==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 14-FEB-11 3QPS . COMPND 2 MOLECULE: CMER; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR H.T.LEI,M.D.ROUTH,Z.SHEN,-C.C.SU,Q.ZHANG,E.W.YU . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 73.8 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 . 6 3.0 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 . 123 60.9 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 2 1 0 0 1 1 0 0 1 1 0 0 0 0 1 0 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 91 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 131.1 -41.7 -4.0 1.5 2 7 A P H > + 0 0 104 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.865 360.0 55.9 -55.9 -36.4 -39.3 -5.6 4.0 3 8 A S H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.802 104.1 51.7 -66.6 -35.6 -36.9 -6.2 1.1 4 9 A Q H > S+ 0 0 127 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.908 109.3 51.1 -64.6 -43.1 -36.8 -2.5 0.2 5 10 A K H X S+ 0 0 150 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.912 107.7 52.5 -61.6 -44.4 -36.0 -1.7 3.8 6 11 A V H X S+ 0 0 69 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.940 112.3 44.8 -53.1 -51.0 -33.1 -4.2 3.8 7 12 A L H X S+ 0 0 99 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.850 111.6 53.0 -66.3 -37.3 -31.6 -2.7 0.7 8 13 A A H X S+ 0 0 61 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.921 109.4 49.7 -59.8 -44.6 -32.1 0.8 2.1 9 14 A R H X S+ 0 0 106 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.892 110.1 49.8 -65.1 -39.5 -30.3 -0.2 5.3 10 15 A Q H X S+ 0 0 25 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.890 108.1 54.0 -64.5 -39.0 -27.4 -1.6 3.3 11 16 A E H X S+ 0 0 95 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.856 106.7 52.2 -64.7 -34.7 -27.2 1.6 1.4 12 17 A K H X S+ 0 0 99 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.909 108.5 50.6 -63.3 -45.5 -26.9 3.5 4.6 13 18 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.937 112.6 45.5 -59.7 -46.8 -24.0 1.3 5.8 14 19 A K H X S+ 0 0 11 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.897 110.8 52.4 -67.4 -40.5 -22.1 1.7 2.6 15 20 A A H X S+ 0 0 59 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.898 112.5 46.5 -62.0 -40.5 -22.6 5.5 2.5 16 21 A V H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.951 111.6 51.4 -63.6 -50.0 -21.3 5.7 6.1 17 22 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.906 113.3 45.0 -52.4 -46.2 -18.4 3.5 5.2 18 23 A L H X S+ 0 0 47 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.896 110.3 52.6 -69.5 -43.5 -17.5 5.7 2.2 19 24 A E H X S+ 0 0 132 -4,-2.6 4,-1.8 -5,-0.2 5,-0.3 0.939 113.8 44.9 -55.5 -49.7 -17.9 9.0 4.1 20 25 A L H X>S+ 0 0 17 -4,-2.7 4,-2.6 2,-0.2 5,-1.6 0.965 111.5 51.6 -56.2 -56.6 -15.5 7.6 6.8 21 26 A F H <>S+ 0 0 8 -4,-2.8 5,-0.5 1,-0.3 -1,-0.2 0.848 117.4 39.9 -48.5 -42.2 -13.1 6.3 4.2 22 27 A L H <5S+ 0 0 104 -4,-2.4 -1,-0.3 3,-0.2 -2,-0.2 0.751 127.5 32.2 -78.9 -29.3 -13.0 9.7 2.5 23 28 A T H <5S+ 0 0 111 -4,-1.8 -3,-0.2 -3,-0.4 -2,-0.2 0.908 133.3 23.1 -99.8 -54.4 -13.0 11.7 5.6 24 29 A K T <5S- 0 0 101 -4,-2.6 4,-0.2 -5,-0.3 -3,-0.2 0.728 114.2-106.5 -84.2 -26.5 -11.2 9.8 8.3 25 30 A G T >< - 0 0 19 -5,-1.6 4,-1.9 3,-0.1 -3,-0.2 0.074 18.6-101.3 103.1 140.3 -9.1 7.7 5.8 26 31 A Y T 4 - 0 0 47 -2,-0.3 4,-1.6 1,-0.1 3,-0.3 -0.745 37.2-104.1-111.7 170.3 -12.3 0.5 11.6 31 36 A L H > S+ 0 0 47 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.893 121.1 55.5 -55.4 -39.4 -15.4 -1.6 11.3 32 37 A S H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.851 102.5 54.2 -67.7 -35.4 -16.6 -0.4 14.7 33 38 A D H > S+ 0 0 26 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.899 112.0 47.3 -57.7 -41.6 -16.4 3.3 13.6 34 39 A I H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.944 112.1 47.3 -68.0 -49.9 -18.7 2.2 10.7 35 40 A I H X S+ 0 0 53 -4,-2.9 4,-0.9 2,-0.2 7,-0.2 0.859 109.3 55.8 -57.1 -37.6 -21.1 0.3 12.9 36 41 A K H < S+ 0 0 167 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.934 113.7 38.3 -65.1 -46.9 -21.3 3.2 15.4 37 42 A L H < S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.697 109.3 62.0 -75.8 -21.4 -22.4 5.7 12.8 38 43 A S H >< S+ 0 0 2 -4,-1.7 3,-1.8 1,-0.2 -1,-0.2 0.717 84.9 173.0 -72.5 -20.2 -24.6 3.1 11.0 39 44 A G G >< - 0 0 39 -4,-0.9 3,-1.1 -3,-0.4 -1,-0.2 -0.225 62.8 -5.1 53.2-126.0 -26.5 3.1 14.3 40 45 A G G 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 3,-0.2 0.077 122.3 75.2 -91.5 20.9 -29.7 1.0 14.1 41 46 A S G < S+ 0 0 34 -3,-1.8 2,-0.4 1,-0.2 -1,-0.2 0.404 99.1 51.5-100.5 -9.0 -29.3 0.3 10.4 42 47 A Y < + 0 0 25 -3,-1.1 -1,-0.2 -4,-0.2 3,-0.1 -0.934 54.8 141.4-129.3 107.1 -26.6 -2.1 11.4 43 48 A S S S- 0 0 96 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.691 92.1 -29.7 -94.8 -85.8 -27.5 -4.7 14.1 44 49 A N - 0 0 93 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 -0.991 68.9-154.4-121.9 131.5 -25.6 -7.6 12.6 45 50 A I > - 0 0 10 -2,-0.4 4,-0.5 4,-0.2 3,-0.1 -0.920 13.2-178.9-111.8 111.8 -25.4 -7.5 8.9 46 51 A Y T 4 + 0 0 148 -2,-0.7 2,-2.4 1,-0.2 4,-0.2 0.706 58.7 91.3 -85.5 -25.3 -25.0 -11.0 7.5 47 52 A D T 4 S- 0 0 65 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.311 122.6 -67.5 -76.0 58.2 -24.8 -10.1 3.8 48 53 A G T 4 S+ 0 0 39 -2,-2.4 3,-0.3 1,-0.1 -1,-0.2 0.572 102.8 123.2 75.7 11.1 -21.0 -9.8 3.7 49 54 A F < + 0 0 0 -4,-0.5 -4,-0.2 1,-0.2 -1,-0.1 0.115 34.2 115.0 -88.6 23.3 -21.0 -6.7 5.8 50 55 A K S S+ 0 0 134 -4,-0.2 2,-0.3 -6,-0.1 -1,-0.2 0.308 75.6 18.8 -80.4 6.4 -18.7 -8.5 8.3 51 56 A S S > S- 0 0 30 -3,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.981 73.2-108.6-170.8 159.4 -15.7 -6.2 7.7 52 57 A K H > S+ 0 0 20 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.888 118.1 53.4 -57.2 -41.8 -14.2 -2.9 6.6 53 58 A E H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 108.6 47.9 -62.8 -45.3 -12.7 -4.7 3.6 54 59 A G H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.870 109.3 53.3 -65.3 -39.2 -15.9 -6.3 2.5 55 60 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.954 108.6 50.9 -60.5 -48.8 -17.8 -3.0 2.8 56 61 A F H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 111.0 47.3 -53.3 -45.9 -15.2 -1.4 0.5 57 62 A F H X S+ 0 0 10 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.799 107.7 56.3 -75.3 -22.4 -15.6 -4.2 -2.1 58 63 A E H X S+ 0 0 60 -4,-2.1 4,-1.6 -3,-0.2 -1,-0.2 0.876 109.6 46.6 -63.7 -41.9 -19.4 -3.9 -1.9 59 64 A I H X S+ 0 0 11 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.921 110.5 52.4 -68.7 -41.4 -19.0 -0.2 -2.8 60 65 A L H X S+ 0 0 17 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.865 102.7 59.9 -62.9 -39.7 -16.5 -1.1 -5.5 61 66 A D H X S+ 0 0 47 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.953 107.7 45.0 -47.2 -55.6 -19.0 -3.5 -7.0 62 67 A D H X S+ 0 0 32 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.931 113.7 48.6 -56.4 -49.4 -21.5 -0.7 -7.5 63 68 A I H X S+ 0 0 25 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.925 111.6 49.5 -61.5 -46.0 -18.9 1.7 -9.0 64 69 A C H X S+ 0 0 22 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.935 109.9 52.0 -58.0 -45.9 -17.7 -0.9 -11.3 65 70 A K H X S+ 0 0 101 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.872 111.7 46.0 -61.2 -38.8 -21.3 -1.7 -12.4 66 71 A K H X S+ 0 0 124 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.889 109.8 52.8 -70.9 -42.9 -22.0 2.0 -13.1 67 72 A H H X S+ 0 0 65 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.933 108.7 53.0 -55.4 -45.2 -18.8 2.6 -15.1 68 73 A F H X S+ 0 0 46 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.904 112.0 42.7 -52.7 -50.1 -19.7 -0.4 -17.2 69 74 A H H X S+ 0 0 115 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.878 111.7 53.4 -75.0 -37.5 -23.1 0.9 -18.1 70 75 A L H X S+ 0 0 77 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.884 112.8 45.1 -56.6 -40.0 -22.0 4.4 -18.7 71 76 A I H X S+ 0 0 2 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.835 108.8 56.4 -79.7 -31.3 -19.4 3.1 -21.1 72 77 A Y H X S+ 0 0 101 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.946 106.2 50.8 -60.1 -49.2 -21.8 0.8 -22.8 73 78 A S H X S+ 0 0 42 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.942 105.6 55.2 -55.4 -52.7 -24.2 3.7 -23.6 74 79 A K H < S+ 0 0 90 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 115.6 38.4 -50.3 -43.2 -21.4 5.8 -25.2 75 80 A T H < S+ 0 0 3 -4,-1.5 3,-0.4 -3,-0.2 -1,-0.3 0.774 109.0 63.5 -77.6 -29.1 -20.6 3.0 -27.6 76 81 A Q H < S+ 0 0 100 -4,-2.4 2,-2.6 1,-0.3 -2,-0.2 0.902 88.6 68.9 -63.9 -42.4 -24.2 2.1 -28.0 77 82 A E S < S+ 0 0 103 -4,-2.5 2,-0.5 -5,-0.1 -1,-0.3 -0.187 79.8 116.7 -69.6 47.3 -24.9 5.5 -29.6 78 83 A I - 0 0 45 -2,-2.6 2,-0.9 -3,-0.4 3,-0.1 -0.986 56.5-152.2-124.7 124.7 -22.8 4.3 -32.5 79 84 A K S S- 0 0 151 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.812 76.9 -43.6 -97.5 96.9 -24.3 3.9 -36.0 80 85 A N S S- 0 0 170 -2,-0.9 -1,-0.2 1,-0.1 0, 0.0 0.907 90.1-164.6 44.6 47.8 -22.4 1.2 -37.9 81 86 A G - 0 0 22 -6,-0.2 -1,-0.1 1,-0.1 -3,-0.1 -0.260 17.4-115.3 -66.1 147.1 -19.3 2.8 -36.5 82 87 A T > - 0 0 72 -3,-0.1 4,-2.1 1,-0.1 5,-0.3 -0.240 33.9-104.2 -64.8 168.1 -15.9 2.1 -37.9 83 88 A L H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.930 125.9 55.7 -62.0 -41.4 -13.4 0.4 -35.6 84 89 A K H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 107.8 49.0 -51.0 -45.7 -11.8 3.9 -35.2 85 90 A E H > S+ 0 0 89 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 113.4 41.4 -67.8 -48.8 -15.1 5.4 -34.1 86 91 A I H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.826 114.8 52.9 -74.5 -30.6 -16.1 2.9 -31.4 87 92 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.879 112.8 45.3 -64.6 -42.1 -12.5 2.7 -30.1 88 93 A T H X S+ 0 0 32 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.903 113.0 50.1 -69.5 -42.4 -12.5 6.5 -29.9 89 94 A S H X S+ 0 0 18 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.971 116.6 40.8 -58.2 -56.8 -15.9 6.5 -28.3 90 95 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.915 112.2 57.2 -54.5 -49.4 -14.9 3.9 -25.7 91 96 A G H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.936 107.0 48.1 -46.5 -55.6 -11.5 5.5 -25.2 92 97 A L H X S+ 0 0 65 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.848 114.7 43.4 -57.9 -42.6 -13.0 8.9 -24.3 93 98 A A H X S+ 0 0 6 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.858 117.3 46.8 -74.2 -35.8 -15.5 7.4 -21.7 94 99 A F H X S+ 0 0 6 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.946 113.7 46.2 -69.8 -51.9 -12.8 5.1 -20.2 95 100 A I H X S+ 0 0 4 -4,-3.2 4,-0.5 -5,-0.3 -2,-0.2 0.837 110.1 54.6 -61.6 -34.8 -10.1 7.7 -19.9 96 101 A E H >< S+ 0 0 70 -4,-1.5 3,-0.7 -5,-0.3 -1,-0.2 0.891 104.6 55.1 -66.0 -42.3 -12.6 10.3 -18.4 97 102 A I H >< S+ 0 0 12 -4,-1.4 3,-1.0 1,-0.2 6,-0.4 0.916 107.6 48.1 -54.8 -47.4 -13.5 7.8 -15.7 98 103 A F H 3< S+ 0 0 41 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.553 102.1 66.2 -78.7 -4.6 -9.9 7.3 -14.6 99 104 A N T << S+ 0 0 14 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.1 -0.001 79.5 98.5-103.8 30.4 -9.3 11.1 -14.5 100 105 A Q S X> S- 0 0 68 -3,-1.0 4,-1.2 1,-0.1 3,-0.7 -0.901 80.8-124.0-107.5 144.7 -11.7 11.7 -11.6 101 106 A P H 3> S+ 0 0 81 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.784 109.9 67.7 -54.4 -28.1 -10.4 12.1 -8.0 102 107 A E H 3> S+ 0 0 111 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.958 97.4 49.8 -56.5 -52.1 -12.7 9.3 -7.1 103 108 A A H <> S+ 0 0 14 -3,-0.7 4,-2.0 -6,-0.4 -1,-0.2 0.850 112.8 46.9 -58.5 -40.4 -10.7 6.8 -9.2 104 109 A V H X S+ 0 0 12 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.888 110.3 52.8 -68.2 -41.1 -7.4 7.9 -7.5 105 110 A A H X S+ 0 0 39 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.953 113.8 41.5 -61.9 -48.2 -8.8 7.8 -4.0 106 111 A F H X S+ 0 0 25 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.885 110.7 60.2 -64.8 -38.1 -10.1 4.2 -4.5 107 112 A G H X S+ 0 0 5 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.917 103.0 50.2 -48.4 -51.5 -6.8 3.5 -6.2 108 113 A K H X S+ 0 0 85 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.862 107.9 53.3 -58.2 -41.3 -4.9 4.4 -3.1 109 114 A I H X S+ 0 0 13 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.921 110.4 46.8 -61.1 -46.7 -7.1 2.2 -0.9 110 115 A I H >< S+ 0 0 44 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.950 110.4 51.6 -61.2 -50.6 -6.4 -0.8 -3.1 111 116 A Y H >< S+ 0 0 76 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.819 104.4 59.1 -56.2 -33.9 -2.6 -0.2 -3.2 112 117 A S H 3< S+ 0 0 47 -4,-1.7 3,-0.5 1,-0.3 -1,-0.3 0.664 95.5 63.1 -72.7 -16.3 -2.6 -0.0 0.6 113 118 A Q T X< + 0 0 8 -3,-1.8 3,-0.6 -4,-0.5 -1,-0.3 0.094 67.2 114.4 -91.8 19.3 -4.0 -3.6 0.8 114 119 A V T < S+ 0 0 108 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.853 84.1 35.0 -60.4 -33.2 -0.8 -4.9 -0.9 115 120 A Y T 3 S+ 0 0 212 -3,-0.5 -1,-0.2 3,-0.0 2,-0.2 0.403 81.6 132.3-102.4 0.7 0.1 -6.8 2.3 116 121 A D X - 0 0 58 -3,-0.6 3,-0.9 1,-0.2 5,-0.1 -0.366 47.4-153.5 -53.9 120.5 -3.4 -7.8 3.5 117 122 A K T 3 S+ 0 0 205 1,-0.2 -1,-0.2 -2,-0.2 -3,-0.0 0.510 87.0 69.7 -77.8 -2.7 -3.2 -11.5 4.4 118 123 A D T 3 S- 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.699 82.0-154.3 -86.4 -23.9 -6.9 -11.8 3.7 119 124 A R <> + 0 0 126 -3,-0.9 4,-1.6 -6,-0.2 5,-0.1 0.865 38.4 150.1 42.4 50.2 -6.8 -11.3 -0.1 120 125 A H H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.802 73.6 61.1 -66.7 -29.4 -10.4 -10.0 -0.5 121 126 A L H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.930 102.2 46.7 -66.6 -46.0 -8.9 -8.1 -3.4 122 127 A A H > S+ 0 0 32 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.937 114.1 49.0 -60.2 -47.7 -7.9 -11.3 -5.3 123 128 A N H X S+ 0 0 71 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.930 110.0 51.8 -56.6 -46.6 -11.3 -12.8 -4.7 124 129 A W H < S+ 0 0 30 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.925 114.7 41.3 -58.4 -46.8 -13.0 -9.6 -5.8 125 130 A I H >< S+ 0 0 81 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.947 117.3 47.4 -67.8 -46.1 -11.1 -9.5 -9.1 126 131 A E H >< S+ 0 0 125 -4,-3.1 3,-0.6 1,-0.3 -2,-0.2 0.895 112.5 51.7 -58.5 -39.7 -11.3 -13.3 -9.7 127 132 A N T 3< S+ 0 0 116 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.198 117.5 31.0 -95.4 14.0 -15.0 -13.2 -9.0 128 133 A N T X + 0 0 11 -3,-1.3 3,-0.9 -4,-0.1 -1,-0.2 0.096 62.4 129.0-160.1 47.4 -16.1 -10.5 -11.3 129 134 A Q G X S+ 0 0 90 -3,-0.6 3,-1.6 1,-0.2 6,-0.2 0.796 75.6 66.0 -59.2 -31.7 -14.0 -10.3 -14.4 130 135 A Q G 3 S+ 0 0 111 1,-0.3 -1,-0.2 4,-0.1 5,-0.1 0.784 94.8 58.6 -65.8 -26.3 -17.3 -10.3 -16.4 131 136 A N G < S+ 0 0 62 -3,-0.9 2,-0.3 4,-0.1 -1,-0.3 0.419 81.8 109.2 -84.5 -0.6 -18.1 -6.9 -14.9 132 137 A F S X S- 0 0 42 -3,-1.6 3,-1.8 1,-0.1 4,-0.3 -0.597 73.6-127.3 -84.6 143.2 -15.0 -5.2 -16.2 133 138 A S T >> S+ 0 0 19 -2,-0.3 3,-1.5 1,-0.3 4,-0.9 0.709 100.5 75.1 -62.2 -23.5 -15.4 -2.6 -19.0 134 139 A Y H 3> S+ 0 0 31 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.794 83.5 70.6 -60.2 -27.2 -12.8 -4.3 -21.3 135 140 A N H <> S+ 0 0 32 -3,-1.8 4,-1.7 -6,-0.2 -1,-0.3 0.831 91.8 57.6 -53.9 -37.8 -15.4 -6.9 -22.0 136 141 A I H <> S+ 0 0 10 -3,-1.5 4,-1.1 -4,-0.3 -1,-0.2 0.946 109.3 43.9 -58.2 -50.2 -17.3 -4.3 -24.0 137 142 A L H X S+ 0 0 0 -4,-0.9 4,-1.8 1,-0.2 3,-0.3 0.875 108.8 58.3 -61.1 -40.4 -14.3 -3.8 -26.3 138 143 A M H X S+ 0 0 26 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.877 100.8 58.7 -56.5 -39.6 -13.8 -7.6 -26.5 139 144 A G H X S+ 0 0 31 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.848 105.5 45.6 -62.8 -40.0 -17.3 -7.9 -27.9 140 145 A F H >< S+ 0 0 39 -4,-1.1 3,-0.8 -3,-0.3 4,-0.4 0.897 106.0 60.8 -70.8 -38.4 -16.7 -5.7 -30.9 141 146 A F H >< S+ 0 0 2 -4,-1.8 3,-1.2 1,-0.3 5,-0.3 0.885 104.1 49.6 -56.2 -41.0 -13.4 -7.3 -31.7 142 147 A K H 3< S+ 0 0 97 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.748 104.3 59.7 -69.7 -24.8 -15.2 -10.7 -32.2 143 148 A Q T << S+ 0 0 140 -3,-0.8 2,-0.5 -4,-0.7 -1,-0.3 0.466 83.5 99.6 -85.4 -0.7 -17.7 -9.0 -34.5 144 149 A Q S < S- 0 0 59 -3,-1.2 2,-1.7 -4,-0.4 6,-0.1 -0.753 79.8-133.1 -83.1 129.6 -14.9 -8.0 -36.8 145 150 A N S S+ 0 0 176 -2,-0.5 2,-0.4 4,-0.1 -1,-0.1 -0.192 76.1 111.5 -74.9 45.5 -14.7 -10.4 -39.7 146 151 A N > - 0 0 65 -2,-1.7 4,-1.4 -5,-0.3 -2,-0.1 -0.988 61.2-153.0-123.0 127.9 -10.9 -10.4 -39.0 147 152 A S H > S+ 0 0 101 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.837 96.5 52.5 -75.1 -33.0 -9.4 -13.6 -37.7 148 153 A Y H > S+ 0 0 130 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.852 110.8 49.1 -65.6 -35.6 -6.5 -11.8 -35.9 149 154 A M H 4 S+ 0 0 43 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.785 114.5 43.7 -77.5 -29.5 -9.0 -9.6 -34.1 150 155 A K H < S+ 0 0 121 -4,-1.4 3,-0.5 2,-0.2 4,-0.2 0.865 112.6 48.6 -84.5 -38.9 -11.3 -12.4 -33.0 151 156 A K H < S+ 0 0 151 -4,-2.0 -2,-0.2 1,-0.2 3,-0.1 0.769 124.4 32.7 -70.0 -26.7 -8.7 -14.9 -31.8 152 157 A N S X S+ 0 0 40 -4,-1.0 4,-2.5 -5,-0.2 3,-0.4 0.302 82.3 122.8-110.6 7.8 -6.9 -12.2 -29.8 153 158 A A H > S+ 0 0 1 -3,-0.5 4,-1.7 1,-0.3 5,-0.1 0.755 75.6 45.2 -49.8 -42.9 -9.9 -10.2 -28.9 154 159 A E H > S+ 0 0 90 -4,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.952 114.8 48.2 -64.5 -47.1 -9.5 -10.4 -25.1 155 160 A K H > S+ 0 0 166 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.863 112.5 49.4 -64.0 -33.7 -5.8 -9.6 -25.3 156 161 A L H X S+ 0 0 17 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.861 108.8 52.1 -72.7 -35.0 -6.4 -6.6 -27.7 157 162 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 5,-0.2 0.918 112.3 45.7 -67.6 -43.0 -9.1 -5.2 -25.4 158 163 A V H X S+ 0 0 63 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.943 111.5 53.1 -68.2 -42.8 -6.7 -5.3 -22.5 159 164 A L H X S+ 0 0 83 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.918 109.4 48.1 -52.9 -50.0 -3.9 -3.8 -24.5 160 165 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.926 112.5 45.5 -63.7 -49.5 -5.9 -0.9 -25.6 161 166 A C H X S+ 0 0 17 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.889 112.0 54.6 -64.5 -35.0 -7.3 0.1 -22.2 162 167 A T H X S+ 0 0 69 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.930 106.1 51.3 -60.0 -46.3 -3.8 -0.3 -20.8 163 168 A M H < S+ 0 0 53 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.1 44.0 -58.2 -37.2 -2.4 2.1 -23.4 164 169 A L H < S+ 0 0 3 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.880 122.6 35.9 -69.2 -42.7 -5.1 4.6 -22.4 165 170 A K H X S+ 0 0 58 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.853 93.7 109.6 -90.9 -41.5 -4.7 4.1 -18.7 166 171 A E T < S+ 0 0 64 -4,-2.7 -1,-0.0 1,-0.3 0, 0.0 -0.737 77.1 1.9-111.7 153.7 -1.1 3.5 -17.7 167 172 A P T > S+ 0 0 73 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 -0.963 121.1 67.8 -88.6 15.8 1.3 4.6 -16.4 168 173 A Y H > S+ 0 0 89 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.909 99.3 46.7 -65.0 -49.4 -0.8 7.6 -15.6 169 174 A H H X S+ 0 0 18 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.932 111.8 54.3 -56.4 -47.8 -3.3 6.1 -13.1 170 175 A H H > S+ 0 0 76 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.904 112.0 42.4 -49.6 -47.7 -0.3 4.5 -11.4 171 176 A L H X S+ 0 0 68 -4,-1.9 4,-2.0 2,-0.2 6,-1.9 0.865 111.7 54.9 -74.6 -36.7 1.4 7.8 -11.0 172 177 A N H X S+ 0 0 7 -4,-3.2 4,-1.0 4,-0.3 -2,-0.2 0.929 116.1 39.4 -53.2 -47.1 -1.8 9.5 -10.0 173 178 A V H < S+ 0 0 3 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.945 120.0 42.0 -75.0 -50.4 -2.2 6.9 -7.2 174 179 A L H < S+ 0 0 90 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.859 137.3 4.4 -65.4 -43.4 1.4 6.6 -6.1 175 180 A I H < S- 0 0 119 -4,-2.0 -1,-0.2 -5,-0.2 -3,-0.2 0.263 99.4-106.4-133.7 10.5 2.6 10.2 -6.0 176 181 A N < - 0 0 107 -4,-1.0 -4,-0.3 -5,-0.4 -3,-0.1 0.822 45.3-173.2 63.8 33.0 -0.5 12.2 -6.9 177 182 A A - 0 0 27 -6,-1.9 -1,-0.2 -9,-0.1 -2,-0.0 -0.308 38.9 -90.0 -47.9 140.1 0.6 13.1 -10.4 178 183 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.185 42.3-113.1 -56.4 145.7 -2.0 15.6 -11.7 179 184 A L - 0 0 57 -3,-0.1 2,-0.4 1,-0.1 -80,-0.1 -0.304 32.6-102.2 -72.5 163.6 -5.0 14.3 -13.6 180 185 A K - 0 0 33 -85,-0.2 2,-0.1 4,-0.0 -1,-0.1 -0.769 30.3-139.3 -84.3 132.3 -5.5 14.9 -17.3 181 186 A N > - 0 0 91 -2,-0.4 4,-1.9 1,-0.1 3,-0.2 -0.400 38.0 -89.0 -76.5 170.3 -8.0 17.7 -18.3 182 187 A K H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.772 124.3 52.2 -53.5 -38.8 -10.4 17.0 -21.2 183 188 A K H > S+ 0 0 145 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.964 112.5 46.5 -62.9 -50.2 -8.1 18.4 -24.0 184 189 A E H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.811 110.7 53.8 -60.4 -37.3 -5.3 16.1 -22.8 185 190 A Q H X S+ 0 0 10 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.978 111.8 42.9 -59.0 -61.0 -7.7 13.2 -22.6 186 191 A K H X S+ 0 0 103 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.901 113.8 53.9 -50.0 -46.7 -8.9 13.6 -26.2 187 192 A E H X S+ 0 0 98 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.957 111.0 44.6 -56.8 -50.8 -5.3 14.2 -27.3 188 193 A H H X S+ 0 0 23 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.855 111.0 53.1 -65.8 -37.3 -4.1 10.9 -25.6 189 194 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.963 111.8 45.7 -61.1 -50.1 -7.0 8.9 -27.0 190 195 A E H X S+ 0 0 86 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.919 112.3 51.6 -58.2 -45.9 -6.3 10.0 -30.5 191 196 A F H X S+ 0 0 143 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.944 115.5 41.9 -52.5 -50.6 -2.6 9.4 -30.1 192 197 A V H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.852 111.0 53.7 -69.1 -42.1 -3.3 5.8 -28.8 193 198 A V H X S+ 0 0 1 -4,-3.0 4,-2.4 2,-0.2 5,-0.3 0.873 108.5 52.3 -61.7 -38.8 -6.0 4.9 -31.3 194 199 A N H X S+ 0 0 77 -4,-2.0 4,-3.5 -5,-0.3 5,-0.5 0.977 112.9 41.6 -61.8 -55.8 -3.7 5.8 -34.2 195 200 A V H X S+ 0 0 43 -4,-1.7 4,-2.3 3,-0.2 -2,-0.2 0.901 116.2 51.1 -56.5 -46.5 -0.8 3.7 -33.0 196 201 A F H < S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.903 121.5 31.0 -59.8 -46.5 -3.1 0.8 -32.1 197 202 A L H < S+ 0 0 57 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.874 137.3 20.9 -79.9 -35.5 -4.9 0.8 -35.5 198 203 A N H < S- 0 0 96 -4,-3.5 -3,-0.2 -5,-0.3 3,-0.2 0.526 90.8-133.1-119.3 -14.8 -2.0 1.9 -37.7 199 204 A G < - 0 0 30 -4,-2.3 -1,-0.1 -5,-0.5 -3,-0.1 0.045 39.7 -78.9 73.8 168.6 1.4 1.3 -36.0 200 205 A I S S+ 0 0 139 1,-0.1 2,-1.6 -5,-0.1 -1,-0.2 0.550 105.8 97.1 -85.6 -4.9 4.1 4.0 -35.9 201 206 A N 0 0 159 -3,-0.2 -1,-0.1 -6,-0.1 0, 0.0 -0.603 360.0 360.0 -83.3 83.9 5.2 3.3 -39.5 202 207 A S 0 0 124 -2,-1.6 -4,-0.0 0, 0.0 -3,-0.0 -0.786 360.0 360.0 169.3 360.0 3.2 6.1 -41.1