -50.2 15.3 -22.3 -13.3 123 126 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.876 106.7 60.4 -62.2 -39.5 14.8 -25.9 -12.8 124 127 A L H X S+ 0 0 78 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.897 102.0 54.5 -55.4 -41.4 17.0 -25.9 -9.7 125 128 A G H X S+ 0 0 39 -4,-2.0 4,-2.6 -3,-0.2 -1,-0.2 0.938 106.9 47.9 -58.4 -50.9 14.6 -23.4 -8.1 126 129 A I H X S+ 0 0 3 -4,-1.4 4,-3.1 1,-0.2 5,-0.2 0.889 109.7 55.9 -57.1 -39.9 11.5 -25.6 -8.6 127 130 A Y H X S+ 0 0 35 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.943 108.1 45.9 -57.0 -53.1 13.5 -28.5 -7.1 128 131 A T H X S+ 0 0 81 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.931 113.1 52.2 -56.9 -46.3 14.2 -26.5 -4.0 129 132 A E H X S+ 0 0 51 -4,-2.6 4,-1.9 1,-0.2 3,-0.4 0.949 111.9 43.4 -55.7 -56.3 10.6 -25.5 -3.8 130 133 A L H X S+ 0 0 0 -4,-3.1 4,-3.3 1,-0.2 5,-0.2 0.892 107.1 60.3 -60.5 -41.7 9.1 -29.0 -4.1 131 134 A E H X S+ 0 0 98 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.869 106.6 47.5 -54.7 -39.2 11.6 -30.5 -1.7 132 135 A K H X S+ 0 0 136 -4,-1.6 4,-2.3 -3,-0.4 5,-0.2 0.953 112.4 49.0 -67.5 -49.3 10.4 -28.2 1.1 133 136 A H H X S+ 0 0 10 -4,-1.9 4,-3.9 1,-0.2 5,-0.3 0.949 107.0 55.4 -53.9 -51.8 6.8 -29.0 0.3 134 137 A A H X S+ 0 0 5 -4,-3.3 4,-3.1 1,-0.2 -1,-0.2 0.884 108.2 49.9 -49.0 -43.6 7.5 -32.7 0.3 135 138 A W H X S+ 0 0 146 -4,-1.5 4,-3.4 -5,-0.2 -1,-0.2 0.948 114.7 41.8 -62.1 -50.9 8.9 -32.4 3.8 136 139 A M H X S+ 0 0 57 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.918 116.8 48.2 -64.3 -44.3 5.9 -30.5 5.1 137 140 A L H X S+ 0 0 11 -4,-3.9 4,-1.4 -5,-0.2 3,-0.3 0.964 115.0 46.6 -59.5 -49.6 3.4 -32.7 3.3 138 141 A R H >X S+ 0 0 83 -4,-3.1 4,-1.5 -5,-0.3 3,-0.7 0.924 110.5 50.8 -57.3 -49.6 5.3 -35.7 4.6 139 142 A A H 3< S+ 0 0 57 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.786 104.4 60.2 -59.9 -27.9 5.5 -34.4 8.2 140 143 A F H 3< S+ 0 0 79 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.887 118.3 29.3 -65.6 -39.6 1.7 -33.8 7.9 141 144 A L H << 0 0 48 -4,-1.4 -2,-0.2 -3,-0.7 -3,-0.1 0.951 360.0 360.0 -82.4 -81.2 1.3 -37.5 7.3 142 145 A N < 0 0 171 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.749 360.0 360.0 -33.3 360.0 4.1 -39.5 9.1 143 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 144 4 B Q > 0 0 151 0, 0.0 4,-0.7 0, 0.0 110,-0.1 0.000 360.0 360.0 360.0 170.9 -29.8 -29.7 -14.1 145 5 B V H > + 0 0 3 2,-0.2 4,-2.6 1,-0.2 3,-0.5 0.829 360.0 67.8 -78.0 -35.5 -28.2 -26.4 -13.3 146 6 B I H > S+ 0 0 29 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.827 98.0 53.2 -53.0 -32.4 -25.1 -28.3 -12.2 147 7 B E H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.875 106.4 50.0 -74.0 -36.5 -24.7 -29.3 -15.9 148 8 B V H X S+ 0 0 34 -4,-0.7 4,-1.7 -3,-0.5 3,-0.5 0.977 115.6 44.5 -62.5 -52.1 -24.8 -25.7 -17.0 149 9 B L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.904 110.2 53.7 -57.3 -47.5 -22.2 -24.8 -14.4 150 10 B N H X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.803 107.5 51.1 -62.1 -28.2 -20.0 -27.8 -15.2 151 11 B K H X S+ 0 0 32 -4,-1.6 4,-3.2 -3,-0.5 -1,-0.3 0.854 108.4 53.0 -75.1 -33.2 -20.0 -26.8 -18.9 152 12 B Q H X S+ 0 0 4 -4,-1.7 4,-3.5 2,-0.2 5,-0.3 0.952 107.9 50.9 -61.9 -48.3 -18.9 -23.3 -17.7 153 13 B V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.945 113.2 44.8 -53.5 -52.9 -16.1 -24.9 -15.7 154 14 B A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.940 114.5 48.4 -58.1 -50.6 -15.0 -26.9 -18.8 155 15 B D H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 3,-0.3 0.962 113.5 46.1 -56.1 -53.9 -15.3 -23.9 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-4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.880 110.7 48.5 -60.3 -41.8 -30.2 -8.5 29.9 502 76 D E H 3< S+ 0 0 133 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.557 124.1 30.7 -79.9 -3.9 -30.6 -9.9 33.4 503 77 D I H << S+ 0 0 46 -4,-1.1 -2,-0.2 -3,-1.0 -3,-0.2 0.687 92.3 96.6-121.9 -31.1 -27.2 -8.6 34.5 504 78 D S < - 0 0 21 -4,-3.5 -66,-0.1 -5,-0.3 -67,-0.0 -0.280 53.1-157.9 -61.1 147.0 -26.4 -5.4 32.6 505 79 D S + 0 0 74 -68,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.343 61.1 107.6-105.9 3.5 -27.1 -2.1 34.4 506 80 D I S S- 0 0 17 1,-0.0 2,-0.7 22,-0.0 -2,-0.1 -0.673 70.1-132.2 -83.3 130.5 -27.3 -0.2 31.1 507 81 D Q - 0 0 161 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.760 25.3-126.2 -87.9 115.8 -30.8 0.9 30.2 508 82 D E - 0 0 40 -2,-0.7 -155,-0.1 1,-0.1 -1,-0.1 0.095 41.1 -71.4 -50.3 168.7 -31.5 0.0 26.5 509 83 D A - 0 0 11 -157,-0.4 -1,-0.1 1,-0.1 -157,-0.0 -0.087 31.8-160.9 -60.5 163.1 -32.8 2.7 24.1 510 84 D A - 0 0 76 -3,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.342 36.0-129.3-126.2 -1.6 -36.3 4.0 24.3 511 85 D Y S S+ 0 0 73 1,-0.1 3,-0.1 -159,-0.1 -1,-0.1 0.141 85.3 73.0 67.8 167.5 -36.5 5.4 20.8 512 86 D G + 0 0 85 1,-0.2 -1,-0.1 -57,-0.0 -3,-0.0 0.331 70.0 149.3 75.8 -11.8 -37.7 9.0 20.2 513 87 D E - 0 0 55 1,-0.1 -1,-0.2 4,-0.1 2,-0.2 -0.101 44.7-121.9 -54.3 156.5 -34.4 10.2 21.5 514 88 D T > - 0 0 82 -3,-0.1 4,-3.2 1,-0.1 5,-0.2 -0.481 22.8-110.0 -93.3 165.7 -32.9 13.4 20.2 515 89 D A H > S+ 0 0 5 2,-0.2 4,-2.0 -58,-0.2 5,-0.2 0.963 127.8 39.4 -60.9 -49.2 -29.4 13.7 18.6 516 90 D E H > S+ 0 0 91 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.891 112.2 58.3 -66.0 -39.8 -28.4 15.6 21.7 517 91 D G H > S+ 0 0 19 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.930 106.8 47.6 -55.0 -47.2 -30.4 13.1 23.8 518 92 D M H X S+ 0 0 2 -4,-3.2 4,-2.5 2,-0.2 5,-0.4 0.931 113.5 46.2 -60.6 -47.7 -28.4 10.2 22.4 519 93 D V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.926 115.7 46.9 -60.6 -44.4 -25.0 12.0 23.0 520 94 D E H X S+ 0 0 98 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.918 111.5 55.4 -61.8 -42.7 -26.2 12.9 26.5 521 95 D A H X S+ 0 0 14 -4,-3.2 4,-1.8 -5,-0.3 -2,-0.2 0.918 112.4 35.3 -58.8 -56.3 -27.4 9.3 27.0 522 96 D I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.796 111.7 63.7 -74.2 -24.8 -24.3 7.3 26.3 523 97 D M H X S+ 0 0 22 -4,-1.7 4,-2.1 -5,-0.4 -1,-0.2 0.941 106.5 43.4 -60.9 -45.1 -22.2 10.0 27.9 524 98 D K H X S+ 0 0 103 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.904 111.1 56.0 -64.6 -40.6 -24.0 9.3 31.2 525 99 D D H X S+ 0 0 8 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.914 107.5 48.5 -57.9 -43.8 -23.6 5.6 30.5 526 100 D Y H >X S+ 0 0 1 -4,-2.8 4,-1.5 1,-0.2 3,-0.5 0.933 112.3 48.2 -63.0 -46.0 -19.9 6.0 30.2 527 101 D E H 3X S+ 0 0 58 -4,-2.1 4,-1.3 1,-0.3 3,-0.3 0.902 108.5 52.8 -62.4 -42.0 -19.6 8.0 33.4 528 102 D M H 3X S+ 0 0 107 -4,-2.9 4,-1.0 1,-0.2 -1,-0.3 0.733 110.0 51.9 -66.6 -18.6 -21.7 5.5 35.3 529 103 D M H S+ 0 0 0 -4,-1.6 5,-1.8 -5,-0.3 -1,-0.2 0.948 111.7 42.4 -61.8 -48.9 -8.9 -6.8 41.1 541 115 D Q H ><5S+ 0 0 104 -4,-2.9 3,-1.6 3,-0.2 -2,-0.2 0.884 112.8 53.7 -63.9 -40.7 -6.0 -5.4 43.0 542 116 D N H 3<5S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.797 107.1 51.3 -65.7 -29.7 -7.4 -6.9 46.3 543 117 D S T 3<5S- 0 0 60 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.172 123.6-108.2 -92.5 18.9 -7.6 -10.3 44.6 544 118 D D T < 5S+ 0 0 146 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.957 83.4 122.8 54.0 57.8 -3.9 -9.9 43.6 545 119 D D >< + 0 0 20 -5,-1.8 4,-1.6 -8,-0.2 3,-0.1 -0.473 17.3 155.8-144.8 67.7 -4.7 -9.4 39.9 546 120 D E H > S+ 0 0 129 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.684 71.9 73.1 -70.5 -11.9 -3.3 -6.0 38.7 547 121 D M H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.996 101.9 38.5 -60.4 -62.2 -3.4 -7.6 35.2 548 122 D T H > S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.881 114.4 57.5 -55.3 -37.4 -7.1 -7.4 35.0 549 123 D S H X S+ 0 0 12 -4,-1.6 4,-3.0 1,-0.2 -1,-0.3 0.915 104.6 50.7 -60.1 -42.7 -6.8 -4.0 36.7 550 124 D D H X S+ 0 0 109 -4,-3.0 4,-1.9 -3,-0.3 -1,-0.2 0.906 108.7 51.7 -61.4 -42.4 -4.6 -2.8 34.0 551 125 D L H X S+ 0 0 40 -4,-2.1 4,-1.4 1,-0.2 3,-0.3 0.958 113.5 44.3 -58.0 -50.7 -7.1 -4.0 31.4 552 126 D L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.874 106.6 60.4 -61.6 -40.0 -9.8 -2.1 33.2 553 127 D L H X S+ 0 0 80 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.894 102.2 54.3 -55.7 -40.1 -7.6 1.0 33.6 554 128 D G H X S+ 0 0 40 -4,-1.9 4,-2.7 -3,-0.3 -1,-0.2 0.936 107.0 47.9 -59.9 -49.5 -7.3 1.2 29.9 555 129 D I H X S+ 0 0 4 -4,-1.4 4,-3.1 1,-0.2 5,-0.3 0.899 109.8 55.8 -57.5 -41.5 -11.0 1.3 29.3 556 130 D Y H X S+ 0 0 34 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.939 108.5 45.7 -56.0 -52.3 -11.3 3.9 32.0 557 131 D T H X S+ 0 0 83 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.929 113.0 52.3 -57.9 -45.5 -8.8 6.2 30.2 558 132 D E H X S+ 0 0 52 -4,-2.7 4,-1.9 1,-0.2 3,-0.4 0.947 112.1 43.0 -56.6 -55.3 -10.7 5.6 27.0 559 133 D L H X S+ 0 0 0 -4,-3.1 4,-3.4 1,-0.2 5,-0.2 0.893 107.4 60.5 -61.3 -41.1 -14.1 6.5 28.3 560 134 D E H X S+ 0 0 100 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.877 106.5 47.2 -54.8 -40.1 -12.8 9.6 30.2 561 135 D K H X S+ 0 0 134 -4,-1.6 4,-2.2 -3,-0.4 -1,-0.2 0.947 112.8 48.8 -66.8 -48.0 -11.6 11.1 27.0 562 136 D H H X S+ 0 0 7 -4,-1.9 4,-3.8 1,-0.2 5,-0.4 0.947 107.0 55.6 -55.3 -51.8 -14.9 10.3 25.2 563 137 D A H X S+ 0 0 3 -4,-3.4 4,-3.1 1,-0.2 -1,-0.2 0.888 108.2 49.6 -48.7 -44.3 -16.9 11.8 28.1 564 138 D W H X S+ 0 0 145 -4,-1.6 4,-3.4 -5,-0.2 -1,-0.2 0.947 114.6 42.3 -61.6 -50.5 -14.9 15.1 27.7 565 139 D M H X S+ 0 0 58 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.914 116.7 47.7 -65.3 -43.0 -15.5 15.3 24.0 566 140 D L H X S+ 0 0 12 -4,-3.8 4,-1.4 -5,-0.2 3,-0.3 0.961 115.1 47.0 -61.1 -48.3 -19.1 14.2 24.2 567 141 D R H >X S+ 0 0 81 -4,-3.1 4,-1.5 -5,-0.4 3,-0.7 0.930 110.3 50.7 -56.9 -50.8 -19.6 16.8 27.0 568 142 D A H 3< S+ 0 0 55 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.784 104.6 60.1 -58.9 -27.7 -17.8 19.6 25.1 569 143 D F H 3< S+ 0 0 79 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.892 118.0 29.7 -66.4 -39.5 -20.1 18.8 22.2 570 144 D L H << 0 0 47 -4,-1.4 -2,-0.2 -3,-0.7 -3,-0.1 0.955 360.0 360.0 -81.6 -81.1 -23.0 19.6 24.5 571 145 D N < 0 0 176 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.742 360.0 360.0 -34.3 360.0 -22.0 22.2 27.1