==== 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 TRANSCRIPTION 29-SEP-06 2IJL . COMPND 2 MOLECULE: MOLYBDENUM-BINDING TRANSCRIPTIONAL REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR M.E.CUFF,E.EVDOKIMOVA,M.KUDRITSKA,A.EDWARDS,A.SAVCHENKO,A.JO . 219 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 12.8 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 . 2 0.9 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 49.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 1 1 0 2 0 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 4 A K 0 0 236 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.0 30.9 68.2 -4.1 2 5 A R - 0 0 83 1,-0.1 0, 0.0 123,-0.0 0, 0.0 -0.857 360.0 -85.0-120.6 174.5 29.6 67.3 -0.7 3 6 A L - 0 0 116 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.228 51.3 -96.7 -69.9 157.7 30.3 64.3 1.4 4 7 A P - 0 0 92 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.312 44.2 -90.7 -68.1 162.1 28.4 61.1 0.9 5 8 A L - 0 0 10 119,-0.1 119,-0.2 96,-0.1 96,-0.0 -0.399 50.5-164.6 -63.4 151.3 25.4 60.1 3.0 6 9 A K E -A 123 0A 101 117,-1.4 117,-3.6 -2,-0.1 2,-0.2 -0.952 17.2-139.3-151.4 118.9 26.6 58.1 5.9 7 10 A P E -A 122 0A 12 0, 0.0 2,-0.4 0, 0.0 115,-0.2 -0.580 20.3-162.1 -74.2 146.6 24.8 55.8 8.4 8 11 A V E -A 121 0A 28 113,-2.5 113,-1.6 -2,-0.2 2,-0.3 -0.992 5.9-146.0-130.5 140.5 26.0 56.1 12.1 9 12 A L E +A 120 0A 5 -2,-0.4 2,-0.3 111,-0.2 12,-0.3 -0.813 19.3 171.2-110.1 143.3 25.3 53.6 14.8 10 13 A R E -A 119 0A 60 109,-1.7 109,-3.0 -2,-0.3 2,-0.5 -0.970 21.1-143.6-138.5 150.9 24.7 53.8 18.5 11 14 A I E -AB 118 19A 0 8,-2.4 8,-2.3 -2,-0.3 2,-0.4 -0.968 13.2-136.2-117.2 128.0 23.6 51.0 20.8 12 15 A D E -AB 117 18A 34 105,-2.9 105,-1.3 -2,-0.5 6,-0.3 -0.652 11.0-165.6 -79.1 129.6 21.2 51.7 23.7 13 16 A F E > - B 0 17A 7 4,-3.4 4,-2.6 -2,-0.4 103,-0.1 -0.777 42.4-112.0-109.7 82.1 22.2 50.1 27.0 14 17 A P T 4 S+ 0 0 26 0, 0.0 2,-0.2 0, 0.0 100,-0.1 -0.227 81.2 15.6 -62.8 146.3 18.8 50.5 28.8 15 18 A P T 4 S- 0 0 105 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.856 137.0 -1.6 -86.1 -37.2 17.8 52.0 31.1 16 19 A G T 4 S+ 0 0 67 -2,-0.2 2,-0.2 -4,-0.1 -4,-0.0 0.572 105.7 80.0 -93.3 -9.9 20.6 54.6 31.5 17 20 A E E < -B 13 0A 66 -4,-2.6 -4,-3.4 43,-0.0 2,-0.3 -0.618 40.1-174.1-123.0 159.6 23.3 54.0 29.0 18 21 A R E -B 12 0A 114 -6,-0.3 2,-0.4 -2,-0.2 -6,-0.2 -0.988 11.3-158.5-141.0 149.0 24.6 54.4 25.4 19 22 A L E +B 11 0A 1 -8,-2.3 -8,-2.4 -2,-0.3 2,-0.2 -0.934 47.7 109.3-126.9 108.1 27.5 53.2 23.4 20 23 A G S >> S- 0 0 2 -2,-0.4 4,-2.5 -10,-0.2 3,-0.6 -0.688 77.0 -32.3-154.9-155.3 28.1 55.4 20.4 21 24 A H H 3> S+ 0 0 124 -12,-0.3 4,-2.3 1,-0.3 5,-0.2 0.824 125.3 52.0 -51.9 -41.9 30.3 58.0 18.7 22 25 A G H 3> S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.921 114.7 39.1 -65.7 -44.0 31.4 59.7 21.9 23 26 A K H <> S+ 0 0 22 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.870 116.4 51.3 -75.1 -33.1 32.5 56.6 23.8 24 27 A V H X S+ 0 0 5 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.894 110.1 49.1 -65.6 -43.8 34.1 54.9 20.7 25 28 A E H X S+ 0 0 64 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.955 109.9 51.6 -62.2 -49.2 36.1 58.1 19.9 26 29 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.923 111.9 47.3 -48.8 -49.1 37.3 58.3 23.5 27 30 A X H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 112.9 47.9 -59.3 -47.6 38.4 54.6 23.3 28 31 A Q H X S+ 0 0 74 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.895 113.4 48.8 -60.0 -40.7 40.2 55.2 19.9 29 32 A L H X S+ 0 0 36 -4,-2.9 4,-2.3 2,-0.2 6,-0.4 0.840 109.3 51.6 -74.9 -32.0 41.8 58.3 21.3 30 33 A I H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.929 108.9 51.5 -67.7 -41.5 43.0 56.5 24.5 31 34 A A H < S+ 0 0 57 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.853 117.0 41.8 -59.7 -32.9 44.5 53.8 22.2 32 35 A E H < S+ 0 0 152 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.831 130.3 19.4 -88.7 -33.9 46.3 56.5 20.3 33 36 A T H < S- 0 0 74 -4,-2.3 -3,-0.2 2,-0.2 -2,-0.2 0.594 86.4-134.1-111.5 -19.7 47.5 58.9 23.0 34 37 A G S < S+ 0 0 20 -4,-2.5 39,-2.4 -5,-0.4 2,-0.4 0.700 71.6 105.3 69.3 24.4 47.5 56.7 26.1 35 38 A S > - 0 0 21 -6,-0.4 4,-1.6 37,-0.2 -1,-0.2 -0.994 56.8-161.8-144.9 130.3 45.8 59.5 28.0 36 39 A I H > S+ 0 0 21 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.880 100.6 51.9 -74.2 -41.7 42.3 60.3 29.3 37 40 A S H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 110.4 48.9 -63.7 -38.0 43.0 64.0 29.7 38 41 A A H > S+ 0 0 20 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.912 111.4 48.7 -63.1 -49.8 44.3 64.2 26.1 39 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.936 112.3 49.1 -55.3 -49.1 41.2 62.4 24.7 40 43 A G H <>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 -2,-0.2 0.946 111.5 49.6 -57.9 -50.6 39.0 64.8 26.8 41 44 A R H ><5S+ 0 0 172 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.927 109.3 51.8 -49.6 -52.6 40.9 67.8 25.4 42 45 A A H 3<5S+ 0 0 68 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.895 112.7 45.8 -51.6 -43.1 40.6 66.4 21.8 43 46 A X T 3<5S- 0 0 26 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.224 115.2-116.0 -88.4 11.6 36.8 66.1 22.3 44 47 A D T < 5S+ 0 0 149 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.881 73.0 117.9 55.6 47.6 36.4 69.5 23.9 45 48 A X < - 0 0 38 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.943 67.2 -94.8-137.4 161.9 35.3 68.4 27.3 46 49 A S > - 0 0 56 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.235 37.1-111.1 -66.3 161.6 36.5 68.7 30.9 47 50 A Y H > S+ 0 0 119 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.925 120.3 58.2 -59.4 -42.8 38.5 65.8 32.4 48 51 A R H > S+ 0 0 162 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.936 107.6 44.6 -48.1 -54.2 35.5 65.2 34.7 49 52 A R H > S+ 0 0 128 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.904 116.7 45.5 -65.1 -42.7 33.2 64.7 31.6 50 53 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 3,-0.4 0.922 112.7 50.3 -59.8 -46.1 35.7 62.4 29.9 51 54 A W H X S+ 0 0 110 -4,-3.6 4,-3.3 1,-0.2 -2,-0.2 0.909 105.5 56.7 -65.2 -40.2 36.5 60.5 33.1 52 55 A L H X S+ 0 0 79 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.838 105.8 51.5 -58.2 -33.1 32.7 59.9 33.6 53 56 A L H X S+ 0 0 33 -4,-1.2 4,-2.4 -3,-0.4 -2,-0.2 0.917 110.8 48.2 -67.5 -43.8 32.6 58.3 30.1 54 57 A V H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 11,-0.2 0.938 111.3 50.2 -56.0 -49.1 35.5 56.1 31.1 55 58 A D H < S+ 0 0 59 -4,-3.3 4,-0.3 2,-0.2 -2,-0.2 0.910 109.0 51.4 -59.9 -43.2 33.7 55.2 34.3 56 59 A A H >X S+ 0 0 14 -4,-2.2 3,-1.5 1,-0.2 4,-1.4 0.940 110.0 50.0 -55.2 -49.3 30.5 54.4 32.4 57 60 A L H 3X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.3 -2,-0.2 0.835 107.1 55.4 -58.5 -35.9 32.6 52.0 30.1 58 61 A N H 3< S+ 0 0 45 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.440 114.7 38.3 -82.4 1.6 34.1 50.3 33.1 59 62 A H H <4 S+ 0 0 109 -3,-1.5 -2,-0.2 -4,-0.3 -1,-0.2 0.485 99.8 73.4-123.9 -8.9 30.7 49.5 34.6 60 63 A X H < S+ 0 0 16 -4,-1.4 160,-2.5 -5,-0.1 2,-0.2 0.747 100.2 40.8 -73.9 -22.2 28.8 48.6 31.4 61 64 A F B < S-D 219 0B 4 -4,-0.6 158,-0.2 158,-0.3 4,-0.1 -0.679 87.6-107.3-125.8 172.2 30.5 45.2 30.9 62 65 A R S S+ 0 0 151 156,-2.1 157,-0.1 -2,-0.2 -1,-0.1 0.758 107.1 41.4 -70.4 -31.4 31.7 42.3 33.0 63 66 A Q S S- 0 0 110 155,-0.3 -2,-0.2 1,-0.0 157,-0.1 -0.877 98.5 -97.3-114.7 151.8 35.3 43.3 32.4 64 67 A P - 0 0 72 0, 0.0 15,-0.3 0, 0.0 14,-0.2 -0.310 23.0-158.0 -57.4 149.0 36.9 46.9 32.5 65 68 A V S S+ 0 0 0 -11,-0.2 11,-2.3 1,-0.2 2,-0.3 0.741 76.6 30.6-100.9 -34.5 37.4 48.6 29.2 66 69 A I E -E 75 0C 6 9,-0.3 2,-0.3 -12,-0.2 -1,-0.2 -0.913 68.4-179.3-127.8 147.1 40.1 51.1 30.2 67 70 A C E -E 74 0C 56 7,-2.6 7,-2.1 -2,-0.3 2,-0.1 -0.976 27.3-104.7-144.4 160.7 42.8 50.8 32.8 68 71 A S E +E 73 0C 104 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.341 36.9 171.3 -74.6 164.3 45.6 52.8 34.3 69 72 A Q 0 0 115 3,-1.0 5,-0.0 1,-0.3 0, 0.0 -0.916 360.0 360.0-154.2-177.8 49.3 52.1 33.6 70 73 A R 0 0 283 -2,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.719 360.0 360.0 -80.1 360.0 52.7 53.8 34.3 71 ! 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 72 80 A G 0 0 61 0, 0.0 -3,-1.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 53.1 48.6 56.8 32.1 73 81 A A E +E 68 0C 3 -39,-2.4 2,-0.3 -5,-0.3 -5,-0.2 -0.973 360.0 171.0-139.6 154.5 45.7 55.0 30.5 74 82 A A E -E 67 0C 21 -7,-2.1 -7,-2.6 -2,-0.3 2,-0.3 -0.983 36.4-100.8-152.4 160.4 45.1 52.0 28.1 75 83 A L E -E 66 0C 34 -2,-0.3 -9,-0.3 -9,-0.2 -10,-0.1 -0.692 39.6-130.6 -75.7 138.2 42.5 49.7 26.6 76 84 A T > - 0 0 30 -11,-2.3 4,-2.6 -2,-0.3 5,-0.2 -0.334 33.7 -95.8 -74.5 170.4 42.2 46.4 28.3 77 85 A V H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.964 133.1 46.9 -48.4 -51.3 42.2 43.2 26.2 78 86 A F H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.887 108.3 55.1 -57.9 -40.8 38.4 43.4 26.4 79 87 A G H > S+ 0 0 0 -15,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.917 108.1 48.0 -61.2 -43.3 38.5 47.1 25.6 80 88 A A H X S+ 0 0 51 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.867 111.9 50.9 -62.1 -39.9 40.4 46.4 22.4 81 89 A E H X S+ 0 0 102 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.922 109.1 50.7 -62.9 -46.7 37.9 43.7 21.6 82 90 A L H X S+ 0 0 2 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.921 110.6 49.3 -55.6 -50.0 35.0 46.0 22.2 83 91 A L H X S+ 0 0 14 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.926 112.5 46.9 -56.7 -46.9 36.5 48.6 19.8 84 92 A E H X S+ 0 0 122 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.934 111.5 51.5 -63.4 -43.5 37.1 46.1 17.0 85 93 A R H X S+ 0 0 70 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.895 108.5 50.7 -62.0 -39.3 33.6 44.7 17.4 86 94 A Y H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.926 110.1 50.9 -64.9 -38.3 32.1 48.2 17.1 87 95 A R H X S+ 0 0 69 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.926 110.9 48.9 -62.4 -42.9 34.2 48.7 13.9 88 96 A G H X S+ 0 0 5 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.906 109.0 52.2 -61.3 -46.7 32.9 45.4 12.6 89 97 A X H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.929 107.6 52.3 -52.5 -48.2 29.3 46.4 13.4 90 98 A E H X S+ 0 0 44 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.903 111.4 46.9 -54.5 -45.3 29.8 49.6 11.5 91 99 A E H X S+ 0 0 118 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.922 112.7 49.1 -63.1 -46.8 31.1 47.7 8.5 92 100 A R H X S+ 0 0 93 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.879 111.1 50.1 -61.2 -39.3 28.2 45.2 8.7 93 101 A X H X S+ 0 0 2 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.912 109.7 50.5 -63.3 -46.3 25.7 48.0 8.9 94 102 A N H < S+ 0 0 75 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.928 111.4 48.7 -57.9 -47.9 27.1 49.8 5.9 95 103 A E H >< S+ 0 0 145 -4,-2.5 3,-1.1 1,-0.2 4,-0.3 0.932 113.5 46.8 -56.6 -49.9 27.0 46.6 3.8 96 104 A A H 3< S+ 0 0 36 -4,-2.3 3,-0.3 1,-0.2 4,-0.2 0.833 116.1 43.5 -63.7 -34.2 23.4 45.9 4.8 97 105 A L T 3X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.352 80.4 108.0 -93.9 5.7 22.2 49.5 4.2 98 106 A R H <> S+ 0 0 188 -3,-1.1 4,-2.0 -4,-0.5 -1,-0.2 0.885 82.0 43.8 -56.9 -47.8 24.0 50.0 0.9 99 107 A E H > S+ 0 0 120 -4,-0.3 4,-1.8 -3,-0.3 -1,-0.3 0.866 112.9 52.9 -64.6 -38.2 20.9 49.9 -1.3 100 108 A D H > S+ 0 0 1 -4,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.905 108.1 50.8 -65.9 -42.1 18.9 52.1 1.1 101 109 A I H X S+ 0 0 23 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.892 106.4 55.0 -58.0 -47.7 21.6 54.7 1.0 102 110 A D H X S+ 0 0 96 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.892 108.6 48.8 -53.0 -41.9 21.5 54.6 -2.8 103 111 A W H X S+ 0 0 44 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.901 112.8 46.2 -67.8 -40.9 17.8 55.4 -2.7 104 112 A L H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.907 112.4 52.6 -63.7 -38.4 18.3 58.2 -0.2 105 113 A E H < S+ 0 0 67 -4,-3.0 3,-0.3 1,-0.3 -2,-0.2 0.907 107.8 49.0 -68.7 -40.4 21.2 59.5 -2.4 106 114 A A H < S+ 0 0 66 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.825 117.0 44.4 -66.2 -29.7 19.0 59.5 -5.6 107 115 A N H < S+ 0 0 31 -4,-1.4 66,-2.5 -5,-0.2 67,-0.3 0.584 87.3 113.6 -92.7 -13.3 16.4 61.4 -3.6 108 116 A R B < S-F 172 0D 14 -4,-1.5 64,-0.3 -3,-0.3 63,-0.1 -0.345 77.5-106.8 -61.5 132.1 18.7 63.8 -1.9 109 117 A N - 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0 0 27 -11,-1.9 4,-2.7 -2,-0.3 5,-0.3 -0.361 34.6 -96.9 -73.8 171.8 3.3 63.3 1.2 188 85 B V H > S+ 0 0 121 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.957 131.0 48.0 -59.7 -41.8 3.5 60.0 -0.7 189 86 B F H > S+ 0 0 13 -14,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 110.4 52.7 -56.5 -46.0 7.2 60.4 -0.8 190 87 B G H > S+ 0 0 0 -15,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.900 107.1 50.3 -57.5 -45.1 7.3 61.2 3.0 191 88 B A H X S+ 0 0 44 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.817 113.0 48.6 -65.3 -28.8 5.3 58.1 3.9 192 89 B E H X S+ 0 0 99 -4,-1.5 4,-2.5 -5,-0.3 -2,-0.2 0.871 106.9 54.2 -79.3 -37.1 7.8 56.1 1.8 193 90 B L H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.949 110.9 46.6 -54.9 -50.6 10.8 57.8 3.4 194 91 B L H X S+ 0 0 7 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.899 113.6 47.9 -61.6 -44.3 9.4 56.8 6.9 195 92 B E H X S+ 0 0 124 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.867 111.0 52.9 -65.2 -34.1 8.7 53.2 5.7 196 93 B R H X S+ 0 0 52 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.857 107.3 50.0 -67.3 -41.4 12.2 53.1 4.2 197 94 B Y H X S+ 0 0 7 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.883 109.0 52.0 -65.5 -38.4 13.8 54.1 7.5 198 95 B R H X S+ 0 0 67 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.881 110.2 50.2 -62.9 -39.0 11.8 51.4 9.3 199 96 B G H X S+ 0 0 11 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.890 108.6 51.7 -63.1 -41.4 13.1 48.9 6.7 200 97 B X H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.877 107.2 53.0 -61.1 -39.7 16.7 50.2 7.3 201 98 B E H X S+ 0 0 46 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.880 111.5 45.9 -62.1 -42.9 16.3 49.7 11.0 202 99 B E H X S+ 0 0 117 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.925 112.7 49.6 -65.0 -49.5 15.2 46.0 10.4 203 100 B R H X S+ 0 0 91 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.891 113.4 47.1 -57.6 -42.0 18.0 45.4 8.0 204 101 B X H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.911 109.4 53.2 -64.4 -44.6 20.4 46.8 10.5 205 102 B N H < S+ 0 0 79 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.896 112.2 45.9 -56.9 -41.7 19.0 44.8 13.3 206 103 B E H >< S+ 0 0 113 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.873 112.4 48.5 -71.1 -41.3 19.4 41.6 11.3 207 104 B A H 3< S+ 0 0 35 -4,-2.1 3,-0.3 1,-0.2 4,-0.2 0.825 117.2 43.7 -66.1 -31.8 23.0 42.3 10.2 208 105 B L T 3X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.379 82.0 105.6 -96.1 6.1 24.0 43.2 13.7 209 106 B R H <> S+ 0 0 159 -3,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.872 80.4 45.3 -59.6 -48.2 22.2 40.3 15.4 210 107 B E H > S+ 0 0 169 -4,-0.3 4,-1.7 -3,-0.3 -1,-0.2 0.882 116.0 50.6 -59.4 -37.9 25.4 38.2 16.3 211 108 B D H > S+ 0 0 4 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.862 107.1 50.8 -68.6 -42.1 27.1 41.4 17.5 212 109 B I H X S+ 0 0 22 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.862 109.2 53.9 -62.4 -39.6 24.3 42.4 19.7 213 110 B D H X S+ 0 0 104 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.890 106.9 49.3 -59.9 -44.7 24.4 38.9 21.2 214 111 B W H X S+ 0 0 53 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.916 111.9 49.5 -62.4 -43.1 28.1 39.2 21.9 215 112 B L H X S+ 0 0 1 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.948 110.1 51.2 -57.6 -46.8 27.4 42.6 23.6 216 113 B E H >< S+ 0 0 63 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.872 109.0 51.3 -58.2 -42.1 24.5 41.0 25.6 217 114 B A H 3< S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.847 114.2 42.7 -67.5 -34.4 26.9 38.2 26.8 218 115 B N H 3< S+ 0 0 36 -4,-1.9 -156,-2.1 -3,-0.2 -155,-0.3 0.459 89.7 119.6 -90.7 2.6 29.6 40.7 27.9 219 116 B R B << S-D 61 0B 30 -3,-0.7 -158,-0.3 -4,-0.7 -159,-0.1 -0.293 77.3 -98.1 -70.2 147.8 27.0 43.1 29.6 220 117 B N - 0 0 50 -160,-2.5 -1,-0.1 1,-0.2 -158,-0.1 -0.550 19.7-146.4 -68.6 120.7 27.3 43.8 33.3 221 118 B P 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.877 360.0 360.0 -48.9 -38.8 24.8 41.5 35.2 222 119 B Q 0 0 180 -163,-0.1 -162,-0.0 -161,-0.1 -161,-0.0 -0.757 360.0 360.0 99.6 360.0 24.7 44.6 37.4