==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REPRESSOR 03-MAY-02 1LNW . COMPND 2 MOLECULE: MULTIDRUG RESISTANCE OPERON REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.C.LIM,K.POOLE,N.C.J.STRYNADKA . 1102 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 823 74.7 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 . 54 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 633 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.3 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 1 3 4 0 0 2 7 9 2 2 2 0 0 0 0 0 16 0 0 0 0 0 0 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 . 3 2 2 2 4 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 4 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 2 A N 0 0 169 0, 0.0 255,-0.1 0, 0.0 258,-0.1 0.000 360.0 360.0 360.0 87.9 12.4 7.5 7.6 2 3 A Y - 0 0 115 254,-2.4 256,-0.1 256,-0.3 257,-0.0 -0.716 360.0 -74.9-116.1 166.8 14.4 6.4 4.5 3 4 A P - 0 0 106 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.315 54.8-114.0 -61.0 147.8 18.0 7.1 3.4 4 5 A V - 0 0 39 -3,-0.1 252,-0.1 1,-0.0 248,-0.1 -0.748 19.0-124.2 -93.9 125.9 18.4 10.6 2.0 5 6 A N > - 0 0 40 -2,-0.5 3,-1.2 1,-0.1 4,-0.4 -0.456 17.2-138.0 -63.5 127.4 19.3 11.2 -1.6 6 7 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.691 97.0 62.7 -62.5 -22.6 22.5 13.3 -1.8 7 8 A D T 3> S+ 0 0 95 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.670 86.5 76.2 -79.2 -17.5 21.2 15.5 -4.6 8 9 A L H <> S+ 0 0 0 -3,-1.2 4,-3.0 2,-0.2 5,-0.3 0.925 91.3 45.7 -61.5 -55.1 18.2 17.0 -2.6 9 10 A X H > S+ 0 0 41 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.962 117.9 44.1 -57.2 -51.6 19.8 19.6 -0.4 10 11 A P H > S+ 0 0 71 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.898 115.6 49.0 -60.2 -40.2 22.0 21.0 -3.2 11 12 A A H X S+ 0 0 11 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.920 112.3 47.1 -66.8 -41.6 19.0 21.0 -5.6 12 13 A L H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 3,-0.2 0.931 113.2 48.9 -64.6 -46.8 16.7 22.7 -3.1 13 14 A X H X S+ 0 0 61 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.835 106.5 56.3 -63.7 -32.3 19.3 25.3 -2.3 14 15 A A H X S+ 0 0 41 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.867 108.5 48.0 -68.5 -33.6 19.9 26.0 -5.9 15 16 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 -3,-0.2 -2,-0.2 0.947 110.6 50.3 -70.5 -46.4 16.2 26.7 -6.4 16 17 A F H X S+ 0 0 10 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.909 114.2 45.7 -55.9 -44.0 16.1 29.0 -3.4 17 18 A Q H X S+ 0 0 47 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.899 112.2 50.3 -66.2 -42.2 19.2 30.9 -4.7 18 19 A H H X S+ 0 0 37 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.887 111.1 50.3 -64.4 -39.5 17.7 31.1 -8.3 19 20 A V H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.948 112.4 43.7 -66.5 -49.2 14.5 32.5 -6.9 20 21 A R H X S+ 0 0 14 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.865 114.2 52.5 -67.1 -31.1 16.0 35.3 -4.8 21 22 A T H X S+ 0 0 60 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.944 112.5 42.7 -66.0 -51.9 18.4 36.2 -7.6 22 23 A R H X S+ 0 0 79 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.878 116.8 48.2 -64.3 -39.9 15.7 36.6 -10.2 23 24 A I H X S+ 0 0 3 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.957 112.7 47.3 -65.5 -49.4 13.4 38.4 -7.8 24 25 A Q H X S+ 0 0 13 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.910 109.4 54.8 -58.9 -43.0 16.1 40.8 -6.6 25 26 A S H X S+ 0 0 61 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.880 111.2 43.6 -59.0 -40.3 17.1 41.5 -10.2 26 27 A E H X S+ 0 0 33 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.854 113.5 51.7 -76.4 -30.7 13.6 42.5 -11.2 27 28 A L H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-0.4 0.908 112.5 46.0 -68.6 -41.9 13.1 44.6 -8.1 28 29 A D H ><5S+ 0 0 84 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.841 106.7 57.4 -69.8 -35.1 16.4 46.4 -8.7 29 30 A C H 3<5S+ 0 0 92 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.732 109.3 45.3 -70.6 -19.8 15.6 47.1 -12.3 30 31 A Q T 3<5S- 0 0 112 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.255 113.2-128.6 -99.8 6.6 12.4 48.8 -11.3 31 32 A R T < 5 + 0 0 221 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.763 60.7 142.4 51.0 40.1 14.5 50.6 -8.7 32 33 A L < - 0 0 26 -5,-2.1 -4,-0.1 2,-0.1 -1,-0.1 0.701 49.8-143.5 -80.8 -17.6 12.3 49.8 -5.7 33 34 A D + 0 0 111 -6,-0.4 2,-0.3 1,-0.2 -5,-0.1 0.976 55.3 126.2 51.5 59.7 15.2 49.3 -3.3 34 35 A L - 0 0 2 -10,-0.1 -1,-0.2 73,-0.0 -2,-0.1 -0.976 48.6-148.1-143.4 152.4 13.4 46.4 -1.5 35 36 A T >> - 0 0 19 -2,-0.3 4,-2.0 -3,-0.1 3,-0.6 -0.758 40.1 -96.7-115.1 164.9 14.3 42.8 -0.7 36 37 A P H 3> S+ 0 0 6 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.874 123.9 55.3 -51.7 -41.6 11.8 40.0 -0.4 37 38 A P H 3> S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.908 107.6 50.4 -61.4 -36.0 11.5 40.3 3.4 38 39 A D H <> S+ 0 0 4 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.943 111.5 46.8 -63.7 -48.0 10.5 44.0 3.0 39 40 A V H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.911 111.5 53.3 -58.5 -42.5 7.8 43.2 0.4 40 41 A H H X S+ 0 0 22 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.945 109.4 48.2 -59.1 -49.4 6.7 40.4 2.7 41 42 A V H X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.902 110.8 48.9 -60.5 -43.9 6.4 42.9 5.6 42 43 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.877 109.2 54.7 -64.3 -36.6 4.4 45.5 3.7 43 44 A K H X S+ 0 0 30 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.886 107.7 48.4 -63.8 -41.4 2.0 42.9 2.4 44 45 A L H < S+ 0 0 0 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.830 111.5 49.5 -69.9 -33.5 1.2 41.7 5.9 45 46 A I H < S+ 0 0 1 -4,-1.6 6,-0.4 2,-0.2 3,-0.4 0.872 112.1 47.5 -73.3 -37.7 0.6 45.2 7.2 46 47 A D H < S+ 0 0 34 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.890 110.4 51.4 -70.1 -40.5 -1.7 46.1 4.3 47 48 A E S < S+ 0 0 98 -4,-1.9 -1,-0.2 1,-0.3 2,-0.2 0.569 116.6 40.9 -74.8 -10.4 -3.8 43.0 4.5 48 49 A Q S > S- 0 0 43 -4,-0.5 3,-1.9 -3,-0.4 -1,-0.3 -0.626 85.7-149.7-139.0 76.4 -4.4 43.4 8.2 49 50 A R T 3 S+ 0 0 176 -3,-0.4 46,-0.1 1,-0.3 -3,-0.1 -0.184 85.3 20.8 -49.5 129.3 -5.1 47.1 8.9 50 51 A G T 3 S+ 0 0 15 44,-1.1 -1,-0.3 -5,-0.2 45,-0.2 0.580 88.2 179.8 85.6 10.9 -3.9 48.0 12.4 51 52 A L < - 0 0 12 -3,-1.9 43,-3.0 43,-0.5 2,-0.3 -0.069 23.8-122.5 -46.4 143.5 -1.5 45.0 12.5 52 53 A N B > -A 93 0A 36 41,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.661 8.0-128.8 -93.6 145.5 0.4 44.8 15.8 53 54 A L H > S+ 0 0 9 39,-0.9 4,-2.0 -2,-0.3 5,-0.2 0.873 112.9 51.0 -58.4 -36.4 4.3 44.6 16.0 54 55 A Q H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 111.2 44.9 -67.2 -46.8 3.9 41.5 18.1 55 56 A D H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.806 109.5 58.6 -67.4 -29.8 1.6 39.8 15.7 56 57 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.970 108.7 42.9 -63.7 -53.8 3.8 40.8 12.8 57 58 A G H <>S+ 0 0 4 -4,-2.0 5,-2.1 1,-0.2 4,-0.5 0.880 114.0 51.8 -60.5 -39.9 6.8 39.0 14.3 58 59 A R H ><5S+ 0 0 40 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.957 107.4 50.8 -62.7 -51.3 4.8 36.0 15.2 59 60 A Q H 3<5S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 115.9 44.6 -58.0 -27.1 3.3 35.5 11.8 60 61 A X T 3<5S- 0 0 11 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.418 107.1-122.6 -98.5 0.8 6.8 35.7 10.3 61 62 A C T < 5 + 0 0 57 -3,-1.7 2,-0.3 -4,-0.5 -3,-0.2 0.967 68.3 130.2 55.4 55.9 8.6 33.4 12.8 62 63 A R < - 0 0 22 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.2 -0.999 64.8-104.4-141.5 138.6 11.0 36.2 13.8 63 64 A D >> - 0 0 28 -2,-0.3 4,-1.9 1,-0.1 3,-0.6 -0.235 33.6-119.1 -56.9 148.7 12.1 37.6 17.2 64 65 A K H 3> S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.832 113.1 63.8 -60.7 -33.1 10.6 41.0 18.0 65 66 A A H 3> S+ 0 0 71 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.906 106.3 43.3 -58.6 -42.1 14.0 42.5 18.1 66 67 A L H <> S+ 0 0 28 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.942 114.2 49.1 -68.3 -48.6 14.5 41.7 14.4 67 68 A I H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.852 107.9 55.6 -59.5 -38.0 11.0 42.8 13.4 68 69 A T H X S+ 0 0 12 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.900 107.8 48.2 -64.5 -40.6 11.5 46.1 15.3 69 70 A R H X S+ 0 0 28 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.914 111.9 48.9 -66.5 -41.4 14.7 46.9 13.4 70 71 A K H X S+ 0 0 22 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.918 113.0 47.4 -64.1 -41.7 13.1 46.1 10.1 71 72 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.917 109.9 53.5 -64.3 -40.1 10.1 48.3 11.0 72 73 A R H X S+ 0 0 18 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.906 109.7 49.5 -59.1 -41.3 12.5 51.0 12.1 73 74 A E H X S+ 0 0 81 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.941 113.6 43.5 -63.4 -49.9 14.1 50.7 8.7 74 75 A L H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 6,-1.0 0.811 112.6 52.9 -68.1 -30.8 10.8 51.0 6.8 75 76 A E H ><5S+ 0 0 40 -4,-2.9 3,-2.2 1,-0.2 -1,-0.2 0.925 104.9 56.1 -68.6 -41.5 9.6 53.8 9.0 76 77 A G H 3<5S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.655 107.5 49.4 -63.0 -15.6 12.8 55.6 8.3 77 78 A R T 3<5S- 0 0 66 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.219 115.7-116.4-106.9 11.4 11.9 55.4 4.6 78 79 A N T < 5S+ 0 0 91 -3,-2.2 22,-0.4 2,-0.2 21,-0.3 0.828 86.7 112.9 57.1 38.0 8.4 56.7 5.1 79 80 A L S - 0 0 19 -18,-1.4 4,-2.3 -2,-0.4 5,-0.2 -0.257 37.0 -97.3 -73.3 175.3 1.8 55.4 4.4 98 99 A D H > S+ 0 0 146 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.893 128.8 49.2 -64.1 -36.8 0.6 56.3 0.9 99 100 A E H > S+ 0 0 104 -21,-0.3 4,-2.9 2,-0.2 5,-0.2 0.921 109.9 51.2 -66.8 -43.8 4.1 55.8 -0.4 100 101 A G H > S+ 0 0 0 -22,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.887 110.5 48.0 -61.0 -40.8 4.4 52.4 1.3 101 102 A L H X S+ 0 0 48 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.915 112.7 49.6 -66.1 -42.9 1.1 51.2 -0.1 102 103 A A H X S+ 0 0 41 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.945 112.5 45.4 -62.2 -49.7 2.1 52.3 -3.6 103 104 A I H X S+ 0 0 24 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.846 112.1 54.0 -65.2 -30.8 5.5 50.7 -3.5 104 105 A H H X S+ 0 0 12 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.909 107.2 50.2 -67.0 -43.3 3.9 47.5 -2.1 105 106 A Q H X S+ 0 0 108 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.858 114.2 44.8 -65.3 -35.0 1.4 47.3 -5.0 106 107 A H H X S+ 0 0 120 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.905 112.4 49.8 -76.3 -40.8 4.2 47.7 -7.5 107 108 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.942 110.7 51.3 -61.6 -45.8 6.6 45.2 -5.8 108 109 A E H X S+ 0 0 55 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.896 105.8 55.4 -58.2 -41.3 3.7 42.7 -5.7 109 110 A A H X S+ 0 0 59 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.928 110.5 44.1 -59.3 -44.8 3.0 43.1 -9.4 110 111 A I H X S+ 0 0 11 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.833 110.3 58.8 -70.5 -27.5 6.6 42.3 -10.2 111 112 A X H X S+ 0 0 18 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.927 106.1 45.0 -63.4 -49.4 6.5 39.4 -7.8 112 113 A S H X S+ 0 0 66 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.788 112.6 53.9 -68.3 -26.3 3.6 37.6 -9.4 113 114 A R H X S+ 0 0 111 -4,-1.3 4,-2.2 -5,-0.3 -2,-0.2 0.934 110.2 45.2 -71.8 -46.1 5.3 38.2 -12.8 114 115 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.869 111.2 54.6 -64.2 -37.2 8.6 36.6 -11.6 115 116 A H H X S+ 0 0 43 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.922 107.8 48.9 -62.0 -45.9 6.6 33.7 -10.1 116 117 A D H X S+ 0 0 78 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.935 112.8 48.1 -59.7 -46.8 4.9 33.0 -13.4 117 118 A E H < S+ 0 0 69 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.869 111.6 50.5 -61.1 -40.0 8.2 33.1 -15.2 118 119 A L H < S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.870 120.2 30.7 -70.4 -37.1 9.9 30.8 -12.7 119 120 A F H >< S+ 0 0 2 -4,-2.0 3,-1.1 -5,-0.2 -1,-0.2 0.302 90.3 97.4-107.9 10.3 7.3 28.0 -12.6 120 121 A A T 3< S+ 0 0 43 -4,-0.8 -1,-0.1 -3,-0.3 -2,-0.1 0.910 75.3 63.2 -63.6 -45.2 6.0 28.2 -16.2 121 122 A P T 3 S+ 0 0 59 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.635 92.6 84.3 -56.5 -12.1 8.2 25.4 -17.5 122 123 A L S < S- 0 0 0 -3,-1.1 -3,-0.0 21,-0.1 147,-0.0 -0.810 80.8-128.6 -98.9 131.3 6.3 23.1 -15.1 123 124 A T > - 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0 0 17 -5,-2.1 -4,-0.1 2,-0.1 -1,-0.1 0.510 52.8-137.1 -89.2 -5.9 28.4 28.5 17.7 174 34 B D + 0 0 90 -6,-0.4 2,-0.3 1,-0.2 -5,-0.1 0.920 59.5 123.7 48.5 54.3 27.0 32.0 18.1 175 35 B L - 0 0 3 -10,-0.1 -1,-0.2 4,-0.0 -2,-0.1 -0.939 52.8-138.2-137.5 158.3 26.0 32.3 14.4 176 36 B T > - 0 0 43 -2,-0.3 4,-1.8 -3,-0.1 3,-0.4 -0.737 36.1-101.8-111.4 163.2 22.8 33.1 12.6 177 37 B P H > S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.890 122.9 54.9 -54.2 -40.6 21.6 31.3 9.4 178 38 B P H > S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.908 105.2 53.1 -60.8 -38.9 22.7 34.2 7.2 179 39 B D H > S+ 0 0 3 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.927 107.7 51.0 -60.4 -44.1 26.2 34.0 8.7 180 40 B V H X S+ 0 0 5 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.939 109.8 50.7 -57.2 -47.0 26.4 30.3 7.8 181 41 B H H X S+ 0 0 26 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.926 110.8 48.7 -57.6 -46.7 25.4 31.2 4.3 182 42 B V H X S+ 0 0 5 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.917 111.1 48.9 -61.7 -45.1 28.1 33.9 4.1 183 43 B L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.880 110.4 52.7 -62.3 -37.5 30.8 31.5 5.3 184 44 B K H X S+ 0 0 26 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.892 108.6 48.7 -65.5 -41.9 29.7 28.9 2.8 185 45 B L H X S+ 0 0 16 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.878 112.1 48.6 -67.5 -36.7 29.9 31.2 -0.1 186 46 B I H < S+ 0 0 3 -4,-1.9 6,-0.3 -5,-0.2 3,-0.2 0.916 113.9 47.0 -69.3 -42.4 33.3 32.4 0.8 187 47 B D H < S+ 0 0 46 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.926 115.4 44.0 -65.2 -45.8 34.6 28.9 1.3 188 48 B E H < S+ 0 0 105 -4,-2.6 2,-0.2 1,-0.2 -1,-0.2 0.599 116.8 45.6 -78.4 -11.9 33.2 27.5 -2.0 189 49 B Q S >< S- 0 0 65 -4,-1.1 3,-1.7 -3,-0.2 -1,-0.2 -0.627 86.2-154.6-129.7 71.7 34.3 30.5 -4.1 190 50 B R T 3 S+ 0 0 199 -3,-0.4 41,-0.1 1,-0.3 -3,-0.1 -0.141 77.7 22.8 -50.1 135.6 37.9 31.1 -3.0 191 51 B G T 3 S+ 0 0 12 39,-0.8 -1,-0.3 1,-0.2 40,-0.1 0.508 84.1 165.8 84.5 5.3 39.0 34.6 -3.6 192 52 B L < - 0 0 9 -3,-1.7 38,-3.6 38,-0.4 -1,-0.2 -0.224 24.1-144.2 -54.6 137.4 35.5 36.0 -3.6 193 53 B N B > -C 229 0B 18 36,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.621 26.0 -99.7-103.4 167.5 35.3 39.9 -3.2 194 54 B L H > S+ 0 0 37 34,-1.0 4,-2.5 1,-0.2 5,-0.1 0.860 119.8 52.4 -51.1 -43.5 32.8 42.1 -1.4 195 55 B Q H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 110.0 46.4 -64.5 -39.1 30.9 42.9 -4.5 196 56 B D H > S+ 0 0 43 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.921 112.8 49.7 -69.6 -43.4 30.4 39.3 -5.6 197 57 B L H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.934 110.4 51.5 -58.9 -45.4 29.3 38.2 -2.1 198 58 B G H X>S+ 0 0 6 -4,-2.5 5,-2.0 -5,-0.3 4,-0.7 0.918 109.9 49.7 -57.0 -44.5 26.9 41.2 -2.1 199 59 B R H <5S+ 0 0 158 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.902 112.8 45.4 -62.0 -44.1 25.5 40.1 -5.5 200 60 B Q H <5S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.825 113.4 48.7 -71.0 -32.2 25.0 36.4 -4.4 201 61 B X H <5S- 0 0 8 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.598 105.0-134.0 -80.0 -11.8 23.4 37.4 -1.1 202 62 B C T <5 + 0 0 14 -4,-0.7 2,-0.3 -3,-0.3 -3,-0.2 0.872 67.0 119.5 60.3 35.0 21.2 39.8 -3.1 203 63 B R < - 0 0 25 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.933 69.5 -93.4-130.1 153.8 22.0 42.5 -0.5 204 64 B D >> - 0 0 83 -2,-0.3 4,-2.2 -3,-0.1 3,-0.5 -0.270 32.3-113.2 -70.3 154.4 23.6 45.9 -0.8 205 65 B K H 3> S+ 0 0 148 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.842 113.3 59.9 -51.9 -41.4 27.4 46.5 -0.3 206 66 B A H 3> S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 109.7 40.8 -55.6 -48.0 26.7 48.6 2.8 207 67 B L H <> S+ 0 0 34 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.911 117.5 48.6 -67.8 -41.8 25.0 45.8 4.6 208 68 B I H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.871 107.1 56.2 -66.8 -37.9 27.5 43.2 3.4 209 69 B T H X S+ 0 0 40 -4,-3.4 4,-2.3 -5,-0.2 -1,-0.2 0.928 108.4 47.7 -60.0 -45.5 30.4 45.4 4.4 210 70 B R H X S+ 0 0 40 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.902 110.4 51.5 -63.4 -42.0 29.1 45.5 8.0 211 71 B K H X S+ 0 0 6 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.917 111.7 46.6 -62.5 -43.2 28.6 41.8 8.1 212 72 B I H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.894 108.4 55.3 -67.0 -37.8 32.2 41.1 6.9 213 73 B R H X S+ 0 0 46 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.898 110.6 47.1 -62.0 -36.6 33.6 43.7 9.3 214 74 B E H X S+ 0 0 29 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.930 112.0 48.4 -69.3 -45.7 31.9 41.7 12.1 215 75 B L H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 6,-1.2 0.863 112.1 50.8 -64.1 -31.9 33.1 38.3 10.8 216 76 B E H ><5S+ 0 0 65 -4,-2.8 3,-2.5 1,-0.2 -2,-0.2 0.957 108.1 51.1 -67.7 -48.9 36.6 39.8 10.6 217 77 B G H 3<5S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.767 108.3 53.3 -58.6 -25.6 36.4 41.0 14.1 218 78 B R T 3<5S- 0 0 36 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.392 114.5-121.4 -90.4 3.8 35.4 37.5 15.1 219 79 B N T < 5S+ 0 0 85 -3,-2.5 17,-0.3 2,-0.2 16,-0.3 0.845 84.5 110.4 60.2 38.4 38.4 36.2 13.4 220 80 B L S - 0 0 21 -13,-2.0 4,-2.5 -2,-0.2 5,-0.2 -0.331 35.2 -93.3 -88.0-179.9 40.7 31.9 8.6 234 99 B D H > S+ 0 0 135 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.917 133.4 46.7 -63.4 -39.3 41.6 28.6 10.3 235 100 B E H > S+ 0 0 78 -16,-0.3 4,-2.9 1,-0.2 5,-0.3 0.900 110.5 54.4 -66.6 -37.9 38.9 29.3 12.9 236 101 B G H > S+ 0 0 0 -17,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.874 106.2 50.6 -62.0 -40.6 36.5 30.2 10.0 237 102 B L H X S+ 0 0 81 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.905 113.8 45.2 -64.7 -43.5 37.1 26.9 8.2 238 103 B A H X S+ 0 0 51 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.937 114.3 46.2 -67.4 -49.1 36.4 24.9 11.4 239 104 B I H X S+ 0 0 28 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.936 113.2 51.9 -59.6 -45.4 33.3 26.9 12.4 240 105 B H H X S+ 0 0 3 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.886 106.7 52.4 -56.9 -42.0 32.1 26.6 8.8 241 106 B Q H X S+ 0 0 118 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.886 108.3 52.2 -64.9 -33.9 32.6 22.8 8.8 242 107 B H H X S+ 0 0 91 -4,-2.0 4,-2.0 2,-0.2 3,-0.3 0.952 110.0 47.6 -62.1 -53.6 30.5 22.7 12.0 243 108 B A H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.869 107.3 58.4 -55.4 -39.5 27.7 24.7 10.3 244 109 B E H X S+ 0 0 34 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.901 106.0 47.2 -59.4 -45.0 27.9 22.3 7.3 245 110 B A H X S+ 0 0 47 -4,-1.7 4,-2.0 -3,-0.3 -1,-0.2 0.886 113.1 49.3 -64.0 -41.2 27.2 19.2 9.5 246 111 B I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.907 109.8 53.6 -64.6 -39.2 24.3 21.0 11.1 247 112 B X H X S+ 0 0 6 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.934 110.0 44.1 -62.8 -48.3 23.1 22.0 7.7 248 113 B S H X S+ 0 0 46 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.860 111.8 54.1 -67.1 -34.7 23.1 18.4 6.3 249 114 B R H X S+ 0 0 93 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.914 108.7 48.9 -65.5 -42.0 21.4 17.0 9.4 250 115 B V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.921 113.2 46.6 -64.4 -42.7 18.6 19.6 9.1 251 116 B H H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.861 109.2 55.6 -68.2 -32.9 18.0 18.7 5.5 252 117 B D H X S+ 0 0 72 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.919 108.1 47.3 -65.0 -42.9 18.2 14.9 6.2 253 118 B E H < S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.876 112.2 52.2 -65.9 -32.9 15.4 15.3 8.8 254 119 B L H < S+ 0 0 1 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.899 120.5 31.1 -67.2 -42.9 13.4 17.3 6.3 255 120 B F H >< S+ 0 0 3 -4,-2.3 3,-1.9 1,-0.1 -2,-0.2 0.633 95.5 88.8 -92.5 -17.2 13.7 14.8 3.5 256 121 B A T 3< S+ 0 0 9 -4,-2.3 -254,-2.4 1,-0.3 -1,-0.1 0.839 79.7 61.9 -51.9 -42.6 13.8 11.5 5.5 257 122 B P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.701 89.6 88.1 -62.1 -15.4 10.1 11.0 5.6 258 123 B L S < S- 0 0 1 -3,-1.9 -256,-0.3 -256,-0.1 -3,-0.0 -0.611 82.7-117.9 -86.7 144.7 10.0 10.7 1.7 259 124 B T > - 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