==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-MAR-13 4JY8 . COMPND 2 MOLECULE: FEFE-HYDROGENASE MATURASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR Y.NICOLET,R.ROHAC,L.MARTIN,J.C.FONTECILLA-CAMPS . 346 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 1 0.3 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 . 28 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.9 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 0 0 2 1 0 3 0 2 0 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 1 0 1 1 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 . 1 1 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 . 3 1 0 0 0 0 0 1 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 2 A T > 0 0 130 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 165.7 31.7 -49.3 32.7 2 3 A G H > + 0 0 31 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.931 360.0 53.0 -60.3 -43.5 31.7 -45.9 31.1 3 4 A R H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 105.5 52.5 -58.6 -42.2 35.3 -46.5 30.2 4 5 A E H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 105.0 53.5 -67.1 -37.2 34.7 -49.9 28.5 5 6 A I H X S+ 0 0 12 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.854 105.4 53.1 -64.4 -40.2 31.9 -48.7 26.2 6 7 A L H X S+ 0 0 30 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.932 109.2 51.8 -63.5 -38.1 34.0 -45.9 24.7 7 8 A E H X S+ 0 0 109 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.926 107.6 50.2 -63.8 -41.6 36.6 -48.6 24.1 8 9 A K H <>S+ 0 0 42 -4,-2.2 5,-2.6 1,-0.2 -1,-0.2 0.888 109.6 52.7 -64.8 -39.1 34.0 -50.8 22.3 9 10 A L H ><5S+ 0 0 4 -4,-2.4 3,-1.3 3,-0.2 -1,-0.2 0.895 106.1 54.2 -59.5 -39.5 33.1 -47.8 20.2 10 11 A E H 3<5S+ 0 0 133 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.887 109.2 46.0 -63.3 -36.7 36.8 -47.3 19.3 11 12 A R T 3<5S- 0 0 167 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.340 114.6-119.2 -84.9 3.1 37.1 -50.9 18.0 12 13 A R T < 5 + 0 0 70 -3,-1.3 2,-1.8 1,-0.2 -3,-0.2 0.808 57.8 156.5 59.3 37.7 33.8 -50.4 16.1 13 14 A E < + 0 0 33 -5,-2.6 2,-1.5 -6,-0.2 -1,-0.2 -0.632 17.8 177.8 -90.5 76.9 32.1 -53.2 18.0 14 15 A F + 0 0 33 -2,-1.8 -1,-0.1 -3,-0.1 2,-0.1 -0.407 11.8 155.4 -88.8 59.5 28.8 -51.6 17.2 15 16 A T > - 0 0 69 -2,-1.5 4,-2.4 1,-0.1 5,-0.2 -0.356 57.5-111.4 -81.8 163.5 26.3 -54.1 18.8 16 17 A R H > S+ 0 0 114 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.920 120.2 55.9 -55.6 -43.1 22.8 -53.2 20.0 17 18 A E H > S+ 0 0 150 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.944 109.2 45.2 -56.7 -48.9 24.1 -53.8 23.5 18 19 A V H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.915 113.2 47.8 -65.3 -43.9 26.9 -51.2 23.1 19 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.922 112.7 50.4 -66.5 -40.9 24.8 -48.5 21.5 20 21 A K H X S+ 0 0 71 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.943 112.3 45.4 -61.3 -46.3 22.1 -48.9 24.1 21 22 A E H >X S+ 0 0 98 -4,-2.7 4,-1.7 1,-0.2 3,-0.8 0.939 111.0 53.0 -63.5 -43.2 24.4 -48.7 27.0 22 23 A A H 3< S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.910 111.7 46.5 -59.4 -40.1 26.2 -45.7 25.4 23 24 A L H 3< S+ 0 0 7 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.689 110.4 55.7 -73.9 -17.4 22.8 -44.0 25.1 24 25 A S H << S+ 0 0 61 -4,-1.3 2,-0.3 -3,-0.8 -1,-0.2 0.745 82.8 93.2 -88.9 -27.4 21.8 -44.9 28.7 25 26 A I < - 0 0 34 -4,-1.7 -4,-0.0 -3,-0.3 0, 0.0 -0.536 45.9-178.8 -72.2 129.0 24.8 -43.4 30.5 26 27 A N + 0 0 84 -2,-0.3 -1,-0.1 4,-0.0 2,-0.1 0.266 34.9 133.6-109.3 12.0 24.1 -39.8 31.7 27 28 A D > - 0 0 97 1,-0.1 4,-2.0 2,-0.0 5,-0.1 -0.404 56.4-138.3 -65.6 134.4 27.5 -39.2 33.3 28 29 A R H > S+ 0 0 143 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 99.9 51.2 -61.3 -43.9 28.9 -35.8 32.3 29 30 A G H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 108.1 49.5 -63.3 -42.6 32.4 -37.1 31.7 30 31 A F H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.960 112.6 50.1 -60.1 -47.9 31.4 -40.0 29.5 31 32 A N H X S+ 0 0 16 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.926 109.8 49.0 -59.2 -45.9 29.3 -37.5 27.4 32 33 A E H X S+ 0 0 60 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.906 112.2 48.9 -61.9 -42.1 32.2 -35.0 27.1 33 34 A A H X S+ 0 0 42 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.886 109.5 52.2 -62.6 -41.8 34.6 -37.8 26.0 34 35 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.893 111.1 47.3 -61.1 -44.8 32.1 -39.1 23.4 35 36 A F H X S+ 0 0 30 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.907 110.6 50.9 -66.2 -40.9 31.7 -35.6 22.0 36 37 A K H X S+ 0 0 85 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.927 112.8 49.7 -61.7 -39.6 35.6 -35.1 21.8 37 38 A L H X S+ 0 0 34 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.950 110.5 46.3 -61.7 -49.7 35.7 -38.5 20.0 38 39 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.901 113.1 51.5 -62.1 -38.4 33.1 -37.6 17.5 39 40 A D H X S+ 0 0 45 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.897 109.4 49.3 -62.8 -43.0 34.8 -34.3 17.0 40 41 A E H X S+ 0 0 55 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.885 111.9 48.4 -66.0 -42.1 38.2 -36.0 16.4 41 42 A I H X S+ 0 0 33 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.940 110.8 51.4 -61.1 -46.1 36.6 -38.4 13.9 42 43 A R H X>S+ 0 0 9 -4,-2.6 4,-2.9 -5,-0.2 5,-1.5 0.951 110.7 48.8 -55.0 -53.4 34.9 -35.5 12.1 43 44 A R H <5S+ 0 0 44 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.943 115.5 44.6 -53.6 -48.3 38.4 -33.6 11.9 44 45 A K H <5S+ 0 0 164 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.897 125.4 27.6 -65.7 -42.1 40.1 -36.7 10.6 45 46 A Y H <5S+ 0 0 71 -4,-2.8 -2,-0.2 215,-0.2 -1,-0.2 0.698 135.6 19.5 -93.2 -36.8 37.4 -37.8 8.0 46 47 A V T <5S- 0 0 30 -4,-2.9 3,-0.5 -5,-0.3 -3,-0.2 0.445 96.9-147.9-117.3 -4.1 35.5 -34.7 6.8 47 48 A G < - 0 0 24 -5,-1.5 -1,-0.2 -4,-0.5 -2,-0.1 -0.219 36.4 -53.8 74.2-167.6 38.0 -32.1 7.9 48 49 A D S S+ 0 0 76 -5,-0.1 284,-2.3 -4,-0.1 2,-0.2 0.476 92.1 113.3 -96.6 -3.0 37.5 -28.6 9.1 49 50 A E E -a 332 0A 60 -3,-0.5 2,-0.6 282,-0.2 285,-0.1 -0.522 52.6-155.1 -71.5 132.5 35.5 -27.2 6.3 50 51 A V E -a 333 0A 1 282,-3.0 284,-0.6 -2,-0.2 238,-0.2 -0.955 16.3-143.7-109.4 115.2 31.9 -26.3 7.3 51 52 A H E -b 288 0B 16 236,-1.6 238,-2.7 -2,-0.6 2,-0.5 -0.491 3.9-141.9 -85.4 134.6 29.6 -26.5 4.3 52 53 A I E -b 289 0B 29 -2,-0.2 50,-0.8 236,-0.2 2,-0.6 -0.887 12.4-171.1-101.1 124.1 26.8 -24.1 3.8 53 54 A R E -d 102 0C 8 236,-2.3 2,-0.5 -2,-0.5 50,-0.2 -0.951 17.5-145.2-114.1 113.0 23.5 -25.3 2.3 54 55 A A E -d 103 0C 0 48,-2.3 50,-3.7 -2,-0.6 2,-0.6 -0.689 15.6-148.7 -81.2 122.3 21.2 -22.4 1.5 55 56 A I E -de 104 292C 20 236,-2.5 238,-3.0 -2,-0.5 2,-0.6 -0.829 14.4-171.6-100.9 127.5 17.6 -23.4 2.2 56 57 A I E -d 105 0C 0 48,-3.1 50,-2.4 -2,-0.6 2,-1.2 -0.946 8.0-162.7-113.9 112.6 14.8 -22.0 0.2 57 58 A E E +d 106 0C 70 -2,-0.6 50,-0.2 48,-0.2 3,-0.1 -0.782 20.3 172.8 -94.7 91.7 11.4 -23.0 1.6 58 59 A F E + 0 0 2 -2,-1.2 25,-2.9 48,-1.1 2,-0.3 0.590 58.0 16.9 -89.1 -15.0 9.6 -22.2 -1.5 59 60 A S E -dF 107 82C 1 47,-0.6 49,-1.1 23,-0.2 -1,-0.2 -0.929 49.0-164.9-155.8 137.8 6.1 -23.5 -0.7 60 61 A N + 0 0 12 21,-1.4 2,-0.4 -2,-0.3 22,-0.1 0.084 53.6 119.6-110.2 20.3 4.4 -24.5 2.5 61 62 A V - 0 0 32 20,-0.4 2,-0.4 47,-0.2 47,-0.2 -0.733 40.1-178.5 -80.0 133.2 1.6 -26.3 1.0 62 63 A C - 0 0 21 -2,-0.4 48,-0.2 9,-0.3 -2,-0.0 -0.999 28.1-163.1-138.4 138.7 1.4 -30.0 2.0 63 64 A R S S+ 0 0 100 46,-1.4 2,-0.1 -2,-0.4 47,-0.1 0.527 73.3 78.5 -84.9 -15.3 -1.0 -32.8 1.0 64 65 A K S S- 0 0 14 7,-0.1 9,-2.5 45,-0.1 -2,-0.1 -0.376 70.4-141.7 -95.1 173.1 0.0 -35.1 3.8 65 66 A N + 0 0 14 7,-0.3 7,-0.1 8,-0.1 -1,-0.0 -0.106 25.2 174.9-132.4 36.5 -1.1 -34.8 7.4 66 67 A C - 0 0 11 105,-0.1 3,-0.5 1,-0.1 6,-0.2 -0.097 30.6-135.4 -51.1 135.2 1.9 -35.7 9.6 67 68 A L S S+ 0 0 40 103,-2.6 170,-0.8 1,-0.2 -1,-0.1 0.764 97.3 46.5 -71.5 -24.8 1.0 -35.2 13.3 68 69 A Y S S+ 0 0 29 102,-0.4 2,-0.5 168,-0.1 -1,-0.2 0.576 94.4 98.7 -87.2 -14.5 4.2 -33.4 14.4 69 70 A C > - 0 0 37 -3,-0.5 3,-1.9 1,-0.1 168,-0.0 -0.663 60.9-154.0-101.7 128.6 4.3 -31.0 11.6 70 71 A G T 3 S+ 0 0 9 -2,-0.5 -1,-0.1 1,-0.3 5,-0.0 0.714 99.1 59.9 -61.7 -19.1 3.1 -27.4 11.4 71 72 A L T 3 S+ 0 0 43 -10,-0.1 -9,-0.3 3,-0.0 -1,-0.3 0.529 74.3 133.8 -88.4 -0.2 2.7 -27.9 7.7 72 73 A R X - 0 0 23 -3,-1.9 3,-1.8 -6,-0.2 -7,-0.3 -0.010 68.5-115.6 -53.9 148.3 0.2 -30.7 8.0 73 74 A R T 3 S+ 0 0 120 -9,-2.5 -8,-0.1 1,-0.3 -1,-0.1 0.855 111.1 59.4 -58.4 -33.8 -2.9 -30.3 5.7 74 75 A D T 3 S+ 0 0 107 -10,-0.1 2,-1.2 1,-0.1 -1,-0.3 0.545 77.6 104.5 -73.6 -6.4 -5.3 -30.0 8.7 75 76 A N < + 0 0 5 -3,-1.8 3,-0.4 1,-0.2 -1,-0.1 -0.620 39.3 169.9 -81.3 99.7 -3.6 -26.9 10.1 76 77 A K + 0 0 90 -2,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.604 64.5 77.4 -82.4 -11.2 -5.8 -24.0 9.1 77 78 A N S S+ 0 0 120 157,-0.2 2,-0.4 -3,-0.1 -1,-0.2 -0.093 79.4 92.7 -92.6 39.1 -3.9 -21.5 11.3 78 79 A L S S- 0 0 58 -3,-0.4 2,-0.6 -2,-0.3 -18,-0.0 -0.985 74.1-130.6-137.1 125.5 -1.1 -21.2 8.7 79 80 A K - 0 0 109 -2,-0.4 2,-0.3 219,-0.0 -19,-0.1 -0.597 31.0-146.9 -71.4 114.8 -0.7 -18.7 5.9 80 81 A R + 0 0 79 -2,-0.6 2,-0.3 -21,-0.1 -19,-0.1 -0.654 21.6 176.3 -90.4 143.2 0.0 -20.8 2.8 81 82 A Y - 0 0 37 -2,-0.3 -21,-1.4 217,-0.1 -20,-0.4 -0.952 21.5-161.3-141.1 160.9 2.3 -19.6 0.1 82 83 A R B -F 59 0C 115 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.977 17.0-143.5-141.5 121.9 3.9 -20.6 -3.2 83 84 A M - 0 0 3 -25,-2.9 -25,-0.0 -2,-0.4 -2,-0.0 -0.625 27.6-113.3 -73.8 144.5 6.8 -18.8 -4.7 84 85 A T > - 0 0 55 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.418 26.0-114.2 -71.8 157.2 6.9 -18.5 -8.5 85 86 A P H > S+ 0 0 35 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.879 118.7 52.0 -56.3 -42.1 9.6 -20.5 -10.3 86 87 A E H > S+ 0 0 124 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.874 106.6 53.1 -62.3 -42.7 11.2 -17.3 -11.4 87 88 A E H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 111.6 48.6 -58.9 -40.8 11.2 -15.9 -7.8 88 89 A I H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.977 110.5 46.8 -67.7 -48.6 13.0 -19.1 -6.9 89 90 A V H X S+ 0 0 12 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.904 114.6 48.6 -60.5 -44.9 15.7 -19.1 -9.6 90 91 A E H X S+ 0 0 101 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.894 109.8 51.2 -67.7 -33.2 16.4 -15.5 -8.9 91 92 A R H X S+ 0 0 19 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.882 110.0 50.2 -66.9 -41.4 16.7 -16.0 -5.1 92 93 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.906 107.8 53.5 -58.7 -46.2 19.1 -18.8 -5.8 93 94 A R H X S+ 0 0 116 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.896 107.7 50.9 -58.3 -41.5 21.1 -16.5 -8.0 94 95 A L H X S+ 0 0 71 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.876 109.6 50.8 -61.0 -41.1 21.2 -14.1 -5.1 95 96 A A H <>S+ 0 0 0 -4,-2.0 5,-2.1 2,-0.2 4,-0.3 0.927 109.1 50.2 -60.1 -45.5 22.4 -16.9 -2.8 96 97 A V H ><5S+ 0 0 43 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.878 106.9 54.5 -61.9 -38.4 25.1 -17.8 -5.3 97 98 A Q H 3<5S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.879 107.3 52.8 -62.5 -31.4 26.1 -14.2 -5.4 98 99 A F T 3<5S- 0 0 74 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.483 128.9 -97.7 -84.7 -1.1 26.4 -14.4 -1.6 99 100 A G T < 5 + 0 0 41 -3,-1.3 -3,-0.2 -4,-0.3 -47,-0.1 0.451 66.6 154.1 106.5 -0.8 28.7 -17.5 -1.9 100 101 A A < - 0 0 3 -5,-2.1 -1,-0.3 1,-0.1 -47,-0.1 -0.412 21.4-173.4 -65.4 133.2 26.4 -20.5 -1.4 101 102 A K S S+ 0 0 89 -49,-0.6 30,-3.0 1,-0.2 2,-0.4 0.585 73.2 42.8-103.9 -11.7 27.8 -23.6 -3.1 102 103 A T E -dg 53 131C 1 -50,-0.8 -48,-2.3 28,-0.2 2,-0.5 -0.994 67.3-160.9-130.5 134.9 24.7 -25.8 -2.5 103 104 A I E -dg 54 132C 0 28,-2.1 30,-2.7 -2,-0.4 2,-0.6 -0.973 7.5-157.3-111.1 126.4 21.2 -24.7 -2.9 104 105 A V E -dg 55 133C 0 -50,-3.7 -48,-3.1 -2,-0.5 2,-0.7 -0.940 1.5-161.8-102.2 125.4 18.4 -26.7 -1.1 105 106 A L E +dg 56 134C 2 28,-2.7 30,-2.5 -2,-0.6 2,-0.3 -0.915 22.4 173.5-104.0 115.8 14.9 -26.5 -2.4 106 107 A Q E +dg 57 135C 42 -50,-2.4 -48,-1.1 -2,-0.7 -47,-0.6 -0.889 5.9 147.0-125.4 148.1 12.5 -27.7 0.3 107 108 A S E -d 59 0C 14 28,-2.2 -47,-0.2 -2,-0.3 2,-0.1 -0.981 48.7 -88.3-157.9 169.3 8.8 -27.9 0.7 108 109 A G S S- 0 0 6 -49,-1.1 2,-1.9 -2,-0.3 -47,-0.2 -0.307 75.8 -74.7 -60.1 167.6 5.8 -29.6 2.1 109 110 A E + 0 0 6 -49,-0.1 -46,-1.4 -2,-0.1 28,-0.1 -0.508 69.3 172.6 -74.8 82.7 4.5 -32.2 -0.4 110 111 A D > - 0 0 0 -2,-1.9 3,-1.2 -48,-0.2 4,-0.3 -0.861 25.3-161.0-102.3 108.4 3.0 -29.7 -2.9 111 112 A P G > S+ 0 0 69 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.634 78.4 82.4 -56.6 -25.6 1.7 -31.3 -6.2 112 113 A Y G 3 S+ 0 0 135 1,-0.3 5,-0.1 3,-0.1 -30,-0.0 0.816 96.8 38.3 -57.6 -32.1 1.7 -27.9 -8.0 113 114 A Y G <>>S+ 0 0 0 -3,-1.2 5,-2.2 4,-0.1 4,-0.8 0.555 92.5 146.9 -93.3 -14.4 5.4 -28.0 -8.8 114 115 A M T <45 - 0 0 20 -3,-1.0 2,-0.1 -4,-0.3 29,-0.0 -0.644 65.7 -31.5-101.1 129.6 5.6 -31.6 -9.6 115 116 A P T >5S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 -0.972 131.4 38.3 -96.8 -18.9 7.5 -32.9 -11.6 116 117 A D H >5S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.829 112.2 53.3 -74.5 -33.9 8.1 -30.5 -14.5 117 118 A V H X5S+ 0 0 37 -4,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.936 111.2 48.7 -67.0 -41.9 8.3 -27.2 -12.6 118 119 A I H ><>S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 5,-0.6 0.881 106.8 59.0 -69.4 -37.4 20.1 -23.5 -11.0 126 127 A K H ><5S+ 0 0 48 -4,-2.8 3,-2.3 1,-0.3 -1,-0.2 0.866 94.2 64.3 -61.3 -26.9 22.6 -26.1 -12.3 127 128 A K T 3<5S+ 0 0 121 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.816 93.8 65.7 -62.9 -22.4 23.5 -23.6 -15.0 128 129 A M T < 5S- 0 0 34 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.420 112.9-119.4 -80.6 -1.6 24.7 -21.5 -12.0 129 130 A G T < 5S+ 0 0 46 -3,-2.3 2,-0.2 1,-0.2 -3,-0.1 0.793 70.8 117.7 74.8 31.8 27.4 -24.1 -11.2 130 131 A V < - 0 0 7 -5,-0.6 -1,-0.2 -4,-0.1 2,-0.2 -0.741 69.4 -95.0-122.0 167.4 26.4 -25.1 -7.7 131 132 A A E -g 102 0C 0 -30,-3.0 -28,-2.1 -2,-0.2 2,-0.5 -0.591 37.6-142.8 -74.2 147.5 25.2 -28.4 -6.1 132 133 A V E -g 103 0C 0 19,-0.3 22,-2.6 -2,-0.2 21,-1.9 -0.971 16.2-174.6-120.8 126.2 21.5 -29.0 -5.9 133 134 A T E -gh 104 154C 3 -30,-2.7 -28,-2.7 -2,-0.5 2,-0.4 -0.967 8.2-157.5-114.0 132.0 19.7 -30.6 -3.0 134 135 A L E +gh 105 155C 0 20,-2.6 22,-2.5 -2,-0.5 -28,-0.2 -0.833 16.6 176.1-108.6 143.9 16.0 -31.4 -3.0 135 136 A S E +g 106 0C 17 -30,-2.5 -28,-2.2 -2,-0.4 22,-0.1 -0.634 32.6 132.5-140.9 77.9 13.7 -32.0 0.0 136 137 A L - 0 0 0 1,-0.4 2,-0.2 -30,-0.2 -26,-0.1 0.281 58.6-120.5-114.1 -0.7 10.3 -32.5 -1.4 137 138 A G - 0 0 12 19,-0.5 2,-0.5 -28,-0.1 -1,-0.4 -0.554 58.7 -13.6 93.3-157.9 8.9 -35.6 0.3 138 139 A E + 0 0 5 -2,-0.2 41,-0.1 -29,-0.0 40,-0.0 -0.737 68.2 155.9 -92.6 125.1 7.8 -38.9 -1.0 139 140 A W - 0 0 24 -2,-0.5 5,-0.1 1,-0.0 -2,-0.0 -0.938 45.6 -76.6-141.8 166.7 7.1 -39.2 -4.7 140 141 A P >> - 0 0 66 0, 0.0 4,-1.4 0, 0.0 3,-1.0 -0.248 45.4-110.3 -57.5 154.0 6.9 -41.9 -7.4 141 142 A R H 3> S+ 0 0 104 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.837 116.0 66.0 -53.1 -36.5 10.1 -43.2 -8.8 142 143 A E H 3> S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.896 100.5 48.9 -60.7 -34.6 9.4 -41.4 -12.1 143 144 A Y H <> S+ 0 0 62 -3,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.912 109.8 50.3 -70.9 -45.7 9.7 -38.0 -10.4 144 145 A Y H X S+ 0 0 1 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.877 110.4 52.1 -57.1 -38.5 13.0 -38.9 -8.7 145 146 A E H X S+ 0 0 68 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.959 109.8 47.6 -62.9 -50.4 14.3 -40.1 -12.1 146 147 A K H X S+ 0 0 61 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.869 113.3 48.2 -60.8 -37.8 13.3 -36.8 -13.9 147 148 A W H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 4,-0.3 0.856 111.5 50.3 -74.9 -29.7 14.9 -34.7 -11.2 148 149 A K H ><5S+ 0 0 58 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.949 112.9 44.4 -69.1 -44.9 18.1 -36.8 -11.2 149 150 A E H 3<5S+ 0 0 163 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.791 106.3 63.8 -65.2 -30.5 18.4 -36.5 -15.0 150 151 A A T 3<5S- 0 0 25 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.565 127.6 -98.5 -69.0 -17.7 17.6 -32.8 -14.5 151 152 A G T < 5 + 0 0 21 -3,-1.4 -19,-0.3 -4,-0.3 -3,-0.2 0.482 65.7 157.1 119.0 4.1 20.8 -32.5 -12.6 152 153 A A < - 0 0 0 -5,-2.3 -1,-0.3 1,-0.1 -19,-0.1 -0.337 21.7-166.6 -62.5 140.2 19.9 -32.7 -8.9 153 154 A D + 0 0 40 -21,-1.9 39,-2.4 1,-0.2 2,-0.3 0.867 62.1 17.8 -95.3 -41.7 22.9 -33.8 -6.9 154 155 A R E -hi 133 192C 3 -22,-2.6 -20,-2.6 37,-0.3 2,-0.3 -0.884 54.3-159.5-136.9 158.4 21.3 -34.7 -3.5 155 156 A Y E -hi 134 193C 0 37,-2.5 39,-2.7 -2,-0.3 2,-0.5 -0.984 7.8-153.2-144.0 128.1 18.0 -35.4 -1.8 156 157 A L E + i 0 194C 24 -22,-2.5 -19,-0.5 -2,-0.3 2,-0.2 -0.889 24.4 158.4-101.1 125.6 17.0 -35.2 1.9 157 158 A L - 0 0 2 37,-2.8 39,-0.2 -2,-0.5 -22,-0.1 -0.667 29.5-151.6-146.9 81.3 14.2 -37.4 3.1 158 159 A R - 0 0 80 37,-0.2 39,-0.2 -2,-0.2 37,-0.1 -0.274 8.1-144.7 -54.0 137.1 14.6 -37.8 6.8 159 160 A H - 0 0 0 37,-0.7 2,-2.8 1,-0.2 38,-0.2 0.674 18.9-162.2 -79.7 -16.9 13.2 -41.1 8.0 160 161 A E B +l 197 0D 23 36,-3.1 38,-1.6 2,-0.1 2,-0.3 -0.251 66.1 6.4 72.9 -56.6 12.0 -39.5 11.2 161 162 A T - 0 0 3 -2,-2.8 48,-0.1 36,-0.2 6,-0.1 -0.942 51.7-153.4-156.6 138.0 11.6 -42.9 13.0 162 163 A A S S+ 0 0 15 46,-0.3 3,-0.1 -2,-0.3 -2,-0.1 0.381 71.6 100.4 -88.0 0.7 12.4 -46.5 12.3 163 164 A N > - 0 0 45 1,-0.2 4,-2.8 2,-0.0 5,-0.2 -0.801 65.5-153.7 -85.2 111.6 9.7 -47.9 14.5 164 165 A P H > S+ 0 0 76 0, 0.0 4,-2.4 0, 0.0 12,-0.4 0.801 89.2 49.9 -63.7 -31.3 7.0 -48.8 11.9 165 166 A V H > S+ 0 0 111 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 113.9 46.2 -70.2 -46.6 4.0 -48.5 14.2 166 167 A L H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 111.8 51.8 -62.9 -38.9 5.2 -45.2 15.5 167 168 A H H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.945 111.4 46.4 -62.6 -45.2 5.8 -44.0 12.0 168 169 A R H < S+ 0 0 137 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 112.4 49.5 -70.5 -37.2 2.4 -45.0 10.8 169 170 A K H < S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.941 118.6 40.5 -65.0 -41.3 0.6 -43.4 13.8 170 171 A L H < S+ 0 0 12 -4,-2.5 -103,-2.6 1,-0.2 -102,-0.4 0.728 127.0 31.9 -78.7 -21.5 2.6 -40.2 13.2 171 172 A R >< + 0 0 10 -4,-2.1 3,-2.6 -105,-0.2 -1,-0.2 -0.546 68.6 174.0-137.2 71.6 2.4 -40.2 9.3 172 173 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.589 72.4 67.1 -70.5 -6.4 -0.9 -41.8 8.6 173 174 A D T 3 S+ 0 0 54 -3,-0.1 2,-0.1 2,-0.0 -5,-0.1 0.688 115.6 4.6 -79.8 -12.5 -0.6 -41.0 4.9 174 175 A T S < S- 0 0 10 -3,-2.6 2,-0.3 -7,-0.2 -3,-0.1 -0.408 70.3-119.2-151.2-155.5 2.2 -43.4 4.5 175 176 A S > - 0 0 35 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.970 32.3-106.5-158.6 161.9 4.4 -46.0 6.3 176 177 A F H > S+ 0 0 27 -12,-0.4 4,-2.9 -2,-0.3 5,-0.2 0.885 120.2 59.5 -62.8 -39.4 8.0 -46.6 7.2 177 178 A E H > S+ 0 0 58 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.944 106.6 46.4 -55.8 -44.7 8.0 -49.2 4.4 178 179 A N H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.941 111.7 50.9 -63.5 -43.8 7.1 -46.6 1.9 179 180 A R H X S+ 0 0 13 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.932 109.8 50.6 -58.9 -45.4 9.7 -44.2 3.3 180 181 A L H X S+ 0 0 36 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.924 107.8 52.7 -60.8 -45.4 12.4 -46.9 3.1 181 182 A N H X S+ 0 0 96 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.924 109.1 49.8 -60.2 -39.8 11.5 -47.6 -0.6 182 183 A C H X S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.929 111.8 47.8 -60.7 -46.4 11.9 -43.9 -1.4 183 184 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.924 113.2 49.0 -59.6 -43.8 15.3 -43.8 0.3 184 185 A L H X S+ 0 0 65 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.910 111.0 49.2 -62.2 -42.3 16.4 -46.9 -1.5 185 186 A T H X S+ 0 0 24 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.926 109.8 51.2 -62.0 -48.0 15.3 -45.6 -4.8 186 187 A L H <>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 4,-0.3 0.926 111.5 47.7 -59.0 -44.8 17.1 -42.4 -4.3 187 188 A K H ><5S+ 0 0 65 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.941 111.0 50.6 -60.6 -47.3 20.3 -44.2 -3.4 188 189 A E H 3<5S+ 0 0 143 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.836 106.5 55.7 -61.3 -35.1 20.0 -46.5 -6.4 189 190 A L T 3<5S- 0 0 35 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.450 121.9-104.1 -78.4 -6.0 19.5 -43.6 -8.8 190 191 A G T < 5 + 0 0 49 -3,-1.6 -3,-0.2 -4,-0.3 2,-0.1 0.559 68.2 146.8 99.4 9.2 22.7 -41.9 -7.7 191 192 A Y < - 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