==== 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 4JY9 . COMPND 2 MOLECULE: FEFE-HYDROGENASE MATURASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR Y.NICOLET,R.ROHAC,L.MARTIN,J.C.FONTECILLA-CAMPS . 347 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 22 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 2 1 0 3 0 2 0 2 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 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 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 . 2 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 96 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 138.8 65.0 -15.4 -6.7 2 3 A G H > + 0 0 23 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.889 360.0 57.2 -47.0 -42.3 63.5 -12.0 -6.1 3 4 A R H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 106.6 47.0 -60.8 -45.8 62.6 -12.3 -9.8 4 5 A E H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.855 110.4 52.1 -66.0 -37.6 60.7 -15.5 -9.0 5 6 A I H X S+ 0 0 9 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.946 110.0 49.0 -62.7 -44.0 58.9 -14.0 -6.0 6 7 A L H X S+ 0 0 27 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.919 110.4 51.7 -61.6 -42.1 57.7 -11.0 -8.1 7 8 A E H X S+ 0 0 39 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.935 110.3 48.0 -61.8 -40.6 56.4 -13.4 -10.8 8 9 A K H <>S+ 0 0 46 -4,-2.2 5,-2.8 2,-0.2 -1,-0.2 0.918 111.8 49.8 -67.2 -40.3 54.5 -15.4 -8.2 9 10 A L H ><5S+ 0 0 3 -4,-2.7 3,-1.5 3,-0.2 -2,-0.2 0.931 111.0 49.7 -60.5 -41.8 53.0 -12.2 -6.7 10 11 A E H 3<5S+ 0 0 122 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.866 111.1 48.9 -66.7 -34.8 52.0 -11.1 -10.2 11 12 A R T 3<5S- 0 0 119 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.343 116.7-116.9 -83.8 5.3 50.4 -14.4 -10.9 12 13 A R T < 5 + 0 0 69 -3,-1.5 2,-1.1 1,-0.2 -3,-0.2 0.838 62.2 150.7 59.1 37.7 48.5 -14.2 -7.5 13 14 A E < + 0 0 41 -5,-2.8 2,-1.8 -6,-0.1 -1,-0.2 -0.688 19.8 178.0 -96.5 80.1 50.3 -17.3 -6.0 14 15 A F + 0 0 40 -2,-1.1 2,-0.1 -3,-0.1 -1,-0.1 -0.401 12.0 158.9 -91.2 60.5 50.1 -16.0 -2.4 15 16 A T > - 0 0 64 -2,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.447 55.1-113.3 -79.5 157.3 51.6 -18.8 -0.5 16 17 A R H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 119.9 55.0 -48.7 -42.7 53.1 -18.4 3.0 17 18 A E H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.906 106.4 48.7 -64.8 -42.8 56.5 -19.2 1.4 18 19 A V H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.950 113.9 45.9 -63.3 -45.4 56.2 -16.3 -1.2 19 20 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.908 112.5 50.4 -66.8 -41.7 55.1 -13.7 1.4 20 21 A K H X S+ 0 0 79 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.939 112.3 46.9 -61.0 -47.9 57.9 -14.8 3.9 21 22 A E H X S+ 0 0 99 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.943 110.1 53.9 -60.7 -42.0 60.5 -14.6 1.2 22 23 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.885 114.0 41.9 -56.3 -44.6 59.2 -11.1 0.0 23 24 A L H < S+ 0 0 8 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.728 116.0 49.8 -76.1 -23.5 59.5 -9.8 3.6 24 25 A S H < S+ 0 0 57 -4,-1.8 2,-0.2 -5,-0.2 -2,-0.2 0.794 86.0 92.9 -86.2 -32.1 62.9 -11.4 4.2 25 26 A I < - 0 0 32 -4,-2.5 -4,-0.0 -5,-0.2 0, 0.0 -0.488 50.2-174.7 -65.9 125.4 64.7 -10.2 1.0 26 27 A N + 0 0 89 -2,-0.2 -1,-0.1 4,-0.0 2,-0.1 0.350 36.3 131.5-102.4 4.3 66.6 -7.0 1.8 27 28 A D > - 0 0 96 1,-0.1 4,-2.5 2,-0.1 5,-0.2 -0.372 54.8-141.5 -66.0 133.8 67.8 -6.3 -1.8 28 29 A R H > S+ 0 0 129 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 100.4 51.4 -63.1 -44.8 67.2 -2.7 -3.1 29 30 A G H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 111.7 47.0 -57.7 -45.7 66.2 -3.8 -6.6 30 31 A F H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.948 112.6 49.6 -61.3 -48.2 63.7 -6.3 -5.3 31 32 A N H X S+ 0 0 16 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.923 110.9 48.7 -59.6 -43.5 62.2 -3.8 -2.9 32 33 A E H X S+ 0 0 118 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.875 111.5 50.1 -62.4 -41.7 61.8 -1.2 -5.6 33 34 A A H X S+ 0 0 37 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.880 109.9 50.7 -64.9 -41.5 60.2 -3.6 -8.0 34 35 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.916 110.9 48.6 -58.7 -44.3 57.8 -4.7 -5.2 35 36 A F H X S+ 0 0 29 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.906 111.1 50.6 -64.1 -43.1 56.9 -1.0 -4.6 36 37 A K H X S+ 0 0 124 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.909 109.5 50.6 -59.1 -44.1 56.4 -0.5 -8.3 37 38 A L H X S+ 0 0 22 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.941 113.1 45.7 -60.5 -48.5 54.1 -3.5 -8.6 38 39 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.902 112.3 51.2 -62.6 -43.2 52.0 -2.3 -5.6 39 40 A D H X S+ 0 0 30 -4,-2.4 4,-2.4 244,-0.2 -1,-0.2 0.909 112.4 46.6 -58.2 -46.4 51.9 1.2 -7.1 40 41 A E H X S+ 0 0 80 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.918 111.5 49.9 -62.4 -47.1 50.7 -0.1 -10.4 41 42 A I H X S+ 0 0 19 -4,-2.7 4,-2.6 2,-0.2 5,-0.4 0.932 109.9 52.0 -59.2 -43.8 48.1 -2.4 -8.9 42 43 A R H X>S+ 0 0 12 -4,-2.7 4,-2.7 1,-0.2 5,-0.9 0.954 111.3 47.1 -54.4 -54.8 46.8 0.6 -6.8 43 44 A R H X5S+ 0 0 140 -4,-2.4 4,-1.1 3,-0.2 -2,-0.2 0.934 114.4 47.2 -53.5 -48.9 46.5 2.7 -10.0 44 45 A K H <5S+ 0 0 145 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.893 123.3 29.6 -62.8 -40.1 44.7 -0.1 -11.9 45 46 A Y H <5S+ 0 0 66 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.830 136.5 17.9 -93.6 -41.0 42.2 -1.0 -9.3 46 47 A V H <5S- 0 0 34 -4,-2.7 3,-0.4 -5,-0.4 -3,-0.2 0.432 94.9-145.1-117.0 -1.2 41.5 2.1 -7.3 47 48 A G << - 0 0 25 -4,-1.1 -1,-0.2 -5,-0.9 -2,-0.1 -0.133 39.8 -52.6 73.4-166.2 42.8 4.8 -9.6 48 49 A D S S+ 0 0 43 -5,-0.1 284,-2.1 -4,-0.1 2,-0.3 0.441 92.9 115.0 -93.0 -5.5 44.5 8.2 -8.9 49 50 A E E -a 332 0A 70 -3,-0.4 2,-0.6 282,-0.2 285,-0.1 -0.504 51.5-157.1 -66.9 130.6 41.9 9.5 -6.4 50 51 A V E -a 333 0A 0 282,-3.0 284,-1.6 -2,-0.3 2,-0.4 -0.962 16.9-138.3-107.6 114.3 43.3 9.9 -2.9 51 52 A H E -b 288 0B 13 236,-2.1 238,-2.6 -2,-0.6 2,-0.6 -0.641 9.0-143.9 -81.9 133.5 40.4 9.9 -0.4 52 53 A I E -b 289 0B 18 -2,-0.4 49,-0.7 236,-0.2 50,-0.6 -0.827 14.2-172.7-101.3 119.7 40.6 12.4 2.4 53 54 A R E -d 102 0C 12 236,-2.7 2,-0.6 -2,-0.6 50,-0.2 -0.955 17.5-145.0-114.1 109.7 39.2 11.2 5.8 54 55 A A E -d 103 0C 0 48,-2.3 50,-3.0 -2,-0.6 2,-0.5 -0.673 18.1-153.4 -78.1 116.6 39.1 14.1 8.3 55 56 A I E -de 104 292C 11 236,-2.1 238,-3.0 -2,-0.6 2,-0.6 -0.798 13.6-168.6-102.2 128.1 39.9 12.6 11.7 56 57 A I E -d 105 0C 0 48,-3.1 50,-2.4 -2,-0.5 2,-1.2 -0.958 9.0-158.5-111.8 110.5 38.6 14.2 14.9 57 58 A E E +d 106 0C 19 -2,-0.6 50,-0.2 48,-0.2 3,-0.1 -0.782 21.1 177.4 -88.8 92.2 40.4 12.7 18.0 58 59 A F E + 0 0 1 48,-1.7 25,-3.0 -2,-1.2 2,-0.3 0.584 54.9 14.8 -88.6 -15.3 37.6 13.7 20.4 59 60 A S E -dF 107 82C 0 47,-0.5 49,-1.9 23,-0.2 -1,-0.2 -0.933 45.9-163.9-153.9 140.2 38.8 12.3 23.7 60 61 A N + 0 0 0 21,-1.5 2,-0.4 -2,-0.3 49,-0.1 0.190 55.7 120.0-109.6 15.4 42.0 10.8 25.0 61 62 A V - 0 0 31 20,-0.5 2,-0.4 47,-0.2 47,-0.1 -0.647 41.2-179.4 -76.1 130.2 40.4 9.2 28.0 62 63 A C - 0 0 20 -2,-0.4 48,-0.2 9,-0.3 -2,-0.0 -0.998 32.8-164.5-138.2 139.6 41.0 5.4 27.9 63 64 A R S S+ 0 0 103 46,-1.6 2,-0.1 -2,-0.4 -1,-0.1 0.551 73.2 81.3 -85.7 -16.4 39.9 2.5 30.2 64 65 A K - 0 0 18 45,-0.1 9,-2.8 7,-0.1 10,-0.1 -0.424 66.3-146.7 -93.5 169.5 42.5 0.1 28.6 65 66 A N + 0 0 13 7,-0.3 7,-0.1 8,-0.1 -1,-0.0 -0.115 22.1 176.7-130.9 37.3 46.1 -0.3 29.3 66 67 A C > - 0 0 12 1,-0.2 3,-0.9 105,-0.1 105,-0.2 -0.127 31.5-134.0 -48.7 131.1 47.8 -1.3 26.0 67 68 A L T 3 S+ 0 0 41 103,-3.2 170,-0.9 1,-0.2 -1,-0.2 0.753 100.0 47.1 -67.2 -24.6 51.5 -1.5 26.6 68 69 A Y T 3 S+ 0 0 4 102,-0.4 2,-0.4 168,-0.1 -1,-0.2 0.647 93.8 93.3 -84.2 -17.0 52.4 0.4 23.4 69 70 A C X - 0 0 13 -3,-0.9 3,-1.7 1,-0.1 236,-0.2 -0.672 60.6-151.2-102.2 129.4 50.0 3.3 23.7 70 71 A G T 3 S+ 0 0 0 234,-2.2 234,-0.2 -2,-0.4 8,-0.1 0.711 99.6 59.6 -62.3 -19.5 50.5 6.7 25.3 71 72 A L T 3 S+ 0 0 1 233,-0.1 -1,-0.3 -10,-0.1 -9,-0.3 0.491 75.3 134.2 -87.8 0.6 46.8 6.9 26.1 72 73 A R X - 0 0 20 -3,-1.7 3,-2.3 -6,-0.2 -7,-0.3 -0.099 69.4-114.0 -53.9 147.4 47.0 3.8 28.3 73 74 A R T 3 S+ 0 0 111 -9,-2.8 -8,-0.1 1,-0.3 -1,-0.1 0.806 111.7 60.8 -58.0 -31.0 45.2 4.3 31.6 74 75 A D T 3 S+ 0 0 94 -10,-0.1 2,-1.3 1,-0.1 -1,-0.3 0.545 75.1 102.8 -75.8 -7.1 48.3 4.0 33.7 75 76 A N < + 0 0 7 -3,-2.3 3,-0.5 1,-0.2 -1,-0.1 -0.653 41.3 170.1 -80.3 98.1 49.9 7.0 32.0 76 77 A K + 0 0 196 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.559 65.2 75.2 -81.1 -11.2 49.4 9.7 34.8 77 78 A N S S+ 0 0 125 157,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.717 78.8 91.8 -79.2 -11.0 51.7 12.2 32.9 78 79 A L S S- 0 0 14 -3,-0.5 2,-0.4 -8,-0.1 223,-0.1 -0.669 74.9-130.9 -96.0 131.7 49.1 13.0 30.3 79 80 A K - 0 0 160 -2,-0.4 2,-0.3 1,-0.0 -2,-0.1 -0.606 30.9-141.8 -72.7 122.0 46.5 15.8 30.5 80 81 A R - 0 0 82 -2,-0.4 2,-0.3 -21,-0.0 222,-0.1 -0.695 23.1-180.0 -91.3 143.1 43.1 14.1 29.7 81 82 A Y - 0 0 13 -2,-0.3 -21,-1.5 220,-0.1 -20,-0.5 -0.965 17.0-164.1-137.9 158.2 40.4 15.9 27.6 82 83 A R B -F 59 0C 110 -2,-0.3 2,-0.2 -23,-0.2 -23,-0.2 -0.970 17.0-139.1-141.7 126.3 37.0 15.4 26.2 83 84 A M - 0 0 3 -25,-3.0 -25,-0.0 -2,-0.3 -2,-0.0 -0.574 28.5-115.0 -72.9 143.5 35.3 17.4 23.5 84 85 A T > - 0 0 71 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.423 24.9-112.9 -71.7 158.6 31.6 18.2 24.0 85 86 A P H > S+ 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.896 120.8 51.2 -58.2 -41.3 29.1 16.7 21.6 86 87 A E H > S+ 0 0 84 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.916 109.6 50.4 -61.1 -42.3 28.3 20.2 20.3 87 88 A E H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 111.8 48.2 -60.4 -43.3 32.1 20.8 19.8 88 89 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.931 112.8 46.6 -67.2 -47.2 32.5 17.5 17.9 89 90 A V H X S+ 0 0 12 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.940 115.3 46.1 -61.5 -47.8 29.5 18.2 15.6 90 91 A E H X S+ 0 0 90 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.842 111.0 52.0 -65.1 -34.9 30.5 21.7 14.8 91 92 A R H X S+ 0 0 24 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.908 110.1 49.2 -68.2 -39.3 34.1 20.6 14.2 92 93 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.935 108.6 54.3 -60.0 -45.2 32.8 18.0 11.8 93 94 A R H X S+ 0 0 85 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.901 106.4 51.3 -57.7 -41.7 30.7 20.7 10.1 94 95 A L H X S+ 0 0 50 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.928 108.8 51.2 -65.1 -41.1 33.8 22.8 9.6 95 96 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.2 0.929 110.0 49.2 -58.7 -40.4 35.6 19.8 8.0 96 97 A V H ><5S+ 0 0 38 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.897 107.7 54.5 -64.5 -40.9 32.6 19.3 5.6 97 98 A Q H 3<5S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.827 106.4 52.8 -58.4 -34.1 32.9 23.1 4.9 98 99 A F T 3<5S- 0 0 77 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.361 131.8 -95.1 -82.5 0.0 36.5 22.4 3.9 99 100 A G T < 5 + 0 0 31 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.503 67.7 157.2 102.8 6.2 35.4 19.6 1.6 100 101 A A < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.1 -47,-0.1 -0.464 20.5-174.3 -65.8 130.6 35.8 16.5 3.7 101 102 A K S S+ 0 0 76 -49,-0.7 30,-2.6 1,-0.2 2,-0.4 0.514 73.7 43.0-100.6 -13.2 33.6 13.7 2.4 102 103 A T E -dg 53 131C 0 -50,-0.6 -48,-2.3 28,-0.2 2,-0.5 -0.993 67.0-160.0-131.6 133.7 34.3 11.3 5.3 103 104 A I E -dg 54 132C 0 28,-2.6 30,-2.8 -2,-0.4 2,-0.5 -0.969 8.8-159.1-108.8 126.8 34.5 12.3 9.0 104 105 A V E -dg 55 133C 2 -50,-3.0 -48,-3.1 -2,-0.5 2,-0.6 -0.926 0.4-160.6-105.0 125.1 36.4 9.8 11.3 105 106 A L E +dg 56 134C 0 28,-2.7 30,-2.4 -2,-0.5 2,-0.4 -0.935 19.9 173.9-103.9 117.1 35.6 10.0 15.0 106 107 A Q E +dg 57 135C 19 -50,-2.4 -48,-1.7 -2,-0.6 -47,-0.5 -0.954 4.8 148.6-126.6 144.8 38.5 8.4 17.0 107 108 A S E -d 59 0C 0 28,-1.7 -47,-0.2 -2,-0.4 2,-0.1 -0.982 48.5 -87.9-156.7 166.3 39.0 8.2 20.7 108 109 A G S S- 0 0 2 -49,-1.9 2,-2.2 -2,-0.3 -46,-0.2 -0.302 70.9 -79.4 -58.8 167.0 40.5 6.3 23.6 109 110 A E + 0 0 1 239,-0.1 -46,-1.6 -49,-0.1 -1,-0.1 -0.545 68.2 175.1 -76.3 83.2 38.0 3.8 25.0 110 111 A D > - 0 0 0 -2,-2.2 3,-1.1 -48,-0.2 4,-0.3 -0.826 25.5-158.9 -99.5 105.2 36.2 6.5 26.9 111 112 A P G > S+ 0 0 69 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.745 78.4 81.6 -53.9 -27.7 33.0 5.2 28.7 112 113 A Y G 3 S+ 0 0 136 1,-0.3 5,-0.2 3,-0.1 -2,-0.0 0.844 98.0 37.1 -49.6 -42.4 31.5 8.7 28.9 113 114 A Y G <>>S+ 0 0 1 -3,-1.1 5,-1.9 4,-0.1 4,-0.9 0.518 88.4 146.1 -87.3 -10.5 30.1 8.8 25.4 114 115 A M T <45 - 0 0 18 -3,-1.5 2,-0.0 -4,-0.3 29,-0.0 -0.715 69.9 -28.2-102.5 127.2 29.0 5.1 25.0 115 116 A P T >5S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 -0.992 131.9 39.7 -98.9 -16.8 26.6 4.4 23.4 116 117 A D H >5S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.792 109.9 51.9 -76.1 -33.3 24.1 7.2 23.3 117 118 A V H X5S+ 0 0 35 -4,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.938 111.6 50.8 -67.0 -40.0 26.2 10.3 23.0 118 119 A I H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 5,-0.5 0.914 104.8 60.1 -69.6 -37.6 27.0 14.5 11.2 126 127 A K H >< S+ 0 0 49 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.794 93.1 67.4 -61.0 -29.4 25.0 12.2 8.9 127 128 A K T 3< S+ 0 0 148 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.719 89.0 67.3 -57.9 -22.2 22.7 15.2 8.2 128 129 A M T < S- 0 0 36 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.398 114.4-115.3 -83.8 -3.1 25.6 16.9 6.5 129 130 A G S < S+ 0 0 47 -3,-1.8 2,-0.3 1,-0.3 -3,-0.1 0.804 73.4 117.5 74.5 39.8 25.6 14.2 3.7 130 131 A V - 0 0 7 -5,-0.5 -1,-0.3 -4,-0.1 2,-0.2 -0.792 68.8 -95.1-129.4 161.6 29.0 12.6 4.4 131 132 A A E -g 102 0C 0 -30,-2.6 -28,-2.6 -2,-0.3 2,-0.5 -0.589 34.3-149.6 -73.9 146.5 30.3 9.2 5.4 132 133 A V E -g 103 0C 0 19,-0.3 21,-2.6 -2,-0.2 22,-1.9 -0.984 11.1-171.3-120.8 127.4 31.0 8.6 9.1 133 134 A T E -gh 104 154C 4 -30,-2.8 -28,-2.7 -2,-0.5 2,-0.4 -0.954 8.3-154.4-115.5 132.9 33.7 6.3 10.3 134 135 A L E +gh 105 155C 0 20,-2.4 22,-2.7 -2,-0.4 -28,-0.2 -0.865 18.0 174.8-106.0 144.8 34.0 5.3 13.9 135 136 A S E +g 106 0C 4 -30,-2.4 -28,-1.7 -2,-0.4 22,-0.1 -0.610 32.0 132.3-145.4 78.0 37.3 4.2 15.6 136 137 A L - 0 0 0 1,-0.4 2,-0.2 -30,-0.2 -26,-0.1 0.338 59.3-122.4-117.6 4.2 36.3 3.8 19.3 137 138 A G - 0 0 0 19,-0.4 2,-0.5 -28,-0.1 -1,-0.4 -0.563 59.6 -10.3 90.0-156.1 37.8 0.4 20.2 138 139 A E + 0 0 10 -2,-0.2 41,-0.1 210,-0.1 40,-0.0 -0.743 68.0 152.7 -93.1 124.7 36.0 -2.7 21.6 139 140 A W - 0 0 18 -2,-0.5 5,-0.1 1,-0.0 -2,-0.0 -0.910 48.5 -72.7-142.8 165.3 32.5 -2.4 22.8 140 141 A P >> - 0 0 66 0, 0.0 4,-1.7 0, 0.0 3,-1.3 -0.288 43.8-113.0 -59.7 152.3 29.4 -4.7 23.1 141 142 A R H 3> S+ 0 0 95 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.878 116.9 62.4 -48.7 -41.9 27.6 -5.8 20.0 142 143 A E H 3> S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.851 102.5 49.7 -58.5 -35.2 24.6 -3.7 21.1 143 144 A Y H <> S+ 0 0 63 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.949 111.1 48.3 -69.6 -45.9 26.7 -0.5 20.9 144 145 A Y H X S+ 0 0 2 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.876 111.9 50.6 -59.2 -38.2 27.9 -1.3 17.4 145 146 A E H X S+ 0 0 63 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.928 109.5 49.5 -64.6 -47.6 24.3 -2.1 16.4 146 147 A K H X S+ 0 0 90 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.895 111.0 50.6 -57.9 -41.5 23.1 1.2 17.8 147 148 A W H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.5 0.857 109.6 49.8 -67.1 -34.0 25.8 3.1 16.0 148 149 A K H ><5S+ 0 0 67 -4,-1.8 3,-1.3 3,-0.2 -2,-0.2 0.931 110.9 49.2 -67.6 -44.6 24.9 1.4 12.7 149 150 A E H 3<5S+ 0 0 165 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.849 105.6 58.6 -61.0 -32.1 21.3 2.3 13.2 150 151 A A T 3<5S- 0 0 10 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.650 130.2 -97.0 -71.6 -16.8 22.4 5.9 14.0 151 152 A G T < 5 + 0 0 22 -3,-1.3 -19,-0.3 -4,-0.5 -3,-0.2 0.456 64.9 159.0 112.9 10.7 24.0 5.9 10.5 152 153 A A < - 0 0 0 -5,-2.5 -1,-0.2 1,-0.1 -19,-0.2 -0.332 19.1-168.9 -60.8 138.8 27.7 5.1 10.9 153 154 A D + 0 0 42 -21,-2.6 39,-2.3 1,-0.2 2,-0.3 0.771 60.6 20.3 -99.3 -36.8 29.1 3.8 7.7 154 155 A R E -hi 133 192C 7 -22,-1.9 -20,-2.4 37,-0.2 2,-0.4 -0.919 55.2-156.1-140.1 158.4 32.5 2.4 8.6 155 156 A Y E -hi 134 193C 0 37,-2.4 39,-2.7 -2,-0.3 2,-0.6 -0.982 7.3-154.1-141.2 126.5 34.5 1.2 11.6 156 157 A L E + i 0 194C 36 -22,-2.7 -19,-0.4 -2,-0.4 2,-0.3 -0.914 25.2 157.2-104.2 121.3 38.2 1.1 12.1 157 158 A L - 0 0 0 37,-2.9 39,-0.2 -2,-0.6 26,-0.1 -0.742 29.9-149.7-143.0 79.6 39.5 -1.6 14.5 158 159 A R - 0 0 47 37,-0.3 39,-0.2 -2,-0.3 37,-0.1 -0.299 9.5-142.8 -53.2 136.0 43.1 -2.4 13.8 159 160 A H - 0 0 0 37,-0.7 2,-2.3 1,-0.2 38,-0.2 0.663 23.9-158.5 -77.1 -14.6 43.8 -6.1 14.7 160 161 A E B +l 197 0D 1 36,-2.3 38,-2.0 2,-0.1 2,-0.3 -0.342 66.1 1.2 77.8 -57.1 47.3 -4.9 15.9 161 162 A T - 0 0 1 -2,-2.3 48,-0.1 36,-0.2 6,-0.1 -0.916 55.1-148.9-158.4 135.9 48.9 -8.3 15.7 162 163 A A S S+ 0 0 13 -2,-0.3 3,-0.1 46,-0.3 -2,-0.1 0.342 73.9 102.4 -88.1 5.7 47.5 -11.7 14.7 163 164 A N > - 0 0 40 1,-0.2 4,-2.8 2,-0.0 5,-0.2 -0.813 62.7-157.9 -86.8 112.1 49.8 -13.5 17.1 164 165 A P H > S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 12,-0.3 0.834 89.0 50.9 -68.1 -28.4 47.4 -14.4 19.9 165 166 A V H > S+ 0 0 90 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.963 114.9 41.9 -70.7 -47.4 50.2 -14.7 22.5 166 167 A L H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.891 113.1 55.2 -61.9 -43.3 51.8 -11.4 21.6 167 168 A H H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.924 107.9 47.4 -57.8 -48.5 48.4 -9.8 21.4 168 169 A R H < S+ 0 0 134 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.883 113.2 49.5 -64.9 -37.2 47.4 -10.8 25.0 169 170 A K H < S+ 0 0 138 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.7 39.6 -66.9 -37.5 50.7 -9.6 26.4 170 171 A L H < S+ 0 0 8 -4,-2.2 -103,-3.2 1,-0.2 -102,-0.4 0.720 125.1 38.0 -83.1 -20.7 50.5 -6.2 24.7 171 172 A R >< + 0 0 2 -4,-2.0 3,-2.2 -105,-0.2 -1,-0.2 -0.649 69.9 172.8-132.4 71.3 46.8 -5.8 25.3 172 173 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.594 71.4 62.0 -73.2 -5.5 46.2 -7.3 28.8 173 174 A D T 3 S+ 0 0 60 2,-0.0 2,-0.2 0, 0.0 -5,-0.1 0.537 118.1 6.7 -83.4 -9.9 42.6 -6.2 29.2 174 175 A T S < S- 0 0 2 -3,-2.2 2,-0.3 -6,-0.2 -3,-0.1 -0.560 70.3-118.6-153.6-159.7 41.6 -8.3 26.2 175 176 A S > - 0 0 24 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.983 31.2-106.7-158.0 162.4 42.6 -10.8 23.5 176 177 A F H > S+ 0 0 28 -12,-0.3 4,-3.1 -2,-0.3 5,-0.3 0.890 120.0 58.2 -61.9 -39.7 43.0 -11.5 19.8 177 178 A E H > S+ 0 0 136 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 108.3 45.4 -57.8 -42.8 39.9 -13.6 20.0 178 179 A N H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.922 113.0 50.5 -62.4 -46.2 37.9 -10.6 21.4 179 180 A R H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.929 112.3 46.4 -61.1 -46.7 39.3 -8.3 18.7 180 181 A L H X S+ 0 0 32 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.909 109.7 53.8 -61.1 -44.6 38.5 -10.8 16.0 181 182 A N H X S+ 0 0 79 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.918 109.1 50.2 -57.8 -40.4 34.9 -11.2 17.4 182 183 A C H X S+ 0 0 17 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.954 111.0 47.9 -59.2 -48.9 34.6 -7.4 17.2 183 184 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.884 112.6 48.6 -59.5 -42.1 35.7 -7.3 13.6 184 185 A L H X S+ 0 0 70 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.888 111.0 51.1 -66.6 -39.0 33.4 -10.2 12.6 185 186 A T H X S+ 0 0 26 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.921 108.7 50.9 -63.6 -46.5 30.5 -8.4 14.4 186 187 A L H <>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 4,-0.4 0.932 111.5 48.1 -56.0 -47.9 31.2 -5.2 12.6 187 188 A K H ><5S+ 0 0 78 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.934 109.9 51.9 -58.4 -44.5 31.2 -7.0 9.3 188 189 A E H 3<5S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.853 105.5 55.7 -61.0 -37.9 28.0 -8.8 10.1 189 190 A L T 3<5S- 0 0 38 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.509 121.3-107.1 -74.2 -6.4 26.3 -5.5 10.9 190 191 A G T < 5 + 0 0 51 -3,-1.6 -3,-0.2 -4,-0.4 2,-0.2 0.549 67.5 146.9 89.4 14.4 27.2 -4.2 7.4 191 192 A Y < - 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