==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 09-SEP-11 3TQB . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR M.C.FRANKLIN,M.CASSIDY,B.HILLERICH,J.LOVE . 152 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 12.5 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), 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 . 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 . 19 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 17.1 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 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 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 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 2 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 . 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 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 85 0, 0.0 2,-0.7 0, 0.0 91,-0.2 0.000 360.0 360.0 360.0 132.9 20.7 -13.6 5.0 2 2 A I E -a 92 0A 53 89,-2.1 91,-2.4 108,-0.0 2,-0.5 -0.900 360.0-153.5-101.6 112.1 17.3 -12.3 6.2 3 3 A I E -a 93 0A 17 -2,-0.7 107,-2.7 105,-0.3 108,-2.1 -0.760 17.1-173.0 -88.1 124.9 17.0 -8.6 5.8 4 4 A T E -ab 94 111A 0 89,-2.6 91,-3.8 -2,-0.5 2,-0.4 -0.966 15.3-154.1-126.2 131.8 14.6 -7.1 8.3 5 5 A L E -ab 95 112A 0 106,-2.0 108,-3.1 -2,-0.4 2,-0.4 -0.863 12.6-173.6-100.5 138.1 13.2 -3.5 8.6 6 6 A I E + b 0 113A 0 89,-2.2 2,-0.3 -2,-0.4 108,-0.2 -0.999 16.9 146.3-132.6 130.8 12.0 -2.3 12.0 7 7 A A E - b 0 114A 2 106,-1.3 108,-2.5 -2,-0.4 2,-0.5 -0.965 39.6-135.3-163.7 143.1 10.2 1.1 12.5 8 8 A A E + b 0 115A 6 -2,-0.3 2,-0.3 106,-0.2 108,-0.2 -0.904 41.1 157.6 -99.9 131.6 7.6 2.9 14.6 9 9 A M E - b 0 116A 2 106,-3.6 108,-1.7 -2,-0.5 6,-0.2 -0.913 31.7-124.4-147.5 169.9 5.2 5.0 12.6 10 10 A D E > - b 0 117A 2 4,-0.9 3,-2.0 -2,-0.3 108,-0.2 -0.398 49.3 -77.2-109.0-172.7 1.8 6.6 12.6 11 11 A K T 3 S+ 0 0 118 108,-1.2 109,-0.1 106,-0.9 107,-0.1 0.769 132.2 46.3 -60.2 -28.8 -1.3 6.5 10.3 12 12 A N T 3 S- 0 0 97 107,-0.4 -1,-0.3 109,-0.1 115,-0.1 0.083 120.5-106.4-100.1 22.3 0.5 8.9 7.8 13 13 A R < + 0 0 86 -3,-2.0 114,-2.9 1,-0.2 2,-0.3 0.780 63.1 162.3 58.5 32.6 3.8 6.9 7.9 14 14 A L E +H 126 0B 0 112,-0.2 -4,-0.9 1,-0.1 112,-0.2 -0.638 12.4 162.1 -81.7 138.2 5.5 9.7 10.0 15 15 A I E + 0 0 18 110,-1.8 2,-0.3 -2,-0.3 111,-0.2 0.634 54.9 24.5-125.7 -30.6 8.7 8.6 11.8 16 16 A G E -H 125 0B 8 109,-1.5 108,-1.5 5,-0.2 109,-0.6 -0.895 43.8-165.6-140.8 167.0 10.7 11.8 12.8 17 17 A R S S- 0 0 89 3,-2.5 3,-0.4 -2,-0.3 106,-0.1 -0.839 81.7 -17.4-156.3 112.5 10.5 15.5 13.6 18 18 A N S S- 0 0 117 -2,-0.3 3,-0.1 1,-0.2 105,-0.0 0.937 128.2 -51.0 51.5 52.4 13.6 17.8 13.7 19 19 A N S S+ 0 0 80 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.767 124.7 91.7 59.1 30.7 16.0 14.8 14.0 20 20 A E S S- 0 0 116 -3,-0.4 -3,-2.5 31,-0.0 -1,-0.2 -0.928 85.7 -91.9-142.8 165.5 13.9 13.3 16.9 21 21 A L - 0 0 46 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.691 29.6-141.2 -76.9 132.1 11.0 10.9 17.6 22 22 A P S S+ 0 0 20 0, 0.0 2,-0.2 0, 0.0 100,-0.1 0.420 81.5 26.2 -75.9 3.7 7.7 12.8 17.6 23 23 A W - 0 0 34 98,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.832 69.0-131.1-145.9-178.6 6.5 10.6 20.5 24 24 A H + 0 0 147 -2,-0.2 0, 0.0 4,-0.0 0, 0.0 -0.835 26.7 165.7-146.1 109.2 7.7 8.5 23.5 25 25 A L >> - 0 0 44 -2,-0.3 4,-1.8 1,-0.1 3,-1.0 -0.874 16.6-168.9-127.2 96.0 6.2 5.0 23.9 26 26 A P H 3> S+ 0 0 77 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.810 88.8 59.3 -52.4 -36.5 8.2 2.9 26.4 27 27 A A H 3> S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.870 107.9 45.3 -60.3 -39.3 6.3 -0.3 25.3 28 28 A D H <> S+ 0 0 1 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.838 111.6 52.1 -72.7 -35.4 7.6 0.2 21.8 29 29 A L H X S+ 0 0 33 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.825 109.8 48.6 -71.2 -33.2 11.1 0.9 22.9 30 30 A A H X S+ 0 0 61 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.855 111.2 50.7 -71.1 -38.4 11.1 -2.3 25.0 31 31 A H H X S+ 0 0 24 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.889 109.4 51.4 -61.8 -43.0 9.8 -4.2 21.9 32 32 A F H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.856 109.4 50.9 -61.6 -37.7 12.6 -2.6 19.9 33 33 A K H X S+ 0 0 89 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.937 110.9 45.1 -69.3 -48.9 15.2 -3.8 22.4 34 34 A S H < S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 115.3 48.9 -62.9 -39.0 14.1 -7.4 22.6 35 35 A I H < S+ 0 0 32 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 118.3 38.3 -68.8 -37.7 13.9 -7.7 18.8 36 36 A T H >< S+ 0 0 0 -4,-1.8 3,-1.4 -5,-0.2 -2,-0.2 0.588 85.7 120.3 -92.2 -12.8 17.3 -6.1 18.1 37 37 A L T 3< S+ 0 0 74 -4,-1.6 21,-0.1 1,-0.2 20,-0.1 -0.316 83.4 7.0 -61.2 129.4 19.3 -7.7 20.9 38 38 A G T 3 S+ 0 0 70 19,-1.2 -1,-0.2 1,-0.3 20,-0.1 0.732 111.7 100.2 73.7 25.3 22.2 -9.8 19.8 39 39 A K S < S- 0 0 65 -3,-1.4 20,-0.6 18,-0.2 2,-0.3 -0.926 79.6 -94.8-136.2 159.0 21.9 -8.8 16.1 40 40 A P E -c 59 0A 5 0, 0.0 54,-2.4 0, 0.0 2,-0.5 -0.601 36.1-161.3 -72.2 134.4 23.5 -6.4 13.7 41 41 A I E -cd 60 94A 0 18,-2.3 20,-3.2 -2,-0.3 2,-0.5 -0.976 1.2-160.7-121.4 118.3 21.7 -3.1 13.3 42 42 A V E +cd 61 95A 0 52,-2.6 54,-2.3 -2,-0.5 55,-0.4 -0.847 19.7 168.8 -98.4 131.3 22.3 -0.9 10.3 43 43 A M E -c 62 0A 0 18,-2.8 20,-2.9 -2,-0.5 55,-0.3 -0.949 34.2-107.4-138.6 157.1 21.4 2.8 10.6 44 44 A G > - 0 0 10 53,-1.8 4,-1.4 -2,-0.3 20,-0.1 -0.353 39.8-107.0 -74.6 166.3 21.8 6.1 8.7 45 45 A R H > S+ 0 0 78 18,-0.5 4,-1.6 1,-0.2 5,-0.1 0.848 119.1 49.7 -68.6 -36.9 24.1 8.8 10.1 46 46 A R H > S+ 0 0 163 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.823 105.8 58.0 -70.9 -32.2 21.3 11.1 11.3 47 47 A T H > S+ 0 0 18 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.867 104.7 51.4 -64.5 -36.7 19.6 8.2 13.1 48 48 A F H X S+ 0 0 23 -4,-1.4 4,-3.6 2,-0.2 -2,-0.2 0.928 109.2 49.7 -63.3 -45.5 22.8 7.7 15.1 49 49 A D H < S+ 0 0 76 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.829 106.8 57.1 -60.6 -33.9 22.7 11.3 16.0 50 50 A S H < S+ 0 0 39 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.900 113.6 38.2 -61.6 -42.6 19.1 10.8 17.0 51 51 A I H < S- 0 0 32 -4,-1.7 -2,-0.2 -3,-0.1 -1,-0.2 0.915 94.9-151.6 -76.0 -45.8 20.1 8.1 19.4 52 52 A G < + 0 0 53 -4,-3.6 -3,-0.1 -5,-0.1 -4,-0.1 0.062 66.2 31.6 99.1 -24.3 23.3 9.9 20.6 53 53 A K S S- 0 0 145 -5,-0.2 2,-0.1 20,-0.0 20,-0.1 -0.949 98.2 -72.3-152.2 168.2 25.4 6.8 21.5 54 54 A P - 0 0 41 0, 0.0 20,-0.1 0, 0.0 5,-0.0 -0.463 51.0-112.8 -65.9 138.0 25.8 3.2 20.4 55 55 A L > - 0 0 6 -2,-0.1 3,-0.9 1,-0.1 5,-0.1 -0.599 42.3-115.0 -69.3 124.5 23.0 0.9 21.4 56 56 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.213 90.7 18.5 -68.3 154.7 24.4 -1.5 24.0 57 57 A H T 3 S+ 0 0 149 1,-0.2 -19,-1.2 -20,-0.1 2,-0.3 0.673 109.5 94.8 64.7 21.9 24.8 -5.3 23.4 58 58 A R S < S- 0 0 20 -3,-0.9 2,-1.1 -21,-0.1 -1,-0.2 -0.998 82.1-114.3-144.9 142.5 24.5 -4.8 19.7 59 59 A R E -c 40 0A 103 -20,-0.6 -18,-2.3 -2,-0.3 2,-0.6 -0.681 37.2-151.6 -76.2 100.4 26.8 -4.3 16.7 60 60 A N E -ce 41 74A 4 -2,-1.1 15,-2.7 13,-0.6 2,-0.5 -0.677 12.4-169.3 -78.5 117.7 25.9 -0.8 15.7 61 61 A I E -ce 42 75A 0 -20,-3.2 -18,-2.8 -2,-0.6 2,-0.5 -0.952 1.8-164.7-112.4 124.5 26.5 -0.2 11.9 62 62 A V E -ce 43 76A 0 13,-2.8 15,-1.9 -2,-0.5 2,-0.3 -0.921 8.1-148.9-115.3 128.1 26.4 3.3 10.6 63 63 A I E + e 0 77A 20 -20,-2.9 -18,-0.5 -2,-0.5 2,-0.3 -0.727 32.4 147.5 -91.5 140.3 26.1 4.3 6.9 64 64 A T - 0 0 11 13,-1.6 -2,-0.0 -2,-0.3 -20,-0.0 -0.975 47.8-144.7-164.6 158.5 27.7 7.5 5.7 65 65 A Q S S+ 0 0 124 -2,-0.3 2,-0.7 14,-0.0 13,-0.1 0.532 72.0 107.4-102.6 -14.4 29.4 9.2 2.8 66 66 A Q > - 0 0 96 1,-0.2 3,-0.9 2,-0.1 -2,-0.0 -0.557 57.3-161.9 -66.8 109.7 31.8 11.1 5.0 67 67 A K T 3 S+ 0 0 113 -2,-0.7 -1,-0.2 1,-0.2 11,-0.0 0.680 85.0 41.8 -75.5 -20.2 35.0 9.2 4.3 68 68 A N T 3 S+ 0 0 151 2,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.344 83.4 127.0-103.9 4.5 37.0 10.5 7.3 69 69 A L < - 0 0 45 -3,-0.9 2,-0.4 1,-0.0 7,-0.0 -0.494 39.0-168.8 -72.1 121.0 34.1 10.2 9.8 70 70 A I - 0 0 146 -2,-0.4 2,-0.4 5,-0.0 5,-0.1 -0.888 3.3-170.4-109.2 139.9 35.0 8.2 12.9 71 71 A I > - 0 0 24 -2,-0.4 3,-1.1 3,-0.3 2,-0.4 -0.998 25.0-120.1-133.5 131.5 32.4 7.0 15.4 72 72 A E T 3 S+ 0 0 172 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.549 94.2 0.8 -72.4 121.7 33.1 5.5 18.8 73 73 A G T 3 S+ 0 0 62 -2,-0.4 -13,-0.6 1,-0.2 2,-0.3 0.488 110.6 97.4 83.6 5.4 31.6 2.0 19.2 74 74 A C E < -e 60 0A 13 -3,-1.1 2,-0.5 -15,-0.1 -3,-0.3 -0.926 69.1-127.5-123.5 150.5 30.1 1.7 15.7 75 75 A D E -e 61 0A 65 -15,-2.7 -13,-2.8 -2,-0.3 2,-0.5 -0.846 28.2-148.2 -92.7 132.2 31.3 0.1 12.4 76 76 A I E +e 62 0A 38 -2,-0.5 2,-0.3 -15,-0.2 -13,-0.2 -0.899 19.3 174.9-111.0 124.7 31.2 2.6 9.5 77 77 A F E -e 63 0A 44 -15,-1.9 -13,-1.6 -2,-0.5 3,-0.1 -0.879 30.8-134.7-122.1 159.9 30.5 1.6 5.9 78 78 A Y S S+ 0 0 104 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.1 0.367 83.8 17.1-100.9 3.0 30.1 3.9 2.9 79 79 A S S > S- 0 0 39 1,-0.1 4,-0.9 -14,-0.0 -1,-0.1 -0.962 73.4-114.1-162.3 160.8 27.0 2.2 1.3 80 80 A L H > S+ 0 0 1 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.844 116.9 56.6 -65.0 -34.6 24.2 -0.2 2.2 81 81 A D H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.860 104.2 50.5 -66.6 -38.8 25.7 -2.7 -0.3 82 82 A D H > S+ 0 0 82 2,-0.2 4,-1.3 3,-0.2 -1,-0.2 0.734 111.9 51.2 -68.8 -23.0 29.1 -2.7 1.5 83 83 A A H X S+ 0 0 0 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.953 113.3 41.0 -74.5 -55.3 27.2 -3.3 4.7 84 84 A L H < S+ 0 0 18 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.848 115.1 54.0 -61.1 -37.4 25.2 -6.3 3.4 85 85 A S H >< S+ 0 0 77 -4,-2.3 3,-1.1 -5,-0.2 -1,-0.2 0.905 108.7 47.7 -61.1 -44.1 28.3 -7.5 1.7 86 86 A A H 3< S+ 0 0 51 -4,-1.3 3,-0.3 1,-0.3 -2,-0.2 0.721 113.0 49.6 -72.1 -22.4 30.3 -7.4 4.9 87 87 A L T 3< S+ 0 0 2 -4,-1.4 3,-0.4 1,-0.2 -1,-0.3 -0.166 72.2 120.0-106.9 36.7 27.5 -9.2 6.8 88 88 A T S < S+ 0 0 93 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.875 75.0 52.1 -66.5 -37.7 27.1 -12.0 4.2 89 89 A K S S+ 0 0 209 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.650 90.9 100.4 -74.6 -17.1 28.0 -14.7 6.8 90 90 A E - 0 0 67 -3,-0.4 3,-0.1 1,-0.1 -3,-0.0 -0.345 66.8-145.0 -68.5 150.3 25.3 -13.3 9.2 91 91 A P S S+ 0 0 99 0, 0.0 -89,-2.1 0, 0.0 2,-0.3 0.850 82.1 13.0 -82.3 -38.0 21.9 -15.1 9.4 92 92 A E E -a 2 0A 42 -91,-0.2 2,-0.4 2,-0.0 -89,-0.2 -0.999 60.7-166.8-143.7 138.3 19.8 -11.9 10.0 93 93 A V E -a 3 0A 0 -91,-2.4 -89,-2.6 -2,-0.3 2,-0.5 -0.988 13.7-146.6-125.1 135.8 20.4 -8.2 9.6 94 94 A I E -ad 4 41A 0 -54,-2.4 -52,-2.6 -2,-0.4 2,-0.5 -0.900 4.6-159.7-109.7 120.1 18.1 -5.5 11.0 95 95 A I E +ad 5 42A 1 -91,-3.8 -89,-2.2 -2,-0.5 -52,-0.2 -0.852 11.6 177.1 -95.8 129.1 17.7 -2.1 9.2 96 96 A I - 0 0 2 -54,-2.3 2,-0.2 -2,-0.5 -53,-0.1 0.225 35.3-157.6-119.9 13.0 16.3 0.6 11.5 97 97 A G - 0 0 0 -55,-0.4 -53,-1.8 1,-0.2 -1,-0.4 -0.501 45.7-144.4 106.1-175.5 16.3 3.7 9.3 98 98 A G > - 0 0 19 -55,-0.3 4,-3.6 -2,-0.2 3,-0.3 0.368 57.8 -93.7 -85.1-147.4 16.2 6.5 8.5 99 99 A A H > S+ 0 0 37 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.852 123.5 46.7 -58.6 -44.7 14.1 7.3 5.4 100 100 A R H > S+ 0 0 166 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.832 116.9 45.3 -68.2 -34.0 16.9 7.0 2.8 101 101 A I H > S+ 0 0 13 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.936 113.9 48.9 -72.4 -49.2 18.1 3.8 4.4 102 102 A F H X S+ 0 0 5 -4,-3.6 4,-2.5 1,-0.2 -2,-0.2 0.891 111.0 51.9 -53.5 -43.4 14.5 2.4 4.6 103 103 A K H < S+ 0 0 150 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.919 113.3 41.9 -63.8 -47.1 13.9 3.4 1.0 104 104 A E H < S+ 0 0 83 -4,-1.6 4,-0.2 1,-0.2 -1,-0.2 0.834 118.5 47.1 -69.3 -33.5 17.0 1.6 -0.4 105 105 A A H >X S+ 0 0 2 -4,-2.4 3,-2.1 1,-0.2 4,-1.2 0.822 91.6 79.5 -77.9 -33.8 16.4 -1.4 1.9 106 106 A L G >< S+ 0 0 22 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.861 92.6 49.7 -45.1 -49.7 12.7 -1.9 1.2 107 107 A P G 34 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.697 118.0 40.9 -66.0 -17.8 13.2 -3.7 -2.2 108 108 A K G <4 S+ 0 0 88 -3,-2.1 -105,-0.3 -4,-0.2 -2,-0.2 0.466 91.1 115.4-102.3 -5.9 15.8 -6.0 -0.5 109 109 A A << - 0 0 0 -4,-1.2 -105,-0.2 -3,-0.9 3,-0.1 -0.441 38.7-177.4 -75.6 135.6 13.8 -6.6 2.7 110 110 A D S S+ 0 0 51 -107,-2.7 42,-2.8 1,-0.2 2,-0.3 0.829 71.2 23.8 -91.6 -43.8 12.5 -10.1 3.6 111 111 A K E -bF 4 151A 49 -108,-2.1 -106,-2.0 40,-0.2 2,-0.4 -0.831 60.6-157.4-124.4 158.2 10.7 -9.2 6.8 112 112 A M E -bF 5 150A 0 38,-2.8 38,-3.2 -2,-0.3 2,-0.6 -0.985 5.5-172.2-137.3 128.4 9.1 -6.1 8.5 113 113 A I E +bF 6 149A 4 -108,-3.1 -106,-1.3 -2,-0.4 2,-0.4 -0.878 28.3 170.8-116.6 94.7 8.5 -5.5 12.2 114 114 A L E -bF 7 148A 0 34,-3.0 34,-3.1 -2,-0.6 2,-0.6 -0.861 31.0-149.2-117.6 140.8 6.5 -2.3 12.3 115 115 A T E -bF 8 147A 0 -108,-2.5 -106,-3.6 -2,-0.4 2,-0.5 -0.934 17.6-165.1-105.7 115.9 4.6 -0.4 15.0 116 116 A I E -bF 9 146A 42 30,-1.5 30,-1.0 -2,-0.6 2,-0.4 -0.892 5.0-154.9-106.0 131.4 1.6 1.5 13.7 117 117 A I E -b 10 0A 22 -108,-1.7 2,-2.1 -2,-0.5 -106,-0.9 -0.889 18.2-131.4-113.8 131.2 0.0 4.2 15.9 118 118 A N S S+ 0 0 142 -2,-0.4 2,-0.3 -108,-0.2 -108,-0.1 -0.500 75.7 87.6 -79.7 75.2 -3.6 5.4 15.7 119 119 A H S S- 0 0 96 -2,-2.1 -108,-1.2 2,-0.0 2,-0.7 -0.972 72.1-124.3-165.4 155.4 -2.7 9.1 15.8 120 120 A S - 0 0 82 -2,-0.3 2,-0.2 -110,-0.1 -2,-0.1 -0.879 36.3-179.2-112.4 99.0 -1.9 12.0 13.4 121 121 A F - 0 0 62 -2,-0.7 2,-0.3 -107,-0.0 -109,-0.1 -0.573 26.8-116.8 -95.4 158.6 1.4 13.7 14.4 122 122 A E + 0 0 165 -2,-0.2 2,-0.3 -100,-0.1 -1,-0.0 -0.736 53.5 122.9 -90.7 142.6 3.3 16.6 12.9 123 123 A G - 0 0 25 -2,-0.3 -106,-0.2 1,-0.1 3,-0.1 -0.954 53.8-125.5-173.7-169.1 6.8 16.0 11.4 124 124 A D S S+ 0 0 82 -108,-1.5 2,-0.3 -2,-0.3 -107,-0.2 0.658 81.8 61.7-127.4 -45.0 9.1 16.2 8.4 125 125 A V E -H 16 0B 63 -109,-0.6 -110,-1.8 -26,-0.0 -109,-1.5 -0.683 63.2-171.1 -93.8 147.1 10.7 12.7 7.7 126 126 A Y E -H 14 0B 104 -2,-0.3 -112,-0.2 -112,-0.2 -113,-0.1 -0.877 29.6-103.3-134.4 161.1 8.5 9.7 6.7 127 127 A F - 0 0 1 -114,-2.9 2,-0.1 -2,-0.3 -28,-0.1 -0.754 48.3-111.1 -83.4 129.6 8.8 5.9 6.2 128 128 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.393 40.0 -99.4 -68.8 140.0 8.8 5.1 2.4 129 129 A E - 0 0 136 -2,-0.1 2,-0.2 1,-0.1 -3,-0.0 -0.339 33.6-158.8 -71.1 129.0 5.7 3.4 1.2 130 130 A W - 0 0 48 -2,-0.2 2,-0.8 -24,-0.0 -1,-0.1 -0.491 28.8-103.2 -92.6 169.5 5.5 -0.4 0.6 131 131 A N >> - 0 0 75 -2,-0.2 3,-3.4 1,-0.1 4,-0.6 -0.830 21.7-153.3-101.5 102.8 3.1 -2.3 -1.6 132 132 A D G >4 S+ 0 0 102 -2,-0.8 3,-0.5 1,-0.3 -1,-0.1 0.718 93.8 59.7 -47.2 -29.2 0.3 -4.0 0.5 133 133 A K G 34 S+ 0 0 171 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.446 100.5 56.4 -82.2 -0.3 -0.2 -6.7 -2.1 134 134 A E G <4 S+ 0 0 102 -3,-3.4 2,-0.3 2,-0.0 -1,-0.2 0.595 100.3 66.0 -99.5 -16.8 3.5 -7.8 -1.9 135 135 A W << - 0 0 22 -4,-0.6 2,-0.4 -3,-0.5 17,-0.2 -0.741 63.2-146.5-115.3 156.0 3.5 -8.6 1.9 136 136 A K E -G 151 0A 145 15,-1.8 15,-2.5 -2,-0.3 2,-0.8 -0.984 21.6-128.4-123.4 122.8 1.9 -11.1 4.2 137 137 A I E +G 150 0A 82 -2,-0.4 13,-0.3 13,-0.2 3,-0.1 -0.578 29.8 174.3 -72.1 107.6 1.0 -10.2 7.8 138 138 A T E + 0 0 78 11,-1.6 2,-0.4 -2,-0.8 -1,-0.2 0.957 66.2 12.9 -77.2 -55.6 2.5 -12.9 10.0 139 139 A S E -G 149 0A 42 10,-1.0 10,-3.2 2,-0.0 2,-0.3 -0.965 56.3-179.9-129.9 142.6 1.7 -11.5 13.5 140 140 A Q E -G 148 0A 91 -2,-0.4 2,-0.7 8,-0.2 8,-0.2 -0.823 4.3-177.4-144.7 99.3 -0.6 -8.7 14.7 141 141 A I E -G 147 0A 82 6,-2.0 6,-1.7 -2,-0.3 2,-0.6 -0.886 12.7-156.0-103.1 113.6 -0.8 -7.9 18.4 142 142 A K E G 146 0A 151 -2,-0.7 4,-0.2 4,-0.2 -2,-0.0 -0.803 360.0 360.0 -93.8 118.7 -3.3 -5.1 19.2 143 143 A H 0 0 128 2,-1.6 -2,-0.0 -2,-0.6 -1,-0.0 -0.887 360.0 360.0-106.2 360.0 -2.5 -3.2 22.5 144 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 145 153 A F 0 0 63 0, 0.0 -2,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 174.0 -0.7 1.1 18.7 146 154 A Q E -FG 116 142A 46 -30,-1.0 -30,-1.5 -4,-0.2 2,-0.9 -0.964 360.0-122.9-157.6 137.5 0.0 -2.4 17.5 147 155 A F E -FG 115 141A 24 -6,-1.7 -6,-2.0 -2,-0.3 2,-0.6 -0.730 37.0-170.8 -81.0 105.3 3.1 -4.7 16.8 148 156 A L E -FG 114 140A 11 -34,-3.1 -34,-3.0 -2,-0.9 2,-0.5 -0.889 7.8-168.0-108.3 114.0 2.6 -5.6 13.1 149 157 A E E -FG 113 139A 46 -10,-3.2 -11,-1.6 -2,-0.6 -10,-1.0 -0.898 8.5-177.0-101.7 123.9 4.9 -8.3 11.7 150 158 A L E -FG 112 137A 7 -38,-3.2 -38,-2.8 -2,-0.5 2,-0.4 -0.886 7.6-165.9-118.2 152.7 5.0 -8.7 7.9 151 159 A R E FG 111 136A 92 -15,-2.5 -15,-1.8 -2,-0.3 -40,-0.2 -0.992 360.0 360.0-141.7 128.0 6.8 -11.2 5.7 152 160 A R 0 0 108 -42,-2.8 -1,-0.1 -2,-0.4 -41,-0.1 0.970 360.0 360.0 -74.7 360.0 7.4 -11.1 1.9 153 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 154 2001 A X 0 0 88 0, 0.0 -125,-0.1 0, 0.0 -124,-0.1 0.000 360.0 360.0 360.0 360.0 16.9 1.6 23.5