==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 25-NOV-11 3UTK . COMPND 2 MOLECULE: LIPOPROTEIN OUTS; . SOURCE 2 ORGANISM_SCIENTIFIC: DICKEYA DADANTII; . AUTHOR S.REHMAN,R.W.PICKERSGILL . 190 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 75.8 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 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 1 0 1 0 2 0 1 3 0 0 0 0 0 0 2 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 38 A V 0 0 105 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.8 42.5 20.5 45.1 2 39 A P > - 0 0 73 0, 0.0 4,-1.7 0, 0.0 3,-0.0 -0.225 360.0-114.0 -61.9 155.0 46.0 20.6 43.4 3 40 A A H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.780 114.7 56.6 -64.1 -29.8 47.6 24.0 42.8 4 41 A N H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.945 106.2 47.8 -66.4 -50.4 47.4 23.5 39.0 5 42 A E H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.871 109.4 57.5 -57.6 -36.0 43.6 23.1 39.1 6 43 A Q H X S+ 0 0 17 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.953 107.7 42.8 -61.4 -52.4 43.4 26.1 41.3 7 44 A I H X S+ 0 0 16 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.901 114.1 51.1 -63.6 -44.1 45.1 28.6 39.0 8 45 A S H X S+ 0 0 69 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.849 109.5 52.3 -59.8 -36.7 43.3 27.3 35.9 9 46 A Q H X S+ 0 0 97 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.916 110.9 45.2 -68.7 -44.3 40.0 27.7 37.7 10 47 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.900 111.2 53.3 -65.2 -41.1 40.6 31.3 38.8 11 48 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.861 105.9 54.6 -63.8 -36.5 41.8 32.2 35.3 12 49 A S H X S+ 0 0 70 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.879 108.6 47.9 -62.6 -40.0 38.6 30.8 33.8 13 50 A L H X S+ 0 0 50 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.910 112.7 48.5 -69.0 -41.7 36.5 33.0 36.1 14 51 A V H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.932 112.7 48.5 -62.6 -45.8 38.5 36.1 35.2 15 52 A A H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.898 111.8 48.5 -60.6 -44.8 38.3 35.3 31.5 16 53 A A H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.890 111.5 51.0 -63.8 -40.7 34.5 34.8 31.7 17 54 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.910 110.7 46.8 -63.0 -45.5 34.1 38.0 33.6 18 55 A K H X S+ 0 0 30 -4,-2.5 4,-3.0 2,-0.2 5,-0.4 0.893 109.6 56.1 -63.7 -38.9 36.1 40.0 31.0 19 56 A Y H X>S+ 0 0 8 -4,-2.3 4,-2.1 -5,-0.2 5,-1.2 0.917 108.1 48.0 -57.5 -41.5 34.1 38.3 28.3 20 57 A L H X5S+ 0 0 0 -4,-2.0 6,-2.3 3,-0.2 4,-0.8 0.946 114.7 45.0 -66.0 -45.8 30.9 39.6 29.9 21 58 A R H <5S+ 0 0 53 -4,-2.2 4,-0.2 4,-0.2 -2,-0.2 0.940 126.1 28.3 -63.5 -47.6 32.2 43.1 30.3 22 59 A V H <5S+ 0 0 57 -4,-3.0 -3,-0.2 3,-0.1 -2,-0.2 0.916 132.8 27.7 -85.4 -45.9 33.7 43.5 26.8 23 60 A Q H <5S+ 0 0 50 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.769 127.2 41.3 -89.2 -28.2 31.6 41.2 24.6 24 61 A a S < + 0 0 11 -6,-2.3 3,-1.8 1,-0.2 -1,-0.2 -0.521 5.0 166.0 -77.1 72.3 28.2 44.2 31.0 27 64 A S T 3 + 0 0 37 -2,-2.3 -1,-0.2 1,-0.3 -6,-0.1 0.461 61.7 76.0 -75.0 -0.1 29.5 47.7 31.8 28 65 A D T 3 S+ 0 0 50 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.579 80.6 91.1 -79.7 -12.5 28.5 47.3 35.4 29 66 A L S < S- 0 0 16 -3,-1.8 60,-0.0 1,-0.1 64,-0.0 -0.587 77.1-123.6 -87.1 148.8 31.6 45.1 35.8 30 67 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 -0.076 36.5 -68.7 -84.8-176.7 34.9 46.6 36.8 31 68 A D > - 0 0 97 1,-0.1 4,-2.4 3,-0.1 3,-0.4 -0.099 50.3 -97.3 -72.8 169.6 38.4 46.5 35.2 32 69 A D H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.855 122.8 56.6 -55.6 -39.5 40.7 43.5 34.8 33 70 A G H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 109.7 44.5 -60.7 -42.3 42.6 44.5 37.9 34 71 A T H > S+ 0 0 33 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.895 112.3 51.6 -70.4 -42.1 39.5 44.4 40.1 35 72 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.926 111.6 48.7 -57.5 -45.6 38.3 41.2 38.5 36 73 A L H X S+ 0 0 40 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.907 108.5 52.4 -59.8 -44.7 41.7 39.6 39.3 37 74 A K H X S+ 0 0 118 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.852 107.5 54.0 -62.0 -33.7 41.6 40.9 42.9 38 75 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.903 107.4 49.1 -67.2 -41.3 38.2 39.2 43.2 39 76 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.907 111.0 50.3 -64.6 -41.5 39.6 35.9 42.0 40 77 A V H X S+ 0 0 40 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.927 109.8 51.2 -62.1 -42.3 42.4 36.2 44.5 41 78 A N H X S+ 0 0 66 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.900 108.4 50.5 -62.6 -43.7 40.0 37.0 47.3 42 79 A V H X S+ 0 0 30 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.922 109.3 53.0 -57.5 -43.6 37.8 33.9 46.5 43 80 A A H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 4,-0.4 0.912 108.7 49.0 -58.1 -44.0 41.1 31.9 46.6 44 81 A V H ><5S+ 0 0 87 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.913 108.8 53.0 -62.6 -40.8 41.9 33.2 50.0 45 82 A Q H 3<5S+ 0 0 155 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.744 106.9 53.0 -68.2 -23.0 38.3 32.4 51.2 46 83 A K T 3<5S- 0 0 122 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.510 118.3-113.7 -86.2 -5.6 38.8 28.8 50.0 47 84 A G T < 5 + 0 0 68 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.630 64.1 153.2 82.3 16.3 42.0 28.5 52.0 48 85 A W < - 0 0 34 -5,-2.4 2,-0.9 -6,-0.2 -1,-0.2 -0.391 53.7-105.8 -80.2 155.7 44.2 28.3 48.9 49 86 A D > - 0 0 97 1,-0.1 3,-1.0 -2,-0.1 -1,-0.1 -0.715 30.3-173.8 -82.9 105.9 47.9 29.3 48.7 50 87 A T T 3 S+ 0 0 45 -2,-0.9 3,-0.4 1,-0.2 -1,-0.1 0.290 74.1 77.9 -86.9 10.4 47.9 32.6 46.7 51 88 A G T 3 S+ 0 0 44 1,-0.2 3,-0.5 2,-0.1 -1,-0.2 0.773 89.2 54.8 -81.5 -29.1 51.7 32.6 46.7 52 89 A R S < S+ 0 0 145 -3,-1.0 3,-0.4 1,-0.2 -1,-0.2 0.215 82.8 94.0 -89.8 15.9 51.7 30.0 43.9 53 90 A Y > + 0 0 11 -3,-0.4 3,-1.2 1,-0.2 -1,-0.2 0.319 37.5 126.4 -95.9 7.9 49.5 32.0 41.6 54 91 A Q T 3 S+ 0 0 158 -3,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.735 71.5 56.3 -35.7 -40.5 52.3 33.8 39.6 55 92 A S T 3 S+ 0 0 69 -3,-0.4 4,-0.4 1,-0.2 -1,-0.3 -0.082 80.5 100.8 -91.5 37.4 50.8 32.7 36.3 56 93 A L S <> S+ 0 0 4 -3,-1.2 4,-2.1 -2,-0.3 -1,-0.2 0.930 74.9 43.8 -90.3 -51.0 47.3 34.1 36.8 57 94 A P H > S+ 0 0 69 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.934 118.2 42.4 -65.3 -47.7 46.9 37.5 34.9 58 95 A Q H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 114.3 52.4 -63.0 -40.5 48.5 36.3 31.6 59 96 A L H > S+ 0 0 47 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.904 107.3 53.5 -61.7 -39.5 46.7 33.0 31.8 60 97 A S H X S+ 0 0 6 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.910 110.0 46.2 -60.5 -45.6 43.4 34.9 32.2 61 98 A E H X S+ 0 0 59 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.887 111.0 53.0 -66.4 -40.0 44.0 37.0 29.1 62 99 A N H X S+ 0 0 89 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.910 110.2 47.1 -61.2 -43.6 45.1 33.9 27.1 63 100 A L H X S+ 0 0 68 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.846 110.3 53.4 -66.9 -35.5 41.8 32.1 28.1 64 101 A Y H X S+ 0 0 11 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.944 108.9 48.4 -63.1 -47.2 39.8 35.2 27.2 65 102 A Q H X S+ 0 0 77 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.872 109.5 54.5 -60.7 -34.8 41.5 35.3 23.8 66 103 A G H X S+ 0 0 39 -4,-1.8 4,-0.6 1,-0.2 3,-0.5 0.896 104.0 54.2 -64.1 -42.1 40.6 31.6 23.4 67 104 A L H >< S+ 0 0 29 -4,-2.1 3,-1.2 1,-0.2 5,-0.4 0.919 103.1 56.6 -56.8 -46.7 36.9 32.3 24.2 68 105 A L H 3< S+ 0 0 66 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.824 117.3 34.6 -55.6 -32.2 36.8 34.9 21.4 69 106 A K H 3< S+ 0 0 176 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.382 87.8 98.8-105.7 3.7 38.0 32.2 18.9 70 107 A D S << S- 0 0 78 -3,-1.2 -1,-0.1 -4,-0.6 -2,-0.1 0.501 92.7-111.7 -81.7 -1.4 36.4 29.0 20.2 71 108 A G S S+ 0 0 69 1,-0.3 -1,-0.1 -3,-0.2 -3,-0.1 0.411 73.2 130.8 91.6 -2.2 33.4 29.0 17.8 72 109 A T - 0 0 53 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.733 64.5-114.3 -83.6 124.8 30.6 29.7 20.3 73 110 A P > - 0 0 82 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.283 21.9-119.4 -59.8 147.7 28.4 32.5 19.0 74 111 A K H > S+ 0 0 115 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.901 111.9 52.0 -54.0 -48.4 28.5 35.6 21.1 75 112 A A H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 111.9 47.6 -58.4 -40.0 24.8 35.6 21.9 76 113 A T H > S+ 0 0 81 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.939 113.9 45.4 -65.1 -51.4 25.0 32.0 23.1 77 114 A Q H X S+ 0 0 22 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.917 113.9 49.5 -59.6 -44.8 28.1 32.6 25.2 78 115 A a H X S+ 0 0 6 -4,-3.1 4,-2.6 -5,-0.2 5,-0.2 0.914 110.5 49.4 -62.4 -44.7 26.7 35.8 26.7 79 116 A S H X S+ 0 0 37 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.915 113.9 47.4 -60.6 -41.9 23.4 34.1 27.6 80 117 A S H X S+ 0 0 51 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.943 114.6 43.4 -66.0 -50.1 25.3 31.2 29.2 81 118 A F H X S+ 0 0 29 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.895 112.3 53.9 -63.8 -39.8 27.8 33.4 31.3 82 119 A N H < S+ 0 0 1 -4,-2.6 4,-0.2 -5,-0.3 -1,-0.2 0.875 111.5 47.5 -62.4 -34.3 24.9 35.8 32.3 83 120 A R H < S+ 0 0 171 -4,-1.6 3,-0.2 -5,-0.2 -1,-0.2 0.893 123.1 28.4 -71.1 -39.8 23.0 32.8 33.6 84 121 A T H < S+ 0 0 74 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.577 102.5 71.8-105.1 -13.6 25.8 31.1 35.6 85 122 A M >X + 0 0 13 -4,-2.2 4,-2.4 1,-0.2 3,-0.8 0.446 60.0 109.9 -92.1 1.8 28.2 33.7 36.8 86 123 A T H 3> S+ 0 0 37 1,-0.2 4,-2.8 -4,-0.2 5,-0.2 0.838 74.6 53.6 -46.9 -47.9 26.1 35.4 39.5 87 124 A P H 3> S+ 0 0 98 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.900 113.5 42.8 -59.5 -38.0 28.1 34.1 42.5 88 125 A F H <> S+ 0 0 13 -3,-0.8 4,-1.3 2,-0.2 -2,-0.2 0.907 113.9 50.2 -74.2 -40.4 31.4 35.4 41.2 89 126 A L H X S+ 0 0 15 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.878 108.6 54.2 -63.9 -35.8 29.9 38.7 40.0 90 127 A D H >X S+ 0 0 58 -4,-2.8 3,-0.9 -5,-0.3 4,-0.8 0.904 105.3 53.0 -61.0 -41.6 28.3 39.1 43.5 91 128 A A H 3X S+ 0 0 23 -4,-1.5 4,-0.5 1,-0.2 3,-0.3 0.813 99.8 64.7 -62.5 -31.1 31.8 38.6 45.1 92 129 A M H >< S+ 0 0 11 -4,-1.3 3,-0.6 1,-0.2 -1,-0.2 0.781 92.2 61.5 -65.7 -29.5 33.0 41.4 42.8 93 130 A R H << S+ 0 0 135 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.905 98.1 56.1 -62.5 -41.6 30.8 44.0 44.6 94 131 A T H 3< 0 0 116 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.689 360.0 360.0 -65.8 -16.5 32.6 43.4 47.9 95 132 A V << 0 0 52 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.775 360.0 360.0 -93.4 360.0 35.8 44.3 46.1 96 !* 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 97 38 B V 0 0 105 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.4 4.4 62.3 42.9 98 39 B P > - 0 0 81 0, 0.0 4,-2.0 0, 0.0 3,-0.2 -0.133 360.0-116.4 -57.8 151.5 1.3 62.1 40.6 99 40 B A H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.918 115.2 50.6 -56.4 -50.1 -0.2 58.7 39.7 100 41 B N H > S+ 0 0 114 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.844 110.3 51.6 -59.1 -33.6 0.5 59.0 36.0 101 42 B E H > S+ 0 0 84 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.853 108.0 51.7 -71.5 -36.5 4.1 59.9 36.8 102 43 B Q H X S+ 0 0 19 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.940 110.7 47.8 -61.7 -48.9 4.5 56.9 39.1 103 44 B I H X S+ 0 0 14 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.884 110.4 52.0 -62.8 -41.2 3.2 54.6 36.3 104 45 B S H X S+ 0 0 53 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.910 110.8 47.9 -59.3 -45.5 5.5 56.1 33.7 105 46 B Q H X S+ 0 0 83 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.915 115.4 43.6 -65.4 -44.2 8.5 55.6 35.9 106 47 B L H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.883 111.2 53.5 -69.8 -39.7 7.7 52.0 36.8 107 48 B A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.863 106.9 54.0 -62.4 -36.1 6.8 51.1 33.2 108 49 B S H X S+ 0 0 68 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.869 109.0 47.5 -65.6 -37.6 10.1 52.4 32.1 109 50 B L H X S+ 0 0 53 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.896 112.9 48.8 -70.5 -40.0 11.9 50.2 34.5 110 51 B V H X S+ 0 0 10 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 112.1 48.4 -64.9 -44.0 9.9 47.2 33.4 111 52 B A H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.897 111.1 50.4 -63.0 -41.5 10.5 47.9 29.7 112 53 B A H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.859 110.2 50.8 -66.7 -35.6 14.3 48.3 30.4 113 54 B S H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.907 110.7 47.0 -69.2 -43.8 14.4 45.0 32.2 114 55 B K H X S+ 0 0 30 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.903 110.2 54.8 -63.2 -39.7 12.6 43.1 29.5 115 56 B Y H X>S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 5,-1.0 0.946 108.6 48.5 -57.9 -45.4 15.0 44.8 27.0 116 57 B L H X5S+ 0 0 0 -4,-2.3 6,-2.1 3,-0.2 4,-0.9 0.928 114.8 45.0 -59.7 -45.9 17.9 43.5 29.0 117 58 B R H <5S+ 0 0 60 -4,-2.3 4,-0.3 4,-0.2 -2,-0.2 0.939 125.9 28.0 -64.9 -48.2 16.5 39.9 29.1 118 59 B V H <5S+ 0 0 59 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.896 132.4 29.2 -85.8 -42.8 15.4 39.7 25.5 119 60 B Q H <5S+ 0 0 49 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.1 0.732 126.3 40.7 -91.7 -23.2 17.8 41.9 23.6 120 61 B b S < + 0 0 11 -6,-2.1 3,-2.0 1,-0.2 -1,-0.2 -0.471 5.2 165.3 -78.8 70.5 20.4 38.8 30.5 123 64 B S T 3 + 0 0 43 -2,-2.4 -1,-0.2 1,-0.3 -40,-0.1 0.531 63.2 73.7 -67.9 -8.1 19.1 35.2 31.1 124 65 B D T 3 S+ 0 0 54 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.548 81.5 91.5 -79.6 -8.8 19.5 35.7 34.8 125 66 B L S < S- 0 0 16 -3,-2.0 60,-0.0 1,-0.1 6,-0.0 -0.631 76.0-126.3 -90.0 145.9 16.4 37.9 34.7 126 67 B P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -9,-0.1 -0.080 35.6 -67.6 -85.7-173.5 12.9 36.5 35.3 127 68 B D > - 0 0 97 1,-0.1 4,-2.5 4,-0.0 3,-0.5 -0.088 49.3 -98.4 -74.2 169.7 9.7 36.6 33.2 128 69 B D H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.885 121.8 55.9 -55.5 -41.7 7.5 39.6 32.5 129 70 B G H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 110.7 44.4 -62.3 -37.4 5.1 38.7 35.3 130 71 B T H > S+ 0 0 39 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.882 110.8 53.2 -74.4 -40.6 7.9 38.7 37.8 131 72 B I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.933 111.8 47.3 -58.4 -44.5 9.4 41.9 36.5 132 73 B L H X S+ 0 0 42 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.891 108.5 54.1 -61.5 -41.9 6.0 43.5 36.9 133 74 B K H X S+ 0 0 125 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.860 107.7 51.9 -62.1 -34.2 5.6 42.0 40.4 134 75 B T H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.902 106.2 52.6 -68.5 -42.5 9.0 43.6 41.3 135 76 B A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.928 110.1 49.1 -58.4 -45.1 7.8 47.0 40.1 136 77 B V H X S+ 0 0 42 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.915 110.7 50.1 -60.8 -43.4 4.7 46.8 42.3 137 78 B N H X S+ 0 0 66 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.882 109.1 51.1 -65.0 -38.7 6.8 45.8 45.3 138 79 B V H X S+ 0 0 43 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.897 109.9 51.2 -62.9 -40.4 9.2 48.8 44.8 139 80 B A H <>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 4,-0.4 0.871 104.4 57.0 -63.1 -39.7 6.1 51.1 44.6 140 81 B V H ><5S+ 0 0 72 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.894 104.2 52.7 -61.2 -37.8 4.8 49.7 47.8 141 82 B Q H 3<5S+ 0 0 163 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.773 104.4 55.5 -70.4 -25.2 8.0 50.6 49.6 142 83 B K T 3<5S- 0 0 127 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.507 117.9-114.9 -81.8 -4.8 7.7 54.2 48.3 143 84 B G T < 5 + 0 0 67 -3,-1.2 -3,-0.2 -4,-0.4 2,-0.1 0.709 63.5 155.2 78.8 22.0 4.3 54.3 49.9 144 85 B W < - 0 0 39 -5,-2.2 2,-1.2 1,-0.1 -1,-0.2 -0.449 52.9-108.6 -83.7 155.2 2.6 54.7 46.5 145 86 B D > - 0 0 98 1,-0.2 3,-1.4 -2,-0.1 -1,-0.1 -0.686 32.2-177.9 -86.3 95.0 -1.0 53.6 45.7 146 87 B T G > + 0 0 50 -2,-1.2 3,-0.8 1,-0.3 -1,-0.2 0.433 69.9 82.4 -76.1 2.4 -0.6 50.5 43.6 147 88 B G G 3 S+ 0 0 46 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.529 85.7 57.5 -80.8 -6.0 -4.3 50.3 43.1 148 89 B R G < S+ 0 0 155 -3,-1.4 3,-0.4 1,-0.2 -1,-0.2 0.125 77.8 97.4-109.0 21.1 -4.2 52.9 40.4 149 90 B Y X + 0 0 16 -3,-0.8 3,-2.4 1,-0.2 -1,-0.2 0.036 34.7 127.2-101.9 23.6 -1.8 50.9 38.2 150 91 B Q T 3 S+ 0 0 155 1,-0.3 4,-0.4 -3,-0.2 -1,-0.2 0.859 77.8 47.8 -46.6 -40.5 -4.3 49.4 35.8 151 92 B S T 3> S+ 0 0 62 -3,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.454 84.6 98.3 -84.2 -0.7 -2.4 50.7 32.8 152 93 B L H <> S+ 0 0 2 -3,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.902 81.7 44.2 -60.5 -49.8 1.1 49.5 34.0 153 94 B P H > S+ 0 0 64 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.954 116.1 45.7 -63.2 -49.5 1.5 46.2 32.1 154 95 B Q H > S+ 0 0 118 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.908 113.8 49.6 -59.8 -43.4 0.2 47.6 28.7 155 96 B L H X S+ 0 0 49 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.893 107.6 55.1 -61.9 -40.2 2.3 50.7 29.0 156 97 B S H X S+ 0 0 6 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.909 110.0 45.7 -59.7 -43.1 5.4 48.6 29.8 157 98 B E H X S+ 0 0 58 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.920 111.9 50.9 -69.1 -43.8 5.0 46.6 26.7 158 99 B N H X S+ 0 0 88 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.925 111.6 48.2 -57.3 -45.1 4.4 49.7 24.5 159 100 B L H X S+ 0 0 69 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.868 109.9 53.0 -64.1 -36.9 7.5 51.2 26.0 160 101 B Y H X S+ 0 0 13 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.933 109.8 46.9 -62.7 -45.9 9.5 48.0 25.3 161 102 B Q H X S+ 0 0 81 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.859 109.6 55.7 -64.5 -35.2 8.3 48.0 21.6 162 103 B G H >X S+ 0 0 40 -4,-2.1 4,-0.6 -5,-0.2 3,-0.6 0.895 103.3 54.8 -62.0 -42.2 9.3 51.7 21.5 163 104 B L H >< S+ 0 0 29 -4,-2.0 3,-1.1 1,-0.2 5,-0.3 0.899 102.4 57.1 -56.2 -43.2 12.8 50.8 22.6 164 105 B L H 3< S+ 0 0 58 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.815 117.2 33.6 -60.3 -30.4 13.3 48.3 19.8 165 106 B K H << S+ 0 0 162 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.340 87.0 101.4-109.0 6.8 12.6 51.0 17.2 166 107 B D S << S- 0 0 80 -3,-1.1 -1,-0.1 -4,-0.6 -2,-0.1 0.536 91.6-111.7 -81.1 -3.1 14.0 54.1 18.8 167 108 B G S S+ 0 0 71 1,-0.3 -1,-0.1 -4,-0.2 -3,-0.1 0.430 74.0 130.6 93.3 -1.7 17.2 54.2 16.7 168 109 B T - 0 0 50 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.760 64.3-115.5 -84.7 122.8 19.6 53.4 19.6 169 110 B P > - 0 0 84 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.255 21.9-119.7 -56.6 147.1 22.0 50.6 18.5 170 111 B K H > S+ 0 0 115 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.900 111.2 52.4 -55.8 -48.3 21.5 47.4 20.6 171 112 B A H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 112.0 47.3 -57.9 -39.2 25.1 47.3 22.0 172 113 B T H > S+ 0 0 81 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.947 114.4 45.0 -66.6 -50.1 24.8 50.9 23.1 173 114 B Q H X S+ 0 0 21 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.913 113.5 50.5 -62.1 -44.0 21.4 50.4 24.8 174 115 B b H X S+ 0 0 6 -4,-3.2 4,-2.5 -5,-0.2 5,-0.2 0.916 109.9 50.1 -60.0 -44.0 22.6 47.2 26.4 175 116 B S H X S+ 0 0 35 -4,-2.1 4,-1.5 -5,-0.3 -148,-0.2 0.921 113.1 46.8 -60.6 -43.2 25.7 48.8 27.8 176 117 B S H X S+ 0 0 51 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.941 114.3 44.8 -65.3 -50.9 23.7 51.7 29.3 177 118 B F H X S+ 0 0 27 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.921 111.5 53.2 -61.3 -45.5 21.0 49.6 30.9 178 119 B N H < S+ 0 0 0 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.850 112.4 47.0 -58.3 -33.0 23.5 47.1 32.3 179 120 B R H < S+ 0 0 161 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.879 122.9 29.7 -75.8 -37.3 25.3 50.0 33.9 180 121 B T H < S+ 0 0 72 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.2 0.627 104.6 69.3-102.8 -15.6 22.4 51.8 35.4 181 122 B M >X + 0 0 12 -4,-2.5 4,-2.4 1,-0.2 3,-0.9 0.492 61.7 108.0 -91.2 -1.8 19.8 49.2 36.2 182 123 B T H 3> S+ 0 0 32 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.831 75.6 54.0 -45.0 -48.2 21.5 47.4 39.1 183 124 B P H 3> S+ 0 0 96 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.902 114.0 41.4 -59.6 -39.0 19.2 48.7 41.9 184 125 B F H <> S+ 0 0 13 -3,-0.9 4,-1.2 2,-0.2 -2,-0.2 0.900 114.3 51.7 -74.1 -40.3 16.1 47.5 40.2 185 126 B L H X S+ 0 0 13 -4,-2.4 4,-0.8 1,-0.2 3,-0.3 0.883 107.2 54.2 -61.1 -38.5 17.7 44.2 39.1 186 127 B D H >< S+ 0 0 51 -4,-2.8 3,-0.8 -5,-0.3 -1,-0.2 0.874 103.8 55.9 -61.9 -37.3 18.7 43.6 42.8 187 128 B A H >< S+ 0 0 22 -4,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.806 97.4 62.8 -67.3 -29.6 15.1 44.1 43.9 188 129 B M H >< S+ 0 0 11 -4,-1.2 3,-1.3 -3,-0.3 -1,-0.3 0.794 94.0 63.4 -63.1 -28.8 14.0 41.3 41.5 189 130 B R T << S+ 0 0 140 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.595 97.7 56.2 -71.4 -10.4 16.2 39.0 43.6 190 131 B T T < 0 0 114 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.290 360.0 360.0-100.1 8.9 13.9 39.7 46.5 191 132 B V < 0 0 59 -3,-1.3 -2,-0.2 -4,-0.0 -3,-0.1 0.685 360.0 360.0-124.5 360.0 10.8 38.6 44.7