==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-JUL-09 3IC7 . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR Y.KIM,A.SATHER,C.TESAR,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER . 224 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 7.1 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 . 2 0.9 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 . 6 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 4.5 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 2 0 0 1 4 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 9 A I > 0 0 125 0, 0.0 4,-0.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-144.0 45.4 55.2 1.0 2 10 A Y T 4 + 0 0 94 1,-0.1 4,-0.2 2,-0.1 45,-0.1 0.964 360.0 12.4 -45.4 -43.4 43.1 52.3 1.9 3 11 A L T >> S+ 0 0 87 2,-0.1 3,-2.6 1,-0.1 4,-0.6 0.892 104.7 79.4-104.3 -52.5 46.3 50.5 1.4 4 12 A Q H >> S+ 0 0 129 1,-0.3 3,-2.2 2,-0.2 4,-0.9 0.798 93.1 62.5 -38.0 -50.7 49.6 52.5 1.1 5 13 A I H 3X S+ 0 0 46 -4,-0.5 4,-3.0 1,-0.3 5,-0.4 0.780 88.6 68.6 -34.4 -51.9 49.6 52.8 4.9 6 14 A A H <> S+ 0 0 14 -3,-2.6 4,-3.7 1,-0.2 -1,-0.3 0.831 102.3 47.8 -42.5 -41.4 49.9 49.0 5.3 7 15 A D H S+ 0 0 23 -4,-1.5 5,-2.8 -5,-0.4 6,-0.8 0.969 114.6 46.0 -46.4 -48.2 57.6 49.7 10.5 13 21 A I H ><5S+ 0 0 4 -4,-3.1 3,-0.9 1,-0.2 -2,-0.3 0.842 113.3 43.0 -70.6 -41.1 56.7 46.1 11.4 14 22 A L H 3<5S+ 0 0 38 -4,-3.1 -1,-0.2 1,-0.3 -3,-0.2 0.643 108.3 60.9 -79.7 -17.0 59.3 44.2 9.4 15 23 A L T 3<5S- 0 0 127 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.361 116.2-123.0 -77.8 0.7 61.8 46.8 10.6 16 24 A G T < 5S+ 0 0 32 -3,-0.9 -3,-0.2 2,-0.2 -2,-0.1 0.675 76.3 133.8 58.4 17.5 60.7 45.3 14.0 17 25 A Q S - 0 0 141 -2,-0.5 3,-1.4 4,-0.2 45,-0.5 -0.386 24.7-100.9 -79.5 151.7 57.0 44.1 17.9 20 28 A E B 3 S+a 64 0A 59 1,-0.3 45,-0.2 -2,-0.1 46,-0.2 -0.589 115.3 21.4 -72.5 138.5 54.5 41.2 17.6 21 29 A E T 3 S+ 0 0 90 43,-1.9 2,-0.3 1,-0.4 -1,-0.3 0.770 112.6 106.6 68.7 26.9 52.3 41.2 20.6 22 30 A G S < S- 0 0 12 -3,-1.4 42,-3.3 42,-0.1 -1,-0.4 -0.912 72.1 -88.6-138.5 165.6 53.2 44.8 20.9 23 31 A R E -B 63 0A 130 -2,-0.3 40,-0.3 40,-0.2 -4,-0.2 -0.417 15.1-156.6 -93.0 140.6 51.4 48.0 20.3 24 32 A I E -B 62 0A 10 38,-1.7 38,-0.6 -2,-0.2 3,-0.1 -0.926 40.8-109.9 -97.0 140.4 50.8 50.3 17.4 25 33 A P - 0 0 41 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.077 50.4 -58.8 -74.2 170.7 49.9 53.8 18.5 26 34 A S > - 0 0 47 1,-0.2 4,-1.9 3,-0.1 35,-0.0 0.047 34.0-128.9 -53.5 148.9 46.5 55.5 18.2 27 35 A V T 4 S+ 0 0 33 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.650 115.2 59.6 -65.0 -17.0 44.9 56.0 14.8 28 36 A R T 4 S+ 0 0 167 2,-0.1 4,-0.2 1,-0.1 -1,-0.2 0.919 107.8 41.7 -65.7 -48.3 44.6 59.5 16.2 29 37 A E T >> S+ 0 0 105 1,-0.2 3,-1.6 2,-0.1 4,-0.9 0.882 104.4 59.0 -76.4 -42.4 48.4 59.9 16.6 30 38 A Y T 3< S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.3 4,-0.1 0.806 95.2 63.5 -67.7 -33.3 49.9 58.5 13.5 31 39 A A T 34 S+ 0 0 6 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.586 97.4 57.4 -67.7 -12.5 48.1 60.7 11.0 32 40 A S T <4 S+ 0 0 93 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.930 102.0 54.0 -76.3 -53.0 49.9 63.9 12.4 33 41 A I < 0 0 121 -4,-0.9 -1,-0.2 -3,-0.1 -2,-0.2 0.425 360.0 360.0 -59.7 -2.9 53.3 62.5 11.8 34 42 A V 0 0 61 -4,-0.1 -3,-0.1 -3,-0.1 -2,-0.0 0.016 360.0 360.0-147.3 360.0 52.2 62.0 8.2 35 ! 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 36 44 A V 0 0 139 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 49.4 48.1 64.7 7.7 37 45 A N - 0 0 84 1,-0.1 -3,-0.1 2,-0.0 0, 0.0 -0.824 360.0-172.0-106.5 153.2 44.6 63.0 7.5 38 46 A A S > S+ 0 0 60 -2,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.816 72.4 47.3-110.3 -44.1 42.7 61.2 10.3 39 47 A N G >> S+ 0 0 112 1,-0.2 3,-1.3 2,-0.2 4,-0.6 0.703 101.9 61.8 -87.7 -17.1 39.5 59.4 9.2 40 48 A T G 34 S+ 0 0 67 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.572 91.6 73.1 -78.5 -5.9 40.8 57.6 6.2 41 49 A V G <> S+ 0 0 12 -3,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.404 89.2 59.9 -81.2 -2.8 43.1 56.0 8.9 42 50 A X H <> S+ 0 0 94 -3,-1.3 4,-1.1 2,-0.1 -2,-0.2 0.812 92.8 63.0 -80.5 -43.2 39.9 54.1 9.8 43 51 A R H < S+ 0 0 135 -4,-0.6 4,-0.3 1,-0.2 -2,-0.2 0.505 105.6 51.0 -65.0 0.0 39.7 52.5 6.4 44 52 A S H > S+ 0 0 4 2,-0.1 4,-3.0 3,-0.1 -1,-0.2 0.872 98.9 51.9-101.0 -56.1 43.0 50.8 7.2 45 53 A Y H X S+ 0 0 21 -4,-0.7 4,-2.6 1,-0.2 -2,-0.1 0.717 109.8 56.0 -61.7 -19.4 42.9 49.0 10.6 46 54 A E H X S+ 0 0 98 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.922 109.4 44.9 -65.6 -51.6 39.6 47.3 9.3 47 55 A Y H >4 S+ 0 0 73 -4,-0.3 3,-0.6 1,-0.2 -2,-0.2 0.982 119.7 42.5 -61.0 -50.2 41.4 46.0 6.4 48 56 A L H ><>S+ 0 0 13 -4,-3.0 5,-1.8 1,-0.2 3,-0.8 0.890 116.2 44.3 -59.6 -52.6 44.4 45.0 8.6 49 57 A Q H 3<5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.507 116.9 46.6 -75.5 -10.1 42.5 43.4 11.6 50 58 A S T <<5S+ 0 0 77 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.224 112.3 52.4-108.3 4.2 40.1 41.5 9.2 51 59 A Q T < 5S- 0 0 76 -3,-0.8 -2,-0.2 -5,-0.1 -3,-0.2 0.355 113.4-126.3-111.9 -3.7 43.2 40.5 7.4 52 60 A E T 5S+ 0 0 152 -4,-0.4 -3,-0.2 2,-0.3 -4,-0.1 0.511 81.1 114.4 84.1 5.6 44.7 39.3 10.6 53 61 A V S > -C 61 0A 92 4,-1.5 3,-2.0 -2,-0.6 4,-2.0 -0.570 45.4-104.4 -60.9 126.5 42.2 44.8 22.3 58 66 A R T 34 S+ 0 0 147 -2,-0.3 -1,-0.1 1,-0.3 4,-0.0 -0.436 100.5 4.5 -72.8 109.0 38.8 46.4 23.2 59 67 A G T 34 S+ 0 0 89 -2,-0.6 -1,-0.3 2,-0.0 -2,-0.1 0.611 126.0 66.2 96.0 16.4 39.4 49.6 25.1 60 68 A I T <4 S- 0 0 97 -3,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.580 96.7-111.6-133.1 -41.1 43.2 49.5 24.8 61 69 A G E < - C 0 57A 22 -4,-2.0 -4,-1.5 -36,-0.0 2,-0.3 -0.879 44.3 -42.9 132.2-166.9 44.2 49.9 21.1 62 70 A F E -BC 24 56A 43 -38,-0.6 -38,-1.7 -2,-0.3 2,-0.3 -0.728 48.1-169.2-104.7 154.4 45.7 47.8 18.3 63 71 A F E -BC 23 55A 20 -8,-2.3 -8,-1.2 -2,-0.3 2,-0.3 -0.826 33.7 -92.8-133.1 165.4 48.6 45.4 18.6 64 72 A V E -aC 20 54A 1 -42,-3.3 -43,-1.9 -45,-0.5 2,-0.3 -0.690 48.1-116.5 -77.6 137.0 50.8 43.5 16.3 65 73 A A > - 0 0 14 -12,-0.9 3,-0.9 -2,-0.3 2,-0.7 -0.614 33.7-100.9 -75.3 135.9 49.4 40.0 15.7 66 74 A S T 3 S+ 0 0 89 -2,-0.3 -1,-0.1 1,-0.3 -12,-0.1 -0.452 114.7 23.8 -62.1 104.4 51.6 37.2 17.0 67 75 A G T 3> S+ 0 0 38 -2,-0.7 4,-0.7 -14,-0.1 3,-0.4 0.658 83.1 133.7 107.4 36.0 53.2 36.0 13.7 68 76 A A H X> + 0 0 0 -3,-0.9 4,-1.6 1,-0.2 3,-0.7 0.932 55.2 67.0 -83.7 -48.0 52.8 39.3 11.7 69 77 A K H 34 S+ 0 0 63 1,-0.2 4,-0.4 -4,-0.2 -1,-0.2 0.476 107.6 44.6 -51.2 -6.6 56.3 39.8 10.0 70 78 A X H 3> S+ 0 0 149 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.724 101.6 55.3-119.1 -33.7 55.6 36.6 8.0 71 79 A L H S+ 0 0 105 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.889 114.7 45.1 -51.2 -41.1 56.1 38.7 3.3 74 82 A S H X S+ 0 0 50 -4,-1.5 4,-4.6 2,-0.3 5,-0.4 0.958 113.1 46.3 -65.7 -57.7 53.9 36.1 1.9 75 83 A L H < S+ 0 0 52 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.616 116.9 47.7 -64.8 -12.9 51.1 38.4 1.0 76 84 A R H < S+ 0 0 72 -4,-2.0 4,-0.5 -5,-0.3 -2,-0.3 0.829 116.1 44.5 -84.1 -42.5 53.9 40.5 -0.4 77 85 A K H >< S+ 0 0 155 -4,-3.0 3,-0.6 -5,-0.3 4,-0.5 0.876 114.5 46.5 -63.5 -43.5 55.2 37.3 -2.1 78 86 A E T 3< S+ 0 0 109 -4,-4.6 4,-0.2 1,-0.2 -1,-0.2 0.590 104.9 61.1 -81.9 -11.5 51.8 36.1 -3.4 79 87 A Q T 3>>S+ 0 0 140 -5,-0.4 4,-0.7 -3,-0.3 5,-0.7 0.614 97.7 58.0 -88.2 -17.7 50.9 39.5 -4.8 80 88 A F I <4>S+ 0 0 126 -3,-0.6 5,-1.0 -4,-0.5 -2,-0.2 0.746 102.8 60.9 -67.8 -25.9 53.9 39.2 -7.0 81 89 A L I 45S+ 0 0 112 -4,-0.5 -2,-0.2 3,-0.2 -1,-0.2 0.531 106.3 35.8 -89.1 -8.5 52.1 36.0 -8.2 82 90 A K I 45S+ 0 0 179 -3,-0.3 4,-0.2 -4,-0.2 -2,-0.1 0.822 133.1 2.2-111.3 -50.9 48.9 37.4 -9.7 83 91 A E I <5S+ 0 0 140 -4,-0.7 4,-0.3 2,-0.1 -3,-0.1 0.522 127.3 55.0-118.2 -7.7 49.3 40.8 -11.4 84 92 A E I > S+ 0 0 20 1,-0.3 4,-1.2 -4,-0.2 -1,-0.2 0.862 92.5 71.1 -52.9 -34.4 52.0 37.9 -15.8 87 95 A S H 34 S+ 0 0 55 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.502 107.5 36.7 -56.1 -1.7 53.4 41.3 -16.9 88 96 A F H X> S+ 0 0 96 -3,-1.8 4,-2.0 2,-0.1 3,-0.6 0.769 99.8 61.7-131.7 -54.9 56.6 39.5 -17.6 89 97 A F H 3X S+ 0 0 136 -4,-1.2 4,-0.7 1,-0.3 -2,-0.1 0.860 101.7 62.1 -56.2 -37.2 56.3 36.0 -19.0 90 98 A R H 3X S+ 0 0 167 -4,-1.2 4,-2.8 2,-0.2 3,-0.3 0.924 107.6 42.4 -47.6 -49.4 54.5 37.6 -22.0 91 99 A Q H <>>S+ 0 0 104 -3,-0.6 4,-2.1 2,-0.3 5,-0.6 0.964 107.2 54.9 -74.5 -55.7 57.6 39.6 -22.9 92 100 A L H <>S+ 0 0 18 -4,-2.0 5,-1.3 1,-0.2 -1,-0.3 0.671 115.9 47.6 -47.9 -16.3 60.3 36.9 -22.4 93 101 A Y H <5S+ 0 0 197 -4,-0.7 -2,-0.3 -5,-0.3 3,-0.3 0.882 115.8 39.9 -86.3 -55.0 58.0 35.2 -24.8 94 102 A T H <5S+ 0 0 111 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.980 115.8 45.5 -56.3 -64.9 57.5 38.1 -27.3 95 103 A L T <5S- 0 0 118 -4,-2.1 -1,-0.2 1,-0.1 -3,-0.2 0.629 116.2-106.5 -68.1 -13.8 61.0 39.5 -27.6 96 104 A G T < + 0 0 54 -5,-0.6 2,-0.5 -3,-0.3 -3,-0.2 0.905 59.2 162.2 90.1 52.0 62.6 36.1 -27.8 97 105 A I < - 0 0 29 -5,-1.3 -1,-0.2 -6,-0.3 -2,-0.0 -0.912 32.6-135.6-109.9 122.0 64.2 35.6 -24.4 98 106 A S > - 0 0 52 -2,-0.5 4,-1.7 1,-0.1 5,-0.2 -0.331 16.1-129.2 -58.9 150.0 65.3 32.2 -23.1 99 107 A I H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.978 115.4 47.8 -61.7 -60.2 64.4 31.5 -19.5 100 108 A K H > S+ 0 0 159 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.560 106.1 67.7 -59.2 -6.4 68.0 30.5 -18.7 101 109 A E H > S+ 0 0 97 2,-0.2 4,-0.9 1,-0.1 3,-0.3 0.969 106.7 32.0 -71.4 -66.0 68.7 33.7 -20.5 102 110 A I H < S+ 0 0 52 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.759 115.5 64.0 -61.8 -24.7 67.2 36.1 -17.9 103 111 A E H >X S+ 0 0 96 -4,-2.3 3,-2.4 1,-0.2 4,-0.9 0.917 90.5 63.6 -69.0 -45.0 68.3 33.5 -15.3 104 112 A K H >X S+ 0 0 131 -4,-1.2 3,-1.2 -3,-0.3 4,-0.8 0.915 106.1 46.4 -36.4 -51.8 72.0 34.1 -16.1 105 113 A X H 3< S+ 0 0 110 -4,-0.9 -1,-0.3 1,-0.3 4,-0.2 0.238 100.0 63.8 -95.6 15.2 71.6 37.7 -14.9 106 114 A Y H <> S+ 0 0 132 -3,-2.4 4,-1.5 2,-0.1 -1,-0.3 0.476 103.7 51.4 -93.4 -12.9 69.7 36.9 -11.7 107 115 A Y H << S+ 0 0 147 -3,-1.2 4,-0.4 -4,-0.9 -2,-0.2 0.675 110.0 45.9-100.1 -22.9 72.8 35.1 -10.5 108 116 A E T X S+ 0 0 85 -4,-0.8 4,-0.8 2,-0.2 3,-0.2 0.797 110.9 57.2 -76.9 -38.0 75.2 38.0 -11.3 109 117 A F H >> S+ 0 0 98 -4,-0.2 3,-1.6 1,-0.2 4,-1.2 0.974 106.0 47.7 -45.1 -61.3 72.5 40.1 -9.6 110 118 A I H 3X S+ 0 0 57 -4,-1.5 4,-1.2 1,-0.3 -1,-0.2 0.769 103.5 64.5 -57.0 -26.9 72.8 38.1 -6.4 111 119 A Q H 34 S+ 0 0 116 -4,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.736 99.0 50.8 -75.3 -23.2 76.6 38.3 -6.5 112 120 A R H << S+ 0 0 179 -3,-1.6 -1,-0.2 -4,-0.8 -2,-0.2 0.876 104.9 54.8 -86.2 -42.1 76.7 42.1 -6.0 113 121 A Q H < 0 0 114 -4,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.862 360.0 360.0 -41.0 -41.2 74.4 41.9 -3.0 114 122 A N < 0 0 135 -4,-1.2 -2,-0.3 -5,-0.2 -3,-0.2 0.974 360.0 360.0 -83.4 360.0 77.1 39.5 -1.9 115 !* 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 0.0 116 8 B A >> 0 0 81 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 148.9 26.9 59.7 10.4 117 9 B I H 3> + 0 0 73 2,-0.3 4,-0.5 1,-0.3 5,-0.3 0.629 360.0 73.4 -86.9 -17.3 28.3 60.2 14.0 118 10 B Y H 34 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.1 42,-0.3 0.747 124.7 17.1 -40.2 -29.9 25.1 61.0 15.7 119 11 B L H <> S+ 0 0 52 -3,-1.2 4,-0.6 2,-0.2 -2,-0.3 0.397 106.9 82.3-137.0 -7.8 24.9 57.3 15.1 120 12 B Q H < S+ 0 0 92 -4,-0.7 -3,-0.2 2,-0.1 -2,-0.1 0.525 111.1 31.0 -71.5 -7.6 28.5 56.3 14.3 121 13 B I T >< S+ 0 0 42 -4,-0.5 3,-2.1 -5,-0.2 4,-0.2 0.675 105.6 68.2-115.9 -40.4 28.7 56.2 18.1 122 14 B A T 3> S+ 0 0 0 -5,-0.3 4,-0.8 1,-0.3 3,-0.3 0.718 107.7 46.3 -52.5 -20.5 25.2 55.2 19.2 123 15 B D T 3< S+ 0 0 56 -4,-0.6 4,-0.4 1,-0.2 -1,-0.3 0.552 98.4 69.7 -97.0 -12.4 26.2 51.9 17.6 124 16 B R T <4 S+ 0 0 155 -3,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.272 105.5 42.0 -86.3 11.3 29.6 51.9 19.3 125 17 B I T >> S+ 0 0 10 -3,-0.3 3,-0.6 -4,-0.2 4,-0.5 0.701 95.8 66.3-121.8 -50.4 27.8 51.3 22.6 126 18 B C H 3X S+ 0 0 5 -4,-0.8 4,-1.3 1,-0.2 3,-0.2 0.706 100.6 60.8 -52.3 -19.5 25.0 48.7 22.1 127 19 B D H 3> S+ 0 0 59 -4,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.927 92.6 56.4 -77.9 -48.8 27.8 46.2 21.4 128 20 B D H <4>S+ 0 0 15 -3,-0.6 6,-2.1 1,-0.2 5,-0.9 0.492 109.8 53.8 -63.1 -1.4 29.7 46.3 24.7 129 21 B I H ><5S+ 0 0 0 -4,-0.5 3,-2.1 -3,-0.2 -1,-0.2 0.779 101.2 53.5 -94.7 -43.2 26.3 45.3 26.1 130 22 B L H 3<5S+ 0 0 55 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.621 107.2 58.1 -59.0 -12.3 25.9 42.4 23.8 131 23 B L T 3<5S- 0 0 96 -4,-0.9 -1,-0.3 3,-0.1 -2,-0.1 0.285 110.3-123.6-104.2 7.7 29.3 41.4 25.2 132 24 B G T < 5S+ 0 0 33 -3,-2.1 3,-0.2 2,-0.3 -3,-0.2 0.734 82.2 118.0 51.4 23.7 28.1 41.3 28.8 133 25 B Q S - 0 0 125 -2,-0.8 3,-2.7 -3,-0.2 42,-0.6 -0.269 25.2-101.7 -54.6 133.8 25.4 44.0 32.5 136 28 B E B 3 S+d 177 0B 58 1,-0.3 43,-0.2 -7,-0.2 42,-0.2 -0.380 115.9 11.8 -48.7 131.7 21.8 44.4 31.5 137 29 B E T 3 S+ 0 0 90 40,-3.4 -1,-0.3 1,-0.3 2,-0.2 0.534 113.4 115.3 60.4 4.6 20.2 46.6 34.2 138 30 B G S < S- 0 0 17 -3,-2.7 39,-2.9 1,-0.1 -1,-0.3 -0.668 70.5 -92.3 -98.2 167.4 23.8 47.1 35.2 139 31 B R E -E 176 0B 109 37,-0.3 37,-0.3 -2,-0.2 -1,-0.1 -0.013 32.3-161.3 -88.3 172.8 25.5 50.4 35.0 140 32 B I E -E 175 0B 11 35,-3.5 35,-0.6 -6,-0.1 2,-0.1 -0.861 30.9 -60.3-149.0-173.5 27.5 52.4 32.5 141 33 B P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.294 38.7-112.8 -91.0 143.9 29.8 55.4 32.2 142 34 B S >> - 0 0 41 1,-0.1 4,-2.3 -2,-0.1 3,-0.8 -0.500 27.0-136.2 -58.3 126.7 29.6 59.1 33.0 143 35 B V H 3> S+ 0 0 53 1,-0.3 4,-1.0 -2,-0.3 -1,-0.1 0.942 103.4 63.2 -51.7 -54.0 29.8 60.9 29.7 144 36 B R H 34 S+ 0 0 201 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.843 110.4 41.9 -39.2 -41.2 32.2 63.5 31.1 145 37 B E H <4 S+ 0 0 110 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.884 105.0 59.8 -77.9 -41.1 34.5 60.5 31.5 146 38 B Y H < 0 0 97 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.508 360.0 360.0 -64.6 0.8 33.6 59.0 28.1 147 39 B A < 0 0 56 -4,-1.0 3,-0.7 -5,-0.3 -1,-0.2 0.987 360.0 360.0 -62.7 360.0 35.0 62.3 27.0 148 ! 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 0.0 149 44 B V 0 0 136 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 30.3 38.4 62.2 22.5 150 45 B N + 0 0 84 -3,-0.7 0, 0.0 -4,-0.4 0, 0.0 -0.991 360.0 170.3-152.7 142.2 35.0 64.0 22.5 151 46 B A > + 0 0 30 -2,-0.3 4,-0.5 2,-0.1 -4,-0.1 0.334 69.0 81.1-129.5 -0.9 32.0 64.4 24.8 152 47 B N T >4 S+ 0 0 136 2,-0.2 3,-1.7 1,-0.2 4,-0.3 0.995 98.2 35.1 -70.4 -68.1 30.1 67.0 22.9 153 48 B T T >> S+ 0 0 43 1,-0.3 3,-2.3 2,-0.2 4,-1.4 0.709 101.0 83.9 -60.5 -19.5 28.3 65.0 20.2 154 49 B V H 3> S+ 0 0 15 1,-0.3 4,-3.0 2,-0.2 5,-0.5 0.854 78.8 64.2 -52.1 -37.7 28.0 62.3 22.8 155 50 B X H << S+ 0 0 154 -3,-1.7 4,-0.5 -4,-0.5 -1,-0.3 0.756 106.2 44.2 -59.6 -24.4 24.9 64.1 24.1 156 51 B R H <> S+ 0 0 125 -3,-2.3 4,-1.8 -4,-0.3 -1,-0.3 0.651 112.3 54.0 -91.8 -21.1 23.4 63.3 20.7 157 52 B S H X S+ 0 0 1 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.980 110.8 42.2 -66.5 -67.9 24.8 59.7 20.9 158 53 B Y H X S+ 0 0 24 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.825 110.6 63.8 -47.6 -33.9 23.2 59.0 24.3 159 54 B E H >> S+ 0 0 80 -5,-0.5 4,-2.4 -4,-0.5 3,-0.7 0.986 101.5 45.9 -50.2 -65.6 20.2 60.7 22.7 160 55 B Y H 3< S+ 0 0 37 -4,-1.8 -1,-0.2 -42,-0.3 -2,-0.2 0.849 114.8 49.7 -44.1 -40.3 19.8 58.0 20.0 161 56 B L H 3<>S+ 0 0 2 -4,-1.7 5,-1.6 2,-0.2 6,-1.2 0.758 111.3 46.1 -85.6 -26.9 20.3 55.3 22.6 162 57 B Q H X<5S+ 0 0 89 -4,-2.1 3,-3.5 -3,-0.7 -2,-0.2 0.954 112.1 49.1 -71.5 -58.1 17.7 56.7 25.1 163 58 B S T 3<5S+ 0 0 83 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.566 110.0 57.3 -59.7 -6.3 15.0 57.3 22.5 164 59 B Q T 3 5S- 0 0 55 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.148 110.9-125.0-109.7 15.4 15.9 53.8 21.5 165 60 B E T < 5S+ 0 0 147 -3,-3.5 -3,-0.2 2,-0.2 -2,-0.1 0.549 77.5 123.5 62.7 4.5 15.1 52.4 24.9 166 61 B V S > -F 174 0B 100 4,-1.7 3,-1.4 -2,-0.4 4,-1.1 -0.950 43.2-104.8-108.1 130.3 18.0 57.6 37.6 171 66 B R T 34 S- 0 0 241 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.335 97.1 -14.6 -69.9 97.8 17.5 61.2 38.8 172 67 B G T 34 S+ 0 0 77 -2,-1.0 -1,-0.3 2,-0.0 -3,-0.0 0.156 125.5 81.6 103.4 -12.2 20.8 62.4 40.2 173 68 B I T <4 S- 0 0 115 -3,-1.4 2,-0.3 1,-0.2 -2,-0.2 0.928 85.8-117.4 -89.9 -57.5 22.4 58.9 40.3 174 69 B G E < - F 0 170B 11 -4,-1.1 -4,-1.7 -33,-0.0 2,-0.4 -0.981 37.7 -32.6 142.5-157.3 23.6 57.9 36.8 175 70 B F E +EF 140 169B 51 -35,-0.6 -35,-3.5 -2,-0.3 2,-0.2 -0.893 37.4 174.8-126.6 127.6 23.2 55.4 33.9 176 71 B F E -EF 139 168B 43 -8,-0.6 -8,-1.2 -2,-0.4 2,-0.5 -0.705 36.7-103.8-117.8 164.4 22.3 51.7 33.3 177 72 B V E -dF 136 167B 0 -39,-2.9 -40,-3.4 -42,-0.6 -10,-0.2 -0.810 42.6-116.1 -85.8 124.3 21.7 49.3 30.4 178 73 B A > - 0 0 16 -12,-1.8 3,-1.8 -2,-0.5 4,-0.3 -0.380 44.0 -94.8 -55.2 134.4 18.0 48.7 29.9 179 74 B S T 3 S+ 0 0 74 1,-0.3 -1,-0.1 -43,-0.2 5,-0.1 -0.124 109.6 11.0 -54.5 150.7 17.3 45.0 30.6 180 75 B G T 3> S+ 0 0 20 1,-0.2 4,-2.4 3,-0.1 -1,-0.3 0.789 82.3 132.6 46.3 26.2 17.3 42.8 27.5 181 76 B A H <> S+ 0 0 0 -3,-1.8 4,-3.2 2,-0.3 5,-0.2 0.725 70.1 67.7 -71.4 -23.7 18.7 45.8 25.7 182 77 B K H > S+ 0 0 60 -4,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.941 112.4 28.8 -43.5 -49.0 20.9 42.9 24.7 183 78 B X H > S+ 0 0 142 2,-0.2 4,-1.1 1,-0.2 -2,-0.3 0.713 117.0 58.3 -94.2 -21.9 17.6 41.9 23.0 184 79 B L H X S+ 0 0 38 -4,-2.4 4,-1.0 -6,-0.2 -3,-0.2 0.876 111.6 44.4 -68.8 -35.1 16.4 45.4 22.5 185 80 B I H X S+ 0 0 2 -4,-3.2 4,-1.3 2,-0.2 -2,-0.2 0.777 106.2 57.2 -81.0 -33.9 19.6 46.1 20.5 186 81 B H H X S+ 0 0 124 -4,-1.2 4,-0.6 -5,-0.2 -1,-0.2 0.897 107.3 52.6 -56.0 -45.8 19.6 42.9 18.4 187 82 B S H X S+ 0 0 75 -4,-1.1 4,-1.1 1,-0.2 3,-0.4 0.836 103.1 55.3 -62.5 -42.2 16.1 43.9 17.2 188 83 B L H X S+ 0 0 34 -4,-1.0 4,-0.9 1,-0.2 3,-0.3 0.935 106.6 47.9 -57.1 -55.7 17.0 47.4 16.0 189 84 B R H < S+ 0 0 73 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.540 102.7 67.1 -69.7 -13.1 19.9 46.5 13.6 190 85 B K H >X S+ 0 0 142 -4,-0.6 4,-1.5 -3,-0.4 3,-1.4 0.940 103.1 40.4 -70.0 -55.7 17.8 43.7 12.0 191 86 B E H 3X S+ 0 0 136 -4,-1.1 4,-1.3 1,-0.3 5,-0.3 0.722 108.8 63.9 -74.4 -15.5 15.2 46.0 10.4 192 87 B Q H 3< S+ 0 0 91 -4,-0.9 -1,-0.3 3,-0.2 -2,-0.1 -0.021 107.2 44.3 -90.1 27.9 18.0 48.3 9.4 193 88 B F H <>>S+ 0 0 107 -3,-1.4 5,-1.9 3,-0.1 4,-1.6 0.483 113.8 43.4-128.6 -38.0 19.4 45.6 7.3 194 89 B L H <5S+ 0 0 90 -4,-1.5 5,-0.4 3,-0.2 -2,-0.1 0.765 123.8 40.4 -82.7 -28.1 16.4 44.2 5.5 195 90 B K T <5S+ 0 0 176 -4,-1.3 4,-0.3 -5,-0.3 -3,-0.2 0.903 122.9 42.6 -68.3 -50.7 15.2 47.8 4.9 196 91 B E T 45S+ 0 0 134 -5,-0.3 4,-0.4 2,-0.1 -2,-0.2 0.982 130.6 0.4 -68.6 -67.7 18.7 49.0 4.1 197 92 B E T >X5S+ 0 0 99 -4,-1.6 4,-2.9 2,-0.1 3,-0.9 0.881 113.1 70.4-101.5 -46.5 20.6 46.6 1.9 198 93 B V H 3> S+ 0 0 26 -5,-0.4 4,-1.1 1,-0.3 -1,-0.2 0.847 113.8 33.3 -68.3 -40.1 16.2 45.6 -1.2 200 95 B S H <4 S+ 0 0 78 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.862 119.3 55.7 -65.8 -41.9 19.0 46.6 -3.6 201 96 B F H >X S+ 0 0 96 -4,-2.9 4,-1.6 1,-0.3 3,-1.3 0.896 106.9 47.7 -67.5 -42.8 20.6 43.2 -3.0 202 97 B F H 3X S+ 0 0 131 -4,-5.2 4,-1.8 1,-0.2 -1,-0.3 0.931 109.6 56.2 -50.2 -49.6 17.4 41.4 -4.0 203 98 B R H 3< S+ 0 0 186 -4,-1.1 4,-0.4 -5,-0.4 -1,-0.2 0.206 105.5 53.5 -73.8 16.2 17.4 43.8 -7.0 204 99 B Q H <> S+ 0 0 97 -3,-1.3 4,-2.3 2,-0.1 -1,-0.2 0.702 102.3 49.6-116.8 -44.6 20.9 42.6 -7.9 205 100 B L H X>S+ 0 0 21 -4,-1.6 5,-1.9 2,-0.2 4,-1.4 0.929 113.0 57.1 -48.1 -44.1 20.5 38.9 -8.1 206 101 B Y H ><5S+ 0 0 205 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.949 111.2 36.6 -51.4 -64.8 17.5 40.0 -10.2 207 102 B T H 345S+ 0 0 112 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.753 118.8 53.0 -63.4 -27.5 19.5 42.0 -12.8 208 103 B L H 3<5S- 0 0 105 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.606 106.5-119.8 -86.4 -17.6 22.4 39.5 -12.6 209 104 B G T <<5 + 0 0 70 -4,-1.4 2,-0.3 -3,-0.9 -3,-0.2 0.782 63.4 142.1 77.1 27.5 20.5 36.3 -13.3 210 105 B I < - 0 0 62 -5,-1.9 -1,-0.3 -6,-0.2 2,-0.2 -0.780 36.9-143.0 -99.2 147.8 21.5 34.6 -10.0 211 106 B S > - 0 0 62 -2,-0.3 4,-0.9 1,-0.1 5,-0.1 -0.591 20.7-124.6-109.7 166.6 19.1 32.4 -8.0 212 107 B I H > S+ 0 0 89 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.821 113.2 59.1 -79.3 -29.5 18.3 31.8 -4.4 213 108 B K H 4 S+ 0 0 134 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.891 110.9 43.9 -64.1 -35.2 18.8 28.1 -4.8 214 109 B E H > S+ 0 0 109 2,-0.2 4,-1.3 1,-0.1 -2,-0.2 0.687 116.5 47.0 -75.8 -18.3 22.4 29.1 -5.9 215 110 B I H X S+ 0 0 47 -4,-0.9 4,-1.3 2,-0.2 -2,-0.2 0.812 109.7 49.8 -94.6 -33.4 22.7 31.7 -3.0 216 111 B E H X S+ 0 0 67 -4,-3.0 4,-0.8 2,-0.2 -1,-0.2 0.425 107.4 60.9 -80.4 0.1 21.4 29.4 -0.3 217 112 B K H > S+ 0 0 133 -5,-0.2 4,-1.8 2,-0.1 5,-0.2 0.898 109.6 38.0 -75.6 -64.9 24.0 26.9 -1.7 218 113 B X H < S+ 0 0 100 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.705 117.2 53.7 -64.2 -21.5 26.9 29.2 -1.0 219 114 B Y H >X S+ 0 0 134 -4,-1.3 3,-2.0 2,-0.2 4,-0.7 0.969 107.0 46.2 -77.2 -53.8 25.4 30.3 2.2 220 115 B Y H 3< S+ 0 0 160 -4,-0.8 4,-0.3 1,-0.3 3,-0.2 0.774 119.0 45.5 -58.3 -25.7 24.8 26.8 3.8 221 116 B E T 3< S+ 0 0 91 -4,-1.8 -1,-0.3 1,-0.2 4,-0.3 0.501 98.5 73.5 -90.9 -6.7 28.4 26.0 2.7 222 117 B F T X4 S+ 0 0 76 -3,-2.0 3,-0.5 -5,-0.2 4,-0.3 0.678 86.9 61.8 -82.4 -18.8 29.6 29.4 4.0 223 118 B I G >X S+ 0 0 62 -4,-0.7 3,-1.8 -3,-0.2 4,-0.6 0.841 87.0 72.8 -73.1 -35.3 29.3 28.2 7.6 224 119 B Q G >4 S+ 0 0 167 -4,-0.3 3,-0.6 1,-0.3 -1,-0.2 0.799 94.6 56.7 -43.2 -31.7 31.9 25.5 7.0 225 120 B R G <4 S+ 0 0 171 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.786 103.8 49.0 -76.9 -28.5 34.3 28.4 7.0 226 121 B Q G <4 0 0 115 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.356 360.0 360.0-100.2 3.8 33.6 29.8 10.4 227 122 B N << 0 0 177 -3,-0.6 -2,-0.2 -4,-0.6 -1,-0.1 0.763 360.0 360.0-110.9 360.0 33.7 26.5 12.3