==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 14-JAN-08 3BXU . COMPND 2 MOLECULE: CYTOCHROME C3; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACTER SULFURREDUCENS; . AUTHOR P.R.POKKULURI,M.SCHIFFER . 142 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 9.9 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 . 11 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 4.2 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 4 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 A 0 0 86 0, 0.0 74,-1.3 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0-170.9 11.3 -12.5 -0.1 2 2 A D E +a 75 0A 84 72,-0.2 2,-0.3 75,-0.0 16,-0.3 -0.297 360.0 16.0 159.2 -46.0 8.2 -10.6 1.0 3 3 A T E -a 76 0A 26 72,-2.4 74,-2.5 13,-0.1 2,-0.3 -0.993 46.8-136.3-143.1 159.5 7.3 -9.9 4.7 4 4 A M E -aB 77 15A 30 11,-2.8 11,-2.6 -2,-0.3 2,-0.5 -0.819 18.9-149.9-100.8 147.6 8.6 -9.7 8.3 5 5 A T E -aB 78 14A 13 72,-2.7 74,-1.5 -2,-0.3 2,-0.7 -0.983 5.6-164.8-119.9 123.8 6.6 -11.1 11.2 6 6 A F E - B 0 13A 31 7,-2.8 7,-2.6 -2,-0.5 2,-0.1 -0.933 23.3-137.3-105.1 107.5 6.9 -9.6 14.6 7 7 A T + 0 0 67 -2,-0.7 2,-0.3 5,-0.2 5,-0.1 -0.443 30.4 169.4 -71.4 138.9 5.4 -12.1 17.1 8 8 A A > - 0 0 29 -2,-0.1 3,-1.9 105,-0.1 104,-0.1 -0.990 41.5-127.7-150.7 141.1 3.2 -10.6 19.8 9 9 A K T 3 S+ 0 0 198 -2,-0.3 3,-0.1 1,-0.3 103,-0.1 0.822 111.4 50.7 -61.9 -32.2 0.9 -12.2 22.3 10 10 A N T 3 S- 0 0 81 1,-0.3 -1,-0.3 -3,-0.0 61,-0.1 0.213 136.4 -45.6 -90.4 14.3 -2.0 -10.0 21.2 11 11 A G < - 0 0 0 -3,-1.9 -1,-0.3 59,-0.1 60,-0.2 0.118 65.7 -96.1 122.2 124.2 -1.6 -10.7 17.5 12 12 A N E - C 0 70A 24 58,-0.7 58,-2.1 57,-0.2 2,-0.5 -0.226 34.6-130.4 -63.1 151.3 1.5 -10.9 15.3 13 13 A V E -BC 6 69A 25 -7,-2.6 -7,-2.8 56,-0.2 2,-0.5 -0.924 12.4-152.5-108.9 123.5 2.4 -7.8 13.3 14 14 A T E -B 5 0A 76 54,-0.6 2,-0.4 -2,-0.5 -9,-0.2 -0.861 15.4-170.8 -96.6 130.0 3.1 -8.2 9.5 15 15 A F E -B 4 0A 45 -11,-2.6 -11,-2.8 -2,-0.5 2,-1.3 -0.980 21.6-145.8-130.8 119.9 5.5 -5.6 8.2 16 16 A D > + 0 0 61 -2,-0.4 4,-2.0 -13,-0.2 5,-0.1 -0.716 22.7 177.2 -85.3 91.5 6.4 -5.1 4.5 17 17 A H H > S+ 0 0 52 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.913 76.8 52.6 -64.1 -44.4 10.0 -4.1 4.9 18 18 A K H > S+ 0 0 143 -16,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.908 108.6 50.0 -62.3 -40.9 10.6 -3.7 1.2 19 19 A K H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.926 111.9 48.4 -61.8 -42.0 7.6 -1.4 0.8 20 20 A H H X S+ 0 0 55 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.885 107.0 55.9 -67.5 -34.8 8.9 0.7 3.6 21 21 A Q H < S+ 0 0 113 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.837 110.5 47.7 -60.6 -34.1 12.4 0.8 2.1 22 22 A T H < S+ 0 0 111 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.887 121.5 30.7 -75.1 -44.2 10.8 2.2 -1.0 23 23 A I H < S+ 0 0 101 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.771 101.1 80.9 -93.3 -27.8 8.6 4.9 0.5 24 24 A V S < S- 0 0 34 -4,-2.7 5,-0.0 -5,-0.2 3,-0.0 -0.712 84.1-125.9 -88.4 134.2 10.6 5.9 3.5 25 25 A P S S+ 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.642 78.0 3.6 -57.4 -32.2 13.4 8.4 2.5 26 26 A D > - 0 0 103 1,-0.1 3,-1.6 0, 0.0 4,-0.4 -0.987 63.9-119.9-157.2 143.4 16.5 6.7 4.0 27 27 A C T >> S+ 0 0 70 -2,-0.3 4,-2.2 1,-0.3 3,-1.4 0.823 109.4 71.0 -55.9 -32.3 17.5 3.5 5.8 28 28 A A H 3> S+ 0 0 40 1,-0.3 4,-1.8 3,-0.2 -1,-0.3 0.703 78.0 76.7 -60.0 -23.8 18.7 5.7 8.7 29 29 A V H <4 S+ 0 0 88 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.924 118.9 12.4 -52.8 -41.9 15.1 6.7 9.5 30 30 A C H <4 S+ 0 0 58 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.2 0.674 138.9 38.7-107.9 -20.8 14.8 3.3 11.2 31 31 A H H >< S- 0 0 51 -4,-2.2 3,-0.7 1,-0.3 -3,-0.2 0.470 85.4-146.2-113.5 -8.5 18.4 2.0 11.4 32 32 A G T 3< S- 0 0 39 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.425 71.1 -5.6 68.3-146.3 20.5 5.0 12.2 33 33 A K T 3 S+ 0 0 203 1,-0.1 -1,-0.2 -2,-0.1 -5,-0.1 0.816 134.9 13.3 -55.4 -43.3 24.0 5.1 10.8 34 34 A T S < S- 0 0 91 -3,-0.7 2,-0.2 -7,-0.1 -1,-0.1 -0.986 82.3-107.3-136.8 141.0 24.1 1.6 9.1 35 35 A P + 0 0 79 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.528 69.4 109.1 -68.9 137.4 21.4 -0.9 8.3 36 36 A G S S- 0 0 44 -2,-0.2 2,-0.1 3,-0.0 -2,-0.0 -0.936 74.8 -26.4 173.9-174.9 21.7 -3.8 10.7 37 37 A K - 0 0 105 -2,-0.3 2,-1.1 1,-0.1 44,-0.0 -0.397 62.6-124.9 -63.5 136.5 19.8 -5.3 13.6 38 38 A I > - 0 0 48 -2,-0.1 3,-2.0 1,-0.0 -1,-0.1 -0.745 27.5-132.4 -89.0 99.9 17.8 -2.6 15.4 39 39 A E T 3 S+ 0 0 162 -2,-1.1 -1,-0.0 1,-0.3 42,-0.0 -0.319 85.2 9.6 -53.2 127.8 19.0 -2.9 19.0 40 40 A G T 3 S+ 0 0 46 1,-0.2 5,-0.4 -2,-0.0 -1,-0.3 0.355 82.9 166.0 85.4 -2.8 16.1 -3.0 21.5 41 41 A F < + 0 0 50 -3,-2.0 2,-0.3 4,-0.1 -1,-0.2 -0.162 28.7 90.6 -56.8 137.2 13.4 -3.3 18.9 42 42 A G S > S- 0 0 27 1,-0.1 4,-2.7 -36,-0.0 5,-0.2 -0.950 87.6 -27.7 167.0-159.7 10.2 -4.4 20.5 43 43 A K H > S+ 0 0 150 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.889 128.2 46.4 -52.7 -55.2 7.0 -2.9 22.1 44 44 A E H > S+ 0 0 151 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.912 117.4 42.0 -60.4 -45.9 8.4 0.4 23.3 45 45 A M H 4>S+ 0 0 61 -5,-0.4 5,-1.7 2,-0.2 6,-0.8 0.933 115.5 50.6 -67.6 -44.0 10.2 1.3 20.1 46 46 A A H <5S+ 0 0 21 -4,-2.7 6,-2.9 1,-0.2 5,-0.5 0.883 112.7 45.1 -62.1 -40.0 7.3 0.1 17.9 47 47 A H H <5S+ 0 0 84 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.693 121.1 46.1 -80.0 -16.0 4.7 2.1 19.8 48 48 A G T ><>S- 0 0 29 -4,-1.1 5,-3.0 -3,-0.3 3,-1.1 0.248 126.1 -37.2 -95.4-139.6 7.1 5.1 19.7 49 49 A K T 3 5S+ 0 0 196 1,-0.2 5,-0.2 4,-0.2 -3,-0.1 0.667 122.6 69.6 -68.6 -20.8 9.2 6.6 16.9 50 50 A S T 3 5S+ 0 0 35 -3,-1.1 4,-1.6 -6,-0.8 3,-0.8 0.379 133.7 38.4-136.8 -77.9 6.6 2.5 13.9 52 52 A K H 3>5S+ 0 0 95 -6,-2.9 4,-2.7 1,-0.3 5,-0.2 0.845 110.4 61.0 -56.3 -39.3 3.4 4.1 15.3 53 53 A G H 3> S+ 0 0 52 -3,-0.8 4,-2.9 -6,-0.4 6,-0.3 0.946 111.8 49.9 -62.8 -48.0 5.7 7.9 12.1 55 55 A H H X>S+ 0 0 25 -4,-1.6 5,-1.2 1,-0.2 4,-0.5 0.900 115.8 43.3 -59.4 -40.9 2.2 6.8 11.1 56 56 A E H ><5S+ 0 0 111 -4,-2.7 3,-0.7 -5,-0.2 -1,-0.2 0.952 116.4 45.4 -69.3 -47.7 0.7 9.3 13.6 57 57 A E H 3<5S+ 0 0 144 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.895 120.1 39.6 -65.8 -39.6 3.0 12.2 12.8 58 58 A M H 3<5S- 0 0 110 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.418 103.4-128.3 -94.1 0.4 2.8 11.8 9.0 59 59 A K T <<5S+ 0 0 175 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.2 0.793 76.1 101.1 57.6 36.6 -1.0 11.0 9.0 60 60 A K < + 0 0 168 -5,-1.2 -2,-0.2 -6,-0.3 -1,-0.1 -0.970 62.0 26.3-152.7 129.5 -0.5 7.8 7.0 61 61 A G S S- 0 0 43 -2,-0.3 2,-0.2 -3,-0.1 6,-0.0 -0.292 96.0 -33.1 101.8 170.1 -0.3 4.2 8.1 62 62 A P + 0 0 33 0, 0.0 -7,-0.2 0, 0.0 -6,-0.2 -0.368 48.2 156.4 -71.3 130.7 -1.8 2.2 11.0 63 63 A T + 0 0 38 -2,-0.2 2,-0.3 -8,-0.1 -7,-0.0 0.501 53.8 85.9-121.6 -12.1 -2.2 3.8 14.5 64 64 A K S >> S- 0 0 145 1,-0.1 3,-1.5 -12,-0.0 4,-0.8 -0.679 83.7-118.5 -96.5 147.0 -4.9 1.6 15.9 65 65 A C H >> S+ 0 0 99 1,-0.3 4,-3.0 -2,-0.3 3,-1.4 0.890 111.1 47.9 -51.9 -52.4 -4.1 -1.6 17.7 66 66 A G H 34 S+ 0 0 48 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.608 98.4 69.2 -69.2 -15.2 -5.9 -4.0 15.4 67 67 A E H <4 S+ 0 0 97 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.758 119.1 20.5 -69.7 -27.3 -4.4 -2.3 12.3 68 68 A C H << S+ 0 0 37 -3,-1.4 2,-0.6 -4,-0.8 -54,-0.6 0.799 117.8 64.2-101.9 -50.2 -1.0 -3.8 13.3 69 69 A H E < -C 13 0A 32 -4,-3.0 2,-0.5 -5,-0.2 -57,-0.2 -0.738 64.7-179.5 -87.3 116.5 -1.9 -6.7 15.6 70 70 A K E C 12 0A 109 -58,-2.1 -58,-0.7 -2,-0.6 -59,-0.1 -0.965 360.0 360.0-122.3 122.7 -3.8 -9.4 13.9 71 71 A K 0 0 187 -2,-0.5 38,-0.1 -60,-0.2 -61,-0.0 -0.442 360.0 360.0 -88.8 360.0 -5.0 -12.7 15.5 72 !* 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 73 1 B A 0 0 75 0, 0.0 15,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -70.4 7.7 -14.4 -3.4 74 2 B D + 0 0 46 -72,-0.1 15,-1.5 2,-0.0 16,-1.3 -0.504 360.0 141.7-139.6 69.3 6.2 -15.8 -0.1 75 3 B T E -aD 2 88A 16 -74,-1.3 -72,-2.4 13,-0.2 2,-0.5 -0.926 33.5-156.5-111.6 133.1 9.1 -15.7 2.3 76 4 B M E -aD 3 87A 43 11,-3.1 11,-2.8 -2,-0.4 2,-0.6 -0.949 2.0-155.2-110.2 129.2 8.5 -14.7 6.0 77 5 B T E -aD 4 86A 28 -74,-2.5 -72,-2.7 -2,-0.5 2,-0.5 -0.924 6.6-157.9-107.8 118.1 11.3 -13.4 8.1 78 6 B F E -aD 5 85A 32 7,-2.8 7,-2.6 -2,-0.6 2,-0.2 -0.827 19.2-128.4 -94.6 123.8 10.8 -13.9 11.8 79 7 B T + 0 0 48 -74,-1.5 2,-0.3 -2,-0.5 -72,-0.2 -0.466 32.8 170.0 -70.9 144.2 12.8 -11.5 14.0 80 8 B A > - 0 0 21 -2,-0.2 3,-2.0 1,-0.1 -74,-0.0 -0.958 38.8-131.8-155.4 137.0 15.0 -12.9 16.7 81 9 B K T 3 S+ 0 0 185 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.782 109.8 52.6 -62.3 -26.9 17.5 -11.1 18.8 82 10 B N T 3 S- 0 0 74 1,-0.3 -1,-0.3 61,-0.1 61,-0.2 0.267 136.1 -46.4 -94.6 10.7 20.1 -13.8 18.1 83 11 B G < - 0 0 0 -3,-2.0 -1,-0.3 59,-0.1 60,-0.3 0.025 66.1 -94.3 127.8 126.5 19.6 -13.6 14.3 84 12 B N B -E 142 0B 40 58,-0.7 58,-2.3 57,-0.2 2,-0.5 -0.219 33.3-136.6 -64.3 156.5 16.5 -13.4 12.1 85 13 B V E -D 78 0A 31 -7,-2.6 -7,-2.8 56,-0.2 2,-0.5 -0.957 9.6-150.3-122.2 122.2 15.1 -16.6 10.7 86 14 B T E -D 77 0A 95 -2,-0.5 2,-0.5 54,-0.5 -9,-0.2 -0.813 11.4-170.3 -99.6 130.5 13.9 -16.7 7.0 87 15 B F E -D 76 0A 49 -11,-2.8 -11,-3.1 -2,-0.5 2,-1.2 -0.968 15.0-151.3-125.6 113.4 11.1 -19.1 6.1 88 16 B D E > -D 75 0A 57 -2,-0.5 4,-2.2 -13,-0.2 -13,-0.2 -0.720 16.6-179.2 -87.0 96.1 10.2 -19.8 2.5 89 17 B H H > S+ 0 0 35 -15,-1.5 4,-2.2 -2,-1.2 -1,-0.2 0.916 79.4 52.2 -61.4 -48.0 6.5 -20.6 2.9 90 18 B K H > S+ 0 0 104 -16,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.940 110.5 47.5 -58.0 -48.1 6.0 -21.2 -0.8 91 19 B K H > S+ 0 0 127 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.923 111.1 51.3 -60.5 -44.0 8.9 -23.6 -1.0 92 20 B H H X S+ 0 0 55 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.854 107.5 53.5 -61.9 -34.7 7.6 -25.5 2.1 93 21 B Q H < S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.820 105.8 54.3 -65.8 -30.3 4.1 -25.7 0.5 94 22 B T H < S+ 0 0 107 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.843 119.7 31.0 -73.7 -31.9 5.7 -27.3 -2.5 95 23 B I H < S+ 0 0 106 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.619 121.1 47.2-107.1 -18.4 7.5 -30.1 -0.4 96 24 B V S < S- 0 0 45 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.2 -0.824 75.9-174.3-115.6 81.9 5.0 -30.5 2.5 97 25 B P + 0 0 119 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 0.115 57.4 75.6 -78.8 27.9 1.8 -30.8 0.3 98 26 B D > - 0 0 92 -2,-0.4 3,-1.7 1,-0.1 4,-0.4 -0.940 62.9-157.9-137.0 108.8 -0.8 -30.9 3.1 99 27 B C T >> S+ 0 0 74 -2,-0.4 4,-2.3 1,-0.3 3,-1.3 0.792 88.1 71.8 -50.3 -34.4 -1.5 -27.6 4.8 100 28 B A H 3> S+ 0 0 39 1,-0.3 4,-1.9 3,-0.2 -1,-0.3 0.743 80.6 72.4 -61.7 -24.7 -2.8 -29.5 7.9 101 29 B V H <4 S+ 0 0 97 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.909 119.1 16.2 -55.3 -41.0 0.7 -30.6 8.8 102 30 B C H <4 S+ 0 0 67 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.679 141.2 30.2-102.5 -24.4 1.5 -27.0 9.9 103 31 B H H >< S- 0 0 46 -4,-2.3 3,-1.5 1,-0.3 -3,-0.2 0.425 81.7-149.2-117.6 -6.3 -2.0 -25.5 10.2 104 32 B G T 3< S- 0 0 39 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.1 -0.392 74.5 -22.5 55.3-141.1 -4.4 -28.2 11.2 105 33 B K T 3 S+ 0 0 196 1,-0.2 -1,-0.2 -5,-0.1 -5,-0.1 0.557 133.2 60.1 -77.8 -9.1 -7.9 -27.4 9.7 106 34 B T < - 0 0 105 -3,-1.5 -1,-0.2 -6,-0.1 2,-0.1 -0.766 67.9-155.7-129.4 90.6 -7.3 -23.7 9.3 107 35 B P + 0 0 77 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.393 62.8 72.3 -54.1 131.5 -4.5 -22.4 7.1 108 36 B G S S+ 0 0 44 -2,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.981 90.6 2.7 152.9-153.3 -3.8 -18.9 8.5 109 37 B K - 0 0 82 -2,-0.3 2,-0.7 -38,-0.1 -3,-0.1 -0.306 66.6-130.6 -61.8 148.1 -2.1 -17.6 11.6 110 38 B I > - 0 0 48 -3,-0.0 3,-2.2 -39,-0.0 -1,-0.1 -0.910 26.8-123.4-104.6 107.8 -0.7 -20.3 13.9 111 39 B E T 3 S+ 0 0 165 -2,-0.7 -40,-0.0 1,-0.3 0, 0.0 -0.274 91.5 10.6 -56.2 128.6 -2.0 -19.5 17.4 112 40 B G T 3 S+ 0 0 48 1,-0.2 5,-0.4 -104,-0.1 -1,-0.3 0.372 83.7 166.3 88.8 -1.6 0.9 -19.2 19.8 113 41 B F < + 0 0 29 -3,-2.2 2,-0.3 4,-0.1 -1,-0.2 -0.172 26.1 95.7 -57.8 139.3 3.7 -19.2 17.2 114 42 B G S > S- 0 0 17 -107,-0.1 4,-2.7 1,-0.0 5,-0.3 -0.939 87.6 -33.2 168.4-161.4 7.0 -18.1 18.7 115 43 B K H > S+ 0 0 158 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.895 129.1 48.4 -54.2 -50.6 10.2 -19.5 20.1 116 44 B E H > S+ 0 0 175 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.929 115.9 42.4 -64.3 -46.0 8.7 -22.6 21.8 117 45 B M H 4>S+ 0 0 57 -5,-0.4 5,-1.6 1,-0.2 6,-0.8 0.916 114.5 51.6 -67.0 -40.7 6.7 -23.7 18.8 118 46 B A H <5S+ 0 0 20 -4,-2.7 6,-3.0 1,-0.2 5,-0.3 0.876 112.6 45.0 -63.6 -39.0 9.5 -23.0 16.3 119 47 B H H <5S+ 0 0 88 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.692 122.3 43.1 -78.9 -17.5 12.0 -25.0 18.4 120 48 B G T ><>S- 0 0 28 -4,-1.2 5,-3.0 -3,-0.2 3,-1.2 0.215 126.9 -34.7 -97.0-135.8 9.3 -27.7 18.7 121 49 B K T 3 5S+ 0 0 186 1,-0.3 5,-0.3 4,-0.2 -3,-0.1 0.719 122.4 68.4 -68.6 -21.7 7.0 -29.2 16.1 122 50 B S T 3 5S+ 0 0 37 -3,-1.2 4,-1.6 -6,-0.8 3,-0.8 0.316 132.9 37.7-138.7 -77.6 9.9 -25.8 12.7 124 52 B K H 3>5S+ 0 0 77 -6,-3.0 4,-2.5 1,-0.2 5,-0.2 0.830 109.5 60.5 -61.0 -37.1 12.9 -27.6 14.2 125 53 B G H 3> S+ 0 0 56 -3,-0.8 4,-2.9 -6,-0.4 6,-0.3 0.931 110.9 50.6 -67.1 -44.7 10.1 -31.6 11.5 127 55 B H H X>S+ 0 0 25 -4,-1.6 5,-1.2 1,-0.2 4,-0.8 0.895 113.1 46.9 -58.6 -41.2 13.7 -30.9 10.3 128 56 B E H <5S+ 0 0 85 -4,-2.5 3,-0.5 2,-0.2 -1,-0.2 0.942 114.7 45.6 -65.2 -46.9 15.0 -33.3 13.0 129 57 B E H <5S+ 0 0 147 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.919 119.7 39.8 -65.1 -42.7 12.4 -36.0 12.3 130 58 B M H <5S- 0 0 122 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.530 100.4-132.2 -84.7 -6.2 12.8 -35.8 8.5 131 59 B K T <5S+ 0 0 171 -4,-0.8 2,-0.3 -3,-0.5 -3,-0.2 0.839 75.7 104.0 52.3 37.2 16.7 -35.4 8.6 132 60 B K < + 0 0 159 -5,-1.2 -2,-0.2 -6,-0.3 -1,-0.2 -0.986 61.8 23.9-145.9 135.2 16.3 -32.5 6.2 133 61 B G S S- 0 0 42 -2,-0.3 2,-0.2 -3,-0.1 6,-0.0 -0.216 100.0 -30.5 95.0 169.6 16.4 -28.8 6.9 134 62 B P + 0 0 36 0, 0.0 -7,-0.2 0, 0.0 -6,-0.2 -0.366 52.0 155.4 -68.3 129.6 18.1 -26.7 9.7 135 63 B T + 0 0 47 -2,-0.2 2,-0.3 -8,-0.1 -7,-0.1 0.527 54.1 78.0-123.9 -13.5 18.4 -28.3 13.1 136 64 B K S >> S- 0 0 152 1,-0.1 3,-1.7 5,-0.0 4,-0.9 -0.745 87.3-113.6-101.2 150.9 21.4 -26.3 14.6 137 65 B C H >> S+ 0 0 103 -2,-0.3 4,-2.8 1,-0.3 3,-1.1 0.869 113.4 49.5 -51.2 -50.6 20.9 -22.8 16.0 138 66 B G H 34 S+ 0 0 47 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.599 98.3 67.8 -68.8 -15.8 23.1 -21.1 13.4 139 67 B E H <4 S+ 0 0 93 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.780 118.0 23.0 -73.1 -29.6 21.3 -22.8 10.5 140 68 B C H << S+ 0 0 34 -3,-1.1 2,-0.8 -4,-0.9 -54,-0.5 0.828 114.5 66.8 -95.6 -48.1 18.2 -20.8 11.3 141 69 B H < - 0 0 28 -4,-2.8 2,-0.7 -5,-0.2 -57,-0.2 -0.702 65.2-174.6 -86.7 109.2 19.4 -17.8 13.2 142 70 B K B E 84 0B 127 -58,-2.3 -58,-0.7 -2,-0.8 -59,-0.1 -0.898 360.0 360.0-112.7 106.3 21.4 -15.6 10.7 143 71 B K 0 0 226 -2,-0.7 -61,-0.1 -60,-0.3 -60,-0.1 -0.318 360.0 360.0 -73.1 360.0 23.1 -12.6 12.3