==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-FEB-04 1SDI . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YCFC; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.BOREK,Z.OTWINOWSKI,Y.CHEN,T.SKARINA,A.SAVCHENKO,A.EDWARDS, . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10755.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 76.5 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 . 0 0.0 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 . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 0 0 0 0 0 1 0 2 0 1 0 0 0 0 0 0 2 0 1 1 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 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 1 A G 0 0 106 0, 0.0 3,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0-105.1 34.1 22.4 19.6 2 2 A A - 0 0 92 1,-0.1 182,-0.0 0, 0.0 0, 0.0 -0.199 360.0 -71.2 -50.6 152.2 37.3 21.8 17.5 3 3 A K + 0 0 137 4,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.160 68.1 164.0 -51.1 130.8 36.6 21.9 13.8 4 4 A N > - 0 0 53 180,-0.5 4,-1.9 -3,-0.1 5,-0.1 -0.989 47.8-120.7-153.3 151.7 34.5 19.0 12.5 5 5 A Y H > S+ 0 0 81 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.715 105.2 66.7 -67.8 -24.9 32.5 18.1 9.5 6 6 A Y H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.974 108.9 37.7 -59.7 -52.2 29.2 17.5 11.5 7 7 A D H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 115.5 52.7 -67.3 -38.2 29.0 21.2 12.4 8 8 A I H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.914 109.6 50.4 -65.6 -37.1 30.2 22.4 9.0 9 9 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.895 109.2 50.9 -67.2 -44.6 27.5 20.2 7.3 10 10 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.959 111.3 46.8 -58.9 -46.2 24.8 21.6 9.5 11 11 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 170,-0.2 0.929 112.6 50.4 -65.7 -40.5 25.7 25.3 8.7 12 12 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 3,-0.4 0.935 106.0 56.1 -61.4 -38.7 26.0 24.5 5.0 13 13 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.859 102.9 55.8 -60.1 -34.6 22.6 22.9 5.2 14 14 A G H X S+ 0 0 3 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.870 107.6 47.7 -65.9 -36.6 21.3 26.2 6.6 15 15 A I H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.4 -2,-0.2 0.938 114.4 46.9 -63.7 -49.2 22.6 28.1 3.6 16 16 A C H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.841 106.1 58.5 -64.1 -31.9 21.0 25.5 1.2 17 17 A Q H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.942 106.8 48.4 -67.5 -44.1 17.7 25.6 3.1 18 18 A S H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.950 110.2 52.7 -56.0 -45.0 17.5 29.4 2.4 19 19 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.927 111.6 44.9 -57.6 -44.4 18.2 28.7 -1.3 20 20 A R H X S+ 0 0 93 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.914 111.2 51.2 -71.1 -39.5 15.5 26.1 -1.6 21 21 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.907 109.7 52.4 -65.0 -40.2 12.8 28.3 0.3 22 22 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 -1,-0.2 0.941 108.9 49.8 -57.8 -48.9 13.7 31.2 -2.1 23 23 A Q H X S+ 0 0 8 -4,-2.1 4,-1.8 -5,-0.2 5,-0.3 0.918 112.0 47.9 -56.8 -42.4 13.2 28.9 -5.1 24 24 A Q H X>S+ 0 0 28 -4,-2.3 4,-2.6 1,-0.2 6,-0.6 0.949 114.3 46.2 -63.0 -48.1 9.8 27.7 -3.8 25 25 A L H X5S+ 0 0 1 -4,-2.9 4,-1.5 3,-0.2 -2,-0.2 0.890 112.4 50.7 -61.5 -40.9 8.7 31.3 -3.1 26 26 A A H <5S+ 0 0 0 -4,-3.0 128,-2.6 -5,-0.2 132,-0.3 0.838 120.8 32.0 -72.6 -30.7 9.8 32.6 -6.5 27 27 A H H <5S+ 0 0 66 -4,-1.8 -2,-0.2 126,-0.3 -1,-0.2 0.815 137.1 19.6 -91.2 -35.3 8.0 29.9 -8.5 28 28 A Q H <5S- 0 0 105 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.650 89.3-125.0-113.3 -25.1 5.0 29.2 -6.3 29 29 A G S < - 0 0 70 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 -0.451 50.3-155.2 -58.5 115.2 7.5 24.8 3.3 33 33 A A H > S+ 0 0 65 -2,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.852 87.6 50.8 -73.8 -34.5 6.2 26.7 6.4 34 34 A D H > S+ 0 0 131 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 111.8 46.9 -67.8 -45.7 8.0 24.7 9.0 35 35 A A H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.897 111.9 51.2 -61.6 -41.8 11.4 25.1 7.3 36 36 A L H X S+ 0 0 9 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.920 108.3 52.8 -64.3 -40.8 10.8 28.9 6.8 37 37 A H H X S+ 0 0 98 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.940 110.4 46.9 -58.9 -45.2 9.9 29.1 10.5 38 38 A V H X S+ 0 0 18 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.937 115.0 46.5 -58.4 -46.5 13.2 27.5 11.4 39 39 A S H X S+ 0 0 2 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.943 114.1 45.5 -69.1 -45.8 15.2 29.7 9.0 40 40 A L H >X S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 4,-0.9 0.925 111.6 54.0 -61.4 -42.3 13.6 33.0 10.1 41 41 A N H >X S+ 0 0 49 -4,-2.5 4,-1.4 -5,-0.3 3,-0.6 0.880 96.9 65.5 -60.9 -34.4 14.0 32.0 13.8 42 42 A S H 3< S+ 0 0 4 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.789 96.6 58.3 -59.1 -24.6 17.7 31.4 13.3 43 43 A I H << S+ 0 0 12 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.910 118.2 27.9 -68.6 -40.4 18.0 35.2 12.6 44 44 A I H << S+ 0 0 49 -4,-0.9 2,-1.3 -3,-0.6 -2,-0.2 0.357 87.2 108.0-104.1 -3.1 16.6 36.2 16.0 45 45 A D < - 0 0 68 -4,-1.4 11,-0.1 9,-0.2 -1,-0.0 -0.668 67.2-144.1 -88.9 95.5 17.5 33.2 18.3 46 46 A M - 0 0 124 -2,-1.3 -2,-0.1 1,-0.2 -3,-0.0 -0.185 57.3 -0.6 -72.9 147.3 20.2 34.9 20.3 47 47 A N S S- 0 0 142 1,-0.1 -1,-0.2 2,-0.0 7,-0.0 0.857 74.5-158.0 48.4 57.1 23.5 33.4 21.7 48 48 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.279 12.2-146.1 -63.5 143.0 23.2 29.8 20.5 49 49 A S S S+ 0 0 116 1,-0.1 2,-0.3 2,-0.0 3,-0.1 0.518 77.3 8.6 -89.8 -6.4 25.3 27.3 22.5 50 50 A S S > S- 0 0 61 1,-0.1 4,-0.9 -43,-0.0 7,-0.1 -0.958 83.1 -98.0-156.7 169.0 26.1 25.0 19.6 51 51 A T H >> S+ 0 0 9 -2,-0.3 3,-0.8 1,-0.2 4,-0.5 0.918 123.5 50.9 -58.9 -41.7 25.7 25.0 15.8 52 52 A L H >4>S+ 0 0 28 1,-0.2 5,-2.1 2,-0.2 3,-1.4 0.872 99.3 65.5 -68.8 -33.4 22.6 22.9 16.0 53 53 A A H >45S+ 0 0 21 1,-0.3 3,-1.7 3,-0.2 -1,-0.2 0.780 90.1 66.7 -58.0 -34.2 21.1 25.3 18.5 54 54 A V H <<5S+ 0 0 1 -4,-0.9 -1,-0.3 -3,-0.8 -9,-0.2 0.859 104.6 44.3 -51.1 -35.0 21.0 28.0 15.8 55 55 A F T <<5S- 0 0 3 -3,-1.4 3,-0.5 -4,-0.5 -1,-0.3 0.037 136.2 -84.8-104.6 26.8 18.4 25.9 14.0 56 56 A G T < 5 - 0 0 43 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.503 67.0 -80.7 84.3 6.2 16.4 25.1 17.2 57 57 A G S - 0 0 63 -3,-0.5 3,-1.6 -6,-0.4 4,-0.2 -0.994 64.6-143.9-136.2 129.5 16.9 19.4 16.3 59 59 A E G > S+ 0 0 25 -2,-0.4 3,-2.2 1,-0.3 4,-0.1 0.794 98.7 70.9 -58.4 -29.9 18.4 18.0 13.0 60 60 A A G > S+ 0 0 56 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.790 86.3 66.7 -59.0 -26.3 14.8 17.5 11.7 61 61 A N G < S+ 0 0 50 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.656 102.3 47.3 -69.4 -15.9 14.6 21.3 11.4 62 62 A L G <> S+ 0 0 0 -3,-2.2 4,-2.9 -4,-0.2 5,-0.3 0.184 74.6 112.9-107.3 11.4 17.3 21.2 8.7 63 63 A R H <> S+ 0 0 87 -3,-1.4 4,-2.5 1,-0.2 5,-0.3 0.907 78.8 49.3 -51.6 -46.0 15.8 18.4 6.6 64 64 A V H > S+ 0 0 23 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.965 114.5 45.1 -59.3 -46.4 15.1 20.7 3.7 65 65 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.869 111.7 51.5 -62.5 -41.2 18.6 22.1 3.7 66 66 A L H X S+ 0 0 0 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.916 112.2 45.8 -69.1 -40.3 20.3 18.7 4.1 67 67 A E H X S+ 0 0 107 -4,-2.5 4,-1.3 -5,-0.3 -2,-0.2 0.925 114.5 49.7 -64.0 -45.4 18.3 17.3 1.1 68 68 A T H X S+ 0 0 13 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.892 103.9 58.7 -58.1 -40.5 19.1 20.5 -0.9 69 69 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.898 99.1 59.4 -62.2 -36.5 22.8 20.3 -0.0 70 70 A L H X S+ 0 0 38 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.926 111.9 38.7 -59.4 -44.5 23.0 16.8 -1.7 71 71 A G H X S+ 0 0 32 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.882 113.9 54.0 -74.5 -35.5 21.8 18.2 -5.0 72 72 A V H < S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.911 116.6 38.5 -64.5 -42.8 23.9 21.5 -4.8 73 73 A L H < S+ 0 0 14 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.826 133.9 18.9 -77.9 -31.4 27.1 19.5 -4.2 74 74 A N H < S+ 0 0 75 -4,-1.6 2,-0.5 -5,-0.3 -3,-0.2 0.532 93.1 94.1-123.2 -10.0 26.5 16.6 -6.6 75 75 A A < - 0 0 38 -4,-2.5 2,-0.2 -5,-0.2 -4,-0.0 -0.762 56.8-166.1 -88.9 126.4 23.9 17.4 -9.2 76 76 A S + 0 0 102 -2,-0.5 2,-0.4 2,-0.0 -1,-0.1 -0.558 41.0 114.0-132.1 72.1 25.7 18.7 -12.1 77 77 A S - 0 0 78 -2,-0.2 -2,-0.0 2,-0.2 3,-0.0 -0.874 51.5-150.5-100.3 150.2 23.8 20.4 -14.7 78 78 A R S S+ 0 0 218 -2,-0.4 2,-0.3 8,-0.0 -2,-0.0 0.065 87.7 54.0 -86.8 10.0 24.7 24.0 -15.0 79 79 A Q S S+ 0 0 123 4,-0.0 4,-0.4 5,-0.0 -2,-0.2 -0.847 76.3 56.7-138.0 175.5 21.1 24.1 -16.1 80 80 A G S >> S- 0 0 50 -2,-0.3 4,-0.8 1,-0.2 3,-0.6 -0.173 98.2 -61.1 87.9 173.8 17.6 23.0 -14.9 81 81 A L H >> S+ 0 0 101 1,-0.2 3,-1.0 2,-0.2 4,-0.9 0.890 132.4 63.2 -63.9 -31.4 15.8 23.9 -11.8 82 82 A N H >> S+ 0 0 109 1,-0.2 4,-1.3 2,-0.2 3,-0.7 0.879 95.2 59.4 -65.1 -33.9 18.5 22.3 -9.8 83 83 A A H <> S+ 0 0 4 -3,-0.6 4,-2.3 -4,-0.4 -1,-0.2 0.796 93.9 64.3 -67.5 -22.5 21.1 24.8 -11.0 84 84 A E H < S- 0 0 35 -4,-1.2 3,-2.0 -3,-0.5 4,-0.5 -0.639 86.6-111.3 -79.8 118.1 33.5 45.4 5.1 103 103 A K T 3 S- 0 0 207 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 -0.260 95.4 -1.2 -53.2 123.6 34.5 47.4 8.1 104 104 A G T 3> S+ 0 0 27 -4,-0.1 4,-2.3 1,-0.1 -1,-0.3 0.297 98.2 113.9 86.5 -11.3 31.7 47.8 10.6 105 105 A A H <> S+ 0 0 13 -3,-2.0 4,-2.8 -6,-0.2 -2,-0.1 0.901 74.4 48.2 -65.6 -44.0 29.1 45.8 8.6 106 106 A L H > S+ 0 0 74 -4,-0.5 4,-2.6 -7,-0.4 -1,-0.2 0.892 112.3 52.2 -64.0 -35.7 28.7 42.8 10.9 107 107 A D H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.954 110.4 47.1 -62.9 -47.1 28.2 45.3 13.8 108 108 A T H X S+ 0 0 68 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.926 111.6 52.1 -57.0 -49.4 25.6 47.2 11.9 109 109 A L H X S+ 0 0 12 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.932 109.1 48.3 -55.1 -49.7 23.9 43.9 11.0 110 110 A G H X S+ 0 0 40 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.884 112.2 49.5 -57.6 -43.6 23.7 42.7 14.6 111 111 A N H X S+ 0 0 102 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.921 111.6 48.4 -64.2 -41.1 22.3 46.0 15.8 112 112 A R H < S+ 0 0 72 -4,-2.7 4,-0.3 -5,-0.2 -2,-0.2 0.914 111.7 49.9 -65.2 -41.8 19.6 46.0 13.1 113 113 A I H >< S+ 0 0 32 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.937 111.0 47.9 -64.0 -45.5 18.7 42.4 13.9 114 114 A N H >< S+ 0 0 87 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.839 102.0 66.4 -67.2 -26.2 18.3 43.1 17.6 115 115 A G T >< S+ 0 0 19 -4,-1.7 3,-2.1 1,-0.3 4,-0.3 0.600 75.2 86.5 -67.7 -12.3 16.3 46.2 16.7 116 116 A L T X> S+ 0 0 1 -3,-1.8 4,-2.6 -4,-0.3 3,-1.1 0.672 70.1 78.9 -61.0 -17.9 13.6 43.8 15.4 117 117 A Q H <> S+ 0 0 115 -3,-1.5 4,-1.3 1,-0.2 -1,-0.3 0.768 76.8 71.8 -55.2 -26.7 12.4 43.9 19.0 118 118 A R H <4 S+ 0 0 149 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.878 114.9 23.8 -56.7 -38.7 10.8 47.3 18.1 119 119 A Q H X> S+ 0 0 35 -3,-1.1 4,-2.0 -4,-0.3 3,-1.1 0.725 112.2 68.6 -98.6 -29.4 8.3 45.2 16.0 120 120 A L H 3< S+ 0 0 54 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.747 88.8 67.9 -67.7 -21.0 8.4 41.8 17.8 121 121 A E T 3< S+ 0 0 150 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.1 0.902 119.2 19.6 -57.1 -40.0 6.8 43.3 20.8 122 122 A H T <4 S+ 0 0 135 -3,-1.1 2,-0.3 -4,-0.2 -2,-0.2 0.589 123.5 48.8-106.4 -21.9 3.6 43.8 18.8 123 123 A F S < S- 0 0 94 -4,-2.0 -1,-0.1 4,-0.1 2,-0.1 -0.959 77.9-110.3-131.8 148.7 3.8 41.4 15.8 124 124 A D > - 0 0 134 -2,-0.3 3,-1.6 1,-0.1 6,-0.4 -0.310 33.2-110.0 -76.4 159.9 4.7 37.7 15.3 125 125 A L T 3 S+ 0 0 18 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.0 0.842 117.9 45.8 -57.8 -40.2 7.8 36.6 13.5 126 126 A Q T 3 S+ 0 0 71 4,-0.1 -1,-0.3 5,-0.0 -2,-0.0 0.334 88.8 114.7 -87.4 3.4 5.9 35.4 10.4 127 127 A S S <> S- 0 0 29 -3,-1.6 4,-2.3 1,-0.1 5,-0.2 -0.296 80.6-110.7 -64.5 158.0 3.7 38.5 10.1 128 128 A E H > S+ 0 0 128 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 118.3 57.1 -52.7 -40.3 3.8 40.8 7.1 129 129 A T H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 110.5 41.3 -61.4 -44.8 5.3 43.5 9.4 130 130 A L H > S+ 0 0 0 -6,-0.4 4,-2.9 2,-0.2 5,-0.3 0.884 111.9 54.4 -71.9 -37.6 8.2 41.3 10.5 131 131 A M H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.939 111.6 47.1 -59.6 -40.5 8.8 40.0 7.0 132 132 A S H X S+ 0 0 67 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.893 111.5 49.5 -70.0 -38.7 9.1 43.6 5.8 133 133 A A H X S+ 0 0 15 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.883 112.9 46.9 -67.2 -38.8 11.3 44.6 8.6 134 134 A M H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.909 110.6 52.9 -67.4 -41.9 13.6 41.6 7.9 135 135 A A H X S+ 0 0 10 -4,-2.6 4,-2.8 -5,-0.3 -2,-0.2 0.904 104.8 55.9 -58.6 -41.6 13.6 42.4 4.2 136 136 A A H X S+ 0 0 34 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.842 104.8 53.0 -65.2 -32.3 14.7 46.0 5.0 137 137 A I H X>S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.8 0.950 111.9 44.8 -64.7 -48.5 17.7 44.7 6.9 138 138 A Y H X>S+ 0 0 2 -4,-2.0 5,-2.7 1,-0.2 4,-1.2 0.956 118.7 42.9 -59.3 -51.7 18.8 42.6 3.9 139 139 A V H <5S+ 0 0 59 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.869 121.1 39.4 -64.1 -39.0 18.1 45.5 1.4 140 140 A D H <5S+ 0 0 96 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.826 130.1 22.3 -82.5 -35.7 19.7 48.3 3.6 141 141 A V H <5S+ 0 0 18 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.817 130.8 22.5-104.2 -38.4 22.8 46.5 5.0 142 142 A I T >< - 0 0 40 -128,-2.6 4,-2.5 -2,-0.2 5,-0.2 -0.907 63.2-150.5 -95.7 111.4 7.2 33.1 -12.1 155 155 A P H > S+ 0 0 103 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.890 94.2 48.4 -53.5 -42.8 7.4 36.8 -13.0 156 156 A A H >4 S+ 0 0 68 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.881 110.0 51.6 -69.3 -35.1 3.9 37.6 -12.0 157 157 A V H >4 S+ 0 0 38 1,-0.2 3,-2.0 -3,-0.2 6,-0.2 0.951 106.9 54.8 -60.5 -44.5 4.3 35.9 -8.6 158 158 A L H 3< S+ 0 0 21 -4,-2.5 -1,-0.2 -132,-0.3 -2,-0.2 0.622 90.7 75.2 -70.2 -8.0 7.4 37.9 -8.0 159 159 A Q T << S+ 0 0 162 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.603 74.1 99.4 -72.0 -16.1 5.5 41.2 -8.6 160 160 A S <> - 0 0 35 -3,-2.0 4,-2.2 -4,-0.3 5,-0.2 -0.620 66.9-151.0 -73.9 127.7 3.9 40.8 -5.2 161 161 A P H > S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.858 98.8 57.6 -66.9 -30.4 5.7 42.9 -2.5 162 162 A Q H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.939 108.6 45.1 -64.3 -42.9 4.7 40.3 0.1 163 163 A V H > S+ 0 0 15 -6,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.924 111.7 52.5 -61.9 -45.4 6.5 37.7 -1.9 164 164 A Q H X S+ 0 0 66 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.886 109.7 49.8 -57.0 -41.3 9.5 40.0 -2.4 165 165 A A H X S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.937 111.0 48.2 -65.7 -45.4 9.6 40.6 1.4 166 166 A K H X S+ 0 0 70 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 112.0 50.5 -62.3 -41.5 9.5 36.8 2.2 167 167 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.940 112.9 45.4 -60.4 -48.6 12.3 36.2 -0.4 168 168 A R H X S+ 0 0 35 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.910 112.2 50.5 -65.4 -39.4 14.5 39.0 1.1 169 169 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.901 110.9 49.7 -63.1 -39.8 13.9 37.8 4.6 170 170 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.890 108.5 53.2 -68.0 -36.3 14.8 34.2 3.6 171 171 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.907 104.7 55.0 -62.1 -39.6 18.0 35.5 2.0 172 172 A L H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.909 106.6 51.0 -60.7 -41.1 18.8 37.2 5.3 173 173 A A H X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.911 108.7 52.5 -60.3 -39.8 18.5 33.8 6.9 174 174 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.908 108.6 48.6 -62.0 -43.4 20.9 32.4 4.2 175 175 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.903 109.5 53.5 -61.3 -44.2 23.5 35.1 5.0 176 176 A R H X S+ 0 0 50 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.910 109.6 47.7 -61.1 -38.6 23.1 34.3 8.7 177 177 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.875 108.9 54.7 -67.7 -33.6 23.8 30.6 8.0 178 178 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.879 105.0 52.8 -70.8 -32.6 26.9 31.6 5.8 179 179 A V H X S+ 0 0 17 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.950 111.4 46.4 -64.7 -46.8 28.3 33.6 8.7 180 180 A L H X S+ 0 0 12 -4,-1.7 4,-2.0 2,-0.2 6,-0.2 0.914 107.4 58.9 -58.1 -44.9 28.0 30.5 10.9 181 181 A W H <>S+ 0 0 2 -4,-2.5 5,-2.8 1,-0.2 3,-0.3 0.929 109.3 42.9 -54.5 -44.3 29.5 28.3 8.2 182 182 A H H ><5S+ 0 0 41 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.889 110.3 57.0 -73.0 -33.3 32.7 30.4 8.2 183 183 A Q H 3<5S+ 0 0 140 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 108.2 46.6 -65.6 -29.9 32.8 30.5 11.9 184 184 A V T 3<5S- 0 0 29 -4,-2.0 -180,-0.5 -3,-0.3 -1,-0.3 0.273 132.9 -83.1 -97.1 5.9 32.8 26.7 12.2 185 185 A G T < 5S+ 0 0 18 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.442 83.2 134.2 113.9 2.3 35.5 26.2 9.6 186 186 A G < + 0 0 7 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.3 -0.266 20.7 125.2 -75.1 162.4 33.7 26.3 6.3 187 187 A G > - 0 0 9 1,-0.2 4,-2.5 -2,-0.0 5,-0.2 -0.955 67.9 -62.3 167.5-179.5 34.8 28.2 3.2 188 188 A R H > S+ 0 0 183 -2,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.918 128.0 36.5 -52.3 -58.6 35.8 28.1 -0.5 189 189 A L H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.885 114.0 55.2 -67.8 -39.6 38.7 25.8 -0.2 190 190 A Q H > S+ 0 0 25 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.932 110.3 47.5 -63.0 -42.5 37.3 23.6 2.5 191 191 A L H >X S+ 0 0 28 -4,-2.5 3,-1.1 2,-0.2 4,-0.6 0.950 110.5 52.0 -61.1 -48.8 34.2 23.0 0.2 192 192 A M H 3< S+ 0 0 117 -4,-2.0 3,-0.2 1,-0.2 -1,-0.2 0.822 117.6 39.9 -47.6 -39.2 36.5 22.2 -2.9 193 193 A F H 3< S+ 0 0 133 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.500 120.7 40.4 -98.6 0.9 38.3 19.7 -0.8 194 194 A S H S+ 0 0 119 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.867 111.6 52.1 -58.0 -41.9 32.2 13.8 -0.4 197 197 A R H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.917 114.3 44.0 -61.0 -40.0 32.7 14.2 3.4 198 198 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.905 114.4 48.4 -72.5 -44.2 29.9 16.8 3.5 199 199 A T H X S+ 0 0 8 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.928 113.5 47.3 -58.1 -51.3 27.6 14.7 1.2 200 200 A T H X S+ 0 0 75 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.903 112.2 51.0 -56.3 -46.9 28.2 11.5 3.3 201 201 A Q H X S+ 0 0 42 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.947 110.3 48.5 -62.1 -40.5 27.6 13.5 6.6 202 202 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.918 111.0 49.9 -65.9 -45.9 24.3 14.9 5.3 203 203 A K H X S+ 0 0 125 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.898 108.8 54.1 -61.4 -34.0 23.1 11.5 4.1 204 204 A Q H X S+ 0 0 99 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.929 109.2 47.4 -66.0 -38.6 24.0 10.1 7.6 205 205 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.939 110.7 51.2 -68.3 -40.1 21.9 12.8 9.3 206 206 A L H < S+ 0 0 21 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.918 111.2 48.5 -66.8 -34.7 19.0 12.1 6.9 207 207 A A H >< S+ 0 0 64 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.913 107.8 54.2 -67.1 -42.1 19.2 8.3 7.7 208 208 A H H 3< S+ 0 0 120 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.859 108.4 51.7 -59.6 -36.4 19.3 9.1 11.5 209 209 A L T 3< S+ 0 0 37 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.498 109.5 51.6 -76.1 -5.8 16.1 11.1 10.9 210 210 A T X + 0 0 14 -3,-1.4 3,-1.6 -4,-0.4 -1,-0.2 -0.484 53.7 153.4-134.1 61.9 14.4 8.2 9.2 211 211 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.850 72.5 69.1 -61.9 -29.6 14.6 5.0 11.3 212 212 A E T 3 0 0 146 -3,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.636 360.0 360.0 -63.2 -15.0 11.4 3.7 9.7 213 213 A L < 0 0 198 -3,-1.6 -3,-0.0 -6,-0.2 -6,-0.0 -0.434 360.0 360.0-113.7 360.0 13.4 3.3 6.4