==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-SEP-09 3JRT . COMPND 2 MOLECULE: INTEGRON CASSETTE PROTEIN VPC_CASS2; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARACHOLERAE; . AUTHOR S.J.HARROP,C.DESHPANDE,V.SURESHAN,Y.BOUCHER,X.XU,H.CUI,M.CUF . 166 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 74.7 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 . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 57.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 0 A G 0 0 131 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.8 39.8 17.9 -8.2 2 1 A V + 0 0 150 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.551 360.0 160.4 -88.6 156.5 36.8 15.7 -7.3 3 2 A K - 0 0 148 -2,-0.2 2,-0.2 0, 0.0 0, 0.0 -0.957 44.8 -73.1-156.6 176.2 36.1 14.3 -3.8 4 3 A X - 0 0 154 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.557 39.8-130.6 -73.0 148.4 33.4 12.8 -1.6 5 4 A S - 0 0 66 -2,-0.2 5,-0.2 1,-0.1 -1,-0.1 0.634 15.5-148.0 -75.4 -17.3 30.9 15.4 -0.4 6 5 A D >> + 0 0 86 1,-0.1 4,-1.7 3,-0.1 3,-0.7 0.890 35.5 164.1 43.2 39.6 31.1 14.4 3.3 7 6 A K H 3> + 0 0 80 1,-0.2 4,-2.8 2,-0.2 3,-0.2 0.920 68.0 55.8 -45.4 -48.4 27.4 15.5 3.3 8 7 A W H 3> S+ 0 0 128 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.779 103.2 52.4 -67.7 -30.5 26.9 13.7 6.5 9 8 A I H <> S+ 0 0 92 -3,-0.7 4,-2.1 2,-0.2 -1,-0.3 0.917 112.2 46.1 -64.5 -45.3 29.7 15.5 8.3 10 9 A E H X S+ 0 0 61 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.929 112.7 50.9 -65.2 -45.5 28.2 18.8 7.3 11 10 A I H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.912 108.7 49.7 -60.5 -47.1 24.7 17.7 8.3 12 11 A E H X S+ 0 0 65 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.923 113.0 50.1 -56.8 -42.6 25.9 16.5 11.8 13 12 A E H X S+ 0 0 122 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.951 112.6 43.7 -58.7 -54.6 27.5 19.9 12.1 14 13 A I H X S+ 0 0 58 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.918 113.3 51.3 -61.8 -45.1 24.5 22.0 11.1 15 14 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.925 111.1 48.9 -57.2 -46.3 22.1 19.9 13.2 16 15 A S H X S+ 0 0 36 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.889 111.0 49.6 -62.2 -42.0 24.4 20.3 16.3 17 16 A G H X S+ 0 0 30 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.912 109.1 52.8 -61.9 -44.2 24.6 24.1 15.7 18 17 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 5,-0.4 0.910 107.8 51.0 -56.9 -47.0 20.8 24.3 15.4 19 18 A I H X S+ 0 0 21 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.923 116.0 41.3 -57.5 -46.9 20.3 22.5 18.7 20 19 A G H X S+ 0 0 37 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.897 116.6 46.0 -72.2 -42.1 22.7 24.8 20.5 21 20 A D H X S+ 0 0 75 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.897 115.7 45.1 -70.8 -40.6 21.6 28.1 18.9 22 21 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.3 5,-0.2 0.917 114.9 49.6 -68.3 -40.2 17.8 27.5 19.3 23 22 A T H X S+ 0 0 43 -4,-1.8 4,-2.1 -5,-0.4 -2,-0.2 0.913 113.2 45.0 -66.0 -41.7 18.3 26.3 22.9 24 23 A I H X S+ 0 0 92 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.893 108.4 55.3 -73.8 -38.4 20.4 29.2 23.9 25 24 A A H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.908 112.5 44.3 -57.6 -42.9 18.2 31.9 22.3 26 25 A V H X S+ 0 0 2 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.926 114.2 49.7 -67.2 -45.5 15.2 30.5 24.3 27 26 A T H X S+ 0 0 57 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.925 111.8 47.3 -60.7 -48.8 17.2 30.3 27.5 28 27 A V H X S+ 0 0 40 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.937 112.6 49.6 -57.7 -46.6 18.6 33.8 27.2 29 28 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.947 113.2 46.1 -61.2 -49.5 15.1 35.2 26.5 30 29 A K H X S+ 0 0 53 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.878 108.7 56.7 -60.4 -39.4 13.6 33.4 29.4 31 30 A D H >< S+ 0 0 97 -4,-2.7 3,-0.7 -5,-0.2 -2,-0.2 0.954 112.0 41.4 -55.5 -51.2 16.4 34.5 31.7 32 31 A Y H >< S+ 0 0 82 -4,-2.4 3,-2.0 1,-0.3 6,-0.2 0.870 108.9 58.0 -69.5 -35.5 15.7 38.2 30.9 33 32 A E H 3< S+ 0 0 34 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.731 96.0 67.2 -63.9 -19.7 12.0 37.8 31.1 34 33 A G T << S+ 0 0 66 -4,-1.0 2,-0.9 -3,-0.7 -1,-0.3 0.464 81.8 83.9 -79.2 -1.0 12.6 36.5 34.6 35 34 A K X - 0 0 89 -3,-2.0 3,-2.5 1,-0.2 4,-0.2 -0.774 65.8-167.9-104.9 88.5 13.8 40.1 35.5 36 35 A A G > S+ 0 0 75 -2,-0.9 3,-2.3 1,-0.3 -1,-0.2 0.764 79.0 66.7 -46.1 -39.6 10.4 41.8 36.3 37 36 A F G > S+ 0 0 101 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.758 86.7 72.0 -60.2 -21.4 11.9 45.3 36.3 38 37 A L G < S+ 0 0 3 -3,-2.5 -1,-0.3 1,-0.3 9,-0.2 0.607 86.1 65.6 -71.1 -9.1 12.6 45.0 32.6 39 38 A R G < S+ 0 0 153 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.394 79.5 108.7 -90.9 2.3 8.8 45.2 31.9 40 39 A E S X S- 0 0 87 -3,-1.7 3,-1.8 -4,-0.1 4,-0.1 -0.467 82.9-112.3 -79.0 152.8 8.8 48.8 33.2 41 40 A P G > S+ 0 0 96 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.823 113.5 59.2 -56.8 -36.2 8.3 51.7 30.7 42 41 A Q G 3 S+ 0 0 128 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.637 109.3 46.8 -71.9 -9.8 11.8 53.2 31.1 43 42 A H G <> S+ 0 0 50 -3,-1.8 4,-3.3 -6,-0.2 -1,-0.3 0.255 77.4 107.2-110.2 10.4 13.2 49.8 29.9 44 43 A Q H <> S+ 0 0 112 -3,-1.5 4,-3.2 1,-0.2 5,-0.2 0.915 80.1 48.6 -59.3 -47.0 11.0 49.2 26.9 45 44 A T H > S+ 0 0 104 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.933 114.7 45.2 -57.3 -49.4 13.7 49.9 24.4 46 45 A K H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.954 113.3 50.1 -61.9 -49.1 16.2 47.6 26.1 47 46 A R H X S+ 0 0 67 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.927 110.2 50.2 -56.2 -46.4 13.6 44.9 26.6 48 47 A Q H X S+ 0 0 73 -4,-3.2 4,-2.7 -5,-0.2 -1,-0.2 0.873 106.8 55.8 -57.6 -36.8 12.7 45.1 22.9 49 48 A C H X S+ 0 0 55 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.892 106.4 50.0 -66.2 -37.4 16.4 44.8 22.0 50 49 A I H X S+ 0 0 21 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.914 110.2 50.6 -63.1 -46.3 16.6 41.6 23.9 51 50 A W H X S+ 0 0 35 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.906 111.6 47.2 -59.7 -44.4 13.6 40.2 22.2 52 51 A R H X S+ 0 0 77 -4,-2.7 4,-3.0 2,-0.2 5,-0.4 0.955 109.3 54.9 -63.8 -45.5 15.0 41.1 18.7 53 52 A L H X S+ 0 0 119 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.930 118.7 33.2 -49.1 -51.6 18.3 39.5 19.7 54 53 A C H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.913 118.7 50.4 -78.3 -42.2 16.7 36.2 20.6 55 54 A V H X S+ 0 0 0 -4,-3.0 4,-3.1 -5,-0.3 5,-0.3 0.929 107.9 53.1 -62.5 -45.9 13.9 36.2 18.1 56 55 A Y H X S+ 0 0 39 -4,-3.0 4,-2.6 -5,-0.3 -1,-0.2 0.914 110.8 48.4 -55.1 -39.9 16.2 37.0 15.1 57 56 A S H X S+ 0 0 37 -4,-1.1 4,-2.4 -5,-0.4 -2,-0.2 0.953 111.3 49.5 -69.0 -47.3 18.4 34.1 16.1 58 57 A I H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.933 113.7 45.8 -53.2 -47.0 15.3 31.7 16.4 59 58 A V H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.919 110.4 52.8 -69.7 -39.5 13.9 32.7 13.0 60 59 A I H X S+ 0 0 44 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.924 115.5 42.3 -57.4 -42.3 17.3 32.4 11.3 61 60 A N H X S+ 0 0 6 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.857 109.3 55.2 -78.2 -34.8 17.6 28.9 12.7 62 61 A C H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.937 111.2 46.8 -58.4 -46.1 14.1 27.8 12.1 63 62 A R H X S+ 0 0 10 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.919 108.3 55.6 -63.6 -41.3 14.6 28.7 8.4 64 63 A K H X S+ 0 0 101 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.871 104.2 54.9 -57.0 -35.8 17.9 26.9 8.4 65 64 A Y H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.932 110.9 44.2 -65.4 -44.0 16.1 23.8 9.6 66 65 A V H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.950 112.7 51.6 -62.2 -48.2 13.7 24.0 6.7 67 66 A E H X S+ 0 0 76 -4,-3.2 4,-1.0 1,-0.2 -2,-0.2 0.863 108.6 51.4 -60.7 -36.6 16.6 24.8 4.2 68 67 A L H X S+ 0 0 13 -4,-2.5 4,-1.5 -5,-0.2 3,-0.5 0.934 110.5 50.2 -63.2 -45.3 18.4 21.8 5.4 69 68 A N H < S+ 0 0 13 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.924 109.4 49.1 -57.2 -48.3 15.3 19.7 4.9 70 69 A Q H < S+ 0 0 149 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.687 113.9 48.0 -70.3 -15.4 14.8 20.9 1.3 71 70 A K H < S+ 0 0 122 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.720 114.1 44.2 -92.9 -22.1 18.4 20.2 0.5 72 71 A Y < + 0 0 6 -4,-1.5 3,-0.2 -3,-0.4 -1,-0.2 -0.361 41.3 151.7-133.1 59.3 18.6 16.6 2.0 73 72 A G + 0 0 71 1,-0.3 -1,-0.1 -3,-0.2 -3,-0.1 0.398 60.0 103.8 -55.7 3.8 15.7 14.2 1.2 74 73 A K 0 0 95 1,-0.1 -1,-0.3 -3,-0.0 -2,-0.0 0.012 360.0 360.0 -74.5 29.6 18.7 11.9 1.7 75 74 A E 0 0 13 -3,-0.2 6,-0.2 -6,-0.1 -2,-0.2 0.381 360.0 360.0-145.0 360.0 17.1 11.2 5.1 76 ! 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 77 79 A I > 0 0 72 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -17.5 16.9 7.1 9.3 78 80 A P G > + 0 0 79 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.558 360.0 94.0 -42.3 -9.4 13.5 7.4 7.6 79 81 A G G 3 S+ 0 0 81 1,-0.3 3,-0.1 2,-0.1 0, 0.0 0.660 94.9 38.4 -53.6 -15.8 11.9 6.0 10.8 80 82 A H G <> S+ 0 0 64 -3,-1.7 4,-1.9 -5,-0.2 -1,-0.3 0.283 79.8 118.0-115.9 5.4 11.5 9.8 11.6 81 83 A N H <> S+ 0 0 82 -3,-2.2 4,-0.9 1,-0.2 -2,-0.1 0.727 78.5 46.1 -44.0 -28.5 10.6 10.9 8.1 82 84 A H H > S+ 0 0 150 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.933 106.5 49.6 -89.0 -51.4 7.2 12.1 9.4 83 85 A I H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.859 110.7 57.1 -56.8 -33.3 7.8 14.1 12.6 84 86 A R H X S+ 0 0 22 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.909 106.1 46.4 -65.6 -43.6 10.5 15.9 10.6 85 87 A G H X S+ 0 0 35 -4,-0.9 4,-2.2 -5,-0.2 -1,-0.2 0.801 108.1 59.0 -69.0 -28.6 8.0 17.0 7.9 86 88 A V H X S+ 0 0 52 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.961 110.6 39.5 -64.6 -51.9 5.6 18.1 10.6 87 89 A Y H X S+ 0 0 12 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.907 113.5 56.2 -65.7 -39.2 8.0 20.5 12.1 88 90 A N H X S+ 0 0 31 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.916 110.4 46.3 -54.6 -40.8 9.1 21.5 8.7 89 91 A N H X S+ 0 0 78 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.899 105.8 56.4 -74.3 -41.7 5.5 22.4 7.9 90 92 A E H X S+ 0 0 78 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.940 107.2 51.7 -52.4 -49.3 4.8 24.3 11.1 91 93 A I H < S+ 0 0 1 -4,-2.0 7,-0.3 1,-0.2 6,-0.2 0.911 110.9 45.6 -57.6 -47.1 7.7 26.6 10.3 92 94 A N H < S+ 0 0 61 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.904 109.8 56.2 -62.2 -40.0 6.5 27.3 6.7 93 95 A K H < S+ 0 0 137 -4,-2.7 2,-1.5 1,-0.2 -1,-0.2 0.870 95.4 69.6 -58.5 -38.2 2.9 27.9 8.0 94 96 A N >X + 0 0 37 -4,-1.9 3,-1.3 -5,-0.2 4,-0.5 -0.656 66.5 178.8 -87.3 87.2 4.1 30.5 10.4 95 97 A T H 3> + 0 0 81 -2,-1.5 4,-2.3 1,-0.3 -1,-0.2 0.662 69.4 73.7 -71.9 -19.4 5.0 33.2 7.8 96 98 A A H 3> S+ 0 0 1 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.866 91.3 62.5 -57.5 -33.5 6.1 35.8 10.4 97 99 A I H <> S+ 0 0 0 -3,-1.3 4,-2.6 -6,-0.2 -1,-0.2 0.950 107.7 38.4 -57.3 -53.3 9.2 33.6 10.8 98 100 A K H X S+ 0 0 99 -4,-0.5 4,-3.1 -7,-0.3 5,-0.2 0.915 115.5 54.4 -65.6 -43.6 10.4 34.0 7.2 99 101 A K H X S+ 0 0 88 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.921 112.2 43.3 -56.7 -47.3 9.4 37.7 7.2 100 102 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.935 113.9 50.7 -65.4 -45.9 11.4 38.4 10.3 101 103 A R H X S+ 0 0 37 -4,-2.6 4,-2.2 -5,-0.3 5,-0.3 0.961 110.5 50.1 -53.0 -54.2 14.4 36.4 9.0 102 104 A N H X S+ 0 0 40 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.872 113.0 45.0 -54.9 -44.1 14.4 38.2 5.7 103 105 A H H < S+ 0 0 36 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.949 113.7 49.2 -64.7 -49.0 14.3 41.6 7.3 104 106 A C H < S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.791 120.1 36.6 -61.9 -32.5 17.0 40.9 9.8 105 107 A V H < S+ 0 0 82 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.668 91.4 111.5 -98.3 -21.2 19.3 39.4 7.3 106 108 A A S < S- 0 0 25 -4,-1.8 2,-0.2 -5,-0.3 5,-0.0 -0.065 74.0-104.2 -59.5 155.7 18.7 41.7 4.2 107 109 A H > - 0 0 128 1,-0.1 3,-1.2 2,-0.0 -1,-0.1 -0.517 31.8-115.3 -74.6 147.4 21.2 44.1 2.9 108 110 A V T 3 S+ 0 0 140 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.837 117.2 51.5 -53.7 -34.6 20.5 47.8 3.8 109 111 A S T 3 S+ 0 0 96 1,-0.1 2,-1.3 2,-0.1 -1,-0.3 0.711 91.3 83.0 -78.1 -21.6 20.0 48.6 0.1 110 112 A D X + 0 0 52 -3,-1.2 3,-0.7 1,-0.2 -1,-0.1 -0.668 50.6 165.1 -86.5 90.4 17.5 45.7 -0.4 111 113 A K T 3 + 0 0 142 -2,-1.3 3,-0.3 1,-0.2 -1,-0.2 0.320 52.4 91.6 -92.4 10.9 14.3 47.3 0.8 112 114 A S T 3 S+ 0 0 103 1,-0.2 -1,-0.2 3,-0.0 -9,-0.1 0.721 98.8 35.3 -72.7 -19.1 12.0 44.6 -0.7 113 115 A K S < S+ 0 0 78 -3,-0.7 -1,-0.2 -11,-0.1 2,-0.2 0.353 89.4 129.5-112.2 -1.6 12.2 42.8 2.7 114 116 A Y - 0 0 109 -3,-0.3 2,-0.5 -4,-0.1 -11,-0.1 -0.366 37.8-164.3 -70.2 128.9 12.4 45.7 5.1 115 117 A L - 0 0 23 -2,-0.2 5,-0.1 -15,-0.1 -2,-0.0 -0.951 18.8-130.0-107.8 127.5 10.0 45.8 8.0 116 118 A K > - 0 0 132 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.285 35.3 -99.9 -61.4 159.8 9.6 49.1 9.9 117 119 A P H > S+ 0 0 95 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.865 125.2 48.5 -51.2 -45.8 10.0 48.9 13.7 118 120 A A H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.875 112.0 51.5 -65.5 -36.7 6.2 48.8 14.4 119 121 A E H > S+ 0 0 84 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.891 106.3 52.7 -64.4 -41.9 5.9 46.1 11.7 120 122 A V H X S+ 0 0 3 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.942 109.5 50.6 -57.2 -46.9 8.7 44.1 13.3 121 123 A Q H X S+ 0 0 56 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.908 111.1 48.0 -55.8 -46.2 6.7 44.3 16.6 122 124 A E H X S+ 0 0 120 -4,-2.2 4,-2.4 1,-0.2 3,-0.3 0.931 109.6 52.6 -59.8 -46.2 3.5 43.1 14.8 123 125 A E H X S+ 0 0 11 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.845 105.7 55.0 -62.4 -32.5 5.3 40.2 13.2 124 126 A I H X S+ 0 0 10 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.867 107.6 48.9 -68.9 -36.0 6.7 39.1 16.5 125 127 A I H X>S+ 0 0 81 -4,-1.4 5,-1.9 -3,-0.3 4,-0.6 0.918 111.0 50.6 -68.6 -43.8 3.1 38.9 17.9 126 128 A K H ><5S+ 0 0 111 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.895 107.8 54.0 -57.9 -39.5 2.0 36.9 14.9 127 129 A X H 3<5S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.937 113.3 40.8 -64.4 -43.0 4.8 34.5 15.3 128 130 A F H 3<5S- 0 0 14 -4,-1.7 8,-0.3 2,-0.2 -1,-0.3 0.468 108.6-127.4 -83.3 -2.0 3.9 33.8 18.9 129 131 A D T <<5S- 0 0 146 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.779 75.3 -10.1 56.8 33.6 0.2 33.8 18.0 130 132 A G S + 0 0 14 -2,-0.5 4,-2.8 1,-0.2 5,-0.3 0.650 65.2 91.8 -83.3 -19.9 5.5 33.5 24.4 134 136 A D H > S+ 0 0 111 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.856 84.7 49.1 -48.6 -50.8 5.2 30.3 26.5 135 137 A E H > S+ 0 0 165 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.959 116.6 39.3 -59.0 -57.9 3.6 28.0 23.9 136 138 A F H > S+ 0 0 21 -4,-0.4 4,-1.8 -8,-0.3 -1,-0.2 0.920 116.6 50.7 -61.1 -45.0 6.0 28.8 21.0 137 139 A L H X S+ 0 0 10 -4,-2.8 4,-3.2 1,-0.2 3,-0.3 0.931 111.7 47.8 -58.8 -44.8 9.1 28.9 23.3 138 140 A D H < S+ 0 0 76 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.829 108.7 55.8 -65.4 -31.1 8.1 25.5 24.7 139 141 A W H < S+ 0 0 48 -4,-2.0 15,-2.8 -5,-0.2 -1,-0.2 0.812 113.1 40.9 -68.9 -34.0 7.6 24.3 21.2 140 142 A I H < S- 0 0 0 -4,-1.8 15,-2.3 -3,-0.3 16,-0.3 0.957 142.5 -17.3 -73.6 -57.6 11.2 25.3 20.3 141 143 A C < - 0 0 8 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 -0.755 66.6-155.2-159.5 103.3 12.8 24.1 23.5 142 144 A P > - 0 0 22 0, 0.0 3,-0.6 0, 0.0 2,-0.1 -0.305 37.6 -88.6 -74.6 158.8 11.0 23.3 26.8 143 145 A D T 3 S+ 0 0 102 1,-0.2 4,-0.0 2,-0.1 -5,-0.0 -0.381 112.4 14.0 -66.0 148.3 12.7 23.5 30.2 144 146 A N T > S- 0 0 128 1,-0.2 3,-0.7 2,-0.1 -1,-0.2 0.947 75.4-175.3 48.4 54.3 14.5 20.3 31.3 145 147 A I T < S+ 0 0 32 -3,-0.6 3,-0.4 1,-0.2 -1,-0.2 0.647 70.4 79.4 -55.8 -14.8 14.2 19.0 27.7 146 148 A S T 3 S+ 0 0 102 1,-0.3 2,-2.1 3,-0.0 -1,-0.2 0.989 92.2 44.9 -55.9 -65.9 15.6 15.8 29.1 147 149 A T S < S+ 0 0 125 -3,-0.7 2,-0.3 2,-0.1 -1,-0.3 -0.516 100.6 103.5 -78.7 73.8 12.3 14.6 30.7 148 150 A T S S- 0 0 43 -2,-2.1 2,-0.6 -3,-0.4 5,-0.1 -0.979 83.2-106.3-157.8 134.9 10.4 15.4 27.5 149 151 A D > - 0 0 86 -2,-0.3 3,-2.4 1,-0.2 7,-0.1 -0.576 33.4-148.6 -61.9 114.2 8.9 13.6 24.6 150 152 A K G > S+ 0 0 53 -2,-0.6 3,-0.7 1,-0.3 10,-0.2 0.604 93.7 67.4 -70.3 -9.6 11.4 14.7 22.0 151 153 A S G 3 S+ 0 0 47 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.602 90.7 68.1 -73.8 -13.5 8.7 14.5 19.4 152 154 A E G < S+ 0 0 131 -3,-2.4 2,-0.3 1,-0.0 -1,-0.2 0.358 98.9 44.3 -98.8 5.2 7.1 17.5 21.2 153 155 A S S <> S- 0 0 0 -3,-0.7 4,-2.4 1,-0.1 -13,-0.2 -0.998 73.8-124.5-147.8 150.5 9.7 20.2 20.4 154 156 A L H > S+ 0 0 0 -15,-2.8 4,-2.4 -2,-0.3 5,-0.2 0.915 114.0 48.0 -53.7 -46.5 11.8 21.4 17.5 155 157 A V H > S+ 0 0 2 -15,-2.3 4,-2.0 -16,-0.2 -1,-0.2 0.877 110.1 51.5 -68.9 -37.3 15.0 21.0 19.4 156 158 A G H > S+ 0 0 0 -16,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.905 112.0 47.5 -64.1 -40.9 14.1 17.4 20.5 157 159 A V H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.883 110.5 51.0 -66.3 -38.5 13.3 16.5 16.9 158 160 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.862 110.8 49.6 -70.6 -31.9 16.5 18.0 15.7 159 161 A E H X S+ 0 0 37 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.822 103.6 60.0 -70.2 -34.7 18.3 16.0 18.4 160 162 A L H X S+ 0 0 41 -4,-1.9 4,-0.9 -10,-0.2 -2,-0.2 0.889 111.8 40.6 -57.4 -41.0 16.4 12.9 17.2 161 163 A L H X S+ 0 0 3 -4,-1.6 4,-3.1 2,-0.2 3,-0.3 0.935 112.4 52.6 -75.7 -49.3 18.1 13.4 13.8 162 164 A R H X S+ 0 0 57 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.950 110.4 48.5 -51.5 -54.7 21.5 14.4 15.0 163 165 A D H < S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.794 113.0 48.1 -56.7 -34.9 21.8 11.3 17.2 164 166 A A H < S+ 0 0 31 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.946 107.9 54.1 -70.7 -48.5 20.7 9.0 14.3 165 167 A V H < S+ 0 0 15 -4,-3.1 2,-2.9 1,-0.2 -2,-0.2 0.820 88.2 83.5 -56.5 -29.4 23.1 10.6 11.9 166 168 A S < 0 0 74 -4,-1.9 -1,-0.2 -5,-0.3 -4,-0.0 -0.433 360.0 360.0 -74.9 73.5 25.8 9.8 14.4 167 169 A A 0 0 132 -2,-2.9 -3,-0.1 0, 0.0 -2,-0.0 -0.933 360.0 360.0 173.5 360.0 26.0 6.3 13.0