==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 13-MAY-09 3HGG . COMPND 2 MOLECULE: CMER; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR M.D.ROUTH,F.YANG . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 74.8 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 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 1 1 0 1 1 0 0 0 0 1 1 0 0 0 0 1 1 0 1 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 6 A T > 0 0 88 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 137.8 -41.6 -3.7 1.6 2 7 A P H > + 0 0 97 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.874 360.0 52.2 -60.8 -36.3 -39.3 -5.6 3.9 3 8 A S H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.888 107.3 50.2 -66.7 -43.0 -36.8 -6.1 1.0 4 9 A Q H > S+ 0 0 125 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 109.3 53.0 -59.8 -41.2 -36.8 -2.4 0.1 5 10 A K H X S+ 0 0 131 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.817 108.4 50.4 -63.8 -34.0 -36.0 -1.6 3.8 6 11 A V H X S+ 0 0 72 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.946 111.1 46.6 -70.9 -51.0 -33.1 -4.0 3.7 7 12 A L H X S+ 0 0 95 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.904 111.9 52.4 -53.7 -44.5 -31.6 -2.5 0.6 8 13 A A H X S+ 0 0 61 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.919 109.1 49.5 -61.2 -42.6 -32.2 0.9 2.1 9 14 A R H X S+ 0 0 108 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.877 110.9 50.5 -62.5 -39.1 -30.3 -0.2 5.2 10 15 A Q H X S+ 0 0 35 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.909 106.9 52.5 -67.2 -43.1 -27.5 -1.5 3.1 11 16 A E H X S+ 0 0 95 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.776 108.3 55.0 -64.1 -22.5 -27.2 1.7 1.2 12 17 A K H X S+ 0 0 100 -4,-1.2 4,-1.8 -5,-0.2 -2,-0.2 0.902 107.0 46.9 -73.7 -45.9 -26.9 3.4 4.6 13 18 A I H X S+ 0 0 1 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.901 114.7 47.1 -62.4 -43.9 -24.0 1.3 5.9 14 19 A K H X S+ 0 0 11 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.869 109.7 52.9 -69.9 -35.7 -22.1 1.7 2.6 15 20 A A H X S+ 0 0 59 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.2 0.863 112.5 45.8 -68.2 -36.5 -22.7 5.5 2.6 16 21 A V H X S+ 0 0 14 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.956 113.0 49.1 -66.3 -52.2 -21.4 5.7 6.1 17 22 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.929 111.9 50.2 -53.7 -48.8 -18.4 3.5 5.3 18 23 A L H X S+ 0 0 45 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.925 108.9 50.2 -56.7 -48.2 -17.7 5.6 2.2 19 24 A E H X S+ 0 0 125 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.853 112.7 48.5 -61.4 -36.4 -17.8 8.9 4.1 20 25 A L H X>S+ 0 0 14 -4,-2.2 4,-2.9 2,-0.2 5,-1.8 0.949 108.8 51.2 -66.2 -52.0 -15.4 7.5 6.7 21 26 A F H <5S+ 0 0 8 -4,-2.9 5,-0.4 1,-0.2 4,-0.3 0.911 119.8 38.7 -50.2 -43.8 -13.0 6.2 4.1 22 27 A L H <5S+ 0 0 109 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.829 126.6 33.4 -75.4 -36.5 -13.1 9.7 2.5 23 28 A T H <5S+ 0 0 100 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.900 134.8 19.6 -91.3 -45.7 -13.2 11.8 5.7 24 29 A K T <5S- 0 0 99 -4,-2.9 -3,-0.2 -5,-0.3 4,-0.1 0.686 112.4-103.3-102.1 -23.2 -11.1 9.8 8.2 25 30 A G >< - 0 0 18 -5,-1.8 4,-1.3 -4,-0.3 -3,-0.2 0.010 20.2-101.4 105.8 144.7 -9.1 7.6 5.9 26 31 A Y T 4 S+ 0 0 11 -5,-0.4 3,-0.5 1,-0.2 -1,-0.1 0.945 122.3 43.2 -61.1 -49.8 -9.4 3.9 4.9 27 32 A Q T 4 S+ 0 0 106 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.848 113.5 53.3 -69.2 -30.5 -6.6 2.8 7.2 28 33 A E T 4 S+ 0 0 121 -4,-0.1 2,-0.5 -7,-0.1 -1,-0.2 0.744 95.6 81.3 -73.6 -25.9 -7.8 5.0 10.0 29 34 A T < - 0 0 1 -4,-1.3 2,-0.3 -3,-0.5 23,-0.1 -0.702 60.4-164.7 -93.4 125.0 -11.4 3.6 10.0 30 35 A S >> - 0 0 53 -2,-0.5 4,-1.6 1,-0.1 3,-1.0 -0.699 36.5-107.1-100.7 162.4 -12.4 0.4 11.7 31 36 A L H 3> S+ 0 0 44 1,-0.3 4,-2.9 -2,-0.3 3,-0.2 0.895 120.4 58.9 -48.4 -44.1 -15.6 -1.6 11.1 32 37 A S H 3> S+ 0 0 76 1,-0.3 4,-2.9 2,-0.3 -1,-0.3 0.864 100.0 55.0 -59.0 -37.0 -16.8 -0.4 14.5 33 38 A D H <> S+ 0 0 27 -3,-1.0 4,-1.7 1,-0.2 -1,-0.3 0.924 111.7 46.9 -58.0 -41.5 -16.5 3.2 13.4 34 39 A I H X S+ 0 0 1 -4,-1.6 4,-1.1 -3,-0.2 -2,-0.3 0.905 112.3 47.9 -67.5 -44.5 -18.8 2.1 10.6 35 40 A I H X S+ 0 0 54 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.888 109.2 54.2 -64.4 -39.2 -21.2 0.3 12.9 36 41 A K H >< S+ 0 0 170 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.918 113.0 40.3 -62.3 -46.8 -21.4 3.2 15.4 37 42 A L H 3< S+ 0 0 82 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.618 109.4 60.3 -79.7 -15.1 -22.4 5.8 12.8 38 43 A S H >< S- 0 0 4 -4,-1.1 3,-1.9 1,-0.2 -1,-0.2 0.585 89.4-179.7 -82.1 -13.1 -24.7 3.3 11.0 39 44 A G G X< - 0 0 42 -4,-0.6 3,-1.1 -3,-0.6 4,-0.5 -0.160 61.0 -5.9 53.0-134.1 -26.5 3.2 14.3 40 45 A G G 3 S+ 0 0 69 1,-0.3 -1,-0.3 2,-0.1 -4,-0.1 0.277 118.8 83.3 -78.1 11.7 -29.5 0.8 14.5 41 46 A S G < S+ 0 0 37 -3,-1.9 -1,-0.3 -6,-0.2 -28,-0.2 0.351 95.0 38.9 -96.5 3.6 -29.2 0.1 10.8 42 47 A Y < + 0 0 9 -3,-1.1 2,-0.3 -7,-0.2 -2,-0.1 0.760 51.8 151.8-106.4 -77.1 -26.5 -2.6 11.2 43 48 A S S S- 0 0 95 -4,-0.5 2,-0.7 -8,-0.1 -2,-0.1 -0.585 97.0 -28.7 58.3-126.9 -26.8 -4.9 14.2 44 49 A N S S+ 0 0 98 -2,-0.3 2,-0.7 2,-0.0 -1,-0.1 -0.876 72.9 166.3-113.9 111.5 -25.0 -7.5 12.2 45 50 A I + 0 0 23 -2,-0.7 -2,-0.1 4,-0.3 -4,-0.0 -0.975 22.2 166.0-106.2 125.9 -25.5 -7.2 8.5 46 51 A Y + 0 0 112 -2,-0.7 4,-0.5 2,-0.1 -1,-0.1 0.608 31.1 96.7-127.7 -0.4 -22.8 -9.5 7.5 47 52 A D S S- 0 0 106 1,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.885 121.2 -8.7 -63.1 -45.7 -22.6 -10.8 3.9 48 53 A G S S+ 0 0 15 2,-0.0 10,-0.3 7,-0.0 -1,-0.3 0.009 135.9 78.2-120.0 8.2 -20.1 -8.4 2.3 49 54 A F + 0 0 0 1,-0.2 -4,-0.3 5,-0.1 -2,-0.2 0.096 57.0 95.4-106.1 19.2 -20.5 -6.7 5.6 50 55 A K S S+ 0 0 144 -4,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.805 95.1 16.9 -83.1 -26.1 -18.4 -8.7 7.9 51 56 A S S > S- 0 0 27 -3,-0.3 4,-1.6 -5,-0.1 5,-0.1 -0.901 77.5-111.3-136.6 163.7 -15.4 -6.4 7.6 52 57 A K H > S+ 0 0 21 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.786 119.5 61.0 -64.2 -26.8 -14.6 -2.9 6.4 53 58 A E H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 103.3 48.2 -65.3 -42.9 -12.8 -4.7 3.6 54 59 A G H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.874 109.9 52.5 -64.3 -37.7 -16.0 -6.3 2.4 55 60 A L H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.910 106.2 53.0 -66.7 -43.5 -17.8 -3.0 2.6 56 61 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.916 112.6 44.6 -56.7 -44.4 -15.2 -1.3 0.5 57 62 A F H X S+ 0 0 12 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.853 109.0 55.3 -74.3 -31.4 -15.6 -4.0 -2.2 58 63 A E H X S+ 0 0 54 -4,-2.4 4,-1.5 -10,-0.3 -1,-0.2 0.892 112.7 45.5 -60.2 -39.1 -19.4 -3.9 -2.0 59 64 A I H X S+ 0 0 8 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.931 110.6 50.7 -69.0 -45.8 -18.9 -0.2 -2.7 60 65 A L H X S+ 0 0 14 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.861 103.9 61.9 -60.8 -36.7 -16.5 -0.8 -5.5 61 66 A D H X S+ 0 0 32 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.964 105.5 44.9 -47.5 -58.2 -19.0 -3.2 -6.9 62 67 A D H X S+ 0 0 35 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.874 112.1 52.3 -56.0 -42.2 -21.5 -0.4 -7.4 63 68 A I H X S+ 0 0 28 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.921 110.8 46.1 -66.5 -42.5 -18.9 1.9 -8.8 64 69 A C H X S+ 0 0 25 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.868 109.9 55.8 -69.1 -34.0 -17.8 -0.6 -11.4 65 70 A K H X S+ 0 0 120 -4,-2.5 4,-1.7 -5,-0.3 5,-0.2 0.956 110.9 43.6 -55.7 -52.5 -21.5 -1.4 -12.2 66 71 A K H X S+ 0 0 136 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.821 110.6 56.3 -65.0 -32.5 -22.1 2.3 -12.9 67 72 A H H X S+ 0 0 52 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.908 108.1 48.2 -64.6 -45.9 -18.8 2.6 -14.9 68 73 A F H X S+ 0 0 49 -4,-2.0 4,-3.4 2,-0.2 3,-0.5 0.973 110.9 45.8 -61.8 -62.3 -19.9 -0.3 -17.3 69 74 A H H X S+ 0 0 137 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.903 113.9 52.7 -46.7 -45.7 -23.4 0.8 -18.2 70 75 A L H X S+ 0 0 72 -4,-1.5 4,-1.2 -5,-0.2 -1,-0.2 0.846 113.7 40.4 -63.9 -39.2 -22.1 4.3 -18.7 71 76 A I H X S+ 0 0 1 -4,-1.6 4,-0.9 -3,-0.5 -1,-0.2 0.838 112.2 57.0 -76.8 -36.2 -19.3 3.2 -21.1 72 77 A Y H X S+ 0 0 107 -4,-3.4 4,-4.3 1,-0.2 -2,-0.2 0.828 104.7 55.0 -62.4 -31.3 -21.7 0.7 -22.7 73 78 A S H X S+ 0 0 69 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.939 104.0 48.4 -70.3 -51.2 -24.0 3.7 -23.5 74 79 A K H < S+ 0 0 107 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.745 123.3 40.9 -59.1 -21.4 -21.6 5.9 -25.4 75 80 A T H < S+ 0 0 4 -4,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 0.918 106.9 56.2 -90.4 -58.6 -20.9 2.7 -27.2 76 81 A Q H < S+ 0 0 111 -4,-4.3 2,-1.6 1,-0.3 -3,-0.2 0.868 103.4 59.3 -46.5 -49.0 -24.3 1.1 -27.8 77 82 A E S < S+ 0 0 153 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.3 -0.594 75.8 117.0 -89.4 78.2 -25.6 4.1 -29.5 78 83 A I - 0 0 46 -2,-1.6 2,-1.0 -3,-0.1 3,-0.1 -0.984 68.4-117.1-134.2 144.4 -23.2 4.4 -32.4 79 84 A K S S- 0 0 158 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.705 74.8 -57.6 -87.4 99.9 -24.3 4.1 -36.1 80 85 A N S S- 0 0 169 -2,-1.0 -1,-0.2 1,-0.1 0, 0.0 0.839 86.2-163.8 29.0 54.5 -22.5 1.1 -37.5 81 86 A G - 0 0 18 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 -0.216 16.4-109.6 -69.7 152.7 -19.4 2.8 -36.5 82 87 A T > - 0 0 76 -3,-0.1 4,-1.9 1,-0.1 5,-0.3 -0.164 36.0-101.9 -65.4 170.6 -15.9 2.0 -37.7 83 88 A L H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.945 125.1 56.6 -60.0 -46.1 -13.4 0.4 -35.4 84 89 A K H > S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 108.2 46.4 -47.6 -47.0 -11.8 3.9 -35.1 85 90 A E H > S+ 0 0 93 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.867 115.2 42.7 -73.2 -38.6 -15.1 5.4 -33.9 86 91 A I H X S+ 0 0 7 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.810 114.5 54.5 -74.8 -29.9 -16.0 2.8 -31.3 87 92 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.899 112.8 40.0 -68.1 -43.2 -12.4 2.8 -30.2 88 93 A T H X S+ 0 0 38 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.772 114.3 55.8 -81.1 -22.7 -12.3 6.5 -29.6 89 94 A S H X S+ 0 0 19 -4,-1.5 4,-1.9 -5,-0.2 5,-0.2 0.984 112.3 40.5 -65.5 -59.3 -15.8 6.4 -28.2 90 95 A F H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.931 113.6 56.9 -51.7 -51.6 -14.9 3.8 -25.6 91 96 A G H X S+ 0 0 0 -4,-2.2 4,-3.4 -5,-0.2 5,-0.4 0.921 105.3 48.6 -45.3 -57.5 -11.5 5.6 -25.0 92 97 A L H X S+ 0 0 65 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.924 115.6 43.4 -54.4 -48.9 -13.1 8.9 -24.1 93 98 A A H X S+ 0 0 6 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.900 117.3 47.5 -64.7 -39.9 -15.5 7.4 -21.6 94 99 A F H X S+ 0 0 3 -4,-3.1 4,-1.3 -5,-0.2 -2,-0.2 0.971 114.8 43.3 -64.8 -55.4 -12.8 5.1 -20.2 95 100 A I H X S+ 0 0 4 -4,-3.4 4,-0.6 1,-0.2 -2,-0.2 0.840 110.2 55.8 -63.2 -37.1 -10.2 7.8 -19.8 96 101 A E H >< S+ 0 0 64 -4,-2.2 3,-0.8 -5,-0.4 -1,-0.2 0.900 105.0 55.0 -61.9 -39.0 -12.6 10.4 -18.4 97 102 A I H >< S+ 0 0 14 -4,-1.4 3,-0.7 1,-0.2 6,-0.4 0.876 107.8 47.6 -60.5 -38.0 -13.5 7.9 -15.7 98 103 A F H 3< S+ 0 0 39 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.484 101.8 64.5 -90.0 -0.4 -9.9 7.4 -14.6 99 104 A N T << S+ 0 0 14 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.1 -0.138 79.4 103.5-109.4 35.4 -9.2 11.1 -14.4 100 105 A Q S X> S- 0 0 71 -3,-0.7 4,-1.3 1,-0.1 3,-0.9 -0.932 81.5-123.5-109.5 141.1 -11.7 11.7 -11.6 101 106 A P H 3> S+ 0 0 77 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.755 111.8 64.8 -54.8 -21.4 -10.3 12.2 -8.1 102 107 A E H 3> S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.926 95.8 53.6 -69.2 -44.1 -12.5 9.2 -7.2 103 108 A A H <> S+ 0 0 14 -3,-0.9 4,-2.1 -6,-0.4 -1,-0.2 0.921 114.4 44.0 -51.1 -46.8 -10.6 6.8 -9.4 104 109 A V H X S+ 0 0 16 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.880 109.4 53.9 -67.6 -42.8 -7.4 7.9 -7.5 105 110 A A H X S+ 0 0 36 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.867 116.0 39.3 -65.4 -34.6 -8.9 7.9 -4.0 106 111 A F H X S+ 0 0 18 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.837 110.6 60.9 -79.9 -36.3 -10.1 4.2 -4.4 107 112 A G H X S+ 0 0 4 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.914 103.8 49.7 -49.5 -48.2 -6.8 3.5 -6.3 108 113 A K H X S+ 0 0 81 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.864 108.2 53.3 -63.2 -36.5 -4.9 4.5 -3.1 109 114 A I H < S+ 0 0 13 -4,-0.9 4,-0.5 2,-0.2 -1,-0.2 0.922 111.3 45.8 -66.0 -44.3 -7.1 2.2 -1.0 110 115 A I H >< S+ 0 0 41 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.970 110.8 50.8 -61.1 -58.0 -6.4 -0.8 -3.2 111 116 A Y H >< S+ 0 0 80 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.823 104.5 61.1 -47.6 -35.8 -2.7 -0.3 -3.5 112 117 A S T 3< S+ 0 0 54 -4,-1.6 3,-0.5 1,-0.3 -1,-0.3 0.678 94.0 62.6 -71.1 -16.1 -2.5 0.0 0.4 113 118 A Q T X + 0 0 12 -3,-2.1 3,-1.8 -4,-0.5 -1,-0.3 0.042 64.9 118.8 -94.8 24.7 -3.9 -3.5 0.8 114 119 A V T < S+ 0 0 97 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.768 79.7 42.9 -64.9 -24.6 -0.8 -5.0 -0.9 115 120 A Y T 3 S+ 0 0 220 -3,-0.5 2,-0.6 3,-0.0 -1,-0.3 -0.011 79.3 139.2-110.7 26.8 0.0 -7.0 2.2 116 121 A D < - 0 0 26 -3,-1.8 3,-0.5 1,-0.2 5,-0.1 -0.638 35.3-167.1 -70.5 115.0 -3.5 -8.1 3.0 117 122 A K S S+ 0 0 197 -2,-0.6 -1,-0.2 1,-0.2 -3,-0.0 0.692 85.1 63.7 -79.5 -17.9 -3.2 -11.7 4.2 118 123 A D S S- 0 0 118 -3,-0.0 -1,-0.2 1,-0.0 -2,-0.1 0.678 92.2-149.4 -78.8 -20.2 -7.0 -12.1 3.9 119 124 A R > + 0 0 143 -3,-0.5 4,-1.3 -6,-0.1 5,-0.1 0.885 39.0 154.2 57.8 46.4 -6.8 -11.5 0.1 120 125 A H H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.824 71.9 58.2 -70.5 -30.8 -10.2 -9.9 -0.4 121 126 A L H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.887 102.3 50.3 -68.5 -43.7 -8.8 -8.1 -3.4 122 127 A A H > S+ 0 0 22 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.928 112.3 48.5 -59.7 -46.5 -7.8 -11.3 -5.3 123 128 A N H X S+ 0 0 81 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.930 109.7 52.8 -60.3 -43.9 -11.3 -12.8 -4.7 124 129 A W H < S+ 0 0 29 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.936 115.0 39.1 -60.0 -49.8 -12.9 -9.6 -5.9 125 130 A I H >X S+ 0 0 86 -4,-2.5 3,-1.0 1,-0.2 4,-0.5 0.933 116.2 52.5 -64.7 -44.9 -11.0 -9.5 -9.2 126 131 A E H 3< S+ 0 0 133 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.809 118.9 36.4 -58.8 -31.2 -11.3 -13.3 -9.5 127 132 A N T 3< S+ 0 0 106 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.272 116.1 50.2-109.8 8.1 -15.1 -13.1 -9.1 128 133 A N T X4 + 0 0 20 -3,-1.0 3,-1.9 -4,-0.5 -2,-0.2 0.216 67.9 117.2-128.4 13.4 -15.9 -9.9 -10.8 129 134 A Q G >< S+ 0 0 96 -4,-0.5 3,-1.0 1,-0.3 6,-0.2 0.766 72.9 58.0 -52.1 -33.0 -14.2 -10.5 -14.1 130 135 A Q G 3 S+ 0 0 113 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.703 100.5 58.5 -75.1 -18.5 -17.5 -10.3 -16.1 131 136 A N G < S+ 0 0 57 -3,-1.9 2,-0.3 4,-0.0 -1,-0.2 0.259 80.3 110.7 -97.6 7.6 -18.2 -6.8 -14.8 132 137 A F S X S- 0 0 44 -3,-1.0 3,-1.2 -4,-0.1 4,-0.2 -0.655 72.3-124.1 -87.3 149.4 -15.1 -5.2 -16.1 133 138 A S T >> S+ 0 0 22 -2,-0.3 3,-2.8 1,-0.3 4,-0.6 0.787 100.0 70.4 -62.7 -39.5 -15.3 -2.7 -19.0 134 139 A Y H 3> S+ 0 0 32 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.736 81.4 77.1 -58.0 -23.6 -12.9 -4.3 -21.5 135 140 A N H <> S+ 0 0 33 -3,-1.2 4,-0.9 1,-0.2 -1,-0.3 0.809 91.4 56.8 -55.3 -25.8 -15.5 -7.0 -21.9 136 141 A I H <> S+ 0 0 10 -3,-2.8 4,-1.5 -4,-0.2 -1,-0.2 0.943 110.9 40.0 -66.7 -49.6 -17.3 -4.4 -24.0 137 142 A L H X S+ 0 0 1 -4,-0.6 4,-2.1 1,-0.2 3,-0.3 0.930 112.2 55.7 -65.6 -47.1 -14.2 -3.9 -26.3 138 143 A M H X S+ 0 0 31 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.786 106.4 55.3 -50.9 -30.7 -13.6 -7.7 -26.3 139 144 A G H X S+ 0 0 31 -4,-0.9 4,-0.8 -5,-0.3 -1,-0.2 0.873 106.8 45.9 -74.6 -40.9 -17.2 -7.9 -27.6 140 145 A F H X S+ 0 0 38 -4,-1.5 4,-1.1 -3,-0.3 -2,-0.2 0.829 108.3 59.4 -70.4 -31.6 -16.8 -5.6 -30.5 141 146 A F H >< S+ 0 0 2 -4,-2.1 3,-1.1 1,-0.2 5,-0.3 0.946 102.5 49.5 -63.8 -48.4 -13.5 -7.4 -31.5 142 147 A K H 3< S+ 0 0 98 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.776 105.5 60.6 -65.0 -23.5 -15.0 -10.8 -31.9 143 148 A Q H 3< S+ 0 0 128 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.830 86.2 95.3 -68.8 -32.5 -17.7 -9.1 -34.1 144 149 A Q S << S- 0 0 65 -3,-1.1 2,-1.9 -4,-1.1 6,-0.1 -0.325 84.2-123.9 -65.1 140.1 -15.0 -8.0 -36.5 145 150 A N S S+ 0 0 179 4,-0.1 2,-0.4 5,-0.0 -1,-0.1 -0.362 77.0 110.4 -79.9 57.6 -14.4 -10.2 -39.6 146 151 A N > - 0 0 64 -2,-1.9 4,-2.7 -5,-0.3 5,-0.2 -0.972 58.1-155.1-136.8 118.6 -10.7 -10.5 -38.7 147 152 A S H > S+ 0 0 83 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.837 99.9 50.8 -62.2 -34.7 -9.2 -13.8 -37.5 148 153 A Y H > S+ 0 0 154 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.938 113.9 43.7 -65.0 -48.1 -6.4 -11.9 -35.8 149 154 A M H 4 S+ 0 0 39 1,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.843 116.7 47.1 -66.8 -35.4 -8.9 -9.6 -34.0 150 155 A K H < S+ 0 0 120 -4,-2.7 3,-0.3 2,-0.2 4,-0.2 0.866 114.1 44.2 -78.7 -36.9 -11.2 -12.4 -33.1 151 156 A K H < S+ 0 0 171 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.727 123.2 36.8 -80.8 -21.4 -8.6 -14.8 -31.8 152 157 A N S X S+ 0 0 61 -4,-1.5 4,-2.6 -5,-0.2 5,-0.3 0.301 80.9 123.4-107.6 7.9 -6.8 -12.1 -29.8 153 158 A A H > S+ 0 0 0 -3,-0.3 4,-2.0 1,-0.3 5,-0.2 0.786 74.8 44.0 -43.8 -47.9 -9.9 -10.2 -28.8 154 159 A E H > S+ 0 0 96 2,-0.2 4,-2.6 -4,-0.2 -1,-0.3 0.957 114.7 47.8 -64.5 -50.4 -9.3 -10.4 -25.0 155 160 A K H > S+ 0 0 169 -3,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.842 113.0 50.2 -60.4 -35.1 -5.6 -9.5 -25.2 156 161 A L H X S+ 0 0 19 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.879 108.7 51.6 -69.8 -39.2 -6.4 -6.6 -27.5 157 162 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.958 113.8 43.7 -62.2 -49.4 -9.1 -5.3 -25.2 158 163 A V H X S+ 0 0 66 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.896 112.7 53.9 -62.8 -37.5 -6.7 -5.4 -22.3 159 164 A L H X S+ 0 0 84 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.893 109.9 45.0 -66.9 -42.9 -3.9 -3.9 -24.4 160 165 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.916 112.5 51.1 -67.2 -45.4 -5.9 -0.9 -25.6 161 166 A C H X S+ 0 0 13 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.937 111.4 49.4 -55.6 -50.0 -7.3 -0.2 -22.0 162 167 A T H X S+ 0 0 74 -4,-2.4 4,-3.4 1,-0.2 -2,-0.2 0.914 106.2 54.9 -53.6 -50.5 -3.8 -0.3 -20.7 163 168 A M H < S+ 0 0 51 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.887 115.4 40.2 -53.4 -44.8 -2.4 2.1 -23.4 164 169 A L H < S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.917 127.5 31.2 -68.9 -49.5 -5.0 4.6 -22.4 165 170 A K H X S+ 0 0 57 -4,-3.0 4,-2.0 -5,-0.2 5,-0.3 0.806 96.7 87.9 -70.3 -42.4 -4.8 4.1 -18.7 166 171 A E H X S+ 0 0 54 -4,-3.4 4,-0.7 -5,-0.2 -3,-0.1 0.649 81.0 27.5 -69.9 -44.1 -1.4 3.1 -17.7 167 172 A P H > S+ 0 0 72 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.968 125.1 53.6 -68.1 -38.2 1.6 5.0 -16.8 168 173 A Y H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.821 102.1 46.1 -62.8 -47.5 -0.8 7.6 -15.6 169 174 A H H X S+ 0 0 20 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.893 113.9 54.8 -63.3 -38.0 -3.3 6.1 -13.2 170 175 A H H X S+ 0 0 73 -4,-0.7 4,-2.3 -5,-0.3 -1,-0.2 0.850 110.2 43.5 -64.9 -38.7 -0.4 4.5 -11.5 171 176 A L H X S+ 0 0 72 -4,-1.4 4,-1.9 2,-0.2 6,-1.8 0.846 110.4 56.4 -77.8 -36.5 1.4 7.8 -11.0 172 177 A N H X S+ 0 0 5 -4,-2.3 4,-1.2 4,-0.3 -2,-0.2 0.966 113.0 42.4 -51.4 -54.2 -1.8 9.5 -9.9 173 178 A V H < S+ 0 0 3 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.949 120.6 37.3 -61.8 -54.3 -2.2 6.9 -7.2 174 179 A L H < S+ 0 0 100 -4,-2.3 -3,-0.2 1,-0.2 -1,-0.2 0.890 136.3 10.4 -73.2 -43.5 1.4 6.6 -5.9 175 180 A I H < S- 0 0 120 -4,-1.9 -1,-0.2 -5,-0.2 -3,-0.2 0.233 99.2-110.1-123.4 13.0 2.7 10.2 -6.1 176 181 A N < - 0 0 109 -4,-1.2 -4,-0.3 -5,-0.4 -3,-0.1 0.791 45.2-173.3 63.1 27.3 -0.4 12.2 -6.8 177 182 A A - 0 0 28 -6,-1.8 -1,-0.2 1,-0.1 -2,-0.0 -0.266 36.6 -89.2 -46.5 139.1 0.6 13.1 -10.3 178 183 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.091 42.0-113.3 -51.3 148.1 -1.9 15.6 -11.8 179 184 A L - 0 0 63 -3,-0.1 2,-0.4 1,-0.1 -80,-0.1 -0.334 31.3-102.9 -78.2 165.8 -5.0 14.4 -13.6 180 185 A K - 0 0 32 -85,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.793 29.5-134.7 -88.1 132.1 -5.5 15.0 -17.3 181 186 A N >> - 0 0 90 -2,-0.4 4,-2.1 1,-0.1 3,-0.9 -0.539 36.1 -96.9 -78.9 156.5 -8.0 17.7 -18.3 182 187 A K H 3> S+ 0 0 126 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.777 124.6 56.8 -47.9 -35.2 -10.5 16.8 -21.1 183 188 A K H 3> S+ 0 0 127 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.960 110.6 43.5 -60.5 -49.9 -8.3 18.4 -23.8 184 189 A E H <> S+ 0 0 76 -3,-0.9 4,-2.6 1,-0.2 -2,-0.2 0.833 111.4 56.1 -62.2 -35.6 -5.4 16.2 -22.8 185 190 A Q H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.948 108.8 45.4 -61.3 -51.7 -7.7 13.2 -22.5 186 191 A K H X S+ 0 0 89 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.955 112.5 52.1 -55.8 -53.8 -8.9 13.7 -26.1 187 192 A E H X S+ 0 0 99 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.933 110.4 47.0 -48.5 -56.5 -5.4 14.1 -27.3 188 193 A H H X S+ 0 0 22 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.842 110.2 53.2 -59.5 -37.0 -4.1 11.0 -25.7 189 194 A V H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.967 110.0 46.4 -63.5 -51.3 -7.0 8.9 -27.0 190 195 A E H X S+ 0 0 110 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.948 114.7 50.1 -52.8 -48.1 -6.5 10.0 -30.6 191 196 A F H X S+ 0 0 136 -4,-2.5 4,-2.0 -5,-0.2 5,-0.2 0.935 114.7 40.9 -54.7 -56.3 -2.8 9.3 -30.1 192 197 A V H X S+ 0 0 6 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.915 113.0 54.1 -61.1 -48.7 -3.2 5.8 -28.7 193 198 A V H X S+ 0 0 3 -4,-3.0 4,-1.7 -5,-0.2 -1,-0.2 0.814 109.6 49.5 -56.1 -34.2 -6.0 4.8 -31.1 194 199 A N H X>S+ 0 0 78 -4,-1.9 4,-3.1 -5,-0.3 5,-0.6 0.956 112.4 43.4 -74.9 -50.5 -3.8 5.7 -34.0 195 200 A V H X5S+ 0 0 43 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.929 114.7 54.9 -54.5 -45.0 -0.7 3.7 -33.0 196 201 A F H <5S+ 0 0 39 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.877 118.7 29.5 -57.7 -44.6 -3.1 0.9 -32.0 197 202 A L H <5S+ 0 0 59 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.862 138.3 19.8 -85.3 -35.5 -4.8 0.7 -35.5 198 203 A N H <5S- 0 0 101 -4,-3.1 -3,-0.2 -5,-0.2 3,-0.2 0.474 93.1-137.4-119.8 -10.9 -1.9 1.8 -37.7 199 204 A G << - 0 0 29 -4,-2.5 -1,-0.1 -5,-0.6 -3,-0.1 0.046 36.9 -75.2 69.2 175.2 1.3 1.4 -35.8 200 205 A I S S+ 0 0 137 1,-0.1 2,-1.7 -5,-0.1 -1,-0.2 0.580 103.7 95.8 -89.2 -11.6 4.2 3.9 -35.8 201 206 A N 0 0 160 -3,-0.2 -1,-0.1 -6,-0.1 0, 0.0 -0.579 360.0 360.0 -79.5 83.9 5.5 3.2 -39.3 202 207 A S 0 0 132 -2,-1.7 -4,-0.0 0, 0.0 -3,-0.0 -0.620 360.0 360.0 171.5 360.0 3.6 6.0 -41.1