==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/DNA 27-AUG-10 3ON0 . COMPND 2 MOLECULE: PROTEIN TRAM; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.J.W.WONG,J.LU,R.A.EDWARDS,L.S.FROST,J.N.MARK GLOVER . 464 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 83.2 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 . 12 2.6 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 . 17 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 0 4 0 0 0 0 0 0 0 1 4 0 0 0 4 1 0 1 1 0 0 0 0 4 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 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 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 2 A P 0 0 59 0, 0.0 367,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.6 64.4 39.7 13.7 2 3 A K E -A 367 0A 75 365,-0.2 2,-0.4 363,-0.0 365,-0.2 -0.828 360.0-157.4-110.4 140.0 63.8 36.5 15.5 3 4 A I E -A 366 0A 0 363,-2.9 363,-2.3 -2,-0.4 2,-0.6 -0.956 5.0-161.1-120.1 135.1 60.5 35.1 16.6 4 5 A Q E +A 365 0A 83 -2,-0.4 2,-0.4 361,-0.2 361,-0.2 -0.948 17.6 178.3-108.9 111.2 59.8 32.7 19.4 5 6 A T E -A 364 0A 0 359,-2.3 359,-3.2 -2,-0.6 2,-0.9 -0.956 23.7-145.6-113.1 139.1 56.3 31.0 19.1 6 7 A Y E +A 363 0A 132 -2,-0.4 357,-0.2 357,-0.2 2,-0.2 -0.859 32.6 175.1-100.0 103.9 55.0 28.4 21.4 7 8 A V - 0 0 9 355,-2.1 2,-0.1 -2,-0.9 388,-0.0 -0.557 30.2 -98.5-103.4 170.1 52.9 26.1 19.2 8 9 A N > - 0 0 74 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.322 39.0-100.3 -83.9 170.8 51.0 22.9 19.9 9 10 A N H > S+ 0 0 122 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.855 118.9 56.8 -63.3 -36.8 52.2 19.4 19.1 10 11 A N H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.988 109.4 42.5 -51.3 -69.6 50.2 19.2 15.9 11 12 A V H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.917 114.7 52.6 -43.3 -54.0 51.6 22.3 14.3 12 13 A Y H X S+ 0 0 76 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.921 109.4 47.7 -53.8 -50.3 55.1 21.3 15.4 13 14 A E H X S+ 0 0 126 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.961 109.8 53.5 -54.6 -52.3 54.9 17.9 13.9 14 15 A Q H X S+ 0 0 93 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.866 113.0 43.5 -52.4 -42.2 53.6 19.2 10.7 15 16 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 3,-0.4 0.967 111.8 48.8 -71.9 -54.4 56.5 21.6 10.3 16 17 A T H X S+ 0 0 43 -4,-2.7 4,-2.1 1,-0.3 -2,-0.2 0.856 111.5 55.2 -56.0 -31.6 59.3 19.3 11.3 17 18 A D H X S+ 0 0 85 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.3 0.909 105.6 51.0 -62.8 -43.6 57.7 17.0 8.8 18 19 A L H X S+ 0 0 49 -4,-1.6 4,-2.6 -3,-0.4 -2,-0.2 0.909 106.2 53.6 -62.8 -43.1 58.0 19.6 6.2 19 20 A V H X S+ 0 0 15 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.962 111.2 46.9 -55.3 -52.2 61.6 20.2 6.9 20 21 A T H X S+ 0 0 74 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.968 109.6 53.6 -50.1 -58.8 62.2 16.5 6.4 21 22 A I H < S+ 0 0 81 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.888 111.2 47.7 -43.1 -49.0 60.1 16.5 3.2 22 23 A R H ><>S+ 0 0 78 -4,-2.6 3,-4.8 2,-0.2 5,-1.1 0.978 107.9 48.9 -64.2 -63.5 62.3 19.3 1.8 23 24 A K H ><5S+ 0 0 124 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.884 109.5 57.9 -40.6 -41.5 65.8 18.0 2.5 24 25 A Q T 3<5S+ 0 0 156 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.645 101.4 55.9 -66.6 -14.9 64.5 14.9 0.9 25 26 A E T < 5S- 0 0 118 -3,-4.8 -1,-0.3 -4,-0.3 -2,-0.2 0.035 127.8 -98.1-103.2 24.3 63.7 17.0 -2.1 26 27 A G T < 5S+ 0 0 60 -3,-1.8 2,-5.8 1,-0.2 -3,-0.2 0.080 84.0 136.7 82.7 -25.1 67.3 18.2 -2.4 27 28 A I > < + 0 0 70 -5,-1.1 3,-2.2 1,-0.2 -1,-0.2 -0.117 31.4 178.8 -57.1 57.7 66.3 21.4 -0.6 28 29 A E T 3 + 0 0 155 -2,-5.8 -1,-0.2 1,-0.3 2,-0.1 0.784 68.7 53.1 -17.2 -71.9 69.6 21.1 1.4 29 30 A E T 3 S+ 0 0 132 -3,-0.2 -1,-0.3 -7,-0.1 5,-0.1 0.206 75.0 136.4 -71.7 15.7 69.2 24.3 3.4 30 31 A A < + 0 0 6 -3,-2.2 2,-0.3 -2,-0.1 3,-0.1 -0.415 28.9 165.6 -63.4 137.2 65.7 23.4 4.7 31 32 A S > - 0 0 45 1,-0.2 4,-2.9 -2,-0.1 5,-0.2 -0.946 49.0-104.0-149.2 170.6 65.4 24.2 8.4 32 33 A L H > S+ 0 0 49 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.981 122.4 33.3 -60.0 -61.4 62.9 24.7 11.2 33 34 A S H > S+ 0 0 20 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.979 117.1 58.7 -59.7 -59.1 63.1 28.5 11.3 34 35 A N H > S+ 0 0 64 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.833 112.4 37.9 -23.9 -59.8 63.6 28.5 7.6 35 36 A V H X S+ 0 0 3 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.872 112.6 55.0 -75.3 -40.1 60.3 26.7 6.9 36 37 A S H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.903 106.0 55.3 -59.1 -40.8 58.3 28.4 9.6 37 38 A S H X S+ 0 0 19 -4,-3.2 4,-2.9 -5,-0.2 5,-0.2 0.964 108.1 46.9 -54.1 -54.4 59.3 31.7 8.1 38 39 A M H X S+ 0 0 66 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.897 113.4 49.9 -54.5 -40.6 58.0 30.6 4.7 39 40 A L H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.869 109.6 50.2 -69.3 -37.2 54.8 29.5 6.5 40 41 A L H X S+ 0 0 1 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.951 109.5 50.9 -62.7 -50.0 54.4 32.8 8.3 41 42 A E H X S+ 0 0 86 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.943 112.6 47.7 -50.5 -49.1 54.8 34.6 5.0 42 43 A L H X S+ 0 0 36 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.905 110.7 50.3 -61.0 -44.5 52.2 32.4 3.5 43 44 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.871 108.5 52.4 -64.6 -39.9 49.8 32.8 6.5 44 45 A L H X S+ 0 0 6 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.945 104.6 56.1 -58.9 -49.2 50.0 36.6 6.3 45 46 A R H X S+ 0 0 168 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.916 113.8 39.8 -52.8 -46.7 49.2 36.7 2.7 46 47 A V H X S+ 0 0 32 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.971 109.7 57.8 -66.9 -55.8 46.0 34.8 3.3 47 48 A Y H X S+ 0 0 27 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.869 105.9 52.0 -40.4 -50.9 45.0 36.6 6.5 48 49 A M H X S+ 0 0 94 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.956 108.3 50.9 -48.8 -58.6 45.2 40.0 4.5 49 50 A I H < S+ 0 0 85 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.927 112.2 45.6 -46.3 -55.7 42.8 38.6 1.9 50 51 A Q H < S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.926 110.6 55.6 -54.0 -47.0 40.3 37.4 4.5 51 52 A Q H < S+ 0 0 110 -4,-2.9 2,-1.9 -5,-0.3 -1,-0.2 0.906 99.0 63.8 -48.7 -49.7 40.7 40.8 6.2 52 53 A E < 0 0 148 -4,-2.7 -1,-0.2 -5,-0.1 -4,-0.0 -0.504 360.0 360.0 -81.1 70.8 39.8 42.5 2.9 53 54 A K 0 0 205 -2,-1.9 -2,-0.1 -3,-0.1 -3,-0.1 -0.615 360.0 360.0 176.9 360.0 36.2 41.2 2.7 54 ! 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 55 59 A F 0 0 113 0, 0.0 2,-0.8 0, 0.0 185,-0.1 0.000 360.0 360.0 360.0 127.8 27.5 33.6 7.6 56 60 A N > - 0 0 79 1,-0.2 4,-1.9 184,-0.1 5,-0.2 -0.822 360.0-173.1-105.5 101.0 23.9 33.9 8.6 57 61 A Q H > S+ 0 0 77 -2,-0.8 4,-3.5 1,-0.2 5,-0.2 0.931 83.6 49.0 -49.8 -55.3 22.4 30.6 10.0 58 62 A M H > S+ 0 0 85 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.925 111.3 47.2 -60.0 -46.7 18.9 31.8 10.3 59 63 A E H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.873 116.0 47.7 -62.8 -35.2 18.6 33.2 6.8 60 64 A Y H X S+ 0 0 11 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.932 107.9 52.2 -73.7 -49.4 20.2 30.0 5.5 61 65 A N H X S+ 0 0 8 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.900 111.0 51.6 -49.5 -42.1 18.0 27.6 7.5 62 66 A K H X S+ 0 0 84 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.951 108.7 47.7 -63.9 -51.2 15.0 29.5 6.0 63 67 A L H X S+ 0 0 27 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.915 113.3 49.3 -55.6 -43.9 16.2 29.2 2.4 64 68 A M H X S+ 0 0 8 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.926 108.6 51.6 -65.4 -42.7 16.8 25.5 2.8 65 69 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.903 112.0 48.5 -60.2 -40.1 13.4 24.9 4.4 66 70 A E H X S+ 0 0 50 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.969 112.4 45.8 -64.3 -55.1 11.8 26.7 1.4 67 71 A N H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.947 115.9 46.5 -55.2 -49.6 13.7 24.8 -1.2 68 72 A V H X S+ 0 0 6 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.928 114.1 47.4 -59.5 -46.2 13.1 21.5 0.5 69 73 A S H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.925 113.0 49.7 -59.9 -43.2 9.4 22.2 1.0 70 74 A R H X S+ 0 0 31 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.952 110.1 49.9 -59.9 -52.4 9.1 23.3 -2.6 71 75 A V H X S+ 0 0 6 -4,-3.1 4,-3.0 -5,-0.2 5,-0.2 0.898 109.7 52.9 -53.8 -42.5 10.8 20.2 -3.9 72 76 A R H X S+ 0 0 46 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.935 110.0 45.8 -63.1 -46.9 8.5 18.1 -1.8 73 77 A A H X S+ 0 0 12 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.945 113.5 50.9 -57.1 -47.9 5.4 19.7 -3.2 74 78 A M H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.945 110.7 47.8 -58.8 -47.3 6.8 19.4 -6.7 75 79 A C H X S+ 0 0 1 -4,-3.0 4,-3.3 1,-0.2 5,-0.3 0.891 105.1 58.6 -63.8 -39.1 7.6 15.7 -6.3 76 80 A T H X S+ 0 0 29 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.962 112.4 42.0 -51.3 -49.7 4.2 14.9 -4.9 77 81 A E H X S+ 0 0 32 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.930 113.8 49.4 -64.7 -48.1 2.7 16.3 -8.1 78 82 A I H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.917 109.7 54.2 -57.2 -43.0 5.2 14.7 -10.4 79 83 A L H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.954 106.4 50.8 -55.9 -52.3 4.6 11.4 -8.7 80 84 A K H X S+ 0 0 66 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.900 112.7 46.9 -56.0 -40.2 0.9 11.7 -9.3 81 85 A M H >X S+ 0 0 3 -4,-2.2 4,-0.7 2,-0.2 3,-0.6 0.910 108.0 54.1 -69.1 -39.4 1.5 12.3 -12.9 82 86 A S H >< S+ 0 0 17 -4,-2.9 3,-1.8 1,-0.3 6,-0.3 0.937 104.8 55.9 -61.2 -42.9 4.0 9.5 -13.4 83 87 A V H 3< S+ 0 0 20 -4,-2.4 -1,-0.3 1,-0.3 6,-0.2 0.818 104.4 54.5 -53.6 -33.1 1.4 7.2 -12.0 84 88 A L H << S+ 0 0 53 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.625 82.1 112.6 -78.6 -11.9 -1.0 8.4 -14.7 85 89 A N S XX S- 0 0 12 -3,-1.8 4,-2.1 -4,-0.7 3,-0.9 -0.397 74.1-129.1 -66.2 135.1 1.5 7.5 -17.4 86 90 A Q H 3> S+ 0 0 130 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.895 107.8 54.8 -51.2 -46.7 0.2 4.7 -19.5 87 91 A E H 3> S+ 0 0 34 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.853 109.2 49.5 -57.7 -36.8 3.5 2.7 -19.2 88 92 A S H <>>S+ 0 0 2 -3,-0.9 4,-1.0 -6,-0.3 5,-0.6 0.973 109.9 48.9 -64.5 -56.8 3.1 2.9 -15.4 89 93 A I H ><5S+ 0 0 109 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.924 110.3 54.8 -43.5 -50.6 -0.5 1.8 -15.4 90 94 A A H 3<5S+ 0 0 83 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.893 100.2 57.7 -54.3 -44.9 0.6 -1.1 -17.6 91 95 A S H 3<5S- 0 0 37 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.728 91.2-145.5 -62.9 -23.2 3.3 -2.3 -15.2 92 96 A G T <<5S+ 0 0 61 -3,-1.2 3,-0.2 -4,-1.0 -1,-0.1 0.622 75.5 99.0 66.3 12.3 0.7 -2.8 -12.4 93 97 A N < + 0 0 120 -5,-0.6 -4,-0.1 1,-0.2 -1,-0.1 0.391 66.5 62.1-109.9 1.3 3.4 -1.8 -10.0 94 98 A F + 0 0 20 -6,-0.4 2,-0.7 -5,-0.1 -1,-0.2 -0.386 56.1 156.9-130.9 56.3 2.6 1.8 -9.4 95 99 A D >> - 0 0 96 -3,-0.2 3,-2.7 1,-0.2 4,-2.3 -0.751 37.6-144.9 -78.1 113.4 -0.8 1.9 -7.8 96 100 A Y H 3> S+ 0 0 68 -2,-0.7 4,-2.0 1,-0.3 -1,-0.2 0.777 96.3 64.7 -55.4 -28.7 -0.9 5.2 -6.0 97 101 A A H 34 S+ 0 0 69 2,-0.2 -1,-0.3 1,-0.2 -2,-0.0 0.682 114.5 32.4 -69.8 -16.6 -3.0 3.7 -3.2 98 102 A V H <> S+ 0 0 91 -3,-2.7 4,-2.3 2,-0.1 -2,-0.2 0.842 119.0 47.4-102.1 -57.3 -0.0 1.5 -2.4 99 103 A I H X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.873 109.2 57.4 -49.9 -45.4 3.0 3.5 -3.3 100 104 A K H X S+ 0 0 44 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.945 109.9 38.4 -62.2 -55.8 1.7 6.5 -1.4 101 105 A P H > S+ 0 0 65 0, 0.0 4,-3.3 0, 0.0 -1,-0.2 0.907 113.5 59.7 -62.1 -35.6 1.2 5.0 2.0 102 106 A A H X S+ 0 0 53 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.922 106.2 47.5 -54.1 -44.3 4.5 3.1 1.4 103 107 A I H X S+ 0 0 7 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.914 110.8 50.0 -66.2 -42.2 6.2 6.4 1.0 104 108 A D H X S+ 0 0 39 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.932 110.4 51.6 -58.5 -45.4 4.6 7.8 4.2 105 109 A K H X S+ 0 0 109 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.938 108.5 51.5 -54.8 -47.7 5.7 4.7 5.9 106 110 A F H X S+ 0 0 60 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.930 110.5 47.8 -58.8 -49.1 9.3 5.2 4.6 107 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.921 111.1 50.5 -54.6 -49.8 9.4 8.8 5.9 108 112 A R H X S+ 0 0 155 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.929 110.7 47.8 -59.5 -48.0 8.0 7.9 9.3 109 113 A E H X S+ 0 0 94 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.916 113.0 49.7 -59.9 -45.9 10.6 5.1 9.9 110 114 A Q H >X S+ 0 0 34 -4,-2.3 4,-0.7 -5,-0.2 3,-0.5 0.911 111.3 47.0 -58.5 -48.0 13.4 7.3 8.8 111 115 A V H >X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.2 3,-1.4 0.918 107.1 59.3 -59.9 -41.1 12.4 10.2 11.0 112 116 A S H 3< S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.749 89.6 70.9 -67.7 -21.1 12.0 7.7 13.9 113 117 A I H << S+ 0 0 108 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.908 119.7 17.7 -53.1 -42.7 15.6 6.7 13.6 114 118 A F H << S+ 0 0 25 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.2 0.613 136.5 38.3-106.7 -16.3 16.5 10.2 15.0 115 119 A F S < S- 0 0 18 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 -0.531 74.1-176.4-140.3 47.3 13.3 11.3 16.6 116 120 A P > - 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0 0 8 113,-1.8 2,-0.1 -2,-0.9 146,-0.0 -0.524 30.0 -99.0-103.5 170.7 34.1 28.4 33.7 131 9 B N > - 0 0 70 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.396 39.3-100.5 -85.4 168.8 34.4 30.7 30.7 132 10 B N H > S+ 0 0 115 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.847 118.5 57.3 -60.3 -37.4 33.0 34.2 30.5 133 11 B N H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.983 109.3 42.3 -51.2 -68.0 30.0 33.2 28.5 134 12 B V H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.925 114.7 53.1 -46.5 -52.6 28.7 30.7 31.1 135 13 B Y H X S+ 0 0 78 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.924 109.2 47.2 -53.1 -53.0 29.6 33.2 33.9 136 14 B E H X S+ 0 0 125 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.951 109.9 53.8 -51.3 -52.8 27.6 36.0 32.3 137 15 B Q H X S+ 0 0 61 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.867 112.7 43.7 -54.4 -40.9 24.6 33.8 31.7 138 16 B I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 3,-0.5 0.973 112.0 48.4 -72.3 -55.9 24.5 32.7 35.3 139 17 B T H X S+ 0 0 41 -4,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.863 111.5 55.5 -53.3 -33.3 25.0 36.1 37.0 140 18 B D H X S+ 0 0 85 -4,-2.8 4,-3.0 -5,-0.3 -1,-0.3 0.907 105.6 50.9 -61.6 -43.4 22.3 37.2 34.5 141 19 B L H X S+ 0 0 14 -4,-1.6 4,-2.6 -3,-0.5 -2,-0.2 0.892 106.3 53.6 -63.4 -41.5 20.0 34.5 35.9 142 20 B V H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.975 111.2 47.0 -56.0 -53.6 20.6 35.5 39.5 143 21 B T H X S+ 0 0 76 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.961 109.5 53.6 -49.6 -58.1 19.6 39.0 38.5 144 22 B I H < S+ 0 0 77 -4,-3.0 4,-0.2 1,-0.2 -1,-0.2 0.891 111.3 47.3 -43.4 -48.9 16.6 37.8 36.6 145 23 B R H ><>S+ 0 0 61 -4,-2.6 3,-4.6 2,-0.2 5,-1.1 0.974 107.6 49.4 -65.3 -61.9 15.4 35.9 39.7 146 24 B K H ><5S+ 0 0 122 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.890 109.5 57.8 -40.7 -42.2 15.8 38.5 42.5 147 25 B Q T 3<5S+ 0 0 155 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.641 101.3 55.7 -66.4 -15.2 13.9 40.6 40.0 148 26 B E T < 5S- 0 0 115 -3,-4.6 -1,-0.3 -4,-0.2 -2,-0.2 0.036 128.3 -97.5-102.8 24.7 11.1 38.0 40.1 149 27 B G T < 5S+ 0 0 58 -3,-1.8 2,-5.9 1,-0.2 -3,-0.2 0.071 84.1 136.9 83.3 -25.2 10.8 38.3 43.9 150 28 B I > < + 0 0 69 -5,-1.1 3,-2.3 1,-0.2 -4,-0.2 -0.092 31.1 178.7 -57.0 56.6 13.1 35.2 44.3 151 29 B E T 3 + 0 0 159 -2,-5.9 -1,-0.2 1,-0.3 2,-0.1 0.778 68.9 53.0 -16.2 -72.0 14.9 37.1 47.1 152 30 B E T 3 S+ 0 0 130 -3,-0.2 -1,-0.3 -7,-0.1 2,-0.1 0.215 74.9 136.5 -72.7 16.6 17.4 34.3 48.0 153 31 B A < + 0 0 7 -3,-2.3 2,-0.3 -2,-0.1 3,-0.1 -0.434 29.0 166.3 -62.9 136.8 18.7 33.9 44.5 154 32 B S > - 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0 0 75 1,-0.1 4,-2.7 -51,-0.1 5,-0.3 -0.366 360.0-143.1 163.6 96.8 33.8 21.2 7.7 411 61 D Q H > S+ 0 0 82 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.912 101.5 42.9 -44.7 -55.6 30.5 23.0 8.6 412 62 D M H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 114.8 47.4 -63.5 -46.6 30.8 25.7 6.0 413 63 D E H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 116.2 47.7 -61.5 -35.9 32.0 23.5 3.2 414 64 D Y H X S+ 0 0 14 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.924 108.1 52.0 -71.5 -50.1 29.2 21.1 4.0 415 65 D N H X S+ 0 0 10 -4,-3.5 4,-2.4 -5,-0.3 -2,-0.2 0.915 110.2 52.7 -50.4 -43.1 26.5 23.8 4.2 416 66 D K H X S+ 0 0 82 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.959 108.6 47.0 -59.5 -53.2 27.7 24.9 0.8 417 67 D L H X S+ 0 0 23 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.889 112.7 50.1 -57.7 -42.5 27.4 21.5 -0.8 418 68 D M H X S+ 0 0 8 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.917 109.0 51.2 -65.1 -41.8 24.0 20.9 0.6 419 69 D L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.898 112.3 47.6 -62.4 -39.1 22.8 24.3 -0.6 420 70 D E H X S+ 0 0 51 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.982 112.8 46.5 -64.2 -56.0 24.0 23.5 -4.1 421 71 D N H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.927 115.9 45.7 -53.0 -47.4 22.5 20.1 -4.2 422 72 D V H X S+ 0 0 8 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.932 113.9 47.9 -63.7 -44.8 19.2 21.3 -2.9 423 73 D S H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.922 113.1 49.5 -61.8 -41.7 19.1 24.3 -5.2 424 74 D R H X S+ 0 0 28 -4,-3.3 4,-2.8 -5,-0.2 -2,-0.2 0.945 110.2 49.8 -59.8 -49.7 20.0 22.0 -8.1 425 75 D V H X S+ 0 0 6 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.906 109.6 52.5 -58.0 -43.9 17.3 19.6 -7.2 426 76 D R H X S+ 0 0 45 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.924 110.0 46.7 -60.3 -45.9 14.8 22.4 -7.0 427 77 D A H X S+ 0 0 12 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.965 113.4 50.1 -58.8 -49.4 15.6 23.7 -10.5 428 78 D M H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.930 110.5 48.3 -56.4 -48.8 15.5 20.2 -11.9 429 79 D C H X S+ 0 0 1 -4,-2.9 4,-3.6 1,-0.2 -1,-0.2 0.877 105.3 58.6 -63.4 -38.8 12.1 19.4 -10.4 430 80 D T H X S+ 0 0 26 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.953 112.0 41.7 -50.5 -50.6 10.6 22.7 -11.6 431 81 D E H X S+ 0 0 32 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.923 114.0 50.3 -66.4 -45.7 11.5 21.6 -15.1 432 82 D I H X S+ 0 0 3 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.925 109.0 54.3 -56.9 -45.7 10.4 18.0 -14.6 433 83 D L H X S+ 0 0 0 -4,-3.6 4,-2.5 1,-0.2 -1,-0.2 0.930 106.6 50.4 -52.0 -51.1 7.1 19.3 -13.3 434 84 D K H X S+ 0 0 66 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.910 112.4 46.7 -59.3 -41.7 6.6 21.4 -16.4 435 85 D M H X S+ 0 0 4 -4,-2.2 4,-0.7 2,-0.2 3,-0.4 0.906 108.5 54.4 -69.6 -38.3 7.2 18.4 -18.7 436 86 D S H >< S+ 0 0 16 -4,-3.0 3,-1.7 1,-0.3 6,-0.3 0.937 104.9 55.3 -58.0 -46.0 5.0 16.1 -16.6 437 87 D V H 3< S+ 0 0 20 -4,-2.5 -1,-0.3 1,-0.3 6,-0.2 0.843 105.0 54.0 -52.3 -35.3 2.2 18.6 -17.0 438 88 D L H 3< S+ 0 0 59 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.610 81.8 112.8 -76.8 -12.4 2.8 18.3 -20.8 439 89 D N S XX S- 0 0 13 -3,-1.7 4,-2.1 -4,-0.7 3,-1.2 -0.431 74.4-128.5 -65.4 130.9 2.4 14.6 -20.8 440 90 D Q H 3> S+ 0 0 134 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.882 107.9 55.2 -45.8 -51.2 -0.8 13.6 -22.6 441 91 D E H 3> S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.833 108.9 49.8 -54.3 -35.6 -2.1 11.4 -19.8 442 92 D S H <>>S+ 0 0 1 -3,-1.2 4,-1.2 -6,-0.3 5,-0.6 0.974 109.2 49.2 -66.9 -56.8 -1.7 14.4 -17.5 443 93 D I H ><5S+ 0 0 107 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.929 110.1 55.0 -43.4 -49.8 -3.6 16.7 -19.8 444 94 D A H 3<5S+ 0 0 84 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.898 100.2 56.9 -55.4 -45.7 -6.3 14.0 -20.0 445 95 D S H 3<5S- 0 0 37 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.774 91.3-146.6 -60.5 -25.5 -6.8 13.8 -16.3 446 96 D G T <<5S+ 0 0 58 -4,-1.2 3,-0.2 -3,-1.1 -1,-0.1 0.621 74.7 99.5 66.6 12.7 -7.7 17.5 -16.1 447 97 D N < + 0 0 116 -5,-0.6 -4,-0.1 1,-0.2 -1,-0.1 0.385 66.8 62.3-108.7 1.6 -6.1 17.5 -12.7 448 98 D F + 0 0 20 -6,-0.4 2,-0.7 -5,-0.1 -1,-0.2 -0.392 57.5 157.6-131.6 56.4 -2.7 18.9 -13.5 449 99 D D >> - 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