==== 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 09-MAY-08 3D3B . COMPND 2 MOLECULE: N UTILIZATION SUBSTANCE PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.LUO,M.C.WAHL . 226 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 72.6 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 . 27 11.9 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 . 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 . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 46.0 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 0 1 1 0 1 0 1 0 1 3 0 0 0 1 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 0 2 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 . 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 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 M 0 0 143 0, 0.0 97,-0.0 0, 0.0 100,-0.0 0.000 360.0 360.0 360.0 168.5 -13.1 5.5 -23.0 2 2 A E - 0 0 43 1,-0.0 5,-0.1 100,-0.0 96,-0.0 0.592 360.0-153.5-150.1 162.2 -11.6 3.0 -22.9 3 3 A P >> - 0 0 73 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.294 37.1-122.5 -61.7 144.3 -11.1 -0.5 -24.3 4 4 A A H 3> S+ 0 0 58 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.853 111.9 60.4 -53.3 -37.3 -9.6 -3.2 -21.9 5 5 A A H 3> S+ 0 0 36 1,-0.2 39,-2.4 2,-0.2 4,-1.8 0.836 104.4 47.9 -62.8 -33.4 -6.7 -3.7 -24.3 6 6 A R H <> S+ 0 0 44 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.881 109.7 52.4 -74.9 -40.6 -5.7 -0.0 -24.0 7 7 A R H X S+ 0 0 84 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.938 111.2 47.7 -54.9 -47.2 -5.9 -0.3 -20.2 8 8 A R H X S+ 0 0 46 -4,-2.6 4,-2.8 34,-0.3 -2,-0.2 0.872 107.9 56.0 -64.3 -38.8 -3.7 -3.4 -20.4 9 9 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.915 107.8 47.9 -59.0 -42.4 -1.2 -1.5 -22.6 10 10 A R H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.918 110.8 51.8 -68.3 -40.9 -0.9 1.3 -20.1 11 11 A E H X S+ 0 0 43 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.964 111.9 46.0 -53.1 -53.6 -0.3 -1.4 -17.3 12 12 A C H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.887 108.7 57.2 -60.7 -37.4 2.4 -3.0 -19.4 13 13 A A H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.881 102.9 53.2 -63.7 -38.8 3.9 0.4 -20.1 14 14 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.939 112.2 46.0 -57.7 -46.5 4.3 1.1 -16.4 15 15 A Q H X S+ 0 0 20 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.929 116.2 44.0 -61.9 -45.9 6.2 -2.2 -16.1 16 16 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.871 112.9 50.8 -69.7 -37.7 8.4 -1.5 -19.1 17 17 A L H X S+ 0 0 3 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.921 109.3 51.6 -64.0 -44.8 9.0 2.1 -18.2 18 18 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 5,-0.3 0.939 108.9 52.5 -53.3 -47.8 10.1 0.9 -14.7 19 19 A S H X S+ 0 0 5 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.936 110.8 46.1 -51.4 -50.7 12.4 -1.5 -16.5 20 20 A W H X S+ 0 0 50 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.887 109.9 53.4 -64.4 -42.6 13.9 1.2 -18.5 21 21 A Q H < S+ 0 0 27 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.895 118.9 35.8 -57.0 -43.7 14.3 3.5 -15.4 22 22 A L H < S+ 0 0 9 -4,-2.4 -2,-0.2 162,-0.2 -1,-0.2 0.883 124.0 38.2 -81.2 -41.1 16.2 0.8 -13.6 23 23 A S H < S- 0 0 0 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.803 81.1-149.5 -81.8 -33.8 18.2 -0.9 -16.4 24 24 A Q < + 0 0 136 -4,-2.3 -4,-0.1 -5,-0.3 -3,-0.1 0.601 44.5 152.7 67.0 12.9 19.1 2.2 -18.4 25 25 A N - 0 0 25 -6,-0.3 -1,-0.2 1,-0.1 2,-0.1 -0.263 61.1 -79.9 -62.5 157.6 19.0 -0.2 -21.4 26 26 A D >> - 0 0 96 1,-0.1 4,-2.3 -3,-0.1 3,-0.6 -0.417 39.1-126.1 -55.8 134.0 18.1 1.5 -24.8 27 27 A I H 3> S+ 0 0 36 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.812 110.7 58.9 -57.5 -31.8 14.4 2.0 -24.9 28 28 A A H 3> S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.911 108.6 45.2 -65.2 -37.9 14.3 0.2 -28.3 29 29 A D H <> S+ 0 0 77 -3,-0.6 4,-3.1 2,-0.2 5,-0.3 0.899 110.6 53.5 -71.0 -37.8 15.8 -2.9 -26.5 30 30 A V H X S+ 0 0 5 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.941 110.5 47.4 -59.9 -47.1 13.4 -2.5 -23.6 31 31 A E H X S+ 0 0 41 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.955 115.6 44.8 -59.2 -51.5 10.4 -2.5 -26.1 32 32 A Y H X S+ 0 0 164 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.942 117.4 43.3 -57.4 -51.0 11.8 -5.6 -27.9 33 33 A Q H X S+ 0 0 23 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.904 113.2 50.5 -68.5 -41.1 12.7 -7.6 -24.8 34 34 A F H >X S+ 0 0 10 -4,-2.9 4,-2.3 -5,-0.3 3,-0.6 0.952 114.0 44.9 -61.9 -48.5 9.5 -6.8 -22.9 35 35 A L H 3< S+ 0 0 27 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.791 112.9 51.6 -69.8 -23.5 7.3 -7.8 -25.9 36 36 A A H 3< S+ 0 0 69 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.748 121.9 29.7 -80.1 -24.3 9.3 -11.0 -26.5 37 37 A E H << S+ 0 0 86 -4,-1.4 2,-0.3 -3,-0.6 -2,-0.2 0.574 105.2 75.4-116.8 -15.0 9.1 -12.2 -22.9 38 38 A Q S < S- 0 0 66 -4,-2.3 2,-0.9 -5,-0.2 -26,-0.0 -0.748 83.6-109.3-103.5 149.5 5.8 -10.9 -21.4 39 39 A D + 0 0 100 -2,-0.3 3,-0.2 1,-0.1 -3,-0.1 -0.649 48.2 157.5 -77.4 107.8 2.3 -12.2 -22.1 40 40 A V > + 0 0 29 -2,-0.9 3,-1.8 -5,-0.2 -1,-0.1 0.062 28.2 120.8-119.9 23.6 0.7 -9.4 -24.2 41 41 A K T 3 S+ 0 0 169 1,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.736 82.7 43.1 -63.7 -21.2 -2.0 -11.4 -25.9 42 42 A D T 3 S+ 0 0 79 -3,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.050 98.6 102.9-106.8 20.0 -4.7 -9.1 -24.3 43 43 A V S < S- 0 0 16 -3,-1.8 2,-1.4 -35,-0.1 -37,-0.2 -0.838 76.2-125.7-111.4 143.2 -2.8 -5.8 -24.9 44 44 A D > - 0 0 45 -39,-2.4 4,-2.2 -2,-0.3 5,-0.1 -0.723 36.8-174.0 -77.5 90.2 -3.2 -3.0 -27.5 45 45 A V H > S+ 0 0 36 -2,-1.4 4,-2.8 1,-0.2 5,-0.2 0.864 74.7 57.4 -67.5 -34.3 0.5 -3.5 -28.5 46 46 A L H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.950 108.4 47.2 -60.0 -45.6 0.6 -0.5 -30.8 47 47 A Y H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.912 110.8 52.6 -62.0 -42.8 -0.5 1.8 -28.0 48 48 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.944 111.1 46.6 -55.3 -48.2 2.1 0.2 -25.7 49 49 A R H X S+ 0 0 97 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.917 112.4 49.7 -62.1 -41.6 4.8 0.8 -28.3 50 50 A E H X S+ 0 0 80 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.894 109.7 52.5 -68.7 -36.0 3.7 4.4 -28.8 51 51 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.903 110.3 46.4 -63.9 -47.9 3.7 5.1 -25.0 52 52 A L H X S+ 0 0 5 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.962 115.6 45.5 -59.4 -50.2 7.2 3.9 -24.4 53 53 A A H X S+ 0 0 50 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.920 115.0 47.7 -63.3 -38.9 8.6 5.8 -27.3 54 54 A G H X S+ 0 0 5 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.914 114.1 44.3 -69.1 -46.8 6.7 8.9 -26.4 55 55 A V H >< S+ 0 0 2 -4,-2.8 3,-1.1 1,-0.2 4,-0.2 0.940 114.1 51.8 -63.4 -43.3 7.6 8.9 -22.7 56 56 A A H >< S+ 0 0 19 -4,-2.8 3,-0.7 -5,-0.3 -2,-0.2 0.887 111.8 45.4 -60.3 -39.7 11.2 8.1 -23.6 57 57 A T H 3< S+ 0 0 113 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.472 120.7 39.7 -85.7 -0.6 11.5 10.9 -26.1 58 58 A N T S+ 0 0 35 -3,-0.7 4,-2.7 -4,-0.2 5,-0.2 0.845 75.9 49.4 -63.9 -37.1 11.3 12.6 -20.4 60 60 A A H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.943 114.4 47.1 -64.4 -44.4 13.0 15.9 -19.7 61 61 A Y H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.927 114.7 45.9 -60.1 -47.4 9.8 17.7 -20.5 62 62 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.911 113.2 47.8 -66.5 -43.0 7.7 15.3 -18.4 63 63 A D H X S+ 0 0 54 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.851 109.5 56.3 -66.7 -33.5 10.1 15.4 -15.4 64 64 A G H < S+ 0 0 45 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.889 107.8 47.1 -60.4 -44.2 10.0 19.2 -15.8 65 65 A L H < S+ 0 0 50 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.886 116.2 45.9 -62.9 -40.3 6.2 19.3 -15.5 66 66 A M H >< S+ 0 0 3 -4,-2.0 3,-1.4 1,-0.2 4,-0.4 0.841 92.0 81.9 -72.9 -34.3 6.4 17.0 -12.5 67 67 A K G >< S+ 0 0 156 -4,-2.2 3,-2.1 1,-0.3 4,-0.3 0.789 84.6 55.0 -48.9 -50.0 9.2 18.7 -10.6 68 68 A P G > S+ 0 0 80 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.836 105.3 54.4 -56.2 -33.4 7.3 21.5 -8.8 69 69 A Y G < S+ 0 0 71 -3,-1.4 3,-0.2 -4,-0.3 -2,-0.2 0.523 104.6 55.8 -77.8 -5.1 4.8 19.0 -7.2 70 70 A L G X S+ 0 0 41 -3,-2.1 3,-1.4 -4,-0.4 -1,-0.2 0.358 74.6 104.6-105.2 2.5 7.8 17.1 -5.7 71 71 A S T < S+ 0 0 103 -3,-1.1 -1,-0.1 -4,-0.3 -2,-0.1 0.724 79.7 48.1 -61.4 -27.7 9.2 20.1 -3.9 72 72 A R T 3 S+ 0 0 233 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.570 82.7 115.3 -89.5 -12.4 8.0 19.0 -0.4 73 73 A L < - 0 0 69 -3,-1.4 4,-0.1 1,-0.2 -3,-0.0 -0.364 47.1-164.5 -66.4 132.7 9.2 15.3 -0.6 74 74 A L S S+ 0 0 183 2,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.651 78.4 47.4 -82.4 -22.0 11.9 14.4 1.9 75 75 A E S S- 0 0 104 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.840 100.9 -88.9-118.7 154.7 12.7 11.2 -0.1 76 76 A E - 0 0 148 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.344 56.9 -92.7 -56.6 140.7 13.2 10.6 -3.8 77 77 A L - 0 0 24 1,-0.1 -1,-0.1 -4,-0.1 5,-0.0 -0.308 50.2-102.9 -53.4 133.5 10.1 9.9 -5.7 78 78 A G > - 0 0 11 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.248 23.9-121.3 -59.1 150.3 9.4 6.1 -5.9 79 79 A Q H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.906 111.7 48.0 -65.0 -41.2 10.3 4.4 -9.2 80 80 A V H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.941 112.8 48.9 -64.2 -45.0 6.7 3.1 -9.8 81 81 A E H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 109.3 52.8 -62.3 -37.8 5.2 6.5 -9.0 82 82 A K H X S+ 0 0 47 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.910 111.5 46.3 -62.9 -45.1 7.7 8.2 -11.4 83 83 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.935 113.6 48.4 -63.3 -45.9 6.6 5.8 -14.2 84 84 A V H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.933 114.3 45.4 -61.7 -45.7 2.9 6.2 -13.5 85 85 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.891 110.5 54.0 -69.9 -37.0 3.2 10.0 -13.4 86 86 A R H X S+ 0 0 22 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.942 112.6 44.1 -57.5 -47.4 5.4 10.1 -16.6 87 87 A I H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.933 114.3 48.9 -64.2 -45.0 2.7 8.1 -18.4 88 88 A A H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.930 114.1 45.1 -62.9 -45.8 -0.2 10.2 -17.0 89 89 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.891 113.1 51.9 -65.6 -37.5 1.5 13.5 -17.9 90 90 A Y H X>S+ 0 0 24 -4,-2.4 4,-3.2 -5,-0.3 5,-0.6 0.938 111.6 46.0 -62.7 -48.5 2.4 12.2 -21.3 91 91 A E H X5S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 7,-0.3 0.924 113.0 49.6 -63.6 -42.4 -1.1 11.1 -22.1 92 92 A L H <5S+ 0 0 3 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.906 120.5 36.9 -61.4 -39.8 -2.5 14.4 -20.8 93 93 A S H <5S+ 0 0 30 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.854 135.8 12.4 -79.4 -38.4 -0.1 16.3 -23.0 94 94 A K H <5S+ 0 0 106 -4,-3.2 2,-0.4 -5,-0.2 -3,-0.2 0.578 114.5 63.6-123.2 -19.8 0.2 14.2 -26.2 95 95 A R ><< + 0 0 34 -4,-1.6 3,-2.5 -5,-0.6 -1,-0.1 -0.562 45.7 157.7-116.4 66.5 -2.6 11.6 -26.2 96 96 A S T 3 + 0 0 91 -2,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.489 66.4 78.7 -70.2 -2.6 -5.7 13.6 -26.4 97 97 A D T 3 S+ 0 0 78 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.576 83.1 76.3 -69.1 -16.3 -7.3 10.5 -27.9 98 98 A V S < S- 0 0 1 -3,-2.5 -3,-0.1 -7,-0.3 5,-0.1 -0.885 99.0-115.0 -95.1 121.3 -7.4 9.3 -24.2 99 99 A P > - 0 0 36 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.279 21.1-117.6 -57.1 143.7 -10.2 11.1 -22.4 100 100 A Y H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.892 113.4 46.3 -45.7 -53.4 -9.0 13.5 -19.6 101 101 A K H > S+ 0 0 171 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.825 110.2 54.0 -66.6 -31.4 -10.8 11.5 -16.8 102 102 A V H > S+ 0 0 21 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.929 106.1 51.2 -66.6 -47.1 -9.5 8.2 -18.1 103 103 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.921 116.9 41.5 -56.7 -42.8 -5.9 9.3 -18.0 104 104 A I H X S+ 0 0 26 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.955 116.3 46.4 -71.5 -51.9 -6.3 10.5 -14.5 105 105 A N H X S+ 0 0 77 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.888 112.3 49.8 -61.3 -39.5 -8.3 7.6 -13.2 106 106 A E H X S+ 0 0 37 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.876 107.9 54.3 -71.0 -34.0 -6.1 4.9 -14.7 107 107 A A H X S+ 0 0 2 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.934 109.2 48.6 -60.0 -43.9 -3.0 6.6 -13.2 108 108 A I H X S+ 0 0 21 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.942 111.8 49.6 -63.6 -42.6 -4.6 6.4 -9.8 109 109 A E H X S+ 0 0 74 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.888 109.7 50.8 -64.7 -39.8 -5.5 2.7 -10.3 110 110 A L H X S+ 0 0 8 -4,-2.5 4,-2.8 2,-0.2 5,-0.4 0.914 110.1 49.3 -64.6 -40.3 -2.0 1.9 -11.5 111 111 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 9,-0.2 0.896 110.6 51.3 -63.7 -39.5 -0.5 3.5 -8.4 112 112 A K H < S+ 0 0 107 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.859 116.2 41.5 -61.2 -40.4 -3.0 1.5 -6.3 113 113 A S H < S+ 0 0 45 -4,-2.1 76,-2.5 -5,-0.1 -2,-0.2 0.915 134.3 13.4 -74.6 -46.9 -1.9 -1.7 -8.0 114 114 A F H < S+ 0 0 8 -4,-2.8 -3,-0.2 74,-0.2 -2,-0.2 0.583 107.1 90.6-107.0 -19.2 1.9 -1.2 -8.2 115 115 A G S < S- 0 0 8 -4,-2.2 3,-0.1 -5,-0.4 74,-0.1 -0.098 76.5 -83.1 -90.1 178.5 2.7 1.7 -5.9 116 116 A A > - 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