==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REPRESSOR 04-JAN-13 2M30 . COMPND 2 MOLECULE: REPRESSOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.K.CHAKRAVORTY,B.I.WANG,C.I.LEE,A.J.GUERRA,D.P.GIEDROC,K.M. . 190 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 67.9 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 . 14 7.4 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 . 2 1.1 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 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.2 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 0 0 0 2 1 1 2 0 0 4 0 0 0 0 0 0 0 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 . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 N 0 0 155 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.7 34.8 42.2 19.2 2 10 A T > - 0 0 31 3,-0.0 2,-2.9 2,-0.0 3,-1.7 0.666 360.0-175.3-148.5 -36.8 36.4 42.3 22.7 3 11 A D T 3 S- 0 0 158 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.133 92.3 -2.8 56.7 -40.2 40.3 42.3 22.9 4 12 A T T >> S+ 0 0 30 -2,-2.9 3,-0.9 183,-0.0 4,-0.7 0.427 104.0 101.5-150.0 -18.3 40.2 42.1 26.7 5 13 A L H <> S+ 0 0 10 -3,-1.7 4,-2.1 1,-0.3 3,-0.4 0.807 83.9 48.5 -61.5 -35.8 36.6 42.2 27.8 6 14 A E H 3> S+ 0 0 103 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.724 106.5 58.2 -82.5 -18.7 36.0 38.5 28.5 7 15 A R H <4 S+ 0 0 168 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.691 104.8 54.3 -74.4 -9.7 39.3 38.5 30.5 8 16 A V H >X S+ 0 0 0 -4,-0.7 3,-1.4 -3,-0.4 4,-0.7 0.846 102.6 51.9 -94.1 -33.2 37.5 41.3 32.6 9 17 A T H >X S+ 0 0 15 -4,-2.1 4,-2.3 1,-0.2 3,-0.6 0.824 99.8 68.3 -57.3 -29.0 34.4 39.0 33.3 10 18 A E H 3< S+ 0 0 120 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.669 101.7 43.6 -68.4 -11.7 37.2 36.7 34.4 11 19 A I H <4 S+ 0 0 3 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.2 0.482 109.0 55.5-102.1 -4.4 37.9 39.3 37.4 12 20 A F H X< S+ 0 0 11 -4,-0.7 3,-2.3 -3,-0.6 2,-1.8 0.819 97.5 67.0 -85.7 -36.2 34.1 39.6 38.0 13 21 A K T 3< S+ 0 0 157 -4,-2.3 -1,-0.2 1,-0.3 96,-0.0 -0.639 96.2 55.4 -71.9 60.8 34.4 35.8 38.4 14 22 A A T 3 S+ 0 0 4 -2,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.169 106.5 51.0-168.7 -14.0 36.4 36.6 41.4 15 23 A L < + 0 0 3 -3,-2.3 94,-0.2 93,-0.2 -2,-0.1 0.541 57.8 105.7-105.0-131.8 33.7 38.8 43.3 16 24 A G S S+ 0 0 57 92,-0.8 2,-0.3 89,-0.1 93,-0.1 0.526 71.0 77.8 74.3 -0.4 30.0 37.6 43.8 17 25 A D S S- 0 0 63 1,-0.2 4,-0.3 -3,-0.1 91,-0.1 -0.935 73.9-123.5-144.9 161.5 30.2 36.8 47.6 18 26 A Y S >> S+ 0 0 75 -2,-0.3 3,-1.2 2,-0.1 4,-1.2 0.991 98.0 28.9 -81.8 -75.7 30.2 38.9 50.9 19 27 A N H 3> S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.816 106.1 76.8 -65.9 -39.1 33.3 38.4 53.2 20 28 A R H 3> S+ 0 0 46 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.811 111.6 26.9 -22.6 -41.3 35.5 37.6 50.1 21 29 A I H <> S+ 0 0 0 -3,-1.2 4,-2.5 -4,-0.3 -1,-0.2 0.591 111.7 66.5-114.6 -11.0 35.5 41.4 49.5 22 30 A R H X S+ 0 0 57 -4,-1.2 4,-0.9 2,-0.2 -2,-0.2 0.725 104.1 50.8 -71.9 -29.6 34.9 42.5 53.1 23 31 A I H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 3,-0.3 0.915 111.3 46.6 -58.4 -52.9 38.5 41.0 53.6 24 32 A M H X S+ 0 0 1 -4,-0.6 4,-1.4 -5,-0.3 -2,-0.2 0.840 101.6 62.7 -79.5 -41.1 39.7 43.0 50.6 25 33 A E H < S+ 0 0 72 -4,-2.5 3,-0.3 2,-0.2 -1,-0.3 0.940 111.5 41.4 -22.2 -64.8 38.1 46.3 51.9 26 34 A L H >X S+ 0 0 23 -4,-0.9 4,-3.1 -3,-0.3 3,-2.6 0.900 109.2 56.0 -65.3 -49.6 40.4 45.9 54.9 27 35 A L H 3< S+ 0 0 10 -4,-2.3 47,-0.3 1,-0.3 -1,-0.2 0.767 95.9 72.7 -50.7 -26.1 43.6 44.8 52.7 28 36 A S T 3< S+ 0 0 28 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.409 116.8 14.6 -71.8 -0.8 42.7 48.1 51.0 29 37 A V T <4 S+ 0 0 121 -3,-2.6 2,-0.3 1,-0.4 -2,-0.2 0.399 139.7 14.8-130.6 -39.1 44.2 49.8 54.1 30 38 A S S < S- 0 0 78 -4,-3.1 -1,-0.4 2,-0.0 2,-0.3 -0.998 74.6-121.4-136.0 147.5 46.1 47.1 56.1 31 39 A E + 0 0 118 -2,-0.3 2,-0.3 -3,-0.1 42,-0.2 -0.652 35.8 171.2 -88.8 125.0 47.4 43.5 54.9 32 40 A A - 0 0 5 -2,-0.3 2,-0.3 40,-0.2 -5,-0.0 -0.957 17.6-143.0-141.4 154.1 46.2 40.4 56.9 33 41 A S >> - 0 0 25 -2,-0.3 4,-2.6 38,-0.1 3,-0.7 -0.799 40.9 -77.9-115.6 159.7 46.4 36.5 56.6 34 42 A V H 3> S+ 0 0 24 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.641 127.5 41.5 -8.7 -64.3 44.2 33.4 57.4 35 43 A G H 3> S+ 0 0 43 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.969 123.0 38.6 -67.6 -45.8 44.8 33.4 61.1 36 44 A H H <> S+ 0 0 100 -3,-0.7 4,-3.5 2,-0.2 5,-0.2 0.766 113.5 53.6 -74.4 -31.4 44.5 37.2 61.6 37 45 A I H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 6,-0.4 0.963 108.9 52.5 -57.7 -56.2 41.6 37.7 59.0 38 46 A S H <>S+ 0 0 16 -4,-2.0 5,-0.7 -5,-0.3 -2,-0.2 0.815 118.1 38.3 -51.8 -27.3 39.8 34.9 61.2 39 47 A H H ><5S+ 0 0 133 -4,-1.0 3,-1.2 3,-0.2 -2,-0.2 0.966 120.3 42.3 -82.2 -59.3 40.5 37.1 64.2 40 48 A Q H 3<5S+ 0 0 87 -4,-3.5 -3,-0.2 1,-0.3 -2,-0.2 0.802 127.3 30.2 -68.3 -34.8 40.0 40.6 62.7 41 49 A L T 3<5S- 0 0 13 -4,-3.1 -1,-0.3 -5,-0.2 -3,-0.2 0.305 109.0-116.8-100.4 5.0 36.7 39.8 60.7 42 50 A N T < 5 + 0 0 143 -3,-1.2 -3,-0.2 -5,-0.3 -4,-0.2 0.917 69.6 138.6 48.5 62.4 35.5 37.1 63.2 43 51 A L < - 0 0 38 -5,-0.7 2,-0.3 -6,-0.4 -1,-0.1 0.030 50.3 -99.5-108.8-152.5 35.8 34.3 60.5 44 52 A S > - 0 0 54 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.988 12.2-131.0-146.6 154.1 37.1 30.7 60.5 45 53 A Q H > S+ 0 0 133 -2,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.900 105.9 54.3 -82.0 -34.9 40.4 29.0 59.4 46 54 A S H 4 S+ 0 0 103 1,-0.2 -1,-0.2 2,-0.2 -12,-0.0 0.912 115.8 43.6 -48.9 -51.0 39.0 26.1 57.3 47 55 A N H >> S+ 0 0 70 2,-0.2 4,-1.9 3,-0.1 3,-1.9 0.869 111.4 48.3 -63.8 -50.6 37.1 28.8 55.4 48 56 A V H 3X>S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.3 5,-0.7 0.961 103.3 64.7 -65.9 -36.9 39.9 31.4 54.9 49 57 A S H 3<5S+ 0 0 64 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.422 112.3 37.2 -60.6 6.9 42.2 28.5 53.7 50 58 A H H <>5S+ 0 0 137 -3,-1.9 4,-2.2 3,-0.1 -2,-0.2 0.604 121.9 40.3-123.0 -34.9 39.6 28.3 50.8 51 59 A Q H X5S+ 0 0 28 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.966 115.5 47.3 -86.3 -45.1 38.8 32.0 50.2 52 60 A L H X5S+ 0 0 2 -4,-1.5 4,-1.6 1,-0.2 -3,-0.2 0.823 117.8 48.3 -54.2 -38.1 42.3 33.6 50.6 53 61 A K H ><>S+ 0 0 0 -4,-2.7 5,-1.7 2,-0.2 6,-1.6 0.877 113.8 51.8 -65.8 -36.8 41.2 35.0 45.5 56 64 A K H ><5S+ 0 0 95 -4,-1.6 3,-1.2 -5,-0.3 -1,-0.2 0.936 111.3 47.5 -54.5 -54.5 45.0 34.2 45.4 57 65 A S H 3<5S+ 0 0 86 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.408 112.6 49.3 -76.3 5.0 44.3 31.9 42.4 58 66 A V T <<5S- 0 0 35 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.098 112.6-116.9-124.3 18.1 42.1 34.5 40.7 59 67 A H T < 5S+ 0 0 68 -3,-1.2 -3,-0.2 2,-0.2 20,-0.1 0.620 91.1 104.3 58.3 25.9 44.7 37.3 41.0 60 68 A L S -A 69 0A 104 3,-3.6 3,-2.2 -2,-0.2 2,-0.2 -0.845 64.4 -78.2-132.7 79.9 57.6 35.0 56.0 67 75 A G T 3 S- 0 0 38 -2,-0.3 -1,-0.2 1,-0.3 0, 0.0 -0.396 117.2 -4.1 53.3-118.7 59.3 31.7 57.1 68 76 A Q T 3 S+ 0 0 208 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.520 132.9 71.6 -75.3 -7.7 56.5 29.4 58.2 69 77 A S E < -A 66 0A 64 -3,-2.2 -3,-3.6 -36,-0.0 2,-0.4 -0.761 64.5-153.7-100.9 154.2 53.9 32.3 57.6 70 78 A M E -A 65 0A 81 -2,-0.3 -5,-0.2 -5,-0.3 2,-0.2 -0.998 7.1-153.9-127.0 125.6 52.6 34.0 54.6 71 79 A I E -A 64 0A 73 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.3 -0.589 21.1-150.3 -71.8 149.4 51.4 37.6 54.7 72 80 A Y E +A 63 0A 35 -9,-0.3 -9,-0.2 -2,-0.2 2,-0.2 -0.956 19.8 166.9-134.5 159.7 48.7 38.4 52.0 73 81 A S E -A 62 0A 28 -11,-2.2 -11,-2.4 -2,-0.3 -45,-0.1 -0.902 44.2 -74.4-148.2 166.2 47.6 41.5 49.9 74 82 A L E -A 61 0A 20 -47,-0.3 -13,-0.3 -2,-0.2 -12,-0.1 -0.304 50.7-116.3 -53.3 161.1 45.6 42.8 46.9 75 83 A D S S- 0 0 37 -15,-1.2 2,-0.3 1,-0.3 -14,-0.1 0.936 81.8 -25.4 -75.4 -48.1 47.4 41.9 43.6 76 84 A D S > S- 0 0 46 -16,-0.2 4,-2.1 -17,-0.1 3,-0.4 -0.964 72.5 -85.9-150.4-176.0 48.0 45.5 42.6 77 85 A I H > S+ 0 0 122 -2,-0.3 4,-0.7 1,-0.2 108,-0.1 0.646 118.8 69.0 -71.4 -14.0 46.6 49.1 43.1 78 86 A H H > S+ 0 0 19 2,-0.2 4,-1.8 3,-0.1 3,-0.4 0.971 105.5 36.0 -65.1 -58.5 44.1 48.3 40.2 79 87 A V H > S+ 0 0 6 -3,-0.4 4,-1.8 2,-0.2 5,-0.2 0.934 114.4 57.4 -65.8 -40.7 42.1 45.7 42.2 80 88 A A H X S+ 0 0 16 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.764 109.6 48.2 -51.5 -29.7 42.5 47.9 45.4 81 89 A T H X S+ 0 0 30 -4,-0.7 4,-2.5 -3,-0.4 -2,-0.2 0.880 106.0 55.9 -84.9 -34.4 40.9 50.7 43.3 82 90 A M H X S+ 0 0 5 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.943 113.9 38.1 -53.3 -64.0 38.0 48.5 42.1 83 91 A L H >X S+ 0 0 3 -4,-1.8 4,-2.2 2,-0.2 3,-0.5 0.872 117.9 49.3 -68.1 -37.1 36.8 47.5 45.7 84 92 A K H 3< S+ 0 0 106 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.874 111.1 51.0 -73.1 -33.4 37.5 51.1 47.3 85 93 A Q H 3X S+ 0 0 32 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.680 111.3 47.2 -73.6 -17.2 35.6 52.9 44.5 86 94 A A H XX S+ 0 0 1 -4,-0.6 4,-1.6 -3,-0.5 3,-1.1 0.901 106.0 57.3 -79.1 -45.7 32.7 50.5 45.0 87 95 A I H 3< S+ 0 0 15 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.241 107.8 53.8 -67.4 11.8 32.9 51.2 48.8 88 96 A H H 34 S+ 0 0 67 -5,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.604 107.0 44.0-120.1 -27.3 32.4 54.9 47.6 89 97 A H H << S+ 0 0 17 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.608 96.6 76.4 -92.9 -11.9 29.2 54.5 45.5 90 98 A A S < S+ 0 0 17 -4,-1.6 2,-0.3 1,-0.2 -1,-0.1 0.841 115.6 4.7 -61.2 -44.0 27.6 52.4 48.2 91 99 A N - 0 0 60 -3,-0.1 -1,-0.2 -4,-0.1 9,-0.0 -0.967 62.2-157.6-136.0 155.5 27.0 55.7 50.4 92 100 A H + 0 0 106 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.666 27.3 171.6-132.8 69.7 27.6 59.4 49.6 93 101 A P - 0 0 92 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 -0.574 36.0 -91.3 -92.1 163.8 28.0 61.4 52.8 94 102 A K 0 0 210 -2,-0.2 -2,-0.0 1,-0.0 0, 0.0 -0.264 360.0 360.0 -63.3 149.0 29.0 65.0 53.7 95 103 A E 0 0 230 -2,-0.0 -1,-0.0 0, 0.0 0, 0.0 -0.988 360.0 360.0-140.3 360.0 32.7 65.8 54.5 96 !* 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 97 9 B N 0 0 200 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.4 26.9 47.0 60.7 98 10 B T - 0 0 37 2,-0.0 2,-2.4 0, 0.0 3,-0.3 0.430 360.0-156.4-147.2 -19.8 29.3 48.1 57.8 99 11 B D S S+ 0 0 110 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.365 84.8 43.0 63.8 -53.8 27.7 50.8 55.7 100 12 B T S >> S+ 0 0 24 -2,-2.4 3,-1.9 2,-0.2 4,-1.5 0.963 110.2 45.8 -95.6 -71.7 29.7 50.1 52.5 101 13 B L H 3> S+ 0 0 2 -3,-0.3 4,-1.7 1,-0.3 3,-0.5 0.869 107.9 59.5 -32.9 -56.7 30.0 46.3 51.9 102 14 B E H 34 S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.380 114.0 38.2 -69.6 0.9 26.3 45.8 52.6 103 15 B R H <4 S+ 0 0 116 -3,-1.9 4,-0.3 2,-0.1 -1,-0.3 0.504 112.8 52.0-124.5 -21.6 25.5 48.2 49.6 104 16 B V H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.5 3,-0.5 0.597 87.9 77.8 -95.1 -14.0 28.2 47.2 47.1 105 17 B T H X S+ 0 0 42 -4,-1.7 4,-1.3 1,-0.2 5,-0.4 0.911 93.1 57.2 -43.8 -45.9 27.4 43.5 47.1 106 18 B E H > S+ 0 0 84 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.830 111.9 41.0 -52.2 -39.5 24.6 44.6 44.9 107 19 B I H > S+ 0 0 10 -3,-0.5 4,-1.1 -4,-0.3 -2,-0.2 0.968 109.1 56.0 -72.5 -49.0 27.2 46.2 42.5 108 20 B F H < S+ 0 0 3 -4,-2.5 -92,-0.8 1,-0.3 -93,-0.2 0.517 112.2 40.2 -88.8 -4.9 29.9 43.5 42.4 109 21 B K H >< S+ 0 0 142 -4,-1.3 3,-2.1 -5,-0.2 -1,-0.3 0.789 110.3 58.6 -88.4 -39.7 27.6 40.6 41.3 110 22 B A H 3< S+ 0 0 14 -4,-0.7 -2,-0.2 -5,-0.4 -3,-0.1 0.744 91.6 72.5 -60.2 -15.3 25.6 42.8 38.8 111 23 B L T 3< + 0 0 2 -4,-1.1 2,-2.6 1,-0.2 -1,-0.3 0.681 68.3 112.8 -65.6 -24.7 28.9 43.5 37.0 112 24 B G < + 0 0 45 -3,-2.1 2,-0.3 -100,-0.1 -1,-0.2 -0.052 54.1 71.2 -64.3 43.6 29.0 39.8 35.6 113 25 B D > - 0 0 40 -2,-2.6 4,-1.5 -3,-0.1 5,-0.2 -0.973 66.5-142.5-155.0 138.1 28.5 40.2 31.8 114 26 B Y H > S+ 0 0 69 -2,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.836 101.9 55.3 -69.8 -26.3 31.0 41.5 29.4 115 27 B N H > S+ 0 0 32 2,-0.2 4,-1.2 1,-0.2 3,-0.2 0.984 105.4 52.2 -72.5 -51.0 28.2 43.3 27.3 116 28 B R H > S+ 0 0 69 1,-0.3 4,-0.6 2,-0.2 3,-0.2 0.771 116.8 36.5 -46.6 -51.6 26.9 45.2 30.2 117 29 B I H X S+ 0 0 0 -4,-1.5 4,-2.5 -6,-0.2 -1,-0.3 0.795 103.3 69.7 -88.1 -31.4 30.2 46.7 31.3 118 30 B R H X S+ 0 0 60 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.785 100.6 53.1 -58.3 -27.0 31.6 47.2 27.7 119 31 B I H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.2 -1,-0.2 0.868 109.3 45.9 -72.8 -38.2 29.0 49.9 27.4 120 32 B M H X S+ 0 0 1 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.913 102.7 63.6 -85.0 -42.1 30.1 51.7 30.7 121 33 B E H < S+ 0 0 74 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.941 111.5 39.3 -5.0 -70.9 33.7 51.5 29.6 122 34 B L H >X S+ 0 0 38 -4,-1.0 4,-2.9 1,-0.2 3,-2.4 0.956 111.9 54.3 -72.8 -53.4 32.6 53.8 26.7 123 35 B L H 3< S+ 0 0 10 -4,-2.6 47,-0.3 1,-0.3 -1,-0.2 0.853 98.3 66.7 -47.1 -38.6 30.2 56.1 28.7 124 36 B S T 3< S+ 0 0 34 -4,-2.4 -1,-0.3 -3,-0.2 -2,-0.2 0.590 118.4 22.6 -63.1 -17.2 33.1 56.8 31.1 125 37 B V T <4 S+ 0 0 110 -3,-2.4 2,-0.3 -4,-0.3 -2,-0.2 0.655 140.5 6.7-114.9 -30.6 34.8 58.6 28.3 126 38 B S S < S- 0 0 74 -4,-2.9 2,-0.3 2,-0.0 -1,-0.2 -0.966 74.0-121.8-159.7 131.4 31.9 59.5 25.9 127 39 B E + 0 0 108 -2,-0.3 2,-0.3 -4,-0.1 42,-0.1 -0.509 28.6 170.3 -84.4 140.8 28.0 59.2 26.3 128 40 B A - 0 0 4 -2,-0.3 2,-0.2 40,-0.2 -5,-0.1 -0.949 24.1-131.7-139.8 154.5 25.6 57.4 24.1 129 41 B S >> - 0 0 24 -2,-0.3 4,-2.4 38,-0.1 3,-1.1 -0.661 46.5 -83.9 -90.8 159.2 21.8 56.4 24.2 130 42 B V H 3> S+ 0 0 14 36,-0.3 4,-2.2 1,-0.2 5,-0.1 0.741 129.5 48.0 -19.1 -58.3 20.3 52.9 23.5 131 43 B G H 3> S+ 0 0 27 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.888 116.2 38.6 -69.8 -38.3 20.3 53.6 19.8 132 44 B H H <> S+ 0 0 94 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.855 114.9 55.4 -72.5 -35.7 23.9 55.0 19.4 133 45 B I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 6,-0.4 0.904 105.4 54.5 -61.7 -45.4 25.2 52.3 22.0 134 46 B S H <>S+ 0 0 10 -4,-2.2 5,-0.8 -5,-0.4 4,-0.4 0.864 113.9 40.9 -59.1 -40.7 23.6 49.7 19.6 135 47 B H H ><5S+ 0 0 131 -4,-1.0 3,-0.8 3,-0.2 -2,-0.2 0.975 117.8 44.1 -70.9 -58.4 25.6 51.1 16.7 136 48 B Q H 3<5S+ 0 0 102 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.824 127.5 30.5 -48.9 -41.3 29.0 51.7 18.5 137 49 B L T 3<5S- 0 0 13 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.286 104.7-117.9-117.7 7.5 28.8 48.2 20.2 138 50 B N T < 5 + 0 0 130 -3,-0.8 2,-0.2 -4,-0.4 -3,-0.2 0.770 65.7 139.9 66.7 30.1 26.9 46.1 17.7 139 51 B L < - 0 0 29 -5,-0.8 -1,-0.2 -6,-0.4 2,-0.2 -0.706 56.9-101.1-106.7 157.8 23.9 45.4 20.1 140 52 B S > - 0 0 60 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.480 19.1-133.8 -73.6 144.2 20.2 45.3 19.4 141 53 B Q H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.859 109.5 54.5 -67.3 -28.5 18.0 48.4 20.4 142 54 B S H 4 S+ 0 0 101 2,-0.2 -1,-0.2 1,-0.2 -12,-0.0 0.941 111.9 44.2 -67.2 -46.1 15.4 45.9 21.9 143 55 B N H >> S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 3,-1.5 0.931 114.7 45.2 -64.8 -55.6 18.2 44.3 24.0 144 56 B V H 3X>S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.3 5,-0.6 0.892 101.0 70.7 -64.0 -35.8 19.8 47.6 25.1 145 57 B S H 3<5S+ 0 0 62 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.384 114.6 28.1 -51.4 -5.2 16.2 48.9 25.8 146 58 B H H <>5S+ 0 0 143 -3,-1.5 4,-2.0 3,-0.1 -2,-0.2 0.488 119.6 52.6-128.5 -33.4 16.4 46.4 28.7 147 59 B Q H X5S+ 0 0 19 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.908 110.5 50.5 -67.0 -40.1 20.4 46.2 29.6 148 60 B L H X5S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.937 111.6 48.3 -66.2 -38.1 20.5 50.1 29.9 149 61 B K H >S+ 0 0 1 -4,-2.5 5,-1.7 1,-0.2 6,-1.7 0.896 111.2 51.0 -59.8 -37.7 22.3 49.2 34.6 152 64 B K H ><5S+ 0 0 94 -4,-1.9 3,-1.4 4,-0.2 -1,-0.2 0.946 106.2 53.6 -58.0 -55.6 20.3 52.1 35.7 153 65 B S H 3<5S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.637 111.8 45.9 -64.1 -10.0 18.5 49.9 38.4 154 66 B V T 3<5S- 0 0 27 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.322 115.3-125.2-107.8 6.5 22.0 48.9 39.8 155 67 B H T < 5S+ 0 0 108 -3,-1.4 -3,-0.2 -5,-0.3 -2,-0.1 0.649 85.3 110.7 64.4 18.0 22.9 52.6 39.6 156 68 B L S -B 165 0B 135 3,-2.3 3,-1.7 -2,-0.1 2,-1.4 -0.699 57.1 -56.4-161.3 107.4 18.1 66.0 25.9 163 75 B G T 3 S- 0 0 82 1,-0.2 3,-0.0 -2,-0.2 -2,-0.0 -0.486 124.4 -12.3 67.3 -86.2 16.6 68.0 22.9 164 76 B Q T 3 S+ 0 0 208 -2,-1.4 2,-0.3 -3,-0.0 -1,-0.2 0.161 128.5 42.7-140.1 24.2 14.7 65.1 21.1 165 77 B S E < S-B 162 0B 61 -3,-1.7 -3,-2.3 -5,-0.0 2,-0.7 -0.950 80.6-102.3-140.0-178.2 16.1 61.8 22.8 166 78 B M E -B 161 0B 49 -2,-0.3 -36,-0.3 -5,-0.2 -5,-0.3 -0.920 36.8-153.5-106.5 107.1 17.0 60.3 26.1 167 79 B I E -B 160 0B 39 -7,-1.8 -7,-2.3 -2,-0.7 2,-0.3 -0.282 6.3-148.8 -73.3 148.4 20.8 60.3 26.6 168 80 B Y E +B 159 0B 14 -9,-0.2 2,-0.2 -2,-0.1 -9,-0.2 -0.934 25.9 150.3-122.4 150.9 22.4 57.7 28.9 169 81 B S E -B 158 0B 10 -11,-1.6 -11,-2.3 -2,-0.3 2,-0.4 -0.910 47.6 -63.0-158.8-179.8 25.6 58.1 31.0 170 82 B L E -B 157 0B 21 -47,-0.3 -13,-0.3 -13,-0.2 -14,-0.1 -0.759 40.8-128.0 -85.5 137.7 27.4 56.9 34.3 171 83 B D S S- 0 0 48 -15,-1.5 2,-0.2 -2,-0.4 -1,-0.1 0.875 77.5 -30.5 -51.8 -56.0 25.7 57.8 37.5 172 84 B D > - 0 0 48 -16,-0.2 4,-0.9 -3,-0.0 3,-0.3 -0.873 69.2 -86.2-156.9 173.8 28.9 59.4 39.1 173 85 B I H > S+ 0 0 121 -2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.591 107.3 79.4 -58.4 -16.6 32.7 59.2 39.0 174 86 B H H >> S+ 0 0 40 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.986 102.6 29.4 -56.2 -68.7 32.9 56.5 41.7 175 87 B V H 3> S+ 0 0 2 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.682 111.5 64.8 -76.8 -16.1 32.0 53.5 39.5 176 88 B A H 3X S+ 0 0 12 -4,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.883 107.7 45.2 -63.0 -35.4 33.5 55.0 36.4 177 89 B T H X S+ 0 0 1 -4,-1.7 4,-1.3 2,-0.2 3,-0.6 0.997 113.8 45.2 -61.2 -52.7 35.9 51.1 39.5 179 91 B L H 3X S+ 0 0 2 -4,-2.5 4,-1.4 1,-0.3 3,-0.3 0.875 109.8 54.8 -68.9 -40.2 35.1 50.1 35.8 180 92 B K H 3X S+ 0 0 113 -4,-2.3 4,-1.2 1,-0.2 -1,-0.3 0.902 108.8 50.3 -52.5 -40.7 38.4 51.8 34.5 181 93 B Q H < S+ 0 0 86 -4,-1.2 3,-0.6 1,-0.2 -2,-0.2 0.900 109.0 47.7 -79.0 -39.3 43.5 48.1 33.9 185 97 B H H 3< S+ 0 0 6 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.806 114.5 49.0 -62.9 -32.5 43.9 44.9 35.9 186 98 B A T 3< S+ 0 0 12 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.451 111.9 46.5 -86.3 -9.7 43.0 42.9 32.8 187 99 B N < + 0 0 90 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 -0.141 68.2 176.2-131.2 47.7 45.3 44.6 30.3 188 100 B H - 0 0 45 -3,-0.4 3,-0.2 1,-0.1 -3,-0.1 -0.272 22.1-153.3 -55.4 128.9 48.9 44.9 31.8 189 101 B P S S+ 0 0 125 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.552 82.0 25.2 -77.9 -3.0 51.4 46.4 29.2 190 102 B K 0 0 186 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.840 360.0 360.0-167.8 112.8 54.3 44.6 31.0 191 103 B E 0 0 200 -2,-0.2 0, 0.0 -3,-0.2 0, 0.0 -0.425 360.0 360.0-112.9 360.0 54.5 41.5 33.2