==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 12-JUL-04 1TZV . COMPND 2 MOLECULE: N UTILIZATION SUBSTANCE PROTEIN B HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR I.BONIN,R.ROBELEK,H.BENECKE,H.URLAUB,A.BACHER,G.RICHTER,M.C. . 141 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 59.6 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+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 0 1 1 0 0 0 0 0 2 2 0 1 0 0 0 0 0 0 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 M 0 0 226 0, 0.0 2,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 38.3 8.1 -9.2 49.0 2 2 A K - 0 0 178 1,-0.1 37,-0.0 37,-0.1 0, 0.0 -0.485 360.0-112.7 -68.0 142.3 9.9 -6.2 50.4 3 3 A T - 0 0 18 -2,-0.1 -1,-0.1 1,-0.1 36,-0.1 -0.687 35.0-125.4 -81.1 121.4 11.8 -4.4 47.7 4 4 A P >> - 0 0 77 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.326 12.6-119.2 -68.6 152.1 15.5 -4.9 48.3 5 5 A R H 3> S+ 0 0 106 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.865 113.1 59.7 -53.8 -40.6 17.9 -1.9 48.5 6 6 A R H 3> S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.869 107.6 43.8 -59.4 -38.5 19.8 -3.2 45.5 7 7 A R H <> S+ 0 0 93 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.877 112.3 52.2 -74.8 -38.5 16.7 -3.1 43.3 8 8 A M H X S+ 0 0 6 -4,-2.2 4,-1.4 1,-0.2 3,-0.4 0.958 112.8 46.1 -59.2 -49.9 15.7 0.4 44.5 9 9 A R H X S+ 0 0 6 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.855 108.0 56.2 -63.6 -36.1 19.2 1.7 43.8 10 10 A L H X S+ 0 0 33 -4,-1.7 4,-3.0 -5,-0.2 -1,-0.2 0.842 102.7 55.8 -65.2 -32.4 19.2 0.0 40.3 11 11 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.4 -1,-0.2 0.904 107.7 49.2 -65.4 -39.7 16.0 1.9 39.4 12 12 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.945 112.2 48.5 -61.9 -47.2 17.8 5.2 40.3 13 13 A F H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.923 109.0 52.8 -60.0 -45.3 20.7 4.1 38.1 14 14 A K H X S+ 0 0 72 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.879 107.8 51.1 -59.8 -37.1 18.4 3.1 35.2 15 15 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.935 112.2 46.7 -65.4 -43.4 16.8 6.6 35.3 16 16 A L H X S+ 0 0 6 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.921 113.4 49.5 -62.0 -44.9 20.3 8.2 35.2 17 17 A F H >< S+ 0 0 70 -4,-2.9 3,-0.9 1,-0.2 4,-0.3 0.944 112.6 46.4 -60.1 -50.4 21.3 5.9 32.4 18 18 A Q H >< S+ 0 0 72 -4,-2.8 3,-1.7 1,-0.2 4,-0.4 0.864 103.1 63.4 -63.8 -33.0 18.2 6.6 30.3 19 19 A H H >< S+ 0 0 49 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.803 87.7 71.4 -63.1 -26.7 18.4 10.3 30.8 20 20 A E T << S+ 0 0 15 -4,-0.9 -1,-0.3 -3,-0.9 3,-0.2 0.747 109.0 34.2 -60.7 -20.7 21.7 10.4 28.9 21 21 A F T < S+ 0 0 140 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.307 121.3 48.9-114.0 4.3 19.7 9.7 25.7 22 22 A R X + 0 0 48 -3,-1.2 3,-2.0 -4,-0.4 -1,-0.2 -0.376 64.3 153.5-139.4 53.9 16.7 11.7 26.7 23 23 A R T 3 + 0 0 176 1,-0.3 4,-0.1 -3,-0.2 -1,-0.1 0.604 67.8 61.5 -65.7 -14.0 18.3 15.0 27.9 24 24 A D T 3 S+ 0 0 143 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.453 94.2 83.1 -89.8 -4.1 15.2 17.1 27.1 25 25 A E S < S- 0 0 66 -3,-2.0 2,-0.4 -6,-0.2 -3,-0.1 -0.735 89.0-103.5-104.5 153.3 13.2 15.1 29.6 26 26 A D >> - 0 0 73 -2,-0.3 4,-2.0 1,-0.2 3,-0.7 -0.569 21.8-138.6 -74.6 127.0 12.9 15.5 33.4 27 27 A L H 3> S+ 0 0 19 -2,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.846 104.4 58.8 -53.9 -35.5 14.9 12.9 35.2 28 28 A E H 3> S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.894 104.6 48.8 -63.6 -39.6 12.0 12.6 37.7 29 29 A Q H <> S+ 0 0 116 -3,-0.7 4,-1.2 2,-0.2 -2,-0.2 0.888 108.3 53.9 -67.5 -38.9 9.6 11.7 34.9 30 30 A I H >X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 3,-0.7 0.928 106.9 51.8 -61.3 -42.8 12.0 9.0 33.6 31 31 A L H 3X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 3,-0.5 0.907 103.9 58.2 -60.8 -40.0 12.1 7.5 37.0 32 32 A E H 3< S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.794 102.2 53.9 -61.2 -27.2 8.3 7.4 37.2 33 33 A E H << S+ 0 0 115 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.849 112.3 45.0 -73.0 -33.0 8.2 5.2 34.0 34 34 A I H < S+ 0 0 21 -4,-1.2 -2,-0.2 -3,-0.5 2,-0.2 0.892 99.2 78.6 -76.6 -43.2 10.6 2.7 35.7 35 35 A L < + 0 0 11 -4,-2.7 2,-0.2 -5,-0.1 9,-0.0 -0.484 62.0 143.0 -70.4 133.5 8.8 2.6 39.0 36 36 A D > - 0 0 54 -2,-0.2 3,-2.2 4,-0.0 8,-0.1 -0.792 66.0 -56.1-150.4-165.6 5.7 0.4 38.9 37 37 A E T 3 S+ 0 0 162 1,-0.3 -2,-0.1 -2,-0.2 0, 0.0 0.687 121.7 69.8 -57.9 -21.1 3.7 -2.1 40.9 38 38 A T T 3 S+ 0 0 70 2,-0.1 2,-0.5 -35,-0.0 -1,-0.3 0.603 89.5 73.5 -75.9 -8.4 6.8 -4.3 41.4 39 39 A Y S < S- 0 0 7 -3,-2.2 -37,-0.1 -36,-0.1 2,-0.0 -0.898 82.1-132.3-106.4 132.0 8.3 -1.6 43.7 40 40 A D > - 0 0 48 -2,-0.5 4,-2.4 -39,-0.1 5,-0.3 -0.247 31.1 -95.1 -78.7 169.3 6.9 -1.1 47.2 41 41 A K H > S+ 0 0 171 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.880 124.4 48.2 -49.2 -45.9 6.0 2.2 48.8 42 42 A K H > S+ 0 0 115 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.906 110.2 50.8 -64.9 -43.5 9.4 2.6 50.5 43 43 A A H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.892 111.7 48.2 -64.1 -37.3 11.4 1.7 47.4 44 44 A K H X S+ 0 0 55 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.923 112.9 48.2 -67.6 -43.3 9.4 4.3 45.4 45 45 A E H X S+ 0 0 99 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.939 114.9 45.5 -59.9 -49.1 9.9 6.9 48.1 46 46 A D H X S+ 0 0 15 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.943 112.1 49.6 -62.4 -48.8 13.7 6.2 48.4 47 47 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.913 111.7 50.0 -58.5 -42.0 14.3 6.2 44.6 48 48 A R H X S+ 0 0 93 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.902 110.4 49.3 -63.2 -42.1 12.4 9.5 44.2 49 49 A R H X S+ 0 0 90 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.925 112.1 49.7 -63.0 -45.0 14.5 11.1 47.1 50 50 A Y H X S+ 0 0 5 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.951 112.1 46.4 -57.2 -52.5 17.7 9.8 45.4 51 51 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.920 114.9 46.2 -61.4 -42.1 16.8 11.1 42.0 52 52 A R H X S+ 0 0 159 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.905 113.2 50.9 -67.8 -36.1 15.8 14.5 43.4 53 53 A G H X S+ 0 0 13 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.876 111.5 46.3 -66.7 -39.1 18.9 14.7 45.5 54 54 A I H < S+ 0 0 2 -4,-2.7 4,-0.5 2,-0.2 -2,-0.2 0.928 114.3 48.3 -70.3 -41.9 21.2 13.9 42.6 55 55 A K H >< S+ 0 0 88 -4,-2.5 3,-0.8 -5,-0.2 4,-0.3 0.931 113.1 47.5 -63.3 -43.5 19.4 16.4 40.4 56 56 A E H 3< S+ 0 0 150 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.784 123.3 32.7 -67.5 -30.2 19.6 19.1 43.1 57 57 A N T 3X S+ 0 0 38 -4,-1.6 4,-2.8 -5,-0.2 -1,-0.2 0.171 81.0 120.5-113.3 18.7 23.3 18.5 43.8 58 58 A L H <> S+ 0 0 60 -3,-0.8 4,-3.1 -4,-0.5 5,-0.3 0.880 75.9 47.2 -53.9 -47.8 24.5 17.5 40.3 59 59 A S H > S+ 0 0 105 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.930 115.2 45.1 -60.8 -47.3 27.1 20.3 39.9 60 60 A M H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 115.5 48.4 -64.0 -40.4 28.6 19.8 43.3 61 61 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.952 114.6 44.0 -65.2 -49.5 28.6 16.0 42.8 62 62 A D H X S+ 0 0 31 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.919 113.4 51.9 -61.8 -43.6 30.2 16.2 39.4 63 63 A D H X S+ 0 0 81 -4,-2.6 4,-0.7 -5,-0.3 -1,-0.2 0.882 110.8 48.5 -59.8 -40.3 32.7 18.8 40.5 64 64 A L H >< S+ 0 0 7 -4,-2.0 3,-1.2 -5,-0.2 4,-0.2 0.946 111.0 48.7 -68.0 -47.9 33.7 16.6 43.5 65 65 A I H >< S+ 0 0 0 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.918 105.0 60.5 -58.0 -41.5 34.2 13.4 41.4 66 66 A S H >< S+ 0 0 54 -4,-2.5 3,-1.3 1,-0.3 -1,-0.3 0.736 89.2 70.6 -60.2 -23.5 36.3 15.4 38.9 67 67 A R T << S+ 0 0 152 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.569 103.0 44.9 -70.7 -6.5 38.8 16.2 41.7 68 68 A Y T < S+ 0 0 20 -3,-2.3 2,-0.3 -4,-0.2 -1,-0.3 0.320 99.5 85.2-116.2 5.3 39.8 12.5 41.5 69 69 A L < + 0 0 25 -3,-1.3 4,-0.1 -4,-0.2 5,-0.1 -0.845 34.2 143.0-110.5 144.9 39.9 12.2 37.7 70 70 A E S S+ 0 0 195 -2,-0.3 -1,-0.1 3,-0.1 -2,-0.0 0.387 75.6 38.0-139.1 -67.6 42.9 13.0 35.5 71 71 A K S S+ 0 0 166 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 0.916 125.5 40.2 -58.6 -44.1 43.5 10.6 32.5 72 72 A W S S- 0 0 103 3,-0.0 2,-0.3 2,-0.0 3,-0.0 -0.768 77.5-146.0-105.3 148.8 39.7 10.5 32.1 73 73 A S >> - 0 0 36 -2,-0.3 4,-1.1 1,-0.1 3,-0.9 -0.794 31.5-110.1-106.7 158.2 37.3 13.4 32.4 74 74 A L G >4 S+ 0 0 15 -2,-0.3 3,-0.6 1,-0.3 8,-0.1 0.889 119.6 52.1 -55.5 -38.9 33.8 12.7 33.8 75 75 A N G 34 S+ 0 0 121 1,-0.2 -1,-0.3 7,-0.1 7,-0.1 0.745 106.6 52.9 -71.9 -21.9 32.3 13.4 30.3 76 76 A R G <4 S+ 0 0 128 -3,-0.9 -1,-0.2 2,-0.0 -2,-0.2 0.619 89.3 94.2 -89.1 -15.2 34.6 10.9 28.6 77 77 A L S << S- 0 0 12 -4,-1.1 -3,-0.0 -3,-0.6 2,-0.0 -0.308 91.5 -88.9 -68.0 163.8 33.8 8.0 31.0 78 78 A S > - 0 0 56 1,-0.1 4,-2.6 4,-0.0 5,-0.3 -0.267 35.9-107.5 -69.6 161.3 31.0 5.7 29.8 79 79 A V H > S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.865 120.9 52.4 -58.7 -33.4 27.4 6.5 30.7 80 80 A V H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.971 111.9 41.3 -68.5 -52.8 27.6 3.6 33.2 81 81 A D H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 114.3 51.8 -65.4 -40.9 30.7 4.7 35.1 82 82 A R H X S+ 0 0 20 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.944 116.0 40.7 -59.7 -45.7 29.8 8.4 35.1 83 83 A N H X S+ 0 0 2 -4,-1.7 4,-2.7 -5,-0.3 -2,-0.2 0.833 111.0 55.0 -78.2 -28.4 26.4 7.7 36.6 84 84 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.930 110.9 48.2 -65.8 -42.2 27.5 4.9 39.0 85 85 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.923 112.5 47.9 -64.1 -41.1 30.0 7.5 40.4 86 86 A R H X S+ 0 0 34 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.950 114.6 46.0 -62.0 -48.2 27.3 10.2 40.6 87 87 A L H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.924 115.4 45.3 -60.9 -48.3 24.9 7.8 42.4 88 88 A A H X S+ 0 0 3 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.871 112.4 51.0 -65.8 -38.9 27.5 6.5 44.8 89 89 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.928 110.9 49.4 -66.2 -42.5 28.8 10.0 45.6 90 90 A Y H X S+ 0 0 11 -4,-2.4 4,-2.9 -5,-0.2 5,-0.5 0.947 113.7 45.8 -58.3 -49.1 25.3 11.1 46.4 91 91 A E H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.923 111.9 51.6 -62.3 -44.5 24.7 8.1 48.6 92 92 A L H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.928 119.6 34.8 -55.9 -48.9 28.0 8.5 50.4 93 93 A L H < S+ 0 0 39 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.869 131.3 22.8 -77.9 -37.0 27.4 12.2 51.2 94 94 A F H < S+ 0 0 84 -4,-2.9 2,-1.1 -5,-0.3 -3,-0.2 0.632 99.1 77.1-112.1 -19.3 23.6 12.3 51.8 95 95 A E >< - 0 0 13 -4,-1.7 3,-1.1 -5,-0.5 2,-0.2 -0.770 63.7-167.2 -99.7 91.1 22.2 9.0 52.8 96 96 A K T 3 + 0 0 61 -2,-1.1 -3,-0.1 1,-0.2 -4,-0.0 -0.586 70.0 47.1 -75.9 142.1 23.2 8.7 56.4 97 97 A D T 3 S+ 0 0 122 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.066 85.0 104.6 111.9 -17.8 22.8 5.1 57.8 98 98 A I S < S- 0 0 13 -3,-1.1 -1,-0.3 -7,-0.2 -3,-0.1 -0.847 73.7-126.0 -97.3 116.9 24.4 3.4 54.8 99 99 A P >> - 0 0 68 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.290 16.7-120.9 -60.6 146.2 28.0 2.2 55.6 100 100 A I H 3> S+ 0 0 43 39,-0.3 4,-2.7 1,-0.3 5,-0.2 0.909 113.2 56.1 -52.0 -46.6 30.7 3.4 53.3 101 101 A E H 3> S+ 0 0 143 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.848 106.1 50.4 -57.7 -37.3 31.5 -0.3 52.4 102 102 A V H <> S+ 0 0 32 -3,-0.6 4,-2.5 2,-0.2 5,-0.3 0.939 110.8 48.3 -68.3 -45.3 28.0 -0.9 51.3 103 103 A T H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.952 117.4 42.2 -59.6 -47.6 27.9 2.1 49.0 104 104 A I H X S+ 0 0 8 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.956 114.8 48.1 -68.2 -47.9 31.2 1.2 47.5 105 105 A D H X S+ 0 0 76 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.911 115.2 45.2 -59.5 -43.5 30.6 -2.5 47.1 106 106 A E H X S+ 0 0 10 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.879 111.0 52.7 -69.0 -35.6 27.2 -2.1 45.6 107 107 A A H X S+ 0 0 4 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.923 108.0 51.5 -65.9 -43.9 28.4 0.7 43.2 108 108 A I H X S+ 0 0 19 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.900 106.3 56.0 -58.3 -41.4 31.2 -1.7 42.0 109 109 A E H X S+ 0 0 84 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.907 108.4 46.6 -58.5 -43.7 28.5 -4.3 41.4 110 110 A I H X S+ 0 0 9 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.932 111.5 51.1 -66.1 -43.5 26.6 -2.0 39.1 111 111 A A H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.902 114.0 44.0 -60.3 -40.5 29.7 -0.9 37.2 112 112 A K H < S+ 0 0 87 -4,-2.6 3,-0.3 2,-0.2 -1,-0.2 0.877 106.5 62.8 -71.1 -35.9 30.7 -4.6 36.7 113 113 A R H < S+ 0 0 158 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.902 120.5 21.7 -53.0 -48.6 27.1 -5.4 35.7 114 114 A Y H < S+ 0 0 89 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.345 135.1 27.6-106.3 4.6 27.1 -3.1 32.7 115 115 A G S < S- 0 0 36 -4,-0.7 2,-0.2 -3,-0.3 -3,-0.1 -0.146 91.3 -76.3-131.7-134.0 30.9 -3.0 32.2 116 116 A T > - 0 0 80 -5,-0.1 4,-2.0 -2,-0.1 3,-0.3 -0.753 44.6 -91.8-131.1 177.9 33.9 -5.2 32.9 117 117 A E H > S+ 0 0 113 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.889 127.8 56.5 -60.2 -37.3 36.1 -6.2 35.8 118 118 A N H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.859 103.1 53.9 -63.1 -36.4 38.3 -3.2 34.9 119 119 A S H > S+ 0 0 17 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.930 108.6 49.7 -60.8 -47.9 35.2 -0.9 35.2 120 120 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.929 111.7 47.3 -57.5 -47.2 34.6 -2.2 38.7 121 121 A K H X S+ 0 0 131 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.911 112.0 50.5 -63.6 -41.3 38.3 -1.7 39.7 122 122 A F H X S+ 0 0 63 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.949 113.5 44.5 -59.6 -49.9 38.3 1.8 38.3 123 123 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.910 110.7 55.6 -59.2 -43.7 35.1 2.8 40.1 124 124 A N H X S+ 0 0 55 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.913 107.7 49.5 -58.1 -45.1 36.4 1.1 43.3 125 125 A G H X S+ 0 0 34 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.922 112.8 44.7 -63.4 -46.0 39.6 3.3 43.2 126 126 A I H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.944 115.4 47.3 -64.7 -47.5 37.8 6.6 42.7 127 127 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.866 107.4 55.4 -64.7 -36.3 35.1 5.9 45.4 128 128 A D H X S+ 0 0 72 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.921 111.7 46.3 -61.1 -41.3 37.7 4.7 48.0 129 129 A R H X S+ 0 0 116 -4,-1.7 4,-0.9 -5,-0.2 -2,-0.2 0.914 113.6 46.8 -67.7 -43.6 39.5 8.0 47.5 130 130 A I H >X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.5 0.935 114.1 49.1 -64.1 -43.1 36.3 10.1 47.7 131 131 A A H 3X S+ 0 0 7 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.896 106.1 54.3 -64.9 -40.6 35.1 8.2 50.8 132 132 A K H 3< S+ 0 0 163 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.742 120.5 32.9 -70.3 -17.0 38.3 8.5 52.7 133 133 A E H << S+ 0 0 127 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.598 132.9 25.9-110.6 -12.3 38.2 12.3 52.3 134 134 A H H < S+ 0 0 59 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.432 73.5 126.4-134.0 -1.1 34.5 12.9 52.3 135 135 A A < - 0 0 13 -4,-2.3 -42,-0.1 -5,-0.2 -43,-0.1 -0.418 67.3-112.5 -60.7 131.4 32.6 10.3 54.2 136 136 A P > - 0 0 23 0, 0.0 3,-2.7 0, 0.0 4,-0.1 -0.362 23.4-112.9 -66.8 148.6 30.5 12.1 56.8 137 137 A K G > S+ 0 0 156 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.752 112.1 72.4 -54.5 -25.9 31.4 11.5 60.4 138 138 A E G 3 S+ 0 0 112 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.715 98.3 52.2 -63.3 -15.8 28.2 9.7 61.1 139 139 A K G < S+ 0 0 20 -3,-2.7 -39,-0.3 1,-0.2 -1,-0.3 0.338 77.6 96.8-101.5 7.3 29.8 6.8 59.0 140 140 A F < 0 0 137 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.806 360.0 360.0 -65.6 -28.7 33.1 6.6 60.9 141 141 A E 0 0 216 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 -0.244 360.0 360.0-121.2 360.0 31.7 3.7 63.0