==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-MAY-11 3S2X . COMPND 2 MOLECULE: ACETYL-COA SYNTHASE SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: MOORELLA THERMOACETICA; . AUTHOR P.LI . 265 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 1 1 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 S 0 0 49 0, 0.0 50,-0.1 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 37.4 61.7 54.7 18.7 2 2 A C - 0 0 103 48,-0.1 40,-0.1 42,-0.0 48,-0.0 0.899 360.0 -86.2 -86.1 -83.1 63.7 56.3 21.5 3 3 A G S S+ 0 0 55 47,-0.0 36,-0.0 0, 0.0 39,-0.0 0.266 111.4 75.5-179.0 14.7 61.5 58.7 23.4 4 4 A C + 0 0 96 46,-0.1 2,-0.1 48,-0.0 47,-0.0 0.419 61.6 127.4-114.5 -7.4 61.8 62.0 21.6 5 5 A F - 0 0 13 1,-0.1 47,-0.2 47,-0.1 3,-0.0 -0.312 45.9-159.4 -60.5 129.0 59.5 61.1 18.7 6 6 A E S S+ 0 0 68 45,-0.4 17,-3.0 -2,-0.1 18,-0.3 0.690 73.8 29.4 -80.6 -19.3 56.7 63.5 18.0 7 7 A A E -AB 22 51A 0 44,-2.2 44,-3.3 15,-0.3 2,-0.4 -0.932 60.3-149.6-141.5 164.1 54.7 61.0 16.1 8 8 A I E -AB 21 50A 0 13,-2.6 13,-2.7 -2,-0.3 2,-0.4 -0.999 11.8-156.7-135.2 135.4 53.9 57.3 15.7 9 9 A M E -AB 20 49A 14 40,-2.3 40,-1.6 -2,-0.4 2,-0.3 -0.920 10.6-173.5-115.6 138.5 52.9 55.5 12.5 10 10 A A E -AB 19 48A 4 9,-1.9 9,-3.3 -2,-0.4 2,-0.3 -0.950 26.3-113.0-131.0 150.9 51.0 52.2 12.4 11 11 A I E -A 18 0A 56 36,-2.4 7,-0.3 -2,-0.3 9,-0.0 -0.631 19.2-159.1 -82.4 137.2 50.0 49.8 9.6 12 12 A L E >>> -A 17 0A 9 5,-3.2 3,-1.8 -2,-0.3 5,-1.4 -0.788 7.2-174.6-117.4 83.4 46.3 49.6 8.9 13 13 A P T 345S+ 0 0 26 0, 0.0 3,-0.4 0, 0.0 119,-0.2 0.806 81.5 57.7 -47.7 -37.2 45.9 46.2 7.1 14 14 A E T 345S+ 0 0 47 152,-0.3 153,-0.1 1,-0.2 152,-0.1 0.744 114.3 36.5 -69.4 -24.6 42.2 46.8 6.3 15 15 A C T <45S- 0 0 0 -3,-1.8 -1,-0.2 2,-0.2 3,-0.1 0.378 104.9-127.1-104.8 -0.8 42.9 50.1 4.4 16 16 A N T <5S+ 0 0 28 -4,-0.9 2,-0.2 -3,-0.4 113,-0.1 0.782 81.5 80.9 59.5 26.4 46.1 48.7 2.9 17 17 A G E -A 7 0A 2 -2,-0.3 3,-1.7 -15,-0.2 -15,-0.3 -0.814 24.4-109.1-123.9 163.9 51.2 62.7 17.3 23 23 A R T 3 S+ 0 0 103 -17,-3.0 -16,-0.1 -2,-0.3 13,-0.1 0.824 118.8 46.6 -56.9 -35.7 52.3 63.3 20.8 24 24 A D T 3 S+ 0 0 112 -18,-0.3 2,-0.6 11,-0.1 -1,-0.3 0.363 90.9 95.2 -93.0 7.3 49.9 66.2 21.2 25 25 A H < - 0 0 20 -3,-1.7 10,-0.6 1,-0.1 -4,-0.0 -0.880 47.1-179.3 -99.2 121.4 46.9 64.4 19.7 26 26 A A + 0 0 88 -2,-0.6 -1,-0.1 8,-0.1 10,-0.1 0.605 43.7 111.9 -94.4 -13.2 44.7 62.8 22.4 27 27 A G S S- 0 0 27 1,-0.1 8,-0.3 7,-0.1 2,-0.2 0.042 74.6-101.3 -60.5 165.1 42.1 61.2 20.1 28 28 A M - 0 0 32 6,-0.1 6,-0.2 7,-0.1 -1,-0.1 -0.533 41.4-147.8 -79.9 153.1 41.5 57.6 19.5 29 29 A T > - 0 0 1 4,-0.6 3,-2.7 -2,-0.2 4,-0.2 -0.808 29.5 -96.4-122.4 167.1 43.0 56.4 16.2 30 30 A P T 3 S+ 0 0 5 0, 0.0 82,-0.5 0, 0.0 81,-0.1 0.615 119.7 65.8 -55.6 -12.5 42.0 53.7 13.6 31 31 A S T 3 S- 0 0 17 2,-0.3 3,-0.1 80,-0.1 80,-0.1 0.464 117.5-110.2 -89.2 -0.5 44.4 51.3 15.3 32 32 A G S < S+ 0 0 6 -3,-2.7 2,-0.3 78,-0.4 116,-0.3 0.559 87.2 92.3 85.0 8.1 42.3 51.3 18.4 33 33 A M - 0 0 16 -4,-0.2 -4,-0.6 114,-0.1 -2,-0.3 -0.952 66.4-131.3-137.4 155.8 44.9 53.2 20.4 34 34 A T > - 0 0 18 -2,-0.3 4,-2.3 -6,-0.2 5,-0.2 -0.397 42.4 -99.1 -91.6 175.5 45.9 56.7 21.3 35 35 A F H > S+ 0 0 5 -10,-0.6 4,-3.5 -8,-0.3 5,-0.2 0.919 123.9 57.5 -61.2 -41.3 49.4 58.0 21.0 36 36 A S H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.927 108.2 44.9 -55.6 -48.7 50.0 57.4 24.7 37 37 A T H 4 S+ 0 0 29 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.938 114.7 47.1 -63.7 -47.5 49.1 53.7 24.4 38 38 A L H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.943 109.9 55.1 -58.8 -45.0 51.2 53.3 21.3 39 39 A A H >< S+ 0 0 26 -4,-3.5 3,-1.5 1,-0.3 -1,-0.2 0.858 97.1 66.1 -55.7 -36.2 54.1 55.1 23.0 40 40 A G T 3< S+ 0 0 69 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.616 110.1 33.4 -64.4 -13.6 54.0 52.7 25.9 41 41 A M T < 0 0 31 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 -0.024 360.0 360.0-132.3 33.2 55.1 49.8 23.8 42 42 A I < 0 0 33 -3,-1.5 7,-0.1 2,-0.1 -3,-0.0 -0.842 360.0 360.0-111.7 360.0 57.4 51.4 21.3 43 ! 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 44 47 A Q 0 0 94 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 118.0 60.3 49.4 18.0 45 48 A T B > -D 48 0A 36 3,-0.7 3,-1.3 -4,-0.1 2,-0.3 -0.659 360.0 -87.4-101.6 165.8 57.7 46.6 17.5 46 49 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.549 112.0 30.1 -77.0 127.7 56.5 45.1 14.1 47 50 A G T 3 S+ 0 0 31 -2,-0.3 -36,-2.4 -37,-0.0 2,-0.3 0.204 119.7 40.4 111.9 -15.0 53.6 47.1 12.6 48 51 A F E < -BD 10 45A 40 -3,-1.3 -3,-0.7 -38,-0.2 2,-0.3 -0.941 55.5-172.4-166.8 146.6 54.5 50.5 14.0 49 52 A M E -B 9 0A 74 -40,-1.6 -40,-2.3 -2,-0.3 2,-0.4 -0.978 28.5-114.7-142.4 150.5 57.4 52.9 14.8 50 53 A G E +B 8 0A 5 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.3 -0.697 46.6 170.0 -84.4 132.4 58.0 56.2 16.6 51 54 A I E -B 7 0A 11 -44,-3.3 -44,-2.2 -2,-0.4 -45,-0.4 -0.887 38.5-103.5-141.5 169.6 59.2 58.9 14.2 52 55 A G >> - 0 0 36 -2,-0.3 4,-0.7 -47,-0.2 3,-0.6 -0.693 32.9-127.0 -88.5 147.3 59.9 62.6 13.7 53 56 A R H >> S+ 0 0 54 -2,-0.3 3,-0.8 1,-0.2 4,-0.6 0.854 108.4 64.9 -63.4 -31.0 57.2 64.4 11.8 54 57 A T H >4 S+ 0 0 103 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.864 89.7 66.2 -57.9 -38.3 59.8 65.7 9.4 55 58 A Y H X4 S+ 0 0 75 -3,-0.6 3,-2.3 1,-0.3 6,-0.4 0.874 89.2 66.7 -51.3 -41.7 60.5 62.1 8.2 56 59 A I H << S+ 0 0 0 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.821 103.8 44.1 -50.5 -38.0 56.9 62.1 6.7 57 60 A V T << S+ 0 0 22 -3,-1.4 -1,-0.3 -4,-0.6 2,-0.3 0.050 91.3 113.8 -99.7 27.0 57.9 64.7 4.1 58 61 A S S X S- 0 0 40 -3,-2.3 3,-0.8 1,-0.1 -3,-0.0 -0.693 73.6-127.4 -95.7 149.8 61.3 63.1 3.3 59 62 A K T 3 S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.771 113.6 53.2 -65.2 -22.9 62.0 61.6 -0.1 60 63 A K T > S+ 0 0 143 -5,-0.1 3,-2.6 2,-0.1 -1,-0.2 0.667 75.1 134.3 -86.0 -17.9 63.1 58.5 1.8 61 64 A F T < S- 0 0 4 -3,-0.8 7,-0.2 -6,-0.4 -5,-0.1 -0.074 95.5 -34.8 -41.9 107.9 59.8 58.2 3.8 62 65 A I T > >S+ 0 0 32 5,-0.1 5,-2.1 1,-0.1 3,-0.9 0.788 87.8 167.6 42.5 36.6 58.8 54.5 3.6 63 66 A S G X 5 + 0 0 68 -3,-2.6 3,-1.6 1,-0.3 -2,-0.1 0.870 66.0 51.1 -42.8 -57.7 60.2 54.5 0.1 64 67 A A G 3 5S+ 0 0 92 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.822 113.2 45.5 -55.8 -35.4 60.2 50.8 -0.5 65 68 A D G < 5S- 0 0 85 -3,-0.9 -1,-0.3 68,-0.0 -2,-0.2 0.231 131.9 -75.0 -98.8 15.6 56.5 50.4 0.6 66 69 A G T X 5 - 0 0 25 -3,-1.6 3,-0.9 -4,-0.3 -3,-0.2 0.215 57.0-136.8 119.3 -19.6 54.9 53.3 -1.3 67 70 A G G > S+ 0 0 1 1,-0.3 3,-2.5 -7,-0.2 -1,-0.2 0.777 121.4 75.4 -39.2 -40.3 53.3 59.2 1.2 69 72 A A G < S+ 0 0 11 -3,-0.9 57,-0.6 1,-0.3 -1,-0.3 0.727 87.6 62.1 -50.3 -25.8 50.7 57.3 -0.9 70 73 A R G < S+ 0 0 10 -3,-2.7 -52,-2.6 -53,-0.1 2,-0.5 0.673 77.2 104.3 -77.6 -15.8 50.2 54.9 2.0 71 74 A I E < +c 18 0A 0 -3,-2.5 -52,-0.2 -4,-0.3 55,-0.1 -0.540 31.7 157.3 -73.3 119.0 49.0 57.5 4.4 72 75 A V E + 0 0 0 -54,-2.0 32,-3.1 -2,-0.5 2,-0.3 0.587 62.5 34.4-114.4 -16.6 45.2 57.3 4.9 73 76 A W E +ce 19 104A 0 -55,-0.9 -53,-1.4 30,-0.2 -1,-0.3 -0.996 55.8 152.6-145.4 137.1 44.8 58.9 8.3 74 77 A M - 0 0 0 30,-1.8 32,-0.3 -2,-0.3 -53,-0.2 -0.985 49.3 -95.2-152.8 152.6 46.5 61.8 10.2 75 78 A P >> - 0 0 0 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.481 35.7-120.7 -71.1 151.6 45.3 64.2 12.8 76 79 A K H 3> S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 113.7 58.0 -53.9 -42.6 44.1 67.5 11.3 77 80 A S H 3> S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.866 104.5 49.8 -57.2 -38.9 46.8 69.2 13.4 78 81 A L H <> S+ 0 0 3 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.875 108.3 53.5 -70.1 -35.5 49.6 67.2 11.8 79 82 A K H X S+ 0 0 14 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.908 109.6 49.1 -62.9 -41.3 48.2 68.0 8.4 80 83 A D H < S+ 0 0 96 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.909 108.6 52.8 -65.3 -40.3 48.4 71.7 9.3 81 84 A F H < S+ 0 0 114 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.770 123.7 27.0 -65.1 -30.0 51.9 71.4 10.6 82 85 A L H >X S+ 0 0 5 -4,-1.5 4,-3.4 -3,-0.2 3,-0.6 0.522 86.2 118.0-109.7 -12.0 53.2 69.8 7.4 83 86 A H H 3X S+ 0 0 77 -4,-2.0 4,-3.2 1,-0.3 5,-0.3 0.746 80.5 37.4 -22.9 -78.2 50.7 71.2 4.8 84 87 A D H 3> S+ 0 0 108 -4,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.898 121.9 46.7 -48.4 -47.2 53.0 73.1 2.5 85 88 A E H <> S+ 0 0 101 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.932 115.5 46.7 -60.5 -46.3 55.7 70.5 2.9 86 89 A F H X S+ 0 0 2 -4,-3.4 4,-2.3 2,-0.2 -2,-0.2 0.886 109.6 51.0 -65.6 -43.3 53.2 67.7 2.3 87 90 A V H X S+ 0 0 28 -4,-3.2 4,-2.3 -5,-0.3 -1,-0.2 0.929 109.6 53.3 -61.4 -43.2 51.5 69.3 -0.8 88 91 A R H >X S+ 0 0 141 -4,-2.1 4,-2.3 -5,-0.3 3,-0.5 0.972 111.6 43.6 -52.2 -61.2 54.9 69.8 -2.3 89 92 A R H 3X S+ 0 0 20 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.822 109.7 58.2 -55.5 -35.2 55.8 66.1 -1.9 90 93 A S H 3<>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 6,-0.6 0.908 108.7 45.7 -63.1 -41.0 52.4 65.1 -3.1 91 94 A V H X<5S+ 0 0 83 -4,-2.3 3,-1.3 -3,-0.5 -2,-0.2 0.927 110.8 50.6 -68.3 -46.0 53.0 66.9 -6.4 92 95 A E H 3<5S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.760 110.9 51.8 -63.8 -23.9 56.5 65.5 -6.9 93 96 A E T 3<5S- 0 0 85 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.533 115.9-115.7 -89.3 -8.5 55.1 62.0 -6.3 94 97 A G T < 5S+ 0 0 67 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.888 81.0 120.8 75.7 41.1 52.3 62.6 -8.9 95 98 A L S - 0 0 30 -6,-0.6 3,-1.7 -5,-0.2 4,-0.2 0.167 27.3 -89.7 88.6 148.1 48.1 65.8 -7.2 97 100 A E G > S+ 0 0 145 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.756 125.7 59.4 -64.3 -23.0 48.2 68.8 -4.9 98 101 A D G > S+ 0 0 78 1,-0.2 3,-1.8 2,-0.1 4,-0.3 0.377 70.5 104.4 -88.9 5.1 44.8 67.7 -3.5 99 102 A F G X> S+ 0 0 0 -3,-1.7 3,-3.2 1,-0.3 4,-0.8 0.905 71.6 64.9 -51.2 -42.7 46.1 64.4 -2.3 100 103 A I G X4 S+ 0 0 6 -3,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.790 96.5 57.5 -52.5 -29.2 46.1 65.7 1.3 101 104 A D G <4 S+ 0 0 98 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.532 98.0 60.0 -82.0 -4.4 42.4 66.0 1.1 102 105 A K G <4 S+ 0 0 44 -3,-3.2 2,-0.3 -4,-0.3 -1,-0.2 0.642 87.4 91.0 -92.5 -16.8 42.0 62.3 0.3 103 106 A I S << S- 0 0 0 -4,-0.8 -30,-0.2 -3,-0.5 -31,-0.1 -0.602 78.5-129.8 -79.1 132.3 43.7 61.4 3.6 104 107 A A B +e 73 0A 0 -32,-3.1 -30,-1.8 -2,-0.3 2,-0.3 -0.296 28.6 175.6 -78.3 168.3 41.2 61.0 6.4 105 108 A D >> - 0 0 9 -32,-0.2 3,-2.6 -30,-0.0 4,-2.2 -0.882 54.9 -75.9-155.2-179.2 41.5 62.7 9.8 106 109 A E T 34 S+ 0 0 74 -32,-0.3 4,-0.1 1,-0.3 -78,-0.0 0.561 123.6 74.6 -66.2 -4.6 39.3 62.9 13.1 107 110 A T T 34 S+ 0 0 100 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.687 111.0 26.4 -76.8 -18.0 37.2 65.3 11.0 108 111 A I T <4 S- 0 0 57 -3,-2.6 2,-0.3 1,-0.3 -2,-0.2 0.713 132.7 -51.7-111.6 -36.4 35.9 62.2 9.2 109 112 A G < - 0 0 5 -4,-2.2 -1,-0.3 1,-0.1 -2,-0.2 -0.895 24.4-128.6 167.9 165.1 36.4 59.5 11.9 110 113 A T S S+ 0 0 32 -2,-0.3 -78,-0.4 -4,-0.1 2,-0.3 0.262 86.1 63.7-114.9 7.1 38.7 57.7 14.4 111 114 A T S >> S- 0 0 9 1,-0.1 4,-2.2 -81,-0.1 3,-0.6 -0.945 81.7-118.4-136.1 155.1 38.0 54.1 13.2 112 115 A V H 3> S+ 0 0 3 -82,-0.5 4,-2.8 -2,-0.3 -1,-0.1 0.902 112.3 59.6 -55.5 -43.2 38.6 51.9 10.2 113 116 A D H 34 S+ 0 0 49 1,-0.2 -1,-0.2 2,-0.2 132,-0.0 0.830 111.4 37.3 -56.1 -40.6 34.8 51.5 9.8 114 117 A E H <> S+ 0 0 91 -3,-0.6 4,-0.7 2,-0.1 -1,-0.2 0.823 118.7 51.8 -82.1 -32.4 34.0 55.2 9.5 115 118 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 3,-0.4 0.899 94.6 63.3 -74.0 -46.3 37.2 55.9 7.4 116 119 A L H X S+ 0 0 29 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.927 100.1 55.1 -46.9 -54.8 37.0 53.3 4.5 117 120 A P H > S+ 0 0 61 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.908 110.9 46.7 -44.6 -48.6 33.8 54.7 3.1 118 121 A Y H X S+ 0 0 43 -4,-0.7 4,-2.8 -3,-0.4 -2,-0.2 0.917 109.8 51.5 -62.0 -46.2 35.6 58.1 2.9 119 122 A L H <>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 -1,-0.2 0.865 112.3 47.9 -61.0 -35.7 38.7 56.7 1.3 120 123 A E H ><5S+ 0 0 125 -4,-2.6 3,-1.4 -5,-0.2 -2,-0.2 0.941 110.7 50.0 -69.8 -48.3 36.6 55.0 -1.3 121 124 A E H 3<5S+ 0 0 153 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.955 114.7 44.3 -53.0 -54.4 34.5 58.1 -2.0 122 125 A K T 3<5S- 0 0 100 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.435 109.9-123.5 -72.6 0.1 37.7 60.2 -2.4 123 126 A G T < 5 - 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0 0 33 -2,-0.3 3,-0.9 -47,-0.2 4,-0.7 -0.796 33.2-129.2 -95.2 139.3 41.4 26.5 18.2 187 56 B R G >4 S+ 0 0 64 -2,-0.4 3,-1.2 1,-0.3 4,-0.4 0.887 108.2 62.3 -56.6 -37.6 38.2 27.7 20.0 188 57 B T G >4 S+ 0 0 96 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.865 89.4 68.1 -55.1 -39.6 38.7 24.9 22.6 189 58 B Y G X4 S+ 0 0 82 -3,-0.9 3,-2.1 1,-0.3 -1,-0.3 0.880 88.2 68.4 -47.5 -41.7 42.0 26.5 23.6 190 59 B I G << S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.778 104.8 39.6 -50.2 -34.8 39.9 29.4 25.0 191 60 B V G < S+ 0 0 25 -3,-2.0 -1,-0.3 -4,-0.4 2,-0.2 0.274 90.3 110.3-103.9 13.2 38.5 27.2 27.8 192 61 B S S X S- 0 0 43 -3,-2.1 3,-2.1 -4,-0.3 -3,-0.0 -0.600 77.8-117.4 -87.3 149.5 41.6 25.1 28.7 193 62 B K T 3 S+ 0 0 150 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.726 113.3 51.2 -58.1 -21.2 43.3 25.7 32.0 194 63 B K T > S+ 0 0 152 -5,-0.1 3,-1.2 2,-0.1 2,-0.6 0.242 72.6 143.0-103.0 16.5 46.5 26.9 30.3 195 64 B F T < S- 0 0 1 -3,-2.1 7,-0.2 1,-0.3 4,-0.1 -0.416 93.5 -37.5 -59.9 106.7 44.8 29.4 28.1 196 65 B I T > >S+ 0 0 35 -2,-0.6 3,-2.5 1,-0.1 5,-1.9 0.803 88.0 165.9 42.1 37.1 47.3 32.3 28.0 197 66 B S G X 5 + 0 0 62 -3,-1.2 3,-0.8 1,-0.3 -1,-0.1 0.779 65.6 60.3 -50.6 -35.2 47.9 31.5 31.7 198 67 B A G 3 5S+ 0 0 90 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.544 111.4 40.3 -74.4 -5.6 51.1 33.6 31.8 199 68 B D G < 5S- 0 0 57 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.291 132.6 -73.4-127.4 10.9 49.2 36.7 30.9 200 69 B G T X 5 - 0 0 23 -3,-0.8 3,-1.0 -4,-0.3 -3,-0.2 0.136 58.5-142.5 121.2 -21.9 45.9 36.5 32.8 201 70 B G G > S+ 0 0 1 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.749 120.8 73.1 -38.9 -40.3 40.2 34.1 30.6 203 72 B A G < S+ 0 0 9 -3,-1.0 57,-0.6 1,-0.3 -1,-0.3 0.680 89.4 62.4 -54.0 -20.3 40.1 37.5 32.4 204 73 B R G < S+ 0 0 11 -3,-2.7 -52,-2.6 -53,-0.1 2,-0.5 0.696 74.8 105.0 -82.3 -19.1 41.8 39.2 29.4 205 74 B I E < +h 152 0B 0 -3,-1.8 -52,-0.2 -4,-0.3 55,-0.1 -0.496 32.1 159.2 -69.3 116.4 39.0 38.5 26.9 206 75 B V E + 0 0 0 -54,-2.6 32,-1.7 -2,-0.5 2,-0.3 0.381 62.2 30.8-117.3 0.9 37.0 41.7 26.3 207 76 B W E +hi 153 238B 0 -55,-0.6 -53,-2.1 30,-0.2 -1,-0.3 -0.918 55.4 153.5-162.4 134.1 35.3 41.0 23.0 208 77 B M - 0 0 0 30,-1.6 32,-0.3 -2,-0.3 -53,-0.2 -0.969 49.3 -93.8-154.4 150.9 34.1 37.9 21.1 209 78 B P > - 0 0 0 0, 0.0 4,-1.7 0, 0.0 3,-0.4 -0.360 37.8-115.8 -67.1 153.4 31.4 37.4 18.5 210 79 B K H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.907 116.3 59.1 -55.2 -40.5 28.0 36.5 19.9 211 80 B S H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.894 104.0 49.2 -54.9 -45.4 28.3 33.1 18.1 212 81 B L H > S+ 0 0 1 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.852 106.3 56.0 -66.8 -35.5 31.5 32.2 19.9 213 82 B K H >X S+ 0 0 11 -4,-1.7 4,-2.7 1,-0.2 3,-1.1 0.992 108.5 47.6 -59.3 -56.6 30.1 33.0 23.4 214 83 B D H 3< S+ 0 0 104 -4,-2.0 4,-0.4 1,-0.3 -1,-0.2 0.853 109.6 54.4 -50.3 -40.5 27.2 30.6 22.8 215 84 B F H 3< S+ 0 0 102 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.833 121.5 28.7 -65.6 -32.7 29.7 28.0 21.6 216 85 B L H X S+ 0 0 83 -4,-2.7 4,-2.9 1,-0.2 3,-0.6 0.782 78.0 42.4 -27.8 -72.3 29.1 29.3 27.3 218 87 B D H 3> S+ 0 0 117 -4,-0.4 4,-2.0 1,-0.3 -1,-0.2 0.938 122.9 35.4 -46.7 -65.9 28.9 26.2 29.5 219 88 B E H 3> S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.600 116.5 58.4 -70.3 -8.5 32.5 25.4 29.9 220 89 B F H S+ 0 0 0 -4,-1.6 5,-2.4 -3,-0.3 6,-0.8 0.912 109.0 43.6 -68.2 -43.9 35.0 31.7 35.1 225 94 B V H <5S+ 0 0 80 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.823 111.6 53.8 -71.1 -32.2 34.1 30.3 38.5 226 95 B E H <5S+ 0 0 92 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.845 111.1 47.4 -68.4 -33.8 37.4 28.3 38.7 227 96 B E H <5S- 0 0 83 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.527 115.5-114.9 -84.4 -9.9 39.2 31.6 38.1 228 97 B G T <5S+ 0 0 64 -4,-0.5 -3,-0.2 -3,-0.4 -2,-0.1 0.953 82.9 119.1 72.9 49.7 37.2 33.5 40.7 229 98 B L S - 0 0 19 -6,-0.8 3,-1.6 1,-0.1 4,-0.2 0.162 25.5 -83.6 88.7 151.7 32.1 34.8 38.9 231 100 B E T 3 S+ 0 0 129 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.678 124.8 58.6 -62.7 -19.1 29.5 33.1 36.8 232 101 B D T > S+ 0 0 71 1,-0.2 3,-2.1 -3,-0.1 4,-0.4 0.392 70.9 104.5 -94.0 1.7 28.4 36.4 35.3 233 102 B F G X> S+ 0 0 0 -3,-1.6 3,-1.8 1,-0.3 4,-0.7 0.836 72.1 62.3 -52.6 -36.6 31.8 37.2 33.8 234 103 B I G 34 S+ 0 0 8 -3,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.733 95.9 62.4 -63.8 -19.2 30.7 36.3 30.3 235 104 B D G <4 S+ 0 0 95 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.589 98.5 55.1 -80.5 -13.5 28.2 39.2 30.6 236 105 B K T <4 S+ 0 0 43 -3,-1.8 2,-0.2 -4,-0.4 -1,-0.2 0.622 87.8 94.2 -91.6 -18.3 31.0 41.8 30.9 237 106 B I S < S- 0 0 0 -4,-0.7 -30,-0.2 -3,-0.2 -31,-0.1 -0.544 74.7-133.8 -74.9 137.8 32.6 40.6 27.7 238 107 B A B -i 207 0B 0 -32,-1.7 -30,-1.6 -2,-0.2 2,-0.3 -0.340 24.5-179.2 -87.6 174.7 31.5 42.7 24.7 239 108 B D >> - 0 0 6 -32,-0.2 3,-2.0 -2,-0.1 4,-1.9 -0.913 51.6 -72.9-157.6-179.5 30.4 41.6 21.3 240 109 B E T 34 S+ 0 0 59 1,-0.3 -78,-0.1 -32,-0.3 5,-0.1 0.772 125.1 67.8 -55.7 -24.9 29.3 42.9 17.9 241 110 B T T 34 S+ 0 0 104 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.836 108.1 36.0 -62.2 -33.8 26.0 43.7 19.7 242 111 B I T <4 S- 0 0 53 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.808 131.2 -61.6 -89.0 -35.5 27.8 46.4 21.8 243 112 B G < - 0 0 4 -4,-1.9 -1,-0.3 1,-0.1 3,-0.0 -0.960 24.8-124.0 168.3 177.9 30.2 47.6 19.1 244 113 B T S S+ 0 0 34 -2,-0.3 -78,-0.4 -81,-0.1 2,-0.3 0.234 86.7 61.9-130.6 8.9 33.1 46.7 16.7 245 114 B T S >> S- 0 0 8 -80,-0.1 4,-2.2 -81,-0.1 3,-0.6 -0.924 83.0-116.7-136.5 159.2 35.6 49.4 17.8 246 115 B V H 3> S+ 0 0 1 -82,-0.5 4,-2.2 -2,-0.3 -1,-0.1 0.776 112.5 63.5 -66.3 -24.6 37.5 50.3 21.0 247 116 B D H 34 S+ 0 0 57 2,-0.2 -1,-0.2 1,-0.2 -136,-0.0 0.845 112.1 33.0 -68.3 -34.8 35.6 53.6 21.0 248 117 B E H <> S+ 0 0 94 -3,-0.6 4,-0.9 2,-0.1 -2,-0.2 0.809 122.0 49.3 -88.8 -35.0 32.2 51.9 21.5 249 118 B I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.820 96.3 66.0 -76.8 -35.5 33.5 49.0 23.6 250 119 B L H X S+ 0 0 31 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.936 101.3 49.3 -56.2 -49.9 35.6 50.8 26.2 251 120 B P H > S+ 0 0 54 0, 0.0 4,-3.2 0, 0.0 3,-0.3 0.968 111.6 49.3 -50.9 -57.7 32.7 52.6 27.9 252 121 B Y H X S+ 0 0 43 -4,-0.9 4,-2.6 1,-0.3 -2,-0.2 0.872 110.6 50.4 -47.9 -46.8 30.7 49.3 28.1 253 122 B L H X>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-0.8 0.902 111.9 48.3 -62.2 -40.8 33.7 47.6 29.6 254 123 B E H ><5S+ 0 0 122 -4,-2.5 3,-1.3 -3,-0.3 -2,-0.2 0.975 112.9 46.7 -62.7 -54.8 34.1 50.4 32.2 255 124 B E H 3<5S+ 0 0 161 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.850 113.9 48.3 -56.5 -38.2 30.4 50.3 33.1 256 125 B K H 3<5S- 0 0 94 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.606 108.4-126.7 -79.3 -11.4 30.4 46.5 33.3 257 126 B G T <<5 - 0 0 42 -3,-1.3 -3,-0.2 -4,-0.8 -2,-0.1 0.898 31.1-163.8 67.6 40.1 33.5 46.6 35.5 258 127 B H > < - 0 0 5 -5,-2.2 3,-0.7 -22,-0.2 4,-0.2 -0.333 19.1-132.7 -56.6 136.4 35.5 44.1 33.3 259 128 B P G >> S+ 0 0 27 0, 0.0 3,-2.0 0, 0.0 4,-0.7 0.837 97.0 71.0 -60.0 -39.6 38.5 42.8 35.3 260 129 B A G >4 S+ 0 0 0 -57,-0.6 3,-0.9 1,-0.3 6,-0.1 0.815 83.0 69.6 -48.9 -40.9 41.0 43.4 32.5 261 130 B L G <4 S+ 0 0 52 -3,-0.7 -1,-0.3 1,-0.3 -111,-0.1 0.703 111.7 30.7 -55.3 -22.6 40.8 47.2 32.8 262 131 B T G <4 S+ 0 0 127 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.423 95.3 105.8-117.4 -1.5 42.7 47.0 36.1 263 132 B M S << S- 0 0 55 -3,-0.9 3,-0.1 -4,-0.7 -63,-0.0 -0.099 88.3 -67.6 -66.8 176.8 44.9 43.9 35.6 264 133 B D S S- 0 0 123 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 -0.295 71.1 -76.2 -65.7 152.0 48.6 44.4 35.0 265 134 B P - 0 0 89 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.256 39.6-139.1 -48.7 131.8 49.6 46.0 31.7 266 135 B I S S+ 0 0 17 1,-0.2 2,-1.2 -119,-0.2 -2,-0.1 0.662 93.3 77.2 -71.2 -14.3 49.2 43.3 29.1 267 136 B M 0 0 88 -120,-0.1 -1,-0.2 -227,-0.0 -117,-0.0 -0.537 360.0 360.0 -95.6 68.0 52.4 44.5 27.5 268 137 B A 0 0 130 -2,-1.2 -2,-0.1 -4,-0.1 -4,-0.0 -0.811 360.0 360.0 157.6 360.0 54.7 42.8 30.1