==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RIBONUCLEASE INHIBITOR 25-DEC-97 1A19 . COMPND 2 MOLECULE: BARSTAR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; . AUTHOR G.S.RATNAPARKHI,R.VARADARAJAN . 178 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 83.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.2 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 . 22 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 5.1 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 2 0 2 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 K 0 0 133 0, 0.0 49,-3.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -56.2 98.9 51.7 -5.8 2 2 A K E -a 50 0A 121 47,-0.2 2,-0.4 21,-0.1 49,-0.2 -0.939 360.0-175.1-112.7 128.4 97.5 49.7 -2.9 3 3 A A E -a 51 0A 0 47,-2.4 49,-2.6 -2,-0.5 2,-0.4 -0.918 6.1-160.3-121.0 147.7 96.7 51.4 0.4 4 4 A V E +a 52 0A 33 -2,-0.4 2,-0.5 47,-0.2 49,-0.2 -0.951 9.3 179.2-137.0 121.8 95.5 49.8 3.6 5 5 A I E -a 53 0A 0 47,-2.8 49,-2.3 -2,-0.4 2,-0.7 -0.964 9.1-164.5-118.9 126.9 93.8 51.3 6.5 6 6 A N E >> -a 54 0A 50 -2,-0.5 3,-2.1 47,-0.2 4,-0.9 -0.922 12.5-154.7-114.2 106.0 92.7 49.3 9.6 7 7 A G T 34 S+ 0 0 4 47,-2.6 48,-0.1 -2,-0.7 -1,-0.1 0.560 84.3 88.0 -54.2 -4.8 90.3 51.2 11.7 8 8 A E T 34 S+ 0 0 132 46,-0.2 -1,-0.3 1,-0.2 47,-0.1 0.892 101.1 25.1 -62.0 -39.2 91.7 49.0 14.5 9 9 A Q T <4 S+ 0 0 94 -3,-2.1 2,-3.0 1,-0.1 3,-0.2 0.675 89.9 102.3-100.9 -20.7 94.4 51.5 15.2 10 10 A I < + 0 0 4 -4,-0.9 -1,-0.1 1,-0.2 52,-0.1 -0.374 38.8 160.0 -66.9 76.2 93.0 54.8 14.0 11 11 A R + 0 0 159 -2,-3.0 2,-0.3 1,-0.1 -1,-0.2 0.683 63.6 26.3 -72.6 -17.8 92.2 55.8 17.5 12 12 A S S >> S- 0 0 41 -3,-0.2 4,-1.9 51,-0.1 3,-0.6 -0.959 80.8-111.1-145.3 162.1 92.0 59.5 16.3 13 13 A I H 3> S+ 0 0 58 -2,-0.3 4,-0.9 1,-0.3 50,-0.1 0.636 121.9 52.5 -67.6 -11.4 91.3 61.7 13.3 14 14 A S H 3> S+ 0 0 56 2,-0.2 4,-2.1 3,-0.1 -1,-0.3 0.724 101.2 58.7 -92.3 -25.8 95.0 62.5 13.3 15 15 A D H <> S+ 0 0 52 -3,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.931 103.1 56.4 -63.1 -43.4 95.9 58.8 13.3 16 16 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.888 110.6 40.7 -52.4 -49.4 93.9 58.8 10.1 17 17 A H H X S+ 0 0 11 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.775 110.9 56.7 -74.0 -30.2 96.1 61.5 8.5 18 18 A Q H X S+ 0 0 75 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.886 112.6 44.1 -67.0 -37.1 99.3 60.1 9.8 19 19 A T H X S+ 0 0 32 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.909 112.1 49.0 -74.0 -46.6 98.4 56.8 8.1 20 20 A L H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 6,-0.5 0.932 106.1 60.0 -58.7 -45.7 97.2 58.2 4.8 21 21 A K H <>S+ 0 0 48 -4,-2.2 5,-1.5 1,-0.2 -1,-0.2 0.908 115.8 32.6 -48.7 -48.6 100.4 60.3 4.7 22 22 A K H <5S+ 0 0 134 -4,-1.3 3,-0.4 3,-0.2 -2,-0.2 0.918 119.9 49.6 -76.5 -45.8 102.5 57.0 4.8 23 23 A E H <5S+ 0 0 81 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.883 122.8 32.2 -62.4 -41.5 100.1 54.7 2.9 24 24 A L T <5S- 0 0 15 -4,-3.2 -1,-0.3 -5,-0.3 22,-0.2 0.355 105.9-129.2 -96.7 4.3 99.6 57.1 0.0 25 25 A A T 5 - 0 0 66 -3,-0.4 -3,-0.2 -5,-0.3 -4,-0.2 0.879 40.2-173.9 48.6 44.0 103.1 58.4 0.5 26 26 A L < - 0 0 13 -5,-1.5 -1,-0.1 -6,-0.5 11,-0.0 -0.004 34.0 -68.0 -58.4 172.6 101.8 62.0 0.5 27 27 A P > - 0 0 6 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.226 42.2-113.1 -66.2 156.8 104.2 65.0 0.5 28 28 A E T 3 S+ 0 0 185 1,-0.3 -2,-0.1 -3,-0.1 -7,-0.0 0.786 118.3 51.9 -57.4 -30.6 106.3 65.7 3.6 29 29 A Y T 3 S+ 0 0 178 2,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.339 73.9 153.4 -89.9 6.3 104.4 68.9 4.2 30 30 A Y < - 0 0 10 -3,-2.1 7,-0.1 1,-0.2 -9,-0.1 -0.109 38.0-149.4 -39.8 115.2 101.0 67.2 4.1 31 31 A G - 0 0 47 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.407 25.9-123.7 -74.4 2.9 98.9 69.5 6.2 32 32 A E S S+ 0 0 58 1,-0.2 2,-0.3 -15,-0.1 -15,-0.1 0.976 70.3 114.9 51.3 66.1 96.6 66.7 7.5 33 33 A N S >> S- 0 0 63 -16,-0.1 4,-2.0 1,-0.1 3,-0.9 -0.951 79.6-110.6-161.8 146.2 93.4 68.3 6.4 34 34 A L H 3> S+ 0 0 69 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.820 119.8 56.4 -48.0 -34.5 90.7 67.5 3.9 35 35 A D H 3> S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.919 109.6 43.6 -66.9 -41.0 91.8 70.4 1.8 36 36 A A H <> S+ 0 0 21 -3,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.741 113.3 52.7 -75.6 -22.6 95.4 69.0 1.7 37 37 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.947 107.9 50.4 -75.9 -48.1 94.0 65.5 1.0 38 38 A W H X S+ 0 0 73 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.932 112.5 45.8 -51.5 -54.0 91.9 66.7 -1.9 39 39 A D H <>S+ 0 0 102 -4,-1.9 5,-0.5 1,-0.2 -1,-0.2 0.914 112.9 50.7 -55.9 -46.2 94.8 68.5 -3.5 40 40 A C H >X>S+ 0 0 12 -4,-1.6 5,-2.7 1,-0.2 3,-0.8 0.822 111.2 49.1 -60.3 -34.6 97.1 65.5 -3.0 41 41 A L H 3<5S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.815 111.7 51.3 -74.5 -30.7 94.4 63.4 -4.6 42 42 A T T 3<5S- 0 0 75 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.112 133.9 -5.5 -96.1 22.7 94.2 65.8 -7.5 43 43 A G T <45S+ 0 0 67 -3,-0.8 -3,-0.2 -5,-0.1 -2,-0.1 0.303 124.4 50.3-176.2 -39.6 97.9 66.0 -8.3 44 44 A W T < -a 5 0A 0 34,-2.9 3,-0.6 -2,-0.6 36,-0.3 -0.830 10.7-160.5-108.8 92.2 89.5 50.2 4.6 54 54 A R E 3 S-a 6 0A 97 -49,-2.3 -47,-2.6 -2,-0.8 -46,-0.2 -0.519 72.7 -0.8 -72.9 134.3 89.3 47.3 7.0 55 55 A Q T 3> + 0 0 98 -2,-0.2 4,-1.1 -49,-0.2 3,-0.4 0.936 68.7 179.8 51.2 57.2 86.8 47.6 9.8 56 56 A F H <> S+ 0 0 6 33,-1.1 4,-0.7 -3,-0.6 -1,-0.1 0.725 70.8 75.6 -58.1 -19.9 85.6 51.1 8.8 57 57 A E H >> S+ 0 0 65 2,-0.2 4,-2.4 3,-0.2 3,-1.2 0.970 97.1 38.2 -57.7 -62.4 83.2 50.8 11.8 58 58 A Q H 3> S+ 0 0 77 -3,-0.4 4,-3.0 1,-0.3 3,-0.2 0.980 114.7 54.1 -51.2 -64.5 85.7 51.4 14.6 59 59 A S H 3< S+ 0 0 0 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.626 111.7 49.2 -47.2 -16.4 87.6 54.1 12.6 60 60 A K H X<>S+ 0 0 25 -3,-1.2 5,-2.0 -4,-0.7 3,-0.7 0.905 117.7 34.7 -89.2 -52.3 84.2 55.8 12.2 61 61 A Q H ><5S+ 0 0 101 -4,-2.4 3,-1.3 1,-0.2 2,-0.7 0.909 112.1 58.4 -69.6 -46.6 83.0 55.7 15.8 62 62 A L T 3<5S+ 0 0 92 -4,-3.0 -1,-0.2 1,-0.3 -3,-0.1 0.014 108.1 50.7 -76.4 33.1 86.4 56.3 17.5 63 63 A T T X 5S- 0 0 3 -3,-0.7 3,-2.0 -2,-0.7 -1,-0.3 0.122 117.5 -99.6-155.1 23.7 86.8 59.5 15.6 64 64 A E T < 5S- 0 0 168 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.800 80.2 -63.7 57.9 28.6 83.6 61.5 16.1 65 65 A N T > + 0 0 16 -3,-2.0 4,-0.8 -6,-0.3 -2,-0.1 0.450 55.3 72.8 -79.9 0.5 85.3 62.2 11.1 67 67 A A H 3> S+ 0 0 0 -7,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.719 85.6 65.5 -84.7 -23.1 86.2 59.2 8.9 68 68 A E H <> S+ 0 0 39 -3,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.805 99.0 50.3 -70.7 -30.1 83.2 59.7 6.7 69 69 A S H > S+ 0 0 51 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.924 110.3 50.6 -73.2 -43.6 84.4 63.1 5.3 70 70 A V H >X S+ 0 0 0 -4,-0.8 4,-1.6 1,-0.2 3,-1.3 0.974 111.1 48.0 -55.2 -56.4 87.7 61.6 4.5 71 71 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.821 108.4 55.7 -54.5 -33.6 86.1 58.7 2.6 72 72 A Q H 3X S+ 0 0 80 -4,-1.4 4,-1.0 2,-0.2 -1,-0.3 0.786 101.8 56.6 -71.2 -26.4 83.8 61.2 0.8 73 73 A V H S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 5,-1.6 0.936 110.2 50.5 -56.6 -47.9 88.1 62.2 -6.5 78 78 A K H <5S+ 0 0 48 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.915 111.1 50.6 -53.3 -47.5 86.7 59.0 -8.1 79 79 A A H <5S+ 0 0 34 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.959 107.6 49.2 -56.7 -60.0 83.7 61.0 -9.2 80 80 A E H <5S- 0 0 136 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.842 137.1 -84.7 -51.4 -33.8 85.6 63.9 -10.8 81 81 A G T <5S+ 0 0 55 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.161 76.4 145.0 156.1 -32.4 87.5 61.1 -12.5 82 82 A A < - 0 0 24 -5,-1.6 2,-1.6 1,-0.2 -1,-0.2 0.085 55.8-117.4 -36.9 139.9 90.4 59.7 -10.5 83 83 A D + 0 0 93 2,-0.0 -34,-2.0 -33,-0.0 2,-0.4 -0.631 58.6 151.0 -86.5 83.3 91.0 55.9 -11.0 84 84 A I E -b 49 0A 2 -2,-1.6 2,-0.4 -36,-0.2 -34,-0.2 -0.924 32.1-162.7-119.5 140.8 90.3 54.8 -7.4 85 85 A T E -b 50 0A 35 -36,-2.4 -34,-3.5 -2,-0.4 2,-0.6 -0.989 10.3-158.8-121.2 130.8 88.9 51.5 -6.2 86 86 A I E -bC 51 178A 0 92,-1.2 92,-2.7 -2,-0.4 2,-0.7 -0.928 7.3-170.5-118.5 112.7 87.5 51.4 -2.7 87 87 A I E -bC 52 177A 31 -36,-2.7 -34,-2.9 -2,-0.6 2,-1.2 -0.886 5.8-163.7-101.9 113.7 87.1 48.2 -0.7 88 88 A L E C 0 176A 2 88,-3.0 88,-1.1 -2,-0.7 -34,-0.2 -0.703 360.0 360.0 -96.6 81.6 85.2 48.6 2.5 89 89 A S 0 0 23 -2,-1.2 -33,-1.1 -36,-0.3 86,-0.1 -0.006 360.0 360.0 -96.2 360.0 86.1 45.4 4.4 90 !* 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 91 1 B K 0 0 138 0, 0.0 49,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -55.5 78.7 34.7 -1.6 92 2 B K E -d 140 0A 124 47,-0.2 2,-0.3 21,-0.1 49,-0.2 -0.919 360.0-175.5-111.8 133.1 79.7 36.9 -4.5 93 3 B A E -d 141 0A 0 47,-2.2 49,-2.5 -2,-0.5 2,-0.4 -0.943 6.9-158.9-125.8 147.8 77.4 39.5 -6.0 94 4 B V E +d 142 0A 33 -2,-0.3 2,-0.5 47,-0.2 49,-0.2 -0.956 9.6 179.2-137.6 122.6 78.0 41.8 -9.0 95 5 B I E -d 143 0A 0 47,-2.7 49,-2.9 -2,-0.4 2,-0.7 -0.966 8.7-165.5-119.4 125.5 76.2 45.0 -9.9 96 6 B N E >> -d 144 0A 52 -2,-0.5 3,-2.3 47,-0.2 4,-0.8 -0.917 13.0-154.3-113.1 105.5 77.1 47.0 -13.0 97 7 B G T 34 S+ 0 0 3 47,-2.6 48,-0.1 -2,-0.7 -1,-0.1 0.621 84.7 88.8 -52.6 -7.6 75.6 50.5 -12.8 98 8 B E T 34 S+ 0 0 132 46,-0.2 -1,-0.3 1,-0.2 47,-0.1 0.898 100.2 24.1 -58.9 -39.8 75.9 50.1 -16.6 99 9 B Q T <4 S+ 0 0 96 -3,-2.3 2,-2.7 1,-0.1 3,-0.2 0.619 89.5 103.5-103.3 -15.2 72.4 48.6 -16.8 100 10 B I < + 0 0 3 -4,-0.8 52,-0.1 1,-0.2 -1,-0.1 -0.441 38.5 159.5 -69.6 77.3 70.7 49.8 -13.6 101 11 B R + 0 0 155 -2,-2.7 2,-0.3 1,-0.1 -1,-0.2 0.673 63.6 25.4 -75.2 -17.6 68.7 52.4 -15.6 102 12 B S S >> S- 0 0 41 -3,-0.2 4,-1.9 51,-0.1 3,-0.8 -0.970 81.2-110.8-145.9 160.1 66.2 52.6 -12.7 103 13 B I H 3> S+ 0 0 58 -2,-0.3 4,-0.8 1,-0.3 50,-0.1 0.614 122.0 53.0 -65.7 -11.6 65.8 52.1 -9.0 104 14 B S H 3> S+ 0 0 56 2,-0.2 4,-2.1 3,-0.1 -1,-0.3 0.718 101.0 59.2 -92.1 -25.4 63.6 49.1 -9.8 105 15 B D H <> S+ 0 0 55 -3,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.937 102.5 56.6 -62.4 -45.7 66.4 47.7 -12.0 106 16 B L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.865 110.4 40.6 -50.7 -48.0 68.5 47.9 -8.8 107 17 B H H X S+ 0 0 10 -4,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.788 110.8 56.8 -76.0 -32.5 66.1 45.6 -6.8 108 18 B Q H X S+ 0 0 78 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.895 112.4 44.2 -64.8 -37.9 65.4 43.2 -9.7 109 19 B T H X S+ 0 0 34 -4,-2.2 4,-3.6 2,-0.2 5,-0.3 0.914 112.5 49.0 -71.4 -48.8 69.2 42.7 -9.8 110 20 B L H X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 6,-0.5 0.914 106.5 59.1 -58.4 -43.6 69.8 42.4 -6.1 111 21 B K H <>S+ 0 0 50 -4,-2.4 5,-1.2 1,-0.2 -1,-0.2 0.928 116.4 32.9 -51.8 -49.8 66.9 39.9 -5.9 112 22 B K H ><5S+ 0 0 130 -4,-1.3 3,-0.5 3,-0.2 -2,-0.2 0.940 120.7 48.7 -74.0 -48.1 68.7 37.6 -8.4 113 23 B E H 3<5S+ 0 0 83 -4,-3.6 -3,-0.2 1,-0.3 -2,-0.2 0.918 124.0 31.6 -58.8 -46.6 72.3 38.4 -7.3 114 24 B L T 3<5S- 0 0 16 -4,-3.4 -1,-0.3 -5,-0.3 -2,-0.2 0.380 104.1-131.6 -92.4 3.5 71.6 37.9 -3.6 115 25 B A T < 5 - 0 0 65 -3,-0.5 -3,-0.2 -5,-0.3 -4,-0.2 0.849 39.1-175.7 47.8 40.8 68.9 35.2 -4.4 116 26 B L < - 0 0 12 -5,-1.2 11,-0.0 -6,-0.5 -1,-0.0 0.078 34.9 -67.4 -54.3 176.2 66.5 37.0 -2.1 117 27 B P > - 0 0 6 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.317 44.0-109.6 -72.2 156.6 63.1 35.4 -1.4 118 28 B E T 3 S+ 0 0 182 1,-0.3 -2,-0.1 -3,-0.1 -7,-0.0 0.752 118.3 52.6 -54.5 -28.7 60.4 35.2 -4.1 119 29 B Y T 3 S+ 0 0 178 2,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.378 72.5 155.5 -90.9 5.0 58.3 37.8 -2.3 120 30 B Y < - 0 0 8 -3,-2.5 -9,-0.1 1,-0.2 7,-0.1 -0.065 35.3-151.7 -38.7 107.8 61.1 40.4 -2.1 121 31 B G - 0 0 49 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.426 26.7-122.9 -68.0 0.0 59.1 43.6 -1.9 122 32 B E S S+ 0 0 59 1,-0.2 2,-0.3 -15,-0.1 -15,-0.1 0.977 70.2 116.7 53.3 64.3 61.8 45.7 -3.6 123 33 B N S >> S- 0 0 64 -16,-0.1 4,-2.3 1,-0.1 3,-0.8 -0.951 78.5-112.3-160.1 142.5 62.1 48.2 -0.7 124 34 B L H 3> S+ 0 0 68 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.811 119.9 56.2 -45.8 -34.5 64.9 49.2 1.7 125 35 B D H 3> S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.947 109.6 44.2 -66.1 -44.5 62.8 47.7 4.4 126 36 B A H <> S+ 0 0 20 -3,-0.8 4,-1.7 1,-0.2 -2,-0.2 0.787 112.7 52.6 -71.1 -25.3 62.7 44.4 2.6 127 37 B L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.937 108.3 50.6 -74.6 -43.2 66.4 44.5 1.8 128 38 B W H X S+ 0 0 74 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.953 111.5 46.5 -55.0 -55.9 67.3 45.1 5.5 129 39 B D H < S+ 0 0 101 -4,-2.1 5,-0.5 1,-0.3 -1,-0.2 0.915 112.9 50.5 -53.6 -46.5 65.3 42.2 6.7 130 40 B C H >X>S+ 0 0 11 -4,-1.7 5,-2.5 1,-0.2 4,-1.0 0.847 110.6 49.3 -60.7 -36.4 66.8 40.1 3.9 131 41 B L H 3<5S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 112.4 50.1 -70.9 -33.3 70.2 41.2 5.0 132 42 B T T 3<5S- 0 0 77 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.109 133.1 -2.2 -93.8 21.9 69.4 40.4 8.6 133 43 B G T <45S+ 0 0 68 -3,-0.9 -3,-0.2 -5,-0.1 -2,-0.1 0.374 124.5 46.4-175.0 -35.0 68.1 36.8 8.1 134 44 B W T <5S+ 0 0 134 -4,-1.0 -3,-0.2 -5,-0.5 -4,-0.1 0.914 88.4 83.1 -91.9 -52.8 67.8 35.3 4.6 135 45 B V S -d 95 0A 0 34,-2.6 3,-0.6 -2,-0.6 36,-0.4 -0.819 11.2-159.9-104.5 95.4 79.5 47.5 -7.5 144 54 B R E 3 S-d 96 0A 91 -49,-2.9 -47,-2.6 -2,-0.9 -46,-0.2 -0.552 72.3 -1.4 -75.3 136.4 81.0 48.3 -10.9 145 55 B Q T 3> - 0 0 101 -2,-0.2 4,-1.1 -49,-0.2 3,-0.3 0.930 68.5-179.3 48.5 60.3 80.6 51.9 -12.0 146 56 B F H <> S+ 0 0 6 33,-1.0 4,-0.9 -3,-0.6 -1,-0.1 0.734 71.3 75.0 -59.4 -21.9 78.6 53.1 -9.0 147 57 B E H >> S+ 0 0 76 2,-0.2 4,-2.3 3,-0.2 3,-1.1 0.971 97.4 38.7 -56.4 -63.3 78.6 56.5 -10.8 148 58 B Q H 3> S+ 0 0 76 -3,-0.3 4,-3.1 1,-0.3 3,-0.2 0.978 114.5 53.6 -50.7 -65.1 76.0 55.7 -13.4 149 59 B S H 3< S+ 0 0 0 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.678 111.8 49.5 -45.7 -20.0 73.8 53.7 -11.1 150 60 B K H X<>S+ 0 0 21 -3,-1.1 5,-2.0 -4,-0.9 3,-0.8 0.939 117.3 35.0 -85.3 -53.5 73.9 56.7 -8.8 151 61 B Q H ><5S+ 0 0 105 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.875 112.2 58.2 -69.0 -43.2 72.9 59.4 -11.3 152 62 B L T 3<5S+ 0 0 90 -4,-3.1 -1,-0.2 1,-0.2 -3,-0.1 0.044 108.0 51.0 -79.1 30.3 70.6 57.4 -13.4 153 63 B T T X 5S- 0 0 2 -3,-0.8 3,-1.9 -2,-0.2 -1,-0.2 0.126 117.3 -99.8-152.1 23.2 68.4 56.7 -10.3 154 64 B E T < 5S- 0 0 172 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.762 80.2 -64.2 59.4 24.9 67.8 60.1 -8.7 155 65 B N T > + 0 0 16 -3,-1.9 4,-0.8 -6,-0.3 -2,-0.1 0.428 55.5 71.9 -81.0 2.3 68.6 56.3 -4.9 157 67 B A H 3> S+ 0 0 0 -7,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.748 85.6 66.2 -86.1 -25.2 71.5 53.9 -5.1 158 68 B E H <> S+ 0 0 38 -3,-0.8 4,-1.2 1,-0.2 -1,-0.2 0.769 99.1 50.5 -67.7 -26.0 73.2 55.6 -2.1 159 69 B S H > S+ 0 0 50 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.909 109.0 50.5 -77.3 -43.7 70.5 54.5 0.3 160 70 B V H >X S+ 0 0 1 -4,-0.8 4,-1.7 1,-0.2 3,-1.1 0.970 111.0 49.9 -55.5 -52.5 70.7 50.9 -0.8 161 71 B L H 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 -1,-0.2 0.826 107.5 54.8 -55.3 -34.5 74.5 51.1 -0.3 162 72 B Q H 3X S+ 0 0 75 -4,-1.2 4,-0.7 2,-0.2 -1,-0.3 0.772 102.7 55.8 -71.3 -27.2 74.0 52.5 3.1 163 73 B V H S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 5,-1.1 0.963 109.5 51.8 -56.6 -50.2 74.4 45.6 8.0 168 78 B K H <5S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.929 110.5 50.7 -49.4 -49.3 78.2 45.4 8.0 169 79 B A H <5S+ 0 0 24 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.947 107.7 48.6 -55.5 -58.5 78.1 47.8 11.0 170 80 B E H <5S- 0 0 138 -4,-2.8 -1,-0.2 1,-0.1 -2,-0.2 0.867 136.3 -83.4 -53.4 -34.5 75.6 45.9 13.1 171 81 B G T <5S+ 0 0 54 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.166 77.4 141.2 159.4 -37.8 77.8 42.9 12.3 172 82 B A < - 0 0 26 -5,-1.1 2,-1.6 1,-0.2 -1,-0.2 0.092 57.4-116.4 -35.1 139.7 77.1 41.1 9.0 173 83 B D + 0 0 94 2,-0.0 -34,-1.9 -33,-0.0 2,-0.4 -0.607 57.7 151.9 -87.0 82.4 80.3 39.8 7.2 174 84 B I E - e 0 139A 2 -2,-1.6 2,-0.4 -36,-0.2 -34,-0.2 -0.890 31.1-163.7-117.5 143.4 80.1 41.9 4.1 175 85 B T E - e 0 140A 38 -36,-2.4 -34,-3.3 -2,-0.4 2,-0.6 -0.992 9.7-160.9-125.2 128.0 82.8 43.2 1.8 176 86 B I E -Ce 88 141A 0 -88,-1.1 -88,-3.0 -2,-0.4 2,-0.7 -0.922 6.4-169.7-120.1 114.0 82.0 46.0 -0.6 177 87 B I E -Ce 87 142A 34 -36,-2.7 -34,-2.6 -2,-0.6 2,-1.4 -0.873 5.3-164.2-101.0 108.7 84.2 46.7 -3.6 178 88 B L E C 86 0A 2 -92,-2.7 -92,-1.2 -2,-0.7 -34,-0.2 -0.673 360.0 360.0 -92.9 82.7 83.2 50.0 -5.3 179 89 B S 0 0 31 -2,-1.4 -33,-1.0 -36,-0.4 -95,-0.0 -0.006 360.0 360.0 -96.7 360.0 84.9 49.6 -8.6