==== 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 SIGNALING PROTEIN 18-JUL-07 2QNL . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CYTOPHAGA HUTCHINSONII ATCC 33406; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 77.2 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 . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 54.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 2 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A G > 0 0 72 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-115.9 50.1 26.8 6.9 2 1 A X H > + 0 0 150 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.881 360.0 46.8 -75.7 -36.3 47.9 28.0 9.7 3 2 A H H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 115.5 48.7 -67.8 -43.4 45.5 30.3 7.8 4 3 A T H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.920 109.8 51.7 -62.9 -41.2 45.2 27.6 5.2 5 4 A Q H X S+ 0 0 120 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.913 107.1 52.3 -65.6 -39.2 44.5 24.9 7.9 6 5 A E H X S+ 0 0 60 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.920 109.2 50.7 -60.4 -43.8 41.8 27.1 9.4 7 6 A A H X S+ 0 0 38 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.873 107.7 54.6 -62.6 -38.5 40.2 27.3 5.9 8 7 A L H X S+ 0 0 82 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.852 107.6 47.5 -67.4 -36.1 40.3 23.5 5.5 9 8 A F H X S+ 0 0 99 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.867 110.0 52.5 -79.6 -28.7 38.5 22.8 8.7 10 9 A V H X S+ 0 0 10 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.942 109.5 52.0 -61.8 -43.1 35.8 25.4 7.8 11 10 A R H X S+ 0 0 153 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.937 108.6 49.5 -57.4 -50.8 35.5 23.5 4.5 12 11 A L H X S+ 0 0 116 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.943 114.7 43.6 -54.3 -46.2 35.0 20.2 6.3 13 12 A A H X S+ 0 0 9 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.924 117.3 45.4 -69.0 -42.9 32.3 21.5 8.6 14 13 A L H X S+ 0 0 18 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.885 108.2 56.5 -68.7 -37.9 30.5 23.4 5.8 15 14 A D H X S+ 0 0 80 -4,-3.2 4,-2.4 -5,-0.3 -1,-0.2 0.915 108.5 48.5 -59.4 -41.2 30.7 20.4 3.4 16 15 A A H X S+ 0 0 43 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.921 112.1 48.8 -66.0 -42.5 28.9 18.3 6.1 17 16 A W H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.932 113.5 47.3 -57.6 -48.2 26.2 21.0 6.6 18 17 A N H X S+ 0 0 70 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.877 110.3 51.9 -65.6 -35.7 25.8 21.2 2.8 19 18 A T H X S+ 0 0 60 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.935 114.2 42.5 -66.7 -47.0 25.6 17.4 2.4 20 19 A Q H X S+ 0 0 36 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.903 114.4 51.7 -66.6 -38.2 22.9 17.1 5.1 21 20 A S H X S+ 0 0 10 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.910 109.7 49.5 -63.6 -42.8 21.1 20.1 3.7 22 21 A S H X S+ 0 0 45 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.932 113.0 46.4 -61.3 -48.3 21.1 18.7 0.2 23 22 A R H X S+ 0 0 146 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.918 115.5 46.1 -62.2 -42.7 19.7 15.4 1.4 24 23 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.960 114.3 47.1 -64.7 -49.2 17.1 17.1 3.5 25 24 A D H X S+ 0 0 36 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.912 113.7 47.8 -59.4 -43.7 16.0 19.5 0.7 26 25 A K H X S+ 0 0 127 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.880 111.4 50.6 -69.3 -36.9 15.9 16.7 -1.9 27 26 A L H >X S+ 0 0 19 -4,-2.0 3,-0.6 -5,-0.2 4,-0.6 0.965 112.1 46.7 -61.9 -51.6 13.9 14.5 0.4 28 27 A I H >< S+ 0 0 3 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.927 111.3 51.8 -57.6 -46.0 11.3 17.3 1.1 29 28 A Q H 3< S+ 0 0 135 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.791 105.8 56.8 -61.0 -29.7 11.1 18.1 -2.6 30 29 A S H << S+ 0 0 83 -4,-1.3 2,-0.4 -3,-0.6 -1,-0.3 0.559 94.2 81.3 -78.0 -14.9 10.4 14.5 -3.4 31 30 A L S << S- 0 0 15 -3,-1.5 130,-0.1 -4,-0.6 2,-0.0 -0.798 74.7-131.5 -98.6 136.8 7.3 14.2 -1.1 32 31 A S > - 0 0 69 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.294 32.9-105.9 -69.6 165.0 3.8 15.4 -1.9 33 32 A N H > S+ 0 0 59 2,-0.2 4,-1.6 1,-0.2 15,-0.1 0.902 123.9 51.3 -59.0 -42.0 2.0 17.5 0.6 34 33 A E H > S+ 0 0 99 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.914 111.3 48.0 -60.1 -42.9 -0.2 14.6 1.5 35 34 A A H >4 S+ 0 0 27 1,-0.2 3,-0.6 2,-0.2 12,-0.2 0.858 110.5 51.3 -68.9 -35.1 3.0 12.4 2.0 36 35 A L H 3< S+ 0 0 0 -4,-2.3 12,-1.3 1,-0.2 11,-1.1 0.801 102.5 61.0 -69.1 -30.6 4.7 15.0 4.1 37 36 A A H 3< S+ 0 0 51 -4,-1.6 -1,-0.2 10,-0.2 -2,-0.2 0.657 84.0 99.6 -73.3 -18.1 1.7 15.4 6.4 38 37 A V S << S- 0 0 63 -3,-0.6 9,-1.7 -4,-0.6 10,-0.2 -0.292 87.5 -97.5 -66.0 147.5 1.8 11.7 7.5 39 38 A E B -A 46 0A 86 7,-0.2 7,-0.3 1,-0.1 6,-0.2 -0.473 25.7-130.8 -61.4 138.8 3.4 10.8 10.9 40 39 A T S S- 0 0 12 5,-2.8 -1,-0.1 1,-0.2 6,-0.1 0.819 90.7 -10.4 -63.9 -28.1 7.0 9.7 10.4 41 40 A A S > S- 0 0 35 4,-0.2 3,-2.8 3,-0.1 -1,-0.2 -0.949 106.6 -57.2-161.1 160.4 6.1 6.7 12.6 42 41 A P T 3 S- 0 0 120 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.213 124.1 -1.1 -52.5 121.5 3.1 5.8 14.7 43 42 A G T 3 S+ 0 0 65 1,-0.3 2,-0.2 0, 0.0 3,-0.1 0.525 111.9 113.7 78.9 4.9 2.5 8.5 17.3 44 43 A R S < S- 0 0 173 -3,-2.8 -1,-0.3 1,-0.2 -4,-0.1 -0.534 75.1 -63.8-106.0 173.1 5.5 10.5 16.1 45 44 A N - 0 0 54 -6,-0.2 -5,-2.8 -2,-0.2 -4,-0.2 -0.152 50.1-121.3 -57.2 142.6 6.1 13.8 14.5 46 45 A S B > -A 39 0A 9 -7,-0.3 4,-2.2 -6,-0.1 -7,-0.2 -0.352 22.8-112.9 -73.2 160.1 4.7 14.5 11.0 47 46 A G H > S+ 0 0 0 -9,-1.7 4,-2.7 -11,-1.1 -10,-0.2 0.885 119.0 58.1 -57.7 -41.6 6.9 15.5 8.1 48 47 A T H > S+ 0 0 10 -12,-1.3 4,-2.4 1,-0.2 5,-0.2 0.934 106.9 46.7 -55.4 -47.1 5.2 18.9 8.2 49 48 A Y H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.922 112.3 49.2 -63.1 -46.0 6.2 19.4 11.8 50 49 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.879 109.4 52.7 -63.4 -37.8 9.8 18.4 11.2 51 50 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.950 113.5 43.1 -58.0 -50.0 10.0 20.7 8.2 52 51 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.886 114.2 51.9 -62.9 -41.8 8.8 23.6 10.3 53 52 A H H X S+ 0 0 30 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.951 111.6 44.7 -59.1 -53.0 11.1 22.6 13.1 54 53 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.912 114.5 51.0 -59.2 -41.3 14.2 22.4 11.0 55 54 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.954 113.1 43.7 -62.5 -49.0 13.3 25.7 9.3 56 55 A A H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.892 114.1 50.0 -62.8 -42.2 12.8 27.5 12.7 57 56 A V H X S+ 0 0 17 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.928 114.2 45.2 -64.7 -43.4 16.0 26.0 14.2 58 57 A H H >X S+ 0 0 0 -4,-2.6 3,-1.3 -5,-0.2 4,-0.5 0.920 110.2 54.0 -68.3 -39.8 18.0 27.0 11.1 59 58 A D H >< S+ 0 0 3 -4,-2.8 3,-1.7 -5,-0.3 -1,-0.2 0.921 102.5 58.7 -59.6 -40.7 16.5 30.5 11.1 60 59 A A H 3X S+ 0 0 43 -4,-2.2 4,-1.3 1,-0.3 -1,-0.3 0.675 92.0 70.2 -62.9 -19.1 17.5 30.9 14.7 61 60 A X H S+ 0 0 2 -3,-1.7 5,-3.1 -4,-0.5 6,-0.4 0.975 106.2 30.7 -57.6 -59.2 21.1 33.7 12.0 63 62 A P H >45S+ 0 0 51 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.853 116.6 59.6 -68.5 -33.3 21.2 35.8 15.1 64 63 A L H 3<5S+ 0 0 29 -4,-1.3 60,-2.9 1,-0.3 61,-0.3 0.859 112.1 40.0 -60.4 -34.6 23.2 33.2 17.1 65 64 A L T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -3,-0.3 -3,-0.1 0.291 117.0-113.2 -96.5 9.8 26.0 33.5 14.5 66 65 A E T < 5S+ 0 0 120 -3,-1.3 -4,-0.1 2,-0.2 -2,-0.1 0.908 80.7 126.2 56.7 45.1 25.7 37.3 14.2 67 66 A L S + 0 0 61 1,-0.1 3,-2.2 -17,-0.1 4,-0.4 -0.575 62.5 166.9-130.8 65.0 10.3 34.1 10.3 73 72 A P T > S+ 0 0 73 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.793 72.4 70.1 -54.6 -28.9 10.1 34.5 14.2 74 73 A Q T 3> S+ 0 0 121 1,-0.3 4,-0.7 2,-0.2 -18,-0.0 0.643 86.7 67.2 -68.7 -14.3 6.5 33.3 14.2 75 74 A L H <> S+ 0 0 8 -3,-2.2 4,-2.7 1,-0.2 5,-0.3 0.783 86.8 69.7 -69.3 -28.6 7.6 29.8 13.3 76 75 A A H <>>S+ 0 0 27 -3,-1.6 5,-2.6 -4,-0.4 4,-2.3 0.919 95.8 48.9 -64.2 -42.9 9.4 29.3 16.7 77 76 A P H 4>S+ 0 0 46 0, 0.0 5,-0.5 0, 0.0 -1,-0.2 0.913 119.3 40.0 -59.9 -37.2 6.3 29.1 18.9 78 77 A V H <5S+ 0 0 22 -4,-0.7 -2,-0.2 3,-0.2 8,-0.2 0.869 129.2 25.6 -76.9 -40.3 4.6 26.5 16.6 79 78 A F H <5S+ 0 0 0 -4,-2.7 -3,-0.2 -27,-0.2 -1,-0.1 0.491 133.5 23.4-113.8 -4.1 7.6 24.4 15.7 80 79 A I T <5S+ 0 0 70 -4,-2.3 -4,-0.1 -5,-0.3 -2,-0.1 0.625 124.1 40.4-120.3 -51.9 10.1 24.7 18.6 81 80 A Q T - 0 0 81 0, 0.0 3,-1.5 0, 0.0 4,-0.1 -0.185 35.7 -96.3 -77.6 174.5 4.9 19.9 20.0 84 83 A D G > S+ 0 0 18 1,-0.3 3,-0.5 2,-0.1 4,-0.1 0.876 120.5 47.3 -58.4 -45.1 3.3 18.7 16.8 85 84 A K G 3 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.1 -40,-0.0 0.124 76.1 118.4 -93.0 30.1 -0.2 17.8 18.2 86 85 A S G < S- 0 0 41 -3,-1.5 -1,-0.2 -8,-0.2 -2,-0.1 0.677 78.3-124.3 -64.3 -23.0 -0.5 21.1 20.1 87 86 A G < + 0 0 78 -3,-0.5 2,-0.2 1,-0.3 -1,-0.1 0.394 64.6 139.2 84.6 -1.1 -3.6 22.2 18.2 88 87 A L - 0 0 77 -10,-0.1 -1,-0.3 1,-0.1 2,-0.1 -0.528 62.2-102.2 -74.2 141.2 -1.8 25.5 17.2 89 88 A E - 0 0 178 -2,-0.2 -1,-0.1 -3,-0.1 -11,-0.0 -0.396 37.2-153.3 -68.3 134.8 -2.4 26.5 13.6 90 89 A K - 0 0 59 -2,-0.1 3,-0.1 1,-0.1 -1,-0.0 -0.754 22.0-100.9-100.9 156.5 0.4 25.8 11.1 91 90 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -39,-0.1 -0.293 53.8 -84.1 -61.8 158.9 1.2 27.6 7.9 92 91 A E >> - 0 0 148 1,-0.1 4,-2.1 2,-0.0 3,-0.6 -0.364 43.6-113.9 -58.4 148.4 0.1 26.0 4.7 93 92 A I H 3> S+ 0 0 28 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.885 114.6 53.6 -60.8 -39.9 2.6 23.4 3.6 94 93 A N H 3> S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.847 107.3 52.4 -67.8 -28.5 3.7 25.2 0.5 95 94 A D H <> S+ 0 0 73 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.925 109.4 49.7 -67.6 -43.9 4.4 28.3 2.6 96 95 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.896 107.0 55.0 -58.2 -42.6 6.6 26.1 4.9 97 96 A R H X S+ 0 0 43 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.905 111.0 45.5 -57.3 -42.9 8.4 24.7 1.8 98 97 A L H X S+ 0 0 91 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.918 110.5 52.1 -66.3 -45.4 9.2 28.3 0.8 99 98 A Y H X S+ 0 0 61 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.920 110.0 50.5 -57.7 -45.7 10.3 29.4 4.3 100 99 A W H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.953 112.1 47.1 -52.4 -49.6 12.6 26.4 4.4 101 100 A S H X S+ 0 0 34 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.855 113.8 46.5 -64.0 -39.0 14.1 27.3 1.0 102 101 A L H X S+ 0 0 62 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.874 112.9 48.4 -76.3 -38.8 14.6 31.0 1.9 103 102 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.945 113.4 48.2 -62.3 -49.3 16.2 30.3 5.3 104 103 A Q H X S+ 0 0 24 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.910 113.4 47.7 -57.7 -43.6 18.6 27.8 3.8 105 104 A E H X S+ 0 0 126 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.895 110.7 50.7 -68.3 -37.2 19.5 30.2 1.0 106 105 A R H X S+ 0 0 102 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.928 111.6 48.0 -66.1 -44.7 20.1 33.1 3.4 107 106 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.935 111.7 49.7 -59.7 -46.7 22.3 30.9 5.5 108 107 A A H X S+ 0 0 34 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.933 111.6 49.6 -57.6 -48.2 24.2 29.7 2.4 109 108 A N H X S+ 0 0 76 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.953 115.7 42.1 -52.2 -53.9 24.6 33.4 1.3 110 109 A Q H >X S+ 0 0 32 -4,-2.6 4,-0.8 1,-0.2 3,-0.7 0.893 114.4 49.9 -65.2 -46.4 25.9 34.4 4.7 111 110 A F H >< S+ 0 0 4 -4,-3.2 3,-1.0 1,-0.2 -1,-0.2 0.903 105.6 57.6 -57.8 -43.8 28.2 31.4 5.2 112 111 A N H 3< S+ 0 0 120 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.712 108.5 47.5 -67.2 -18.4 29.8 31.8 1.8 113 112 A Q H << S+ 0 0 124 -4,-0.8 2,-0.3 -3,-0.7 -1,-0.2 0.541 90.5 97.2 -95.9 -10.1 30.8 35.4 2.8 114 113 A L S << S- 0 0 30 -3,-1.0 -3,-0.0 -4,-0.8 3,-0.0 -0.605 72.0-127.7 -77.8 140.6 32.3 34.6 6.2 115 114 A Q >> - 0 0 110 -2,-0.3 3,-1.5 1,-0.1 4,-1.0 -0.559 24.3-110.8 -88.4 150.9 36.0 34.1 6.5 116 115 A P G >4 S+ 0 0 16 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.880 117.9 57.7 -47.2 -42.4 37.4 31.1 8.1 117 116 A A G >4 S+ 0 0 48 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.827 96.0 62.1 -54.8 -39.7 38.6 33.2 11.0 118 117 A D G X4 S+ 0 0 57 -3,-1.5 3,-1.3 1,-0.3 21,-0.3 0.791 94.4 64.5 -61.4 -29.2 35.1 34.5 11.8 119 118 A W G << S+ 0 0 1 -3,-1.2 21,-2.2 -4,-1.0 20,-0.4 0.715 96.1 58.0 -67.0 -19.4 33.9 31.0 12.5 120 119 A F G < S+ 0 0 56 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.427 86.8 96.0 -94.9 1.3 36.4 30.8 15.4 121 120 A N S < S- 0 0 88 -3,-1.3 18,-2.3 -4,-0.2 19,-0.2 -0.434 89.0 -84.8 -82.3 164.8 34.8 33.8 17.2 122 121 A K B -B 138 0B 47 16,-0.2 16,-0.2 -2,-0.1 -1,-0.1 -0.263 39.6-119.9 -68.8 154.8 32.3 33.2 19.9 123 122 A H > - 0 0 21 14,-0.9 3,-1.2 4,-0.1 -58,-0.2 -0.396 33.9 -99.6 -84.3 172.3 28.6 32.8 19.1 124 123 A A T 3 S+ 0 0 52 -60,-2.9 -59,-0.1 1,-0.2 -60,-0.1 0.616 113.5 63.2 -73.0 -13.0 26.0 35.2 20.5 125 124 A A T 3 S+ 0 0 73 -61,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.292 92.3 69.5-100.1 9.9 24.9 33.0 23.4 126 125 A I S < S- 0 0 7 -3,-1.2 2,-0.1 11,-0.1 -4,-0.0 -0.960 80.0-119.6-126.9 143.1 28.2 32.9 25.4 127 126 A S > - 0 0 52 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.444 22.0-119.4 -74.5 155.7 29.9 35.7 27.3 128 127 A R H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.927 117.8 55.0 -54.7 -47.3 33.4 36.9 26.3 129 128 A E H > S+ 0 0 67 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.917 111.9 40.9 -53.4 -46.7 34.4 35.9 29.9 130 129 A D H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.773 107.8 61.5 -75.8 -30.4 33.1 32.3 29.4 131 130 A F H < S+ 0 0 38 -4,-2.2 -1,-0.2 1,-0.2 6,-0.2 0.846 95.5 62.5 -63.3 -35.0 34.5 32.0 25.9 132 131 A L H < S+ 0 0 145 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.895 108.6 41.6 -56.7 -40.9 38.0 32.6 27.2 133 132 A K H < S+ 0 0 150 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.879 130.7 26.3 -72.8 -36.3 37.7 29.3 29.3 134 133 A E >< + 0 0 71 -4,-1.8 3,-2.2 1,-0.1 -1,-0.3 -0.623 64.6 165.1-130.7 71.8 36.1 27.4 26.5 135 134 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.531 71.4 75.6 -69.2 -8.0 37.0 28.9 23.1 136 135 A H T 3 S+ 0 0 118 1,-0.2 2,-2.1 -3,-0.1 5,-0.2 0.609 72.8 88.6 -72.2 -11.1 35.7 25.8 21.4 137 136 A R S < S+ 0 0 77 -3,-2.2 -14,-0.9 -6,-0.2 -1,-0.2 -0.445 71.5 129.1 -86.2 63.3 32.2 27.3 22.1 138 137 A N B > S-B 122 0B 15 -2,-2.1 4,-1.2 -16,-0.2 -16,-0.2 -0.419 78.8 -87.0-113.0-177.4 32.5 29.1 18.8 139 138 A K H > S+ 0 0 12 -18,-2.3 4,-1.9 -20,-0.4 3,-0.4 0.920 124.1 56.2 -63.1 -36.5 30.4 29.7 15.7 140 139 A L H > S+ 0 0 2 -21,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.871 100.5 59.2 -62.5 -35.9 31.7 26.5 14.0 141 140 A S H > S+ 0 0 40 -22,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.877 104.8 50.7 -64.8 -33.5 30.6 24.5 17.1 142 141 A V H X S+ 0 0 8 -4,-1.2 4,-2.8 -3,-0.4 5,-0.3 0.928 109.5 49.9 -66.1 -47.1 27.0 25.7 16.3 143 142 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.935 113.1 46.8 -54.9 -48.2 27.3 24.7 12.7 144 143 A I H X S+ 0 0 66 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.934 113.4 48.2 -60.8 -47.4 28.6 21.2 13.7 145 144 A N H X S+ 0 0 91 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.929 112.4 47.1 -61.1 -47.0 25.9 20.8 16.3 146 145 A R H X S+ 0 0 59 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.810 105.4 60.5 -71.8 -23.6 23.0 21.8 14.0 147 146 A T H X S+ 0 0 10 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.935 108.2 44.6 -65.2 -42.2 24.4 19.6 11.2 148 147 A N H X S+ 0 0 108 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.827 109.8 55.5 -70.9 -33.5 23.9 16.6 13.6 149 148 A H H X S+ 0 0 44 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.914 109.9 46.7 -59.0 -44.0 20.5 17.8 14.6 150 149 A X H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.925 110.4 51.2 -66.3 -44.5 19.5 17.9 10.9 151 150 A A H X S+ 0 0 32 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.914 108.2 54.5 -56.3 -45.8 20.9 14.4 10.3 152 151 A Y H X S+ 0 0 152 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.937 113.3 40.0 -55.0 -49.9 18.9 13.1 13.3 153 152 A H H X S+ 0 0 20 -4,-1.9 4,-2.8 1,-0.2 3,-0.5 0.820 107.9 62.6 -74.4 -27.4 15.6 14.4 11.9 154 153 A L H X S+ 0 0 24 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.885 98.1 58.3 -63.4 -35.8 16.5 13.4 8.4 155 154 A G H < S+ 0 0 41 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.821 110.3 42.9 -61.0 -30.2 16.6 9.8 9.6 156 155 A Q H >< S+ 0 0 58 -4,-0.7 3,-1.5 -3,-0.5 -2,-0.2 0.883 110.1 53.8 -83.0 -46.2 13.0 10.2 10.7 157 156 A L H >< S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.3 4,-0.3 0.836 96.6 71.4 -53.3 -33.7 11.9 12.1 7.5 158 157 A A G >< S+ 0 0 40 -4,-2.1 3,-1.4 1,-0.3 -1,-0.3 0.791 86.1 64.9 -53.9 -30.9 13.3 9.1 5.6 159 158 A Y G < S+ 0 0 162 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.554 87.2 69.8 -77.6 -2.5 10.4 6.9 6.9 160 159 A L G < S+ 0 0 2 -3,-2.3 2,-0.9 -4,-0.2 -1,-0.3 0.553 75.4 94.9 -84.8 -12.8 7.9 9.1 4.9 161 160 A K < 0 0 83 -3,-1.4 -130,-0.0 -4,-0.3 -134,-0.0 -0.765 360.0 360.0 -82.6 109.6 9.3 7.7 1.6 162 161 A K 0 0 187 -2,-0.9 -2,-0.1 0, 0.0 -3,-0.0 -0.803 360.0 360.0-105.6 360.0 6.9 4.8 0.8