==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 13-FEB-04 1SD6 . COMPND 2 MOLECULE: METHICILLIN RESISTANCE REGULATORY PROTEIN MECI; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.K.SAFO,Q.ZHAO,F.N.MUSAYEV,H.ROBINSON,N.SCARSDALE, . 237 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14375.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 74.3 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 . 16 6.8 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 . 1 0.4 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 . 17 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 52.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 1 1 0 1 3 4 0 0 2 0 0 0 0 0 0 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 . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 5 A T 0 0 136 0, 0.0 77,-0.0 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0 148.9 9.9 45.7 40.0 2 6 A Y - 0 0 185 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.636 360.0-102.6 99.4 109.2 10.5 42.4 41.9 3 7 A E - 0 0 146 1,-0.0 2,-0.3 75,-0.0 75,-0.0 -0.041 26.1-165.2 -57.5 150.4 11.0 39.0 40.3 4 8 A I - 0 0 17 1,-0.0 -2,-0.0 3,-0.0 -1,-0.0 -0.964 24.5-115.9-135.7 141.9 8.5 36.2 39.9 5 9 A S > - 0 0 54 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.134 28.3-101.3 -77.3 175.2 9.5 32.7 39.0 6 10 A S H > S+ 0 0 70 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.869 124.8 50.1 -62.2 -39.5 8.6 30.6 35.9 7 11 A A H > S+ 0 0 21 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.912 107.6 51.0 -67.6 -47.9 6.0 28.8 38.1 8 12 A E H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.859 105.1 59.2 -58.7 -32.7 4.4 32.0 39.4 9 13 A W H X S+ 0 0 3 -4,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.891 101.2 56.5 -63.4 -34.7 4.2 33.2 35.8 10 14 A E H X S+ 0 0 41 -4,-1.1 4,-0.8 -3,-0.4 -1,-0.2 0.827 109.1 42.8 -67.1 -31.7 2.0 30.2 35.1 11 15 A V H X S+ 0 0 0 -4,-1.1 4,-1.9 -3,-0.4 3,-0.4 0.917 115.7 49.1 -77.3 -48.4 -0.5 31.0 37.8 12 16 A M H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 3,-0.3 0.932 105.5 56.2 -58.3 -47.4 -0.6 34.6 36.9 13 17 A N H < S+ 0 0 18 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.868 109.0 49.8 -54.7 -33.2 -1.0 34.0 33.1 14 18 A I H >X S+ 0 0 16 -4,-0.8 4,-2.3 -3,-0.4 3,-0.8 0.842 109.0 49.3 -73.2 -39.0 -4.1 31.9 34.1 15 19 A I H 3X S+ 0 0 2 -4,-1.9 4,-1.5 -3,-0.3 -2,-0.2 0.901 108.2 54.0 -70.1 -36.2 -5.6 34.7 36.3 16 20 A W H 3< S+ 0 0 24 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.557 111.8 51.2 -71.4 -3.6 -5.0 37.2 33.5 17 21 A M H <4 S+ 0 0 142 -3,-0.8 -2,-0.2 -5,-0.3 -1,-0.2 0.897 122.2 22.0 -95.7 -61.7 -7.0 34.6 31.4 18 22 A K H < S- 0 0 79 -4,-2.3 2,-4.1 1,-0.1 -2,-0.2 0.402 89.6-143.1 -86.8 2.8 -10.2 33.9 33.4 19 23 A K S < S+ 0 0 131 -4,-1.5 48,-0.5 -5,-0.3 2,-0.4 -0.165 87.3 39.8 66.2 -54.4 -9.9 37.2 35.3 20 24 A Y S S+ 0 0 105 -2,-4.1 2,-0.4 46,-0.1 46,-0.2 -0.995 74.6 168.2-127.4 126.2 -11.2 35.4 38.4 21 25 A A E -A 65 0A 0 44,-2.3 44,-3.0 -2,-0.4 2,-0.1 -0.996 27.0-133.3-143.2 136.1 -10.1 31.8 39.2 22 26 A S E > -A 64 0A 7 -2,-0.4 4,-2.2 42,-0.3 3,-0.3 -0.367 37.1-103.0 -78.9 165.8 -10.5 29.5 42.2 23 27 A A H > S+ 0 0 14 40,-0.6 4,-1.9 1,-0.2 5,-0.2 0.940 123.5 49.6 -52.7 -46.9 -7.5 27.6 43.6 24 28 A N H > S+ 0 0 90 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.795 105.7 54.7 -66.0 -30.5 -8.9 24.4 41.9 25 29 A N H > S+ 0 0 59 -3,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.978 110.2 48.3 -62.9 -51.1 -9.4 26.0 38.6 26 30 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.825 113.0 46.6 -54.9 -40.2 -5.8 27.0 38.7 27 31 A I H X S+ 0 0 9 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.922 113.2 49.7 -71.5 -44.6 -4.7 23.5 39.7 28 32 A E H < S+ 0 0 130 -4,-2.8 4,-0.3 2,-0.2 -2,-0.2 0.944 115.3 43.0 -58.1 -51.1 -6.9 21.9 37.0 29 33 A E H >< S+ 0 0 75 -4,-3.0 3,-1.7 1,-0.2 4,-0.4 0.957 116.8 45.4 -58.0 -59.5 -5.6 24.2 34.3 30 34 A I H >X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.3 3,-1.7 0.852 102.4 64.1 -55.0 -42.6 -1.9 24.0 35.3 31 35 A Q T 3< S+ 0 0 86 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.593 88.2 74.3 -65.0 -5.3 -1.9 20.2 35.7 32 36 A M T <4 S+ 0 0 136 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.848 113.9 18.2 -74.4 -31.5 -2.7 20.0 32.0 33 37 A Q T <4 S+ 0 0 151 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.829 126.6 46.2-101.9 -50.5 1.0 21.0 31.1 34 38 A K S < S- 0 0 68 -4,-2.1 2,-1.2 1,-0.0 -1,-0.2 -0.736 71.3-134.0-101.1 146.8 3.0 20.3 34.3 35 39 A D + 0 0 161 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.589 53.1 145.6 -96.5 70.3 2.9 17.3 36.6 36 40 A W - 0 0 69 -2,-1.2 -2,-0.0 -9,-0.1 -5,-0.0 -0.758 48.8-115.9-107.4 156.7 2.7 19.1 39.9 37 41 A S > - 0 0 51 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.416 25.7-116.6 -83.3 161.3 0.9 18.2 43.0 38 42 A P H > S+ 0 0 61 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.899 118.4 57.8 -65.0 -34.7 -2.0 20.4 44.4 39 43 A K H > S+ 0 0 163 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.968 106.0 48.4 -54.3 -57.2 0.2 21.0 47.4 40 44 A T H > S+ 0 0 60 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 116.3 42.6 -46.9 -53.0 2.9 22.4 45.2 41 45 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.830 108.3 57.2 -67.3 -39.5 0.5 24.6 43.3 42 46 A R H X S+ 0 0 109 -4,-3.6 4,-2.5 1,-0.2 -1,-0.2 0.862 104.4 56.1 -61.2 -35.7 -1.4 25.8 46.4 43 47 A T H X S+ 0 0 79 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.950 104.5 51.3 -59.9 -51.4 1.9 27.0 47.7 44 48 A L H X S+ 0 0 25 -4,-1.4 4,-1.8 1,-0.2 5,-0.2 0.909 109.0 51.2 -53.7 -44.5 2.5 29.2 44.6 45 49 A I H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 3,-0.5 0.962 110.5 48.7 -60.2 -49.5 -0.9 30.7 45.0 46 50 A T H X S+ 0 0 63 -4,-2.5 4,-3.3 1,-0.2 5,-0.4 0.909 107.7 53.9 -57.0 -46.0 -0.2 31.5 48.6 47 51 A R H X S+ 0 0 117 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.831 110.1 47.1 -59.5 -33.3 3.2 33.1 47.9 48 52 A L H <>S+ 0 0 1 -4,-1.8 5,-3.1 -3,-0.5 6,-1.2 0.831 115.2 47.3 -77.7 -28.9 1.6 35.5 45.3 49 53 A Y H ><5S+ 0 0 73 -4,-1.8 3,-2.1 2,-0.2 -2,-0.2 0.980 114.4 43.8 -70.5 -60.2 -1.2 36.3 47.8 50 54 A K H 3<5S+ 0 0 155 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.791 114.6 54.3 -52.8 -32.5 1.2 36.9 50.7 51 55 A K T 3<5S- 0 0 121 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.573 113.4-120.2 -79.5 -15.4 3.3 38.8 48.2 52 56 A G T < 5S+ 0 0 43 -3,-2.1 -3,-0.2 -4,-0.4 -2,-0.1 0.724 80.2 118.3 81.2 22.4 0.5 41.1 47.1 53 57 A F S - 0 0 96 -2,-0.4 4,-2.9 1,-0.2 5,-0.3 -0.622 26.9-163.8 -76.4 103.3 -0.7 45.3 35.7 71 75 A E H > S+ 0 0 69 -2,-0.9 4,-2.3 1,-0.2 5,-0.4 0.961 87.2 41.8 -51.8 -67.4 -0.1 42.6 33.2 72 76 A S H > S+ 0 0 37 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.785 117.2 53.8 -56.3 -24.5 1.3 44.5 30.3 73 77 A D H > S+ 0 0 79 2,-0.2 4,-2.7 3,-0.1 -2,-0.2 0.964 110.4 39.6 -77.6 -50.8 3.3 46.4 32.8 74 78 A I H X S+ 0 0 25 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.892 115.7 52.1 -64.4 -41.8 5.1 43.6 34.7 75 79 A K H X S+ 0 0 11 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.862 111.1 50.0 -60.4 -39.5 5.7 41.6 31.5 76 80 A Y H >X S+ 0 0 43 -4,-1.0 4,-2.3 -5,-0.4 3,-0.6 0.964 110.3 46.0 -63.7 -57.0 7.2 44.7 30.0 77 81 A K H 3X S+ 0 0 72 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.880 112.5 55.6 -56.8 -30.9 9.5 45.4 32.9 78 82 A T H 3X S+ 0 0 29 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.844 107.3 46.4 -70.7 -33.4 10.3 41.7 32.7 79 83 A S H < - 0 0 5 -4,-0.6 3,-1.9 -5,-0.3 -1,-0.2 -0.671 56.9-179.2 -90.0 90.0 20.8 40.6 24.0 88 92 A K T 3 S+ 0 0 132 -2,-1.3 -1,-0.2 1,-0.3 3,-0.1 0.833 80.7 64.1 -55.4 -30.8 23.6 43.2 24.7 89 93 A G T 3 S- 0 0 48 1,-0.2 4,-0.4 -3,-0.1 3,-0.3 0.216 109.0-121.4 -79.3 15.3 22.6 44.9 21.4 90 94 A G X> - 0 0 24 -3,-1.9 3,-1.8 -7,-0.2 4,-1.3 -0.009 51.2 -32.6 76.5-179.4 19.1 45.8 22.7 91 95 A F H 3> S+ 0 0 12 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.787 132.6 57.0 -41.5 -42.7 15.5 45.0 21.6 92 96 A N H 3> S+ 0 0 63 -3,-0.3 4,-3.1 1,-0.2 -1,-0.3 0.809 98.1 59.4 -65.6 -32.2 16.5 45.0 17.9 93 97 A S H <> S+ 0 0 37 -3,-1.8 4,-2.2 -4,-0.4 -1,-0.2 0.944 107.6 49.5 -59.3 -44.6 19.1 42.3 18.5 94 98 A L H X S+ 0 0 2 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.929 113.4 42.8 -57.6 -53.8 16.3 40.2 19.7 95 99 A V H X S+ 0 0 17 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.921 113.8 51.1 -63.5 -45.6 14.0 40.9 16.8 96 100 A L H X S+ 0 0 92 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.857 115.3 44.8 -59.0 -36.5 16.8 40.5 14.2 97 101 A N H X S+ 0 0 13 -4,-2.2 4,-1.6 -5,-0.3 5,-0.3 0.894 112.2 50.3 -74.9 -41.5 17.7 37.1 15.8 98 102 A F H X S+ 0 0 1 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.858 112.0 49.1 -66.8 -33.9 14.1 36.0 16.1 99 103 A V H < S+ 0 0 38 -4,-2.4 5,-0.3 2,-0.2 -1,-0.2 0.877 111.8 43.6 -71.1 -46.8 13.5 36.8 12.4 100 104 A E H < S+ 0 0 119 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.828 123.9 39.3 -71.1 -30.5 16.5 35.1 10.7 101 105 A K H < S+ 0 0 68 -4,-1.6 2,-0.4 -5,-0.2 -2,-0.2 0.858 104.0 69.2 -90.7 -37.0 16.0 32.0 13.0 102 106 A E S < S- 0 0 39 -4,-2.5 2,-1.3 -5,-0.3 -1,-0.0 -0.700 77.6-135.5 -87.2 129.5 12.2 31.6 13.1 103 107 A E - 0 0 189 -2,-0.4 2,-0.3 1,-0.0 -3,-0.1 -0.768 34.1-160.5 -84.3 101.9 10.6 30.5 9.9 104 108 A L - 0 0 31 -2,-1.3 2,-0.1 -5,-0.3 -5,-0.0 -0.691 12.6-121.9 -90.3 137.4 7.7 33.0 10.1 105 109 A S > - 0 0 51 -2,-0.3 4,-3.5 1,-0.1 5,-0.2 -0.385 26.2-113.2 -74.2 153.9 4.5 32.5 8.1 106 110 A Q H > S+ 0 0 117 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.927 122.7 50.4 -50.2 -44.5 3.5 35.2 5.7 107 111 A D H > S+ 0 0 128 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.908 109.9 49.0 -60.2 -44.5 0.6 35.8 8.1 108 112 A E H > S+ 0 0 73 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.917 114.0 47.6 -62.7 -43.4 2.9 36.0 11.1 109 113 A I H X S+ 0 0 36 -4,-3.5 4,-1.0 2,-0.2 3,-0.5 0.940 113.4 44.6 -64.5 -49.1 5.1 38.4 9.2 110 114 A E H >X S+ 0 0 76 -4,-3.3 4,-1.6 1,-0.2 3,-1.5 0.941 107.5 60.5 -60.4 -44.2 2.2 40.7 8.0 111 115 A E H 3< S+ 0 0 90 -4,-2.9 4,-0.3 1,-0.3 -1,-0.2 0.804 104.7 50.1 -52.1 -33.2 0.8 40.6 11.5 112 116 A L H 3X S+ 0 0 8 -4,-1.2 4,-0.7 -3,-0.5 -1,-0.3 0.714 104.8 59.7 -79.0 -24.1 4.0 42.1 12.7 113 117 A R H XX S+ 0 0 61 -3,-1.5 3,-1.7 -4,-1.0 4,-1.1 0.980 105.4 42.0 -71.1 -58.7 3.9 44.9 10.2 114 118 A N H 3X S+ 0 0 84 -4,-1.6 4,-1.2 1,-0.3 -1,-0.2 0.600 105.9 67.6 -66.6 -5.8 0.6 46.6 11.0 115 119 A I H 34 S+ 0 0 16 -5,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.827 104.7 43.0 -76.0 -31.6 1.6 46.2 14.6 116 120 A L H << S+ 0 0 13 -3,-1.7 -2,-0.2 -4,-0.7 -1,-0.2 0.673 111.7 54.3 -82.6 -24.7 4.4 48.7 13.8 117 121 A N H < S+ 0 0 93 -4,-1.1 2,-2.5 1,-0.2 -2,-0.2 0.751 83.6 86.8 -82.7 -26.5 2.0 50.9 11.8 118 122 A K < 0 0 174 -4,-1.2 -1,-0.2 1,-0.2 -4,-0.0 -0.417 360.0 360.0 -75.8 67.0 -0.5 51.2 14.6 119 123 A K 0 0 212 -2,-2.5 -1,-0.2 -3,-0.1 -2,-0.2 0.985 360.0 360.0 67.2 360.0 1.3 54.3 16.1 120 !* 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 0.0 121 5 B T 0 0 151 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.9 18.6 22.2 28.3 122 6 B Y - 0 0 145 49,-0.1 2,-0.8 0, 0.0 49,-0.0 -0.714 360.0-127.6-103.5 155.3 20.3 24.5 30.9 123 7 B E - 0 0 132 -2,-0.3 2,-0.4 75,-0.0 75,-0.0 -0.876 26.6-143.0-104.3 104.6 19.3 28.0 32.2 124 8 B I - 0 0 5 -2,-0.8 5,-0.0 1,-0.1 44,-0.0 -0.516 12.7-133.1 -73.8 124.2 22.2 30.3 31.8 125 9 B S > - 0 0 47 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.156 25.6-107.4 -65.4 168.3 22.5 32.8 34.7 126 10 B S H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.873 121.4 54.7 -66.8 -38.6 23.1 36.4 33.9 127 11 B A H > S+ 0 0 25 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.840 107.0 50.8 -66.6 -30.7 26.7 36.2 35.0 128 12 B E H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.860 105.0 56.1 -75.9 -32.3 27.2 33.3 32.6 129 13 B W H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.905 102.9 58.1 -60.6 -39.2 25.7 35.3 29.8 130 14 B E H X S+ 0 0 63 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.919 110.1 41.1 -53.7 -50.4 28.4 37.9 30.6 131 15 B V H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.857 110.2 56.6 -69.5 -40.7 31.2 35.4 30.0 132 16 B M H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.956 103.7 53.9 -57.9 -51.2 29.7 33.8 26.9 133 17 B N H X S+ 0 0 13 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.832 107.3 52.1 -52.2 -37.5 29.5 37.1 25.1 134 18 B I H X S+ 0 0 21 -4,-1.0 4,-2.2 -5,-0.2 5,-0.3 0.916 112.3 44.8 -65.4 -44.5 33.2 37.7 25.8 135 19 B I H X S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.899 111.2 53.3 -67.0 -38.4 34.1 34.3 24.4 136 20 B W H < S+ 0 0 34 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.805 113.1 45.8 -65.7 -28.5 31.7 34.8 21.4 137 21 B M H < S+ 0 0 122 -4,-1.4 -2,-0.2 -5,-0.3 -3,-0.2 0.984 123.2 30.8 -72.2 -74.8 33.6 38.1 20.7 138 22 B K H < S- 0 0 58 -4,-2.2 2,-1.0 1,-0.2 -2,-0.2 0.789 88.9-153.9 -54.0 -37.5 37.2 36.9 21.1 139 23 B K S < S+ 0 0 144 -4,-2.9 48,-0.5 -5,-0.3 2,-0.3 -0.359 77.5 36.8 87.8 -48.8 36.3 33.4 19.8 140 24 B Y E S+C 186 0B 103 -2,-1.0 2,-0.3 46,-0.2 46,-0.2 -0.984 77.1 159.4-129.9 136.5 39.3 31.8 21.7 141 25 B A E -C 185 0B 0 44,-1.8 44,-2.2 -2,-0.3 2,-0.0 -0.889 33.6-125.9-167.2 137.4 40.4 33.0 25.2 142 26 B S > - 0 0 13 -2,-0.3 4,-2.3 42,-0.2 3,-0.5 -0.317 40.8-105.2 -75.6 159.1 42.3 32.0 28.4 143 27 B A H > S+ 0 0 14 40,-0.3 4,-3.5 1,-0.3 5,-0.2 0.919 126.2 51.2 -47.9 -41.3 40.8 32.3 31.9 144 28 B N H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.841 103.7 53.0 -66.3 -38.4 43.0 35.4 32.2 145 29 B N H > S+ 0 0 45 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.895 118.3 41.3 -62.3 -38.2 41.9 37.0 29.0 146 30 B I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.891 111.3 52.5 -76.4 -44.8 38.4 36.5 30.4 147 31 B I H X S+ 0 0 11 -4,-3.5 4,-1.9 -5,-0.3 -2,-0.2 0.912 114.2 45.0 -60.0 -40.5 39.2 37.5 34.0 148 32 B E H X S+ 0 0 118 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.942 111.4 50.6 -69.0 -47.4 40.7 40.8 32.8 149 33 B E H < S+ 0 0 50 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.798 116.1 44.3 -60.8 -27.9 38.0 41.6 30.3 150 34 B I H >X S+ 0 0 5 -4,-1.8 4,-2.6 1,-0.2 3,-1.5 0.787 102.6 60.6 -89.2 -30.8 35.4 41.0 33.0 151 35 B Q H 3< S+ 0 0 95 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.640 89.9 76.6 -71.4 -10.7 37.1 42.9 35.9 152 36 B M T 3< S+ 0 0 127 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.777 116.5 11.4 -67.7 -26.3 36.8 45.9 33.6 153 37 B Q T <4 S+ 0 0 159 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.714 123.6 56.8-117.4 -41.0 33.1 46.1 34.5 154 38 B K < - 0 0 72 -4,-2.6 2,-1.0 2,-0.1 -1,-0.2 -0.715 66.1-138.5-102.2 145.5 32.4 43.8 37.4 155 39 B D + 0 0 164 -2,-0.3 2,-0.4 -3,-0.1 -4,-0.1 -0.391 57.4 140.3 -93.9 56.8 33.9 43.6 40.8 156 40 B W - 0 0 66 -2,-1.0 -2,-0.1 -6,-0.2 -3,-0.0 -0.827 52.0-117.5-100.9 141.5 34.0 39.8 40.7 157 41 B S > - 0 0 55 -2,-0.4 4,-3.3 1,-0.1 5,-0.3 -0.441 21.0-115.2 -77.3 148.2 37.0 37.8 42.0 158 42 B P H > S+ 0 0 51 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.884 121.6 52.5 -46.6 -42.9 39.3 35.6 39.8 159 43 B K H > S+ 0 0 156 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.967 110.2 46.5 -58.9 -51.9 38.0 32.7 41.8 160 44 B T H > S+ 0 0 66 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.940 114.8 47.2 -54.9 -49.3 34.4 33.7 41.1 161 45 B I H X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.873 111.2 49.7 -64.6 -36.0 35.2 34.2 37.4 162 46 B R H X S+ 0 0 121 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.869 107.2 56.2 -67.9 -35.1 37.0 30.9 37.0 163 47 B T H X S+ 0 0 61 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.816 103.9 55.2 -63.1 -34.8 34.1 29.1 38.7 164 48 B L H X S+ 0 0 9 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.905 108.0 46.3 -65.1 -45.7 31.8 30.6 36.1 165 49 B I H X S+ 0 0 2 -4,-1.4 4,-2.0 2,-0.2 3,-0.4 0.926 111.1 51.8 -62.8 -48.6 33.9 29.2 33.2 166 50 B T H X S+ 0 0 65 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.917 106.8 56.5 -56.2 -40.0 34.1 25.8 34.9 167 51 B R H X S+ 0 0 108 -4,-1.9 4,-0.7 1,-0.2 -1,-0.3 0.868 110.9 41.6 -61.0 -37.3 30.3 26.0 35.2 168 52 B L H <>S+ 0 0 0 -4,-1.5 5,-1.9 -3,-0.4 6,-1.3 0.664 110.1 57.7 -82.6 -21.1 29.9 26.5 31.5 169 53 B Y H ><5S+ 0 0 81 -4,-2.0 3,-1.0 4,-0.2 -2,-0.2 0.904 108.8 46.4 -71.8 -41.9 32.5 23.9 30.6 170 54 B K H 3<5S+ 0 0 163 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.743 108.9 55.7 -71.7 -23.9 30.5 21.4 32.6 171 55 B K T 3<5S- 0 0 41 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.440 113.2-117.9 -87.6 -2.8 27.3 22.5 30.9 172 56 B G T < 5S+ 0 0 38 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.598 82.3 120.9 77.0 10.7 28.9 21.8 27.4 173 57 B F S > - 0 0 110 -2,-0.4 4,-3.0 1,-0.2 3,-0.9 -0.482 25.6-142.9 -62.4 115.0 26.3 28.8 17.9 191 75 B E H 3> S+ 0 0 57 -2,-0.4 4,-1.4 1,-0.2 5,-0.2 0.731 97.6 48.4 -51.9 -30.8 25.5 32.2 19.5 192 76 B S H 3> S+ 0 0 18 2,-0.2 4,-1.0 3,-0.2 -1,-0.2 0.716 115.2 45.8 -85.3 -23.0 22.5 33.0 17.2 193 77 B D H <> S+ 0 0 78 -3,-0.9 4,-2.9 2,-0.2 -2,-0.2 0.935 113.1 48.2 -79.3 -52.5 21.1 29.5 17.8 194 78 B I H X S+ 0 0 23 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.878 115.0 43.9 -55.9 -44.5 21.6 29.5 21.6 195 79 B K H X S+ 0 0 10 -4,-1.4 4,-3.1 -5,-0.3 5,-0.2 0.933 112.1 53.2 -71.0 -43.2 20.1 33.0 22.1 196 80 B Y H X S+ 0 0 42 -4,-1.0 4,-2.5 1,-0.2 -2,-0.2 0.933 109.7 49.1 -52.5 -47.8 17.2 32.2 19.8 197 81 B K H X S+ 0 0 91 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.872 111.3 50.9 -58.7 -41.0 16.5 29.1 21.8 198 82 B T H X S+ 0 0 23 -4,-1.8 4,-2.3 2,-0.2 3,-0.3 0.923 109.9 48.0 -61.8 -53.1 16.6 31.2 25.0 199 83 B S H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.914 107.3 56.2 -56.2 -46.8 14.2 33.8 23.7 200 84 B K H X S+ 0 0 47 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.843 112.4 43.2 -56.6 -32.6 11.7 31.1 22.5 201 85 B N H X S+ 0 0 78 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.836 111.4 52.3 -83.5 -31.8 11.7 29.8 26.1 202 86 B F H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 5,-0.4 0.858 111.2 49.9 -69.5 -34.7 11.5 33.2 27.7 203 87 B I H X S+ 0 0 1 -4,-2.7 4,-1.5 -5,-0.2 7,-0.2 0.861 108.4 50.2 -70.4 -39.3 8.5 33.9 25.5 204 88 B N H < S+ 0 0 84 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.919 112.6 48.8 -67.9 -40.3 6.7 30.7 26.4 205 89 B K H < S+ 0 0 66 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.979 130.3 17.1 -60.6 -58.9 7.2 31.4 30.1 206 90 B V H < S+ 0 0 0 -4,-2.3 2,-0.4 -5,-0.1 -3,-0.2 0.936 119.1 58.1 -82.3 -51.3 6.0 35.0 30.0 207 91 B Y < - 0 0 3 -4,-1.5 3,-0.4 -5,-0.4 -1,-0.1 -0.724 44.6-176.6 -96.6 129.7 4.0 35.5 26.7 208 92 B K S S+ 0 0 131 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 -0.233 85.7 59.8-111.1 43.1 1.0 33.5 25.6 209 93 B G S > S- 0 0 44 1,-0.3 4,-0.9 -6,-0.2 3,-0.4 0.054 103.5-132.2-145.4 9.9 0.7 35.2 22.2 210 94 B G H > - 0 0 20 -3,-0.4 4,-1.0 -7,-0.2 -1,-0.3 -0.296 59.3 -27.5 67.0-151.2 4.2 34.1 21.2 211 95 B F H >> S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.896 135.1 58.4 -60.8 -49.5 6.7 36.6 19.7 212 96 B N H 3> S+ 0 0 19 -3,-0.4 4,-2.1 1,-0.3 -1,-0.2 0.872 105.5 50.4 -51.0 -44.6 4.1 38.9 18.2 213 97 B S H 3X S+ 0 0 44 -4,-0.9 4,-1.6 2,-0.2 -1,-0.3 0.778 109.9 50.7 -65.7 -32.7 2.5 39.5 21.6 214 98 B L H > - 0 0 40 -2,-0.8 4,-3.1 1,-0.2 3,-0.9 -0.152 25.4-111.9 -51.9 147.0 10.5 57.5 17.8 226 110 B Q H 3> S+ 0 0 92 1,-0.3 4,-3.4 2,-0.3 5,-0.3 0.843 127.0 61.6 -50.9 -29.9 9.4 56.9 14.2 227 111 B D H 3> S+ 0 0 125 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.957 111.2 37.6 -56.9 -49.6 13.2 57.2 13.7 228 112 B E H <> S+ 0 0 62 -3,-0.9 4,-1.3 2,-0.2 -2,-0.3 0.918 116.9 50.7 -66.2 -51.3 13.3 54.1 15.9 229 113 B I H >X S+ 0 0 3 -4,-3.1 4,-2.6 -5,-0.2 3,-0.6 0.908 108.4 52.4 -53.2 -50.4 10.1 52.4 14.5 230 114 B E H 3X S+ 0 0 100 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.878 102.0 60.0 -56.1 -41.8 11.4 52.9 10.9 231 115 B E H 3X S+ 0 0 121 -4,-1.3 4,-1.1 -5,-0.3 -1,-0.2 0.865 110.6 41.9 -56.5 -37.8 14.6 51.1 11.9 232 116 B L H