==== 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 16-AUG-07 2QZ8 . COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.M.R.MANCHI,K.GOKULAN,T.IOERGER,W.R.JACOBS JR.,J.C.SACCHETT . 584 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 69.0 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 . 115 19.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 44 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.7 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 4 0 0 4 0 1 1 3 3 0 4 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 2 0 2 4 0 7 1 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 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 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 5 A L 0 0 84 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.6 60.5 37.0 24.7 2 6 A D > - 0 0 77 1,-0.1 4,-2.1 4,-0.0 3,-0.4 -0.277 360.0 -93.8 -66.3 160.9 62.2 34.6 22.4 3 7 A D H > S+ 0 0 136 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.753 125.8 53.1 -46.9 -30.6 60.6 34.0 19.0 4 8 A I H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 106.8 47.2 -78.3 -47.5 58.8 31.0 20.4 5 9 A D H > S+ 0 0 6 -3,-0.4 4,-2.9 1,-0.2 5,-0.2 0.847 108.1 62.7 -55.2 -34.1 57.2 32.8 23.4 6 10 A R H X S+ 0 0 56 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.928 104.3 43.9 -56.9 -50.3 56.3 35.4 20.8 7 11 A I H X S+ 0 0 55 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.891 112.5 52.2 -64.3 -41.7 54.1 32.9 18.8 8 12 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.950 111.9 46.1 -60.1 -48.1 52.5 31.6 22.0 9 13 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.928 112.7 51.1 -60.5 -46.4 51.6 35.1 23.1 10 14 A R H X S+ 0 0 88 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.943 112.8 44.5 -52.0 -54.1 50.3 35.9 19.6 11 15 A E H X S+ 0 0 39 -4,-2.9 4,-2.1 1,-0.2 7,-0.2 0.904 113.8 50.7 -62.8 -42.1 48.1 32.8 19.4 12 16 A L H < S+ 0 0 4 -4,-2.8 481,-2.6 -5,-0.2 -1,-0.2 0.900 109.9 49.8 -62.3 -42.5 46.9 33.4 23.0 13 17 A A H < S+ 0 0 9 -4,-2.8 3,-0.3 479,-0.2 -1,-0.2 0.894 109.5 52.2 -63.3 -39.7 46.0 37.0 22.1 14 18 A A H < S- 0 0 76 -4,-2.4 477,-0.3 1,-0.3 2,-0.2 0.896 136.0 -6.8 -64.7 -37.0 44.1 35.8 19.0 15 19 A D >< - 0 0 45 -4,-2.1 3,-2.0 -5,-0.2 477,-0.3 -0.753 55.3-155.6-164.4 109.1 42.0 33.3 21.1 16 20 A G T 3 S+ 0 0 4 475,-3.1 476,-0.1 1,-0.3 -4,-0.1 0.688 93.8 65.7 -61.8 -18.0 42.5 32.4 24.7 17 21 A R T 3 + 0 0 103 474,-0.1 -1,-0.3 440,-0.1 -5,-0.1 0.574 66.9 130.4 -81.6 -8.8 40.9 29.1 24.1 18 22 A V < - 0 0 15 -3,-2.0 2,-0.1 -7,-0.2 -3,-0.0 -0.178 57.8-126.5 -50.0 130.7 43.7 27.8 21.8 19 23 A T > - 0 0 68 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.333 14.8-108.8 -83.7 165.6 44.6 24.3 23.1 20 24 A L H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 14,-0.1 0.866 119.4 52.6 -56.0 -38.7 48.1 23.0 24.1 21 25 A S H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 108.8 47.8 -65.7 -43.3 48.1 20.8 21.0 22 26 A E H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.850 112.6 50.0 -67.5 -32.2 47.3 23.6 18.7 23 27 A L H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 5,-0.4 0.891 107.2 55.8 -71.4 -37.3 50.0 25.6 20.3 24 28 A A H X>S+ 0 0 10 -4,-2.3 4,-2.9 -5,-0.2 5,-2.1 0.909 112.4 40.0 -62.1 -44.5 52.4 22.7 20.0 25 29 A T H <5S+ 0 0 114 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.895 118.2 48.0 -72.4 -38.3 52.0 22.5 16.2 26 30 A R H <5S+ 0 0 119 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.840 123.3 33.7 -70.0 -32.6 51.9 26.3 15.7 27 31 A A H <5S- 0 0 21 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.885 108.4-120.3 -87.2 -45.0 55.0 26.7 17.9 28 32 A G T <5S+ 0 0 58 -4,-2.9 2,-0.2 -5,-0.4 -3,-0.2 0.769 72.4 99.3 102.8 43.6 56.8 23.5 16.9 29 33 A L S - 0 0 65 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.370 41.3-112.9 -85.2 175.0 55.5 19.2 22.6 31 35 A V H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.773 116.4 56.5 -81.8 -24.7 52.5 20.0 24.7 32 36 A S H > S+ 0 0 91 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.865 109.3 45.9 -71.4 -38.2 54.5 19.6 27.9 33 37 A A H > S+ 0 0 32 2,-0.2 4,-2.8 3,-0.1 3,-0.5 0.985 115.0 46.5 -62.1 -60.9 56.9 22.3 26.7 34 38 A V H X S+ 0 0 0 -4,-1.7 4,-3.3 1,-0.3 5,-0.3 0.952 111.6 52.2 -42.2 -65.8 54.1 24.6 25.6 35 39 A Q H X S+ 0 0 77 -4,-2.7 4,-2.5 1,-0.2 -1,-0.3 0.831 111.6 47.4 -36.6 -46.6 52.3 24.0 28.8 36 40 A S H X S+ 0 0 70 -4,-1.7 4,-2.0 -3,-0.5 -1,-0.2 0.940 113.2 45.5 -70.3 -48.2 55.5 25.0 30.7 37 41 A R H X S+ 0 0 59 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.934 113.6 51.4 -56.8 -48.4 56.2 28.1 28.7 38 42 A V H X S+ 0 0 4 -4,-3.3 4,-2.3 -5,-0.3 -2,-0.2 0.935 109.7 48.0 -58.0 -49.2 52.5 29.1 29.0 39 43 A R H X S+ 0 0 98 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.875 113.5 51.0 -58.4 -33.2 52.5 28.7 32.8 40 44 A R H X S+ 0 0 65 -4,-2.0 4,-2.8 2,-0.2 6,-0.2 0.971 107.5 50.0 -66.4 -55.5 55.7 30.7 32.7 41 45 A L H <>S+ 0 0 0 -4,-3.4 5,-1.9 1,-0.2 6,-1.6 0.839 112.5 49.9 -50.5 -37.8 54.2 33.5 30.7 42 46 A E H ><5S+ 0 0 51 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.2 0.923 110.9 47.3 -69.3 -43.1 51.3 33.6 33.1 43 47 A S H 3<5S+ 0 0 97 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.891 108.4 53.9 -69.2 -38.4 53.5 33.7 36.2 44 48 A R T 3<5S- 0 0 165 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.435 117.6-116.6 -72.2 0.2 55.7 36.5 34.8 45 49 A G T < 5S+ 0 0 27 -3,-1.2 -3,-0.2 -5,-0.2 451,-0.2 0.609 84.1 121.0 74.5 12.1 52.5 38.4 34.3 46 50 A V S > - 0 0 40 432,-3.1 3,-1.4 -2,-0.3 4,-0.8 -0.604 26.6-148.4 -65.7 111.5 29.1 43.1 25.8 56 60 A P G >4>S+ 0 0 23 0, 0.0 5,-2.4 0, 0.0 3,-0.7 0.834 95.1 59.0 -55.2 -35.3 28.5 45.3 28.9 57 61 A E G >45S+ 0 0 120 1,-0.2 3,-1.4 3,-0.2 5,-0.1 0.820 96.9 61.8 -63.2 -31.3 25.1 46.2 27.5 58 62 A A G <45S+ 0 0 29 -3,-1.4 -1,-0.2 1,-0.3 429,-0.1 0.793 104.9 46.3 -69.9 -27.6 24.0 42.6 27.5 59 63 A V G <<5S- 0 0 26 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.141 132.4 -86.3-101.3 21.6 24.4 42.3 31.2 60 64 A G T < 5S+ 0 0 35 -3,-1.4 2,-1.4 1,-0.2 -3,-0.2 0.378 86.5 131.9 99.0 -4.3 22.6 45.5 32.0 61 65 A H < + 0 0 15 -5,-2.4 48,-0.3 1,-0.2 -1,-0.2 -0.623 17.7 155.8 -85.5 87.4 25.5 48.0 31.7 62 66 A L + 0 0 118 -2,-1.4 2,-0.5 46,-0.6 47,-0.2 0.717 58.6 53.4 -91.1 -18.7 23.8 50.6 29.5 63 67 A L E +C 108 0C 24 45,-2.5 45,-2.9 -3,-0.2 2,-0.3 -0.968 61.6 175.8-122.9 121.5 25.9 53.5 30.6 64 68 A S E +C 107 0C 14 -2,-0.5 70,-1.8 70,-0.4 2,-0.3 -0.834 8.9 166.8-115.5 159.8 29.7 53.6 30.4 65 69 A A E -CD 106 133C 0 41,-2.0 41,-2.5 -2,-0.3 2,-0.4 -0.972 36.8-116.8-166.2 150.3 32.0 56.5 31.2 66 70 A F E -CD 105 132C 14 66,-2.7 66,-3.4 -2,-0.3 2,-0.5 -0.799 30.4-161.4 -87.7 138.0 35.5 57.6 32.0 67 71 A V E -CD 104 131C 0 37,-2.8 37,-1.7 -2,-0.4 2,-0.5 -0.958 3.7-161.8-123.3 113.0 35.9 59.1 35.4 68 72 A A E -CD 103 130C 4 62,-2.8 62,-2.2 -2,-0.5 2,-0.3 -0.799 16.5-166.1 -90.6 131.1 38.9 61.2 36.2 69 73 A I E -CD 102 129C 0 33,-2.5 32,-1.9 -2,-0.5 33,-1.7 -0.888 14.7-170.9-122.9 152.1 39.5 61.6 39.9 70 74 A T E - D 0 128C 21 58,-1.4 58,-2.8 -2,-0.3 30,-0.1 -0.992 31.1-113.0-139.7 127.6 41.6 63.9 42.0 71 75 A P E - D 0 127C 5 0, 0.0 56,-0.3 0, 0.0 55,-0.1 -0.340 16.0-136.6 -59.0 141.7 42.2 63.5 45.8 72 76 A L S S+ 0 0 39 54,-2.3 55,-0.1 1,-0.3 3,-0.1 0.798 104.2 38.2 -68.7 -29.1 40.7 66.3 47.9 73 77 A D > + 0 0 69 53,-0.5 3,-1.9 1,-0.1 -1,-0.3 -0.737 69.8 177.3-122.2 87.9 44.0 66.3 49.9 74 78 A P T 3 S+ 0 0 98 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.663 73.0 71.8 -64.7 -16.9 46.8 65.8 47.4 75 79 A S T 3 S+ 0 0 90 -3,-0.1 -3,-0.0 2,-0.1 -2,-0.0 0.617 90.7 68.2 -77.8 -14.5 49.4 66.2 50.1 76 80 A Q S < S- 0 0 112 -3,-1.9 2,-0.5 2,-0.0 -3,-0.1 -0.807 100.9-103.1 -97.4 146.4 48.5 62.8 51.5 77 81 A P - 0 0 108 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.599 38.1-161.8 -63.1 120.3 49.2 59.6 49.7 78 82 A D - 0 0 35 -2,-0.5 5,-0.1 -4,-0.2 -6,-0.1 0.792 6.2-160.3 -80.4 -29.8 45.7 58.9 48.5 79 83 A D > + 0 0 93 1,-0.1 4,-2.4 3,-0.1 5,-0.2 0.843 31.9 158.9 48.4 35.3 46.0 55.2 47.7 80 84 A A H > + 0 0 0 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.886 63.3 48.3 -60.4 -43.7 42.8 55.8 45.5 81 85 A P H > S+ 0 0 3 0, 0.0 4,-0.8 0, 0.0 3,-0.4 0.944 114.8 46.7 -64.9 -40.4 43.1 52.8 43.2 82 86 A A H 4 S+ 0 0 65 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.894 113.0 49.8 -62.5 -39.9 43.7 50.4 46.1 83 87 A R H < S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.2 -3,-0.2 0.724 117.2 40.1 -71.7 -22.1 40.8 52.0 48.0 84 88 A L H >< S+ 0 0 0 -4,-1.5 3,-2.5 -3,-0.4 -1,-0.2 0.453 85.5 101.1-103.0 -5.5 38.4 51.7 45.1 85 89 A E T 3< S+ 0 0 94 -4,-0.8 -2,-0.1 -3,-0.5 -1,-0.1 0.840 75.7 57.4 -56.6 -37.4 39.5 48.3 43.9 86 90 A H T 3 S+ 0 0 117 -4,-0.4 2,-0.8 -3,-0.1 -1,-0.3 0.570 80.4 103.1 -70.7 -7.1 36.6 46.4 45.5 87 91 A I X - 0 0 0 -3,-2.5 3,-1.5 1,-0.2 -3,-0.0 -0.686 60.2-161.1 -82.4 113.1 34.1 48.5 43.5 88 92 A E T 3 S+ 0 0 120 -2,-0.8 -1,-0.2 1,-0.3 -3,-0.0 0.723 82.0 67.9 -74.1 -24.0 33.1 46.2 40.7 89 93 A E T 3 S+ 0 0 48 17,-0.1 18,-1.9 -3,-0.1 2,-0.8 0.644 81.4 91.7 -70.5 -12.7 31.7 48.8 38.4 90 94 A V E < +E 106 0C 0 -3,-1.5 16,-0.2 16,-0.2 3,-0.1 -0.735 50.9 174.9 -83.9 108.1 35.3 50.0 38.0 91 95 A E E + 0 0 13 14,-3.0 492,-2.5 -2,-0.8 2,-0.3 0.865 65.5 5.1 -82.1 -36.1 36.7 48.1 35.0 92 96 A S E -E 105 0C 2 13,-1.2 13,-1.3 489,-0.3 2,-0.4 -0.990 57.5-161.6-149.6 153.1 40.0 49.8 34.8 93 97 A C E +EF 104 580C 0 487,-3.0 486,-2.6 -2,-0.3 487,-1.0 -0.960 13.2 176.6-145.1 122.8 42.1 52.4 36.7 94 98 A Y E -EF 103 578C 9 9,-2.9 9,-2.3 -2,-0.4 2,-0.4 -0.956 27.1-135.3-126.6 142.0 45.1 54.4 35.5 95 99 A S E -EF 102 577C 15 482,-2.4 481,-2.5 -2,-0.4 482,-1.2 -0.777 37.1-172.7 -85.8 144.9 47.3 57.0 37.0 96 100 A V E - F 0 575C 9 5,-1.8 479,-0.2 -2,-0.4 2,-0.1 -0.921 24.7-113.5-137.1 157.7 47.7 59.8 34.4 97 101 A A S S+ 0 0 45 477,-2.3 2,-0.3 -2,-0.3 3,-0.2 -0.397 76.7 48.8 -78.6 169.1 49.7 63.0 33.8 98 102 A G S S- 0 0 73 1,-0.2 -2,-0.1 -2,-0.1 475,-0.0 -0.704 109.5 -29.8 102.5-154.2 47.9 66.3 33.7 99 103 A E S S+ 0 0 162 -2,-0.3 -1,-0.2 -29,-0.0 2,-0.2 0.905 118.4 55.8 -73.9 -51.4 45.3 67.8 36.0 100 104 A E S S- 0 0 31 -3,-0.2 -30,-0.2 1,-0.1 -4,-0.2 -0.487 73.5-139.3 -84.2 160.8 43.5 64.8 37.3 101 105 A S S S+ 0 0 38 -32,-1.9 -5,-1.8 1,-0.2 2,-0.3 0.837 77.0 11.6 -90.6 -38.2 45.3 62.0 39.1 102 106 A Y E -CE 69 95C 24 -33,-1.7 -33,-2.5 -7,-0.3 2,-0.4 -0.963 57.2-150.7-139.1 154.9 43.6 58.9 37.8 103 107 A V E -CE 68 94C 17 -9,-2.3 -9,-2.9 -2,-0.3 2,-0.3 -0.988 18.9-171.8-125.1 138.1 41.2 57.9 35.0 104 108 A M E -CE 67 93C 0 -37,-1.7 -37,-2.8 -2,-0.4 2,-0.5 -0.947 21.8-136.7-128.9 147.8 38.8 55.0 35.4 105 109 A L E -CE 66 92C 5 -13,-1.3 -14,-3.0 -2,-0.3 -13,-1.2 -0.942 32.2-177.2-103.8 128.8 36.4 53.2 33.1 106 110 A V E -CE 65 90C 0 -41,-2.5 -41,-2.0 -2,-0.5 2,-0.4 -0.924 14.9-160.0-130.8 140.9 33.2 52.6 34.8 107 111 A R E +C 64 0C 21 -18,-1.9 2,-0.3 -2,-0.4 -43,-0.2 -0.996 18.3 164.2-125.8 136.1 30.0 50.8 33.7 108 112 A V E -C 63 0C 5 -45,-2.9 -45,-2.5 -2,-0.4 -46,-0.6 -0.901 44.9-110.7-144.1 172.6 26.5 51.2 35.3 109 113 A A S S- 0 0 54 -2,-0.3 2,-0.3 -48,-0.3 -47,-0.1 0.813 87.7 -20.4 -76.1 -31.0 22.9 50.4 34.6 110 114 A S S > S- 0 0 49 -47,-0.1 4,-1.8 -48,-0.1 -1,-0.1 -0.925 73.4 -80.9-165.8 176.9 21.7 54.0 34.2 111 115 A A H > S+ 0 0 70 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.928 126.2 50.0 -62.6 -48.9 22.3 57.7 34.7 112 116 A R H > S+ 0 0 165 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 109.8 51.2 -55.8 -42.0 20.9 57.5 38.3 113 117 A A H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 107.3 54.8 -65.0 -34.4 23.2 54.5 39.0 114 118 A L H X S+ 0 0 7 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.888 106.2 50.4 -64.2 -42.4 26.1 56.6 37.7 115 119 A E H X S+ 0 0 68 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.869 111.4 48.6 -66.1 -36.7 25.3 59.4 40.1 116 120 A D H X S+ 0 0 102 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.896 112.8 48.2 -66.0 -44.1 25.2 56.8 43.0 117 121 A L H X S+ 0 0 6 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.895 108.2 53.8 -62.6 -43.9 28.5 55.3 41.9 118 122 A L H X S+ 0 0 17 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.955 110.7 46.6 -59.4 -47.5 30.2 58.7 41.5 119 123 A Q H X S+ 0 0 29 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.887 111.9 51.1 -60.6 -40.1 29.2 59.5 45.1 120 124 A R H X S+ 0 0 102 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.918 110.5 49.3 -64.4 -42.9 30.4 56.1 46.4 121 125 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.946 112.4 47.5 -57.6 -51.0 33.7 56.7 44.6 122 126 A R H X>S+ 0 0 21 -4,-2.7 4,-1.3 1,-0.2 5,-0.9 0.893 115.7 44.1 -58.9 -43.5 34.1 60.1 46.1 123 127 A T H <5S+ 0 0 58 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.930 115.3 48.5 -69.2 -41.9 33.3 58.9 49.6 124 128 A T H <5S+ 0 0 42 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.873 126.8 23.0 -70.1 -39.7 35.4 55.8 49.4 125 129 A A H <5S- 0 0 4 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.403 99.6-121.1-110.8 3.9 38.6 57.5 48.1 126 130 A N T <5 + 0 0 73 -4,-1.3 -54,-2.3 -5,-0.3 -53,-0.5 0.981 68.3 131.0 54.3 60.7 38.1 61.0 49.3 127 131 A V E < -D 71 0C 0 -5,-0.9 2,-0.3 -56,-0.3 -1,-0.2 -0.870 59.7-114.8-134.6 164.2 38.3 62.4 45.7 128 132 A R E -D 70 0C 100 -58,-2.8 -58,-1.4 -2,-0.3 2,-0.4 -0.758 33.4-138.9 -96.3 161.6 36.5 64.7 43.3 129 133 A T E -D 69 0C 24 -2,-0.3 2,-0.4 -60,-0.2 -60,-0.2 -0.952 20.4-177.6-129.8 129.5 34.9 63.2 40.2 130 134 A R E -D 68 0C 63 -62,-2.2 -62,-2.8 -2,-0.4 2,-0.4 -0.939 19.3-158.4-129.4 115.6 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151 8 B I H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.936 109.6 50.7 -70.3 -45.6 84.4 55.2 33.1 152 9 B D H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.874 108.1 56.4 -57.0 -35.7 82.2 57.3 30.8 153 10 B R H X S+ 0 0 83 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.885 106.4 48.0 -63.4 -40.1 80.1 57.8 34.0 154 11 B I H X S+ 0 0 60 -4,-1.6 4,-1.8 -3,-0.3 -2,-0.2 0.908 113.8 47.5 -64.2 -44.7 83.0 59.2 35.9 155 12 B L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.935 114.6 45.7 -60.8 -49.1 83.9 61.5 33.0 156 13 B V H X S+ 0 0 20 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.924 113.0 49.6 -63.1 -45.7 80.4 62.7 32.6 157 14 B R H X S+ 0 0 94 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.784 113.5 48.2 -63.8 -28.8 80.0 63.2 36.4 158 15 B E H X S+ 0 0 49 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.910 112.9 46.2 -75.5 -44.7 83.2 65.2 36.4 159 16 B L H < S+ 0 0 19 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.859 110.2 54.0 -68.0 -35.2 82.3 67.3 33.4 160 17 B A H < S+ 0 0 35 -4,-2.6 3,-0.2 -5,-0.2 -1,-0.2 0.862 107.6 50.8 -66.1 -37.1 78.8 68.0 34.9 161 18 B A H < 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-2,-0.2 0.212 113.7-119.3 -96.4 10.7 77.4 61.2 20.6 192 49 B G T < 5S+ 0 0 43 -3,-1.8 -3,-0.2 2,-0.2 3,-0.2 0.650 84.6 117.6 61.4 13.6 75.6 64.2 22.0 193 50 B V S - 0 0 94 -2,-0.4 4,-0.6 1,-0.2 3,-0.2 -0.418 26.4-149.6 -55.5 114.6 72.2 85.0 34.8 203 60 B P T >4>S+ 0 0 29 0, 0.0 5,-1.8 0, 0.0 3,-1.0 0.863 94.0 55.5 -62.3 -36.1 69.8 86.1 32.0 204 61 B E G >45S+ 0 0 109 1,-0.2 3,-2.0 3,-0.2 5,-0.1 0.916 98.9 61.7 -59.3 -43.9 68.6 89.2 34.0 205 62 B A G 345S+ 0 0 78 1,-0.3 -1,-0.2 -3,-0.2 4,-0.1 0.688 106.2 47.5 -59.7 -17.1 72.1 90.4 34.3 206 63 B V G <<5S- 0 0 88 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.108 129.9 -82.5-115.0 23.9 72.4 90.7 30.5 207 64 B G T < 5S+ 0 0 32 -3,-2.0 2,-1.8 1,-0.1 3,-0.2 0.235 92.7 119.5 105.3 -15.7 69.1 92.5 29.7 208 65 B H < + 0 0 70 -5,-1.8 48,-0.3 1,-0.2 -1,-0.1 -0.560 26.2 157.8 -81.9 75.8 66.6 89.7 29.6 209 66 B L + 0 0 105 -2,-1.8 2,-0.5 47,-0.5 -1,-0.2 0.633 60.7 55.7 -82.9 -11.5 64.5 91.1 32.4 210 67 B L E +K 255 0E 25 45,-2.5 45,-2.9 -3,-0.2 2,-0.3 -0.959 62.4 176.8-122.0 120.7 61.4 89.1 31.3 211 68 B S E +K 254 0E 11 -2,-0.5 70,-2.2 70,-0.5 2,-0.3 -0.871 8.1 177.1-111.5 153.1 61.4 85.3 30.8 212 69 B A E -KL 253 280E 0 41,-2.1 41,-2.7 -2,-0.3 2,-0.5 -0.998 31.8-127.2-149.6 151.2 58.4 83.2 29.8 213 70 B F E -KL 252 279E 91 66,-2.6 66,-3.0 -2,-0.3 2,-0.5 -0.864 30.7-160.0 -90.0 131.4 57.2 79.7 29.0 214 71 B V E -KL 251 278E 0 37,-2.9 37,-1.9 -2,-0.5 2,-0.5 -0.955 5.5-161.4-118.6 115.5 55.5 79.7 25.7 215 72 B A E -KL 250 277E 5 62,-3.3 62,-2.1 -2,-0.5 2,-0.4 -0.830 15.4-164.6 -93.4 127.8 53.1 76.9 24.8 216 73 B I E -KL 249 276E 0 33,-2.8 33,-1.9 -2,-0.5 32,-1.8 -0.894 14.3-170.3-120.3 149.2 52.4 76.6 21.1 217 74 B T E - L 0 275E 21 58,-1.8 58,-3.0 -2,-0.4 30,-0.1 -0.977 29.7-117.8-138.5 114.9 49.8 74.8 19.1 218 75 B P E - L 0 274E 5 0, 0.0 56,-0.3 0, 0.0 55,-0.1 -0.229 14.0-140.4 -51.9 138.4 49.9 74.5 15.3 219 76 B L S S+ 0 0 75 54,-2.2 55,-0.1 1,-0.3 3,-0.1 0.833 100.0 40.5 -73.2 -32.0 47.0 76.2 13.5 220 77 B D > + 0 0 54 53,-0.5 3,-1.8 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