==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 10-MAY-07 2V08 . COMPND 2 MOLECULE: CYTOCHROME C6; . SOURCE 2 ORGANISM_SCIENTIFIC: PHORMIDIUM LAMINOSUM; . AUTHOR J.A.R.WORRALL,B.G.SCHLARB-RIDLEY,T.REDA,M.J.MARCAIDA, . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.4 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.0 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 2 0 2 0 0 0 3 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 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 3 A D > 0 0 126 0, 0.0 4,-2.1 0, 0.0 74,-0.2 0.000 360.0 360.0 360.0 159.5 7.7 8.2 -13.3 2 4 A L H > + 0 0 67 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.712 360.0 58.5 -74.4 -30.6 10.5 10.7 -12.4 3 5 A A H > S+ 0 0 74 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.945 113.2 38.3 -66.9 -50.6 8.2 13.7 -11.5 4 6 A T H > S+ 0 0 45 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.935 117.3 54.5 -60.2 -42.2 6.4 11.8 -8.7 5 7 A G H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.934 108.2 48.7 -49.4 -47.0 9.8 10.3 -8.0 6 8 A A H X S+ 0 0 33 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.845 112.6 46.9 -68.2 -37.2 11.2 13.8 -7.7 7 9 A K H X S+ 0 0 166 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.920 112.5 48.9 -71.3 -48.3 8.4 14.9 -5.4 8 10 A V H X S+ 0 0 5 -4,-3.0 4,-2.4 2,-0.2 5,-0.3 0.945 112.4 49.6 -54.9 -47.4 8.7 11.8 -3.2 9 11 A F H X>S+ 0 0 10 -4,-2.8 4,-2.9 -5,-0.3 5,-2.0 0.951 110.8 49.2 -59.9 -46.4 12.6 12.3 -2.9 10 12 A S H <5S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.883 117.3 40.8 -58.0 -41.8 12.2 16.0 -2.0 11 13 A A H <5S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.761 133.2 16.2 -82.5 -26.0 9.7 15.2 0.7 12 14 A N H <5S+ 0 0 55 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.550 127.9 31.3-123.9 -15.3 11.3 12.0 2.2 13 15 A C T >X5S+ 0 0 22 -4,-2.9 4,-2.2 -5,-0.3 3,-0.9 0.647 92.1 79.7-126.2 -24.2 14.9 11.5 1.2 14 16 A A H 3>< S+ 0 0 24 -4,-2.2 3,-2.6 5,-0.2 4,-0.2 0.072 71.0 162.9-122.2 28.7 20.6 12.3 0.8 18 20 A A G >< S+ 0 0 50 -4,-1.2 3,-1.2 1,-0.3 -4,-0.1 -0.182 78.8 0.4 -56.5 128.1 20.5 15.9 -0.5 19 21 A G G 3 S- 0 0 55 1,-0.2 -1,-0.3 2,-0.0 -5,-0.0 0.685 134.2 -58.8 71.3 13.0 22.2 16.1 -3.9 20 22 A G G < S+ 0 0 2 -3,-2.6 10,-3.0 1,-0.2 11,-0.5 0.483 104.2 126.7 92.5 3.8 23.1 12.4 -3.8 21 23 A I < - 0 0 74 -3,-1.2 2,-0.3 -4,-0.2 -1,-0.2 -0.165 56.5-133.5 -80.5-179.7 25.1 12.4 -0.6 22 24 A N - 0 0 27 4,-0.3 -5,-0.2 7,-0.1 6,-0.1 -0.851 17.5-176.8-137.6 105.6 24.6 10.2 2.5 23 25 A L S S+ 0 0 65 -7,-2.4 3,-0.2 -2,-0.3 -6,-0.1 0.715 83.1 42.9 -71.4 -25.4 24.8 12.3 5.7 24 26 A V S S+ 0 0 53 -8,-0.3 2,-0.5 1,-0.3 -1,-0.2 0.892 128.0 20.5 -94.2 -44.1 24.5 9.3 8.0 25 27 A N S > S- 0 0 66 3,-0.1 3,-1.5 1,-0.1 -1,-0.3 -0.902 78.5-157.0-130.9 93.6 26.8 6.8 6.5 26 28 A A T 3 S+ 0 0 74 -2,-0.5 -4,-0.3 1,-0.3 3,-0.2 0.747 83.3 49.8 -55.0 -37.7 29.1 8.8 4.3 27 29 A E T 3 S+ 0 0 121 1,-0.2 2,-1.6 -6,-0.1 -1,-0.3 0.753 92.3 79.1 -74.2 -22.7 30.4 6.1 1.8 28 30 A K < + 0 0 76 -3,-1.5 -1,-0.2 -6,-0.1 -3,-0.1 -0.341 68.0 156.0 -85.6 57.7 26.8 4.9 1.0 29 31 A T - 0 0 33 -2,-1.6 -8,-0.2 -3,-0.2 -7,-0.1 -0.076 54.6-118.9 -72.1 173.9 26.0 7.8 -1.4 30 32 A L S S+ 0 0 18 -10,-3.0 -9,-0.1 -13,-0.1 54,-0.1 0.157 72.3 125.4-100.4 11.4 23.4 7.7 -4.3 31 33 A K S > S- 0 0 121 -11,-0.5 4,-2.3 1,-0.1 3,-0.4 -0.437 74.8-114.6 -70.4 154.0 26.2 8.4 -6.9 32 34 A K H > S+ 0 0 72 48,-0.6 4,-2.1 1,-0.3 5,-0.2 0.901 114.1 52.8 -62.6 -42.5 26.3 5.9 -9.7 33 35 A E H > S+ 0 0 131 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.859 111.5 44.4 -62.9 -37.6 29.7 4.5 -8.7 34 36 A A H > S+ 0 0 9 -3,-0.4 4,-2.2 2,-0.2 6,-0.2 0.887 110.8 55.0 -74.2 -37.1 28.7 3.9 -5.0 35 37 A L H <>S+ 0 0 11 -4,-2.3 5,-3.1 1,-0.2 6,-0.9 0.869 112.9 43.2 -61.3 -38.2 25.4 2.3 -6.2 36 38 A E H ><5S+ 0 0 93 -4,-2.1 3,-0.9 4,-0.2 -1,-0.2 0.890 112.3 53.4 -68.9 -41.6 27.4 -0.0 -8.3 37 39 A K H 3<5S+ 0 0 144 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.827 115.6 38.1 -68.9 -33.2 30.0 -0.7 -5.6 38 40 A F T 3<5S- 0 0 78 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.305 114.0-113.0-100.5 6.3 27.4 -1.7 -3.0 39 41 A G T < 5S+ 0 0 45 -3,-0.9 -3,-0.2 -4,-0.2 -4,-0.1 0.813 82.5 121.8 67.4 35.9 25.2 -3.6 -5.5 40 42 A M < + 0 0 48 -5,-3.1 2,-0.9 -6,-0.2 -4,-0.2 0.198 30.5 112.5-112.6 14.2 22.3 -1.1 -5.2 41 43 A N + 0 0 80 -6,-0.9 2,-0.3 -5,-0.1 -1,-0.1 -0.205 61.0 78.0 -83.6 43.4 22.1 -0.1 -8.9 42 44 A S S > S- 0 0 43 -2,-0.9 4,-2.5 1,-0.1 5,-0.2 -0.991 81.3-120.1-146.9 154.1 18.7 -1.6 -9.6 43 45 A I H > S+ 0 0 93 -2,-0.3 4,-3.6 1,-0.2 5,-0.2 0.912 116.2 48.4 -55.4 -45.3 15.1 -0.8 -9.1 44 46 A V H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 110.5 50.2 -67.8 -43.1 14.6 -4.0 -7.1 45 47 A A H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.937 117.9 40.2 -55.8 -49.5 17.7 -3.4 -4.9 46 48 A I H X S+ 0 0 15 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.939 113.2 52.4 -70.1 -46.9 16.5 0.2 -4.2 47 49 A T H X S+ 0 0 31 -4,-3.6 4,-2.7 -5,-0.2 -2,-0.2 0.929 110.6 50.2 -56.9 -41.6 12.8 -0.6 -3.8 48 50 A T H X S+ 0 0 72 -4,-2.4 4,-2.5 -5,-0.2 5,-0.4 0.930 113.2 44.2 -62.3 -48.9 13.7 -3.4 -1.2 49 51 A Q H X S+ 0 0 54 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.914 115.0 47.9 -63.1 -45.6 15.9 -1.0 0.8 50 52 A V H < S+ 0 0 14 -4,-3.1 10,-2.5 2,-0.2 11,-0.3 0.948 115.3 47.0 -58.7 -46.2 13.4 1.8 0.8 51 53 A T H < S+ 0 0 32 -4,-2.7 10,-2.0 -5,-0.3 -2,-0.2 0.937 128.5 20.8 -59.6 -49.6 10.6 -0.6 1.7 52 54 A N H < S- 0 0 94 -4,-2.5 7,-0.3 7,-0.2 -3,-0.2 0.689 97.7-140.4-101.1 -20.4 12.3 -2.4 4.6 53 55 A G < - 0 0 20 -4,-2.2 2,-0.3 -5,-0.4 6,-0.1 -0.076 4.1-130.0 81.4 170.3 15.1 -0.0 5.7 54 56 A K B > -A 57 0A 114 3,-2.0 3,-2.9 1,-0.2 -1,-0.1 -0.836 56.1 -49.5-162.5 121.6 18.6 -0.9 6.7 55 57 A A T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -2,-0.3 45,-0.1 -0.175 131.1 1.0 52.2-122.6 20.5 0.3 9.8 56 58 A G T 3 S+ 0 0 35 -3,-0.1 -1,-0.3 44,-0.1 44,-0.1 0.545 114.1 95.0 -72.4 -6.4 20.1 4.2 9.9 57 59 A M B < S-A 54 0A 41 -3,-2.9 -3,-2.0 1,-0.0 0, 0.0 -0.822 78.8-125.9 -86.2 122.8 18.0 4.2 6.8 58 60 A P - 0 0 58 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.174 15.2-114.2 -62.9 154.2 14.2 4.1 7.7 59 61 A A - 0 0 48 -7,-0.3 -8,-0.2 -6,-0.1 -7,-0.2 -0.720 22.6-167.2 -81.1 133.4 11.7 1.6 6.4 60 62 A F >> + 0 0 13 -10,-2.5 3,-2.5 -2,-0.4 4,-2.1 0.400 40.6 132.0-105.2 1.8 9.1 3.4 4.2 61 63 A K T 34 S+ 0 0 145 -10,-2.0 4,-0.1 -11,-0.3 -2,-0.1 -0.238 81.4 10.2 -51.9 136.6 6.7 0.5 4.1 62 64 A G T 34 S+ 0 0 82 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.362 121.9 71.0 70.5 -7.7 3.2 1.8 4.8 63 65 A R T <4 S+ 0 0 72 -3,-2.5 2,-0.4 1,-0.4 -2,-0.2 0.756 104.3 32.4-102.4 -36.9 4.4 5.5 4.6 64 66 A L S < S- 0 0 13 -4,-2.1 -2,-0.5 -13,-0.1 -1,-0.4 -0.940 90.2-117.3-116.9 142.0 4.9 5.6 0.9 65 67 A T > - 0 0 72 -2,-0.4 4,-2.1 -3,-0.1 5,-0.2 -0.299 30.9-107.7 -70.9 163.8 2.8 3.5 -1.5 66 68 A D H > S+ 0 0 117 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.838 122.8 53.5 -60.3 -36.7 4.5 0.9 -3.6 67 69 A D H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.832 107.6 50.0 -64.2 -39.5 4.1 3.2 -6.7 68 70 A Q H > S+ 0 0 63 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.885 112.5 47.6 -64.1 -40.4 5.8 6.1 -4.8 69 71 A I H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.926 111.9 49.3 -67.2 -47.0 8.7 3.8 -3.9 70 72 A A H X S+ 0 0 42 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.917 113.1 48.3 -51.8 -46.5 9.0 2.5 -7.4 71 73 A A H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.882 111.8 47.8 -68.3 -39.9 9.0 6.1 -8.7 72 74 A V H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.911 110.1 52.4 -68.8 -40.5 11.6 7.3 -6.2 73 75 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.917 110.9 48.2 -56.8 -47.4 13.9 4.3 -7.0 74 76 A A H X S+ 0 0 32 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.912 111.0 50.5 -58.8 -45.6 13.6 5.2 -10.7 75 77 A Y H X S+ 0 0 41 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.917 108.7 51.9 -60.1 -46.2 14.4 8.9 -9.9 76 78 A V H X S+ 0 0 10 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.960 112.1 45.9 -53.0 -54.7 17.5 7.9 -7.8 77 79 A L H X S+ 0 0 28 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.933 115.0 47.6 -58.5 -44.1 18.8 5.7 -10.7 78 80 A D H X S+ 0 0 42 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.920 112.8 46.9 -61.7 -48.9 18.1 8.5 -13.2 79 81 A Q H X>S+ 0 0 40 -4,-3.2 5,-3.5 1,-0.2 4,-1.5 0.897 110.1 55.0 -60.4 -42.5 19.7 11.3 -11.1 80 82 A A H <5S+ 0 0 6 -4,-2.7 -48,-0.6 -5,-0.2 -1,-0.2 0.888 108.7 48.4 -54.3 -44.3 22.8 9.0 -10.5 81 83 A E H <5S+ 0 0 117 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.852 112.1 47.7 -66.5 -37.6 23.2 8.6 -14.3 82 84 A K H <5S- 0 0 138 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.654 119.5-110.4 -81.2 -17.2 22.9 12.4 -14.9 83 85 A G T <5 0 0 56 -4,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.712 360.0 360.0 102.4 26.8 25.4 13.0 -12.1 84 86 A W < 0 0 71 -5,-3.5 -1,-0.2 -8,-0.1 -4,-0.1 0.786 360.0 360.0 28.9 360.0 23.0 14.6 -9.7 85 !* 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 86 3 B D 0 0 137 0, 0.0 4,-0.2 0, 0.0 74,-0.2 0.000 360.0 360.0 360.0-144.2 8.3 5.5 30.3 87 4 B L > + 0 0 89 2,-0.2 4,-1.7 1,-0.1 3,-0.5 0.882 360.0 48.9 -93.3 -43.3 12.1 6.1 30.1 88 5 B A H > S+ 0 0 63 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.796 111.3 52.4 -69.9 -28.3 13.6 2.8 29.0 89 6 B T H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.636 106.8 53.2 -78.6 -18.3 11.0 2.6 26.2 90 7 B G H > S+ 0 0 0 -3,-0.5 4,-3.0 -4,-0.2 5,-0.2 0.850 105.0 54.2 -79.3 -39.6 12.1 6.1 25.0 91 8 B A H X S+ 0 0 34 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.855 113.2 43.6 -59.5 -40.4 15.7 5.0 24.9 92 9 B K H X S+ 0 0 162 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.918 115.1 46.8 -71.2 -48.3 14.6 2.1 22.6 93 10 B V H X S+ 0 0 5 -4,-1.9 4,-1.7 1,-0.2 5,-0.4 0.878 112.0 52.2 -60.8 -38.6 12.3 4.3 20.4 94 11 B F H X>S+ 0 0 12 -4,-3.0 4,-1.9 1,-0.2 5,-1.8 0.892 108.2 51.1 -66.0 -38.6 15.0 6.9 20.1 95 12 B S H <5S+ 0 0 88 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.818 115.2 42.9 -66.5 -29.6 17.6 4.3 19.0 96 13 B A H <5S+ 0 0 81 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.737 131.5 13.7 -90.5 -26.1 15.2 3.0 16.3 97 14 B N H <5S+ 0 0 54 -4,-1.7 -3,-0.2 -5,-0.1 -2,-0.2 0.555 129.1 34.5-128.9 -19.4 13.8 6.2 14.8 98 15 B C T >X5S+ 0 0 22 -4,-1.9 4,-2.4 -5,-0.4 3,-0.9 0.660 90.6 80.6-118.4 -27.8 15.8 9.3 15.9 99 16 B A H 3>< S+ 0 0 23 -4,-2.4 3,-2.1 5,-0.2 -2,-0.2 0.031 71.3 169.0-123.7 29.9 20.2 13.1 16.3 103 20 B A G >< S- 0 0 50 -4,-1.3 3,-1.0 1,-0.3 -4,-0.1 -0.216 79.0 -7.1 -43.6 118.6 22.9 10.8 17.4 104 21 B G G 3 S- 0 0 43 1,-0.2 -1,-0.3 2,-0.0 -5,-0.0 0.770 133.3 -55.1 59.6 28.9 24.0 11.9 20.9 105 22 B G G < S+ 0 0 0 -3,-2.1 10,-2.8 1,-0.2 11,-0.5 0.497 106.4 119.9 88.8 7.1 21.8 15.0 20.9 106 23 B I < - 0 0 64 -3,-1.0 2,-0.3 8,-0.2 -1,-0.2 -0.217 58.7-131.4 -86.1-175.3 23.1 16.7 17.6 107 24 B N - 0 0 25 4,-0.3 -5,-0.2 7,-0.1 6,-0.2 -0.830 17.0-175.3-139.2 107.3 21.2 17.5 14.5 108 25 B L S S+ 0 0 69 -7,-2.4 3,-0.2 -2,-0.3 -6,-0.1 0.693 84.6 46.8 -71.5 -21.0 23.0 16.3 11.3 109 26 B V S S+ 0 0 54 -8,-0.3 2,-0.5 1,-0.3 -1,-0.2 0.894 127.8 17.0 -92.4 -45.7 20.4 17.9 9.0 110 27 B N S > S- 0 0 74 1,-0.1 3,-2.0 3,-0.1 -1,-0.3 -0.864 79.5-155.2-131.7 90.9 20.0 21.5 10.5 111 28 B A T 3 S+ 0 0 77 -2,-0.5 -4,-0.3 1,-0.3 3,-0.2 0.727 83.9 48.8 -48.8 -40.5 23.0 21.9 12.7 112 29 B E T 3 S+ 0 0 129 1,-0.2 2,-1.4 -6,-0.1 -1,-0.3 0.683 92.2 79.9 -75.7 -16.1 21.8 24.5 15.2 113 30 B K < + 0 0 78 -3,-2.0 -1,-0.2 -6,-0.2 -3,-0.1 -0.329 68.9 156.4 -92.1 56.0 18.6 22.7 16.0 114 31 B T - 0 0 31 -2,-1.4 -8,-0.2 -3,-0.2 -7,-0.1 0.004 55.2-119.0 -72.4 176.0 20.2 20.2 18.4 115 32 B L S S+ 0 0 20 -10,-2.8 -9,-0.1 -13,-0.1 53,-0.1 0.180 71.8 126.3 -99.6 10.7 18.5 18.3 21.2 116 33 B K S > S- 0 0 63 -11,-0.5 4,-3.1 1,-0.1 3,-0.5 -0.425 72.6-116.0 -69.3 149.5 20.8 19.9 23.8 117 34 B K H > S+ 0 0 26 48,-0.6 4,-2.5 1,-0.3 5,-0.2 0.941 115.3 50.3 -50.7 -57.7 19.1 21.6 26.7 118 35 B E H > S+ 0 0 141 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.818 113.9 45.9 -52.8 -36.6 20.3 25.1 25.8 119 36 B A H > S+ 0 0 9 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.906 108.7 54.6 -75.6 -44.0 19.1 24.6 22.2 120 37 B L H <>S+ 0 0 10 -4,-3.1 5,-3.2 1,-0.2 6,-1.1 0.889 112.2 45.2 -54.0 -40.3 15.7 23.2 23.2 121 38 B E H ><5S+ 0 0 111 -4,-2.5 3,-1.2 -5,-0.2 -2,-0.2 0.940 110.1 55.1 -66.3 -46.6 15.2 26.3 25.3 122 39 B K H 3<5S+ 0 0 144 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.857 115.9 35.5 -58.7 -42.6 16.4 28.7 22.6 123 40 B F T 3<5S- 0 0 81 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.334 113.4-114.4 -95.6 5.1 13.9 27.4 19.9 124 41 B G T < 5S+ 0 0 44 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.924 82.3 121.5 65.5 47.0 11.1 26.8 22.5 125 42 B M < + 0 0 48 -5,-3.2 2,-1.6 -6,-0.2 6,-0.3 0.173 32.8 114.6-120.4 5.8 11.0 23.1 22.1 126 43 B N + 0 0 70 -6,-1.1 2,-0.2 -5,-0.1 3,-0.1 -0.619 60.8 74.1 -82.7 83.7 11.8 22.5 25.8 127 44 B S S > S- 0 0 41 -2,-1.6 4,-1.7 31,-0.1 5,-0.2 -0.876 83.1-118.8 175.5 151.8 8.4 20.9 26.7 128 45 B I H > S+ 0 0 85 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.859 115.3 55.0 -75.0 -33.8 6.6 17.6 26.2 129 46 B V H > S+ 0 0 109 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.912 109.2 45.0 -60.5 -48.2 3.9 19.5 24.2 130 47 B A H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.942 117.4 43.0 -66.3 -51.2 6.3 21.1 21.8 131 48 B I H X S+ 0 0 17 -4,-1.7 4,-2.9 -6,-0.3 5,-0.3 0.928 111.5 53.7 -60.4 -48.4 8.3 17.9 21.1 132 49 B T H X S+ 0 0 33 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.819 111.0 47.2 -63.8 -30.7 5.2 15.6 20.8 133 50 B T H X S+ 0 0 69 -4,-1.6 4,-2.6 -5,-0.2 5,-0.3 0.864 112.4 47.5 -78.4 -36.1 3.7 17.9 18.2 134 51 B Q H X S+ 0 0 46 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.925 111.1 51.6 -68.0 -44.9 6.8 18.2 16.1 135 52 B V H < S+ 0 0 14 -4,-2.9 10,-2.3 2,-0.2 -1,-0.2 0.818 114.6 46.4 -56.4 -32.2 7.4 14.4 16.2 136 53 B T H < S+ 0 0 43 -4,-0.8 10,-1.2 -5,-0.3 -2,-0.2 0.945 127.5 21.2 -80.7 -49.1 3.7 14.0 15.0 137 54 B N H < S- 0 0 118 -4,-2.6 7,-0.3 7,-0.2 -2,-0.2 0.565 97.7-143.7 -97.9 -11.3 3.5 16.5 12.2 138 55 B G < - 0 0 14 -4,-2.7 2,-0.2 5,-0.4 -1,-0.2 -0.076 7.2-132.7 67.1-175.9 7.2 16.8 11.3 139 56 B K B > -B 142 0B 104 3,-2.1 3,-2.5 1,-0.3 -1,-0.1 -0.768 54.4 -40.7-177.5 120.0 8.8 20.2 10.3 140 57 B A T 3 S- 0 0 103 1,-0.3 -1,-0.3 -2,-0.2 -125,-0.1 -0.274 132.4 -2.5 49.0-125.9 11.1 20.9 7.3 141 58 B G T 3 S+ 0 0 38 -3,-0.1 -1,-0.3 -126,-0.1 -126,-0.1 0.577 114.8 95.9 -74.1 -8.9 13.7 18.0 7.1 142 59 B M B < S-B 139 0B 46 -3,-2.5 -3,-2.1 1,-0.1 0, 0.0 -0.726 74.9-132.5 -83.5 122.3 12.2 16.3 10.2 143 60 B P - 0 0 57 0, 0.0 -5,-0.4 0, 0.0 2,-0.3 -0.203 16.6-108.3 -70.7 161.7 9.7 13.6 9.3 144 61 B A - 0 0 43 -7,-0.3 -8,-0.2 -6,-0.1 -7,-0.2 -0.636 21.5-165.9 -80.1 143.1 6.3 13.1 10.8 145 62 B F >> + 0 0 11 -10,-2.3 4,-2.2 -2,-0.3 3,-0.7 0.220 49.7 118.9-121.5 9.9 5.9 10.0 13.0 146 63 B K B 34 S+c 149 0C 63 -10,-1.2 4,-0.1 1,-0.2 -2,-0.1 -0.705 77.4 35.2 -67.9 123.5 2.1 10.0 13.1 147 64 B G T 34 S+ 0 0 87 2,-0.5 -1,-0.2 -2,-0.5 3,-0.1 -0.203 123.3 41.0 120.3 -39.8 1.4 6.6 11.6 148 65 B R T <4 S+ 0 0 68 -3,-0.7 2,-0.5 1,-0.2 -2,-0.2 0.609 105.3 59.2-119.6 -18.4 4.3 4.6 13.0 149 66 B L B < S-c 146 0C 16 -4,-2.2 -2,-0.5 -13,-0.1 2,-0.2 -0.961 78.1-131.6-110.6 132.7 4.8 5.7 16.5 150 67 B T >> - 0 0 73 -2,-0.5 4,-2.5 1,-0.1 3,-1.8 -0.561 27.1-115.3 -73.7 144.4 2.0 5.3 19.1 151 68 B D T 34 S+ 0 0 128 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.430 119.7 59.2 -68.7 9.1 1.3 8.5 21.0 152 69 B D T 3> S+ 0 0 122 2,-0.1 4,-0.8 3,-0.1 -1,-0.3 0.694 108.8 41.9 -92.4 -36.0 2.4 6.4 24.1 153 70 B Q H <> S+ 0 0 66 -3,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.799 115.4 52.3 -77.7 -34.4 5.8 5.8 22.4 154 71 B I H X S+ 0 0 6 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.894 108.8 47.9 -67.3 -46.3 5.9 9.5 21.3 155 72 B A H > S+ 0 0 44 -4,-0.5 4,-0.8 -5,-0.2 -1,-0.2 0.827 113.4 50.5 -61.1 -33.1 5.2 10.8 24.8 156 73 B A H X S+ 0 0 5 -4,-0.8 4,-2.1 2,-0.2 -66,-0.2 0.813 110.9 46.3 -77.5 -31.5 7.9 8.5 26.1 157 74 B V H X S+ 0 0 5 -4,-1.5 4,-2.5 2,-0.3 -2,-0.2 0.817 107.4 55.9 -85.5 -33.8 10.5 9.6 23.5 158 75 B A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.823 112.3 46.9 -55.3 -34.1 9.8 13.3 24.1 159 76 B A H X S+ 0 0 35 -4,-0.8 4,-2.1 2,-0.2 -2,-0.3 0.865 108.1 51.6 -81.1 -40.1 10.6 12.4 27.7 160 77 B Y H X S+ 0 0 41 -4,-2.1 4,-2.8 -74,-0.2 5,-0.3 0.935 111.8 49.9 -54.7 -45.4 13.8 10.5 26.9 161 78 B V H X S+ 0 0 10 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.978 111.0 48.5 -58.0 -56.5 14.9 13.6 24.9 162 79 B L H X S+ 0 0 39 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.784 113.1 49.0 -52.8 -33.7 14.0 15.8 27.9 163 80 B D H X S+ 0 0 66 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.880 113.0 43.3 -76.8 -44.1 15.9 13.4 30.3 164 81 B Q H X S+ 0 0 39 -4,-2.8 4,-9.0 2,-0.2 5,-0.3 0.891 109.1 60.5 -67.8 -35.7 19.2 13.2 28.3 165 82 B A H < S+ 0 0 5 -4,-2.8 -48,-0.6 -5,-0.3 -2,-0.2 0.936 106.1 45.9 -55.0 -48.6 19.0 16.9 27.6 166 83 B E H < S+ 0 0 152 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.813 125.3 33.1 -60.2 -31.0 19.2 17.6 31.3 167 84 B K H < S- 0 0 83 -4,-1.1 -2,-0.2 -3,-0.1 -3,-0.2 0.814 115.3-136.2 -99.4 -41.2 22.0 15.1 31.5 168 85 B G < 0 0 33 -4,-9.0 -3,-0.2 -5,-0.2 -4,-0.1 0.500 360.0 360.0 98.0 19.4 23.0 16.2 28.2 169 86 B W 0 0 72 -5,-0.3 -4,-0.1 -6,-0.1 -5,-0.1 0.722 360.0 360.0 155.1 360.0 23.7 13.5 26.2