==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 14-APR-99 1CJG . COMPND 2 MOLECULE: PROTEIN (LAC REPRESSOR); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.A.E.M.SPRONK,A.M.J.J.BONVIN,P.K.RADHA,G.MELACINI, . 124 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 62.9 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 . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 41.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 5.6 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 2 0 4 0 0 0 0 1 1 0 0 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 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 1 A M 0 0 240 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -95.5 50.6 14.0 16.9 2 2 A K - 0 0 160 44,-0.1 2,-0.2 0, 0.0 46,-0.2 -0.925 360.0-151.6-101.0 103.5 51.7 14.2 20.5 3 3 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 44,-0.1 -0.532 9.3-162.8 -58.6 152.5 52.5 17.7 21.6 4 4 A V - 0 0 15 44,-1.7 2,-0.3 -2,-0.2 46,-0.1 -0.765 12.9-127.3-128.9 166.5 55.1 18.2 24.3 5 5 A T >> - 0 0 63 -2,-0.3 4,-2.0 44,-0.1 3,-0.8 -0.926 21.6-113.7-123.4 158.9 55.7 21.3 26.5 6 6 A L H 3> S+ 0 0 50 -2,-0.3 4,-1.9 1,-0.3 14,-0.1 0.775 120.2 54.9 -48.8 -32.7 58.6 23.6 27.4 7 7 A Y H 3> S+ 0 0 136 2,-0.2 4,-3.0 3,-0.2 -1,-0.3 0.861 103.5 52.7 -71.6 -40.7 58.1 22.2 30.9 8 8 A D H <> S+ 0 0 78 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.926 113.0 44.6 -65.0 -42.9 58.4 18.6 29.8 9 9 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.921 114.6 49.7 -63.4 -44.7 61.7 19.4 28.1 10 10 A A H X>S+ 0 0 4 -4,-1.9 5,-2.6 -5,-0.2 4,-1.7 0.934 110.6 48.7 -60.1 -49.4 62.8 21.4 31.1 11 11 A E H <5S+ 0 0 165 -4,-3.0 -2,-0.2 3,-0.2 -1,-0.2 0.891 113.9 47.6 -59.5 -42.4 62.0 18.7 33.6 12 12 A Y H <5S+ 0 0 125 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.947 115.6 41.6 -64.8 -52.1 63.8 16.1 31.5 13 13 A A H <5S- 0 0 25 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.733 112.5-119.8 -72.6 -17.2 67.0 18.1 31.0 14 14 A G T <5S+ 0 0 65 -4,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.826 74.4 107.1 84.2 34.9 66.8 19.3 34.6 15 15 A V S - 0 0 51 -2,-0.2 4,-1.8 1,-0.1 -1,-0.1 -0.543 35.7-116.8 -93.9 163.0 64.2 25.8 33.8 17 17 A Y H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.815 119.2 53.1 -72.7 -24.9 61.5 26.5 31.1 18 18 A Q H > S+ 0 0 135 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.808 103.7 57.1 -78.2 -24.8 63.3 29.8 30.3 19 19 A T H > S+ 0 0 27 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.949 109.9 46.4 -65.6 -43.5 66.4 27.8 29.9 20 20 A V H >X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-1.8 0.952 107.2 53.8 -59.2 -59.2 64.6 25.8 27.3 21 21 A S H 3X S+ 0 0 37 -4,-2.4 4,-2.5 1,-0.3 6,-0.3 0.788 99.2 64.5 -59.3 -21.4 63.0 28.7 25.4 22 22 A R H 3<>S+ 0 0 61 -4,-1.4 5,-0.7 4,-0.2 4,-0.3 0.841 110.2 37.7 -59.4 -38.1 66.4 30.2 24.9 23 23 A V H <<5S+ 0 0 19 -3,-1.8 -2,-0.2 -4,-0.6 -1,-0.2 0.905 124.4 40.0 -81.9 -44.8 67.5 27.2 22.9 24 24 A V H <5S+ 0 0 36 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.944 129.2 25.2 -65.0 -62.1 64.1 26.8 21.1 25 25 A N T <5S- 0 0 82 -4,-2.5 -3,-0.2 -5,-0.2 -1,-0.2 0.165 110.8-107.3-104.6 21.2 63.1 30.3 20.4 26 26 A Q T 5 + 0 0 168 -4,-0.3 -4,-0.2 -5,-0.2 -3,-0.2 0.914 54.2 163.6 60.0 58.8 66.5 32.0 20.4 27 27 A A < - 0 0 51 -5,-0.7 3,-0.1 -6,-0.3 -1,-0.1 -0.114 30.4-132.4 -90.4-171.4 66.9 34.0 23.5 28 28 A S S S+ 0 0 91 1,-0.1 2,-1.7 2,-0.0 -1,-0.1 0.841 72.6 69.0-108.3 -64.9 70.1 35.4 25.0 29 29 A H S S+ 0 0 187 1,-0.1 -1,-0.1 2,-0.0 -7,-0.1 -0.415 76.6 76.5 -84.7 74.9 70.9 35.1 28.7 30 30 A V S S- 0 0 52 -2,-1.7 2,-0.3 -3,-0.1 -1,-0.1 0.314 80.8-103.4-126.3-100.2 71.7 31.4 29.4 31 31 A S > - 0 0 40 -12,-0.1 4,-0.7 1,-0.1 -2,-0.0 -0.918 16.5-110.5 178.6 170.5 75.0 29.9 28.4 32 32 A A H > S+ 0 0 71 -2,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.746 112.2 62.8 -86.8 -27.0 76.5 27.6 25.8 33 33 A K H 4 S+ 0 0 170 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.950 109.6 34.9 -58.5 -58.7 77.1 25.0 28.4 34 34 A T H >> S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 3,-1.5 0.791 103.0 78.1 -72.5 -29.3 73.5 24.4 29.3 35 35 A R H 3X S+ 0 0 64 -4,-0.7 4,-1.7 1,-0.3 3,-0.3 0.895 93.4 48.1 -43.7 -54.5 72.3 25.0 25.8 36 36 A E H 3X S+ 0 0 123 -4,-1.0 4,-0.9 -3,-0.3 -1,-0.3 0.626 104.8 60.1 -65.2 -17.6 73.3 21.5 24.6 37 37 A K H <> S+ 0 0 123 -3,-1.5 4,-1.0 -4,-0.3 3,-0.2 0.889 106.3 46.9 -81.6 -36.4 71.6 19.9 27.5 38 38 A V H >X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.3 3,-0.8 0.914 105.1 60.7 -65.3 -41.0 68.3 21.3 26.5 39 39 A E H 3X S+ 0 0 84 -4,-1.7 4,-0.8 1,-0.3 -1,-0.2 0.836 101.6 54.4 -57.2 -30.0 69.0 20.2 22.9 40 40 A A H 3X S+ 0 0 50 -4,-0.9 4,-0.9 -3,-0.2 -1,-0.3 0.835 104.6 53.7 -69.9 -34.5 69.2 16.6 24.3 41 41 A A H XX S+ 0 0 0 -4,-1.0 4,-1.5 -3,-0.8 3,-0.8 0.949 104.6 52.9 -70.7 -42.8 65.7 17.0 25.8 42 42 A M H 3X>S+ 0 0 48 -4,-1.9 5,-1.2 1,-0.2 4,-0.6 0.761 107.6 55.4 -50.8 -35.1 64.1 18.1 22.6 43 43 A A H 3<5S+ 0 0 75 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.751 109.5 42.6 -77.6 -29.9 65.5 15.0 21.0 44 44 A E H <<5S+ 0 0 124 -4,-0.9 -2,-0.2 -3,-0.8 -3,-0.1 0.962 124.0 28.4 -78.8 -65.9 64.1 12.4 23.3 45 45 A L H <5S- 0 0 61 -4,-1.5 -3,-0.1 -37,-0.0 -2,-0.1 0.692 106.6-121.4 -74.3 -21.6 60.5 13.4 24.0 46 46 A N T <5 - 0 0 105 -4,-0.6 2,-0.6 -5,-0.5 -3,-0.2 0.977 25.7-136.7 74.0 71.2 60.3 15.1 20.6 47 47 A Y < + 0 0 36 -5,-1.2 -1,-0.2 -6,-0.1 -5,-0.1 -0.420 29.8 172.2 -64.2 111.0 59.4 18.6 21.5 48 48 A I - 0 0 74 -2,-0.6 -44,-1.7 -46,-0.2 2,-0.2 -0.981 19.9-156.7-108.8 106.5 56.6 20.1 19.3 49 49 A P - 0 0 52 0, 0.0 2,-0.5 0, 0.0 -44,-0.1 -0.530 23.0-102.4 -67.0 162.3 55.7 23.4 20.8 50 50 A N > - 0 0 83 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.779 17.5-158.0 -90.6 125.1 52.3 25.0 20.2 51 51 A R H > S+ 0 0 206 -2,-0.5 4,-0.9 2,-0.2 -1,-0.1 0.737 95.0 59.8 -70.1 -23.2 52.3 27.8 17.7 52 52 A V H > S+ 0 0 25 2,-0.2 4,-2.9 3,-0.2 3,-0.2 0.920 105.1 45.9 -72.2 -43.7 49.1 29.0 19.3 53 53 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.912 111.7 53.4 -60.3 -45.6 50.8 29.5 22.7 54 54 A Q H < S+ 0 0 109 -4,-1.7 4,-0.2 1,-0.2 -1,-0.2 0.727 114.6 42.1 -63.6 -26.2 53.7 31.2 20.9 55 55 A Q H < S+ 0 0 120 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.894 114.9 46.0 -88.6 -46.9 51.2 33.6 19.2 56 56 A L H < S+ 0 0 74 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.926 125.2 31.4 -63.6 -45.9 48.9 34.4 22.1 57 57 A A S < S+ 0 0 86 -4,-2.3 2,-2.9 -5,-0.2 -1,-0.2 0.619 90.2 105.6 -82.6 -20.6 51.6 35.0 24.7 58 58 A G S S- 0 0 44 -5,-0.3 -1,-0.2 -4,-0.2 -4,-0.1 -0.166 94.4 -90.3 -64.5 45.2 54.0 36.4 22.1 59 59 A K - 0 0 189 -2,-2.9 -1,-0.2 -3,-0.1 3,-0.1 0.808 41.3 -90.3 53.9 138.9 53.6 39.9 23.2 60 60 A Q - 0 0 182 -3,-0.1 2,-0.3 1,-0.1 -4,-0.0 -0.244 48.6 -95.9 -69.7 158.5 51.1 42.6 22.1 61 61 A S 0 0 124 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.603 360.0 360.0 -83.4 136.5 52.0 44.9 19.2 62 62 A L 0 0 237 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.919 360.0 360.0 -94.2 360.0 53.3 48.3 20.2 63 !* 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 64 1 B M 0 0 248 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.8 43.0 46.5 13.0 65 2 B K - 0 0 158 44,-0.1 2,-0.2 0, 0.0 46,-0.2 -0.973 360.0-151.3-112.5 105.0 41.7 47.1 16.5 66 3 B P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 44,-0.1 -0.578 9.6-165.6 -59.5 152.0 40.9 44.0 18.5 67 4 B V - 0 0 11 44,-1.5 2,-0.3 -2,-0.2 46,-0.1 -0.794 12.9-132.2-128.4 166.1 38.2 44.0 21.1 68 5 B T >> - 0 0 65 -2,-0.3 4,-1.9 44,-0.1 3,-1.2 -0.920 23.4-110.6-125.1 161.1 37.6 41.4 23.8 69 6 B L H 3> S+ 0 0 50 -2,-0.3 4,-1.8 1,-0.3 14,-0.1 0.741 120.4 54.9 -49.1 -31.6 34.6 39.4 25.2 70 7 B Y H 3> S+ 0 0 132 2,-0.2 4,-2.6 3,-0.2 -1,-0.3 0.784 103.7 53.5 -75.8 -32.1 35.0 41.5 28.4 71 8 B D H <> S+ 0 0 67 -3,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.911 112.8 43.8 -72.1 -40.6 34.7 44.8 26.4 72 9 B V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.917 114.7 50.0 -66.1 -45.1 31.5 43.6 24.9 73 10 B A H X>S+ 0 0 4 -4,-1.8 5,-2.4 -5,-0.2 4,-1.9 0.946 110.0 49.4 -60.5 -48.9 30.2 42.2 28.2 74 11 B E H <5S+ 0 0 158 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.868 113.2 48.0 -57.0 -41.3 31.0 45.5 30.1 75 12 B Y H <5S+ 0 0 119 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.926 115.6 41.3 -68.7 -47.6 29.2 47.5 27.4 76 13 B A H <5S- 0 0 25 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.736 111.2-119.7 -75.4 -18.9 26.1 45.4 27.3 77 14 B G T <5S+ 0 0 67 -4,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.809 74.6 109.2 85.3 32.4 26.1 45.0 31.1 78 15 B V S - 0 0 56 -2,-0.2 4,-1.7 1,-0.1 -1,-0.1 -0.475 35.0-116.3 -90.8 164.2 28.8 38.5 31.8 80 17 B Y H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.812 118.5 54.7 -74.1 -23.4 31.5 37.2 29.4 81 18 B Q H > S+ 0 0 137 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.775 103.9 56.1 -78.7 -21.7 29.8 33.9 29.3 82 19 B T H > S+ 0 0 25 2,-0.2 4,-0.7 1,-0.1 -2,-0.2 0.945 109.2 47.4 -67.8 -46.9 26.7 35.7 28.3 83 20 B V H >X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 3,-1.8 0.942 107.5 52.9 -56.1 -58.5 28.6 37.1 25.4 84 21 B S H 3X S+ 0 0 35 -4,-2.2 4,-2.2 1,-0.3 6,-0.2 0.763 99.4 64.7 -62.3 -19.4 30.2 33.9 24.2 85 22 B R H 3<>S+ 0 0 62 -4,-1.1 5,-1.0 -3,-0.2 4,-0.3 0.834 110.2 37.8 -62.1 -36.7 26.9 32.2 24.1 86 23 B V H <<5S+ 0 0 20 -3,-1.8 -2,-0.2 -4,-0.7 3,-0.2 0.916 124.0 40.5 -81.2 -47.2 25.8 34.7 21.3 87 24 B V H <5S+ 0 0 36 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.952 128.3 24.9 -61.3 -65.5 29.2 34.8 19.6 88 25 B N T <5S- 0 0 88 -4,-2.2 -1,-0.2 -5,-0.1 -3,-0.2 0.119 110.8-106.0-104.3 25.8 30.4 31.2 19.7 89 26 B Q T 5 + 0 0 174 -4,-0.3 -4,-0.2 -3,-0.2 -3,-0.2 0.934 55.7 161.3 55.5 66.1 27.0 29.4 19.9 90 27 B A < - 0 0 51 -5,-1.0 3,-0.1 -6,-0.2 -1,-0.1 -0.252 31.6-128.7 -98.1-172.8 26.5 28.1 23.5 91 28 B S S S+ 0 0 92 1,-0.1 2,-1.8 -2,-0.1 -1,-0.1 0.893 72.4 66.2-102.2 -73.4 23.3 27.1 25.2 92 29 B H S S+ 0 0 188 1,-0.1 -1,-0.1 2,-0.0 -7,-0.1 -0.436 75.8 78.6 -80.1 79.5 22.3 28.3 28.6 93 30 B V S S- 0 0 52 -2,-1.8 2,-0.3 -3,-0.1 -1,-0.1 0.324 80.4-102.0-128.2 -96.7 21.5 32.0 28.5 94 31 B S > - 0 0 39 -12,-0.1 4,-0.8 -3,-0.1 -2,-0.0 -0.895 16.2-111.2 175.3 167.8 18.2 33.2 27.1 95 32 B A H > S+ 0 0 72 -2,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.769 113.0 62.1 -84.7 -26.9 16.7 34.8 24.0 96 33 B K H 4 S+ 0 0 170 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.955 109.2 36.0 -57.7 -60.6 16.1 38.0 26.0 97 34 B T H >> S+ 0 0 33 1,-0.2 4,-1.6 2,-0.2 3,-1.6 0.818 102.8 76.3 -72.1 -28.9 19.7 38.7 26.8 98 35 B R H 3X S+ 0 0 65 -4,-0.8 4,-1.8 1,-0.3 3,-0.3 0.893 93.5 50.7 -44.0 -53.5 21.0 37.4 23.5 99 36 B E H 3X S+ 0 0 126 -4,-1.0 4,-0.7 -3,-0.3 -1,-0.3 0.641 104.1 58.5 -63.5 -19.1 19.9 40.5 21.6 100 37 B K H <> S+ 0 0 121 -3,-1.6 4,-1.2 -4,-0.3 3,-0.3 0.871 106.3 48.1 -83.1 -35.2 21.5 42.8 24.1 101 38 B V H X S+ 0 0 0 -4,-1.6 4,-2.0 -3,-0.3 3,-0.5 0.914 103.6 61.5 -65.9 -40.1 24.9 41.3 23.4 102 39 B E H < S+ 0 0 88 -4,-1.8 4,-0.5 1,-0.3 -1,-0.2 0.810 102.2 53.5 -57.8 -27.0 24.2 41.6 19.7 103 40 B A H >X S+ 0 0 45 -4,-0.7 4,-1.4 -3,-0.3 3,-0.5 0.858 105.3 52.5 -72.2 -40.1 24.1 45.3 20.4 104 41 B A H >X>S+ 0 0 0 -4,-1.2 4,-1.6 -3,-0.5 5,-0.5 0.959 105.5 53.6 -65.5 -44.8 27.5 45.4 22.1 105 42 B M H 3<>S+ 0 0 50 -4,-2.0 5,-1.0 1,-0.2 4,-0.3 0.671 108.6 52.8 -51.1 -29.9 29.2 43.6 19.2 106 43 B A H <45S+ 0 0 71 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.807 109.7 44.5 -83.1 -37.7 27.8 46.2 16.9 107 44 B E H <<5S+ 0 0 124 -4,-1.4 -2,-0.2 -3,-0.5 -3,-0.1 0.973 124.8 27.0 -71.2 -63.4 29.1 49.3 18.7 108 45 B L T <5S- 0 0 60 -4,-1.6 -3,-0.2 -37,-0.0 -1,-0.1 0.709 105.5-124.2 -77.8 -22.4 32.6 48.5 19.6 109 46 B N T < - 0 0 103 -5,-0.5 2,-0.5 -4,-0.3 -3,-0.2 0.986 24.9-137.2 72.6 71.2 33.0 46.1 16.7 110 47 B Y < + 0 0 34 -5,-1.0 -1,-0.2 -6,-0.1 -5,-0.1 -0.411 27.1 176.7 -63.5 115.0 34.0 42.9 18.4 111 48 B I - 0 0 77 -2,-0.5 -44,-1.5 -46,-0.2 2,-0.2 -0.978 18.8-154.0-108.6 108.1 36.8 41.0 16.6 112 49 B P - 0 0 54 0, 0.0 2,-0.6 0, 0.0 -44,-0.1 -0.571 21.5-105.6 -68.4 158.7 37.6 38.0 18.7 113 50 B N > - 0 0 80 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.773 16.7-158.3 -89.1 120.7 41.0 36.4 18.6 114 51 B R H > S+ 0 0 206 -2,-0.6 4,-0.9 1,-0.2 -1,-0.1 0.777 95.5 59.1 -66.6 -24.7 41.2 33.1 16.7 115 52 B V H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 3,-0.4 0.935 106.1 45.3 -69.5 -45.5 44.3 32.4 18.7 116 53 B A H > S+ 0 0 40 1,-0.2 4,-1.4 2,-0.2 5,-0.3 0.850 110.3 56.1 -64.7 -35.1 42.5 32.6 22.0 117 54 B Q H < S+ 0 0 112 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.791 113.8 40.2 -69.8 -23.9 39.8 30.6 20.5 118 55 B Q H < S+ 0 0 117 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.884 113.3 49.5 -91.6 -43.0 42.3 27.9 19.7 119 56 B L H < S+ 0 0 74 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.964 125.1 28.6 -62.1 -52.1 44.5 27.8 22.8 120 57 B A S < S+ 0 0 85 -4,-1.4 2,-2.3 -5,-0.2 -1,-0.2 0.630 91.5 104.6 -80.9 -17.3 41.7 27.7 25.3 121 58 B G S S- 0 0 46 -5,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 -0.033 95.7 -92.2 -62.9 36.2 39.3 25.9 22.9 122 59 B K - 0 0 187 -2,-2.3 -1,-0.2 -3,-0.1 2,-0.1 0.688 39.8 -92.0 58.6 143.3 39.9 22.6 24.8 123 60 B Q - 0 0 177 -3,-0.1 2,-0.3 1,-0.1 -4,-0.0 -0.385 47.9 -94.5 -75.4 157.4 42.3 19.8 24.2 124 61 B S 0 0 124 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.571 360.0 360.0 -79.9 132.2 41.5 16.8 22.0 125 62 B L 0 0 237 -2,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.945 360.0 360.0 -86.1 360.0 40.2 13.8 23.8