==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JAN-09 3FQZ . COMPND 2 MOLECULE: TRIMETHOPRIM-SENSITIVE DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS RF122; . AUTHOR A.C.ANDERSON,K.M.FREY,J.LIU,M.N.LOMBARDO . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 14.6 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 17 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 13.4 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 2 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 0 2 1 1 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 . 1 1 0 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 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 T 0 0 96 0, 0.0 88,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 138.9 -21.7 -10.9 24.2 2 2 A L E +a 89 0A 19 86,-0.2 104,-2.3 102,-0.1 105,-1.1 -0.978 360.0 171.0-116.2 118.4 -20.8 -12.7 27.4 3 3 A S E -ab 90 107A 0 86,-2.9 88,-3.4 -2,-0.5 2,-0.4 -0.885 32.0-128.8-126.5 152.6 -21.1 -10.6 30.6 4 4 A I E -ab 91 108A 0 103,-2.0 105,-3.1 -2,-0.3 2,-0.4 -0.816 19.7-166.4 -91.1 142.1 -21.0 -10.9 34.3 5 5 A L E + b 0 109A 4 86,-2.6 2,-0.3 -2,-0.4 105,-0.2 -0.966 26.9 144.0-130.0 115.0 -23.9 -9.4 36.3 6 6 A V E - b 0 110A 12 103,-2.4 105,-2.6 -2,-0.4 2,-0.4 -0.993 41.4-147.7-152.8 150.4 -23.3 -9.2 40.0 7 7 A A E + b 0 111A 13 -2,-0.3 2,-0.3 103,-0.2 105,-0.2 -0.997 31.6 167.6-117.3 125.9 -23.9 -7.1 43.2 8 8 A H E - b 0 112A 8 103,-2.4 105,-3.1 -2,-0.4 6,-0.2 -0.976 26.6-126.7-137.4 154.4 -21.1 -7.3 45.8 9 9 A D E > - b 0 113A 0 4,-1.8 3,-2.1 -2,-0.3 105,-0.2 -0.115 48.9 -75.9 -88.1-170.7 -20.2 -5.4 48.9 10 10 A L T 3 S+ 0 0 87 105,-2.4 106,-0.1 103,-0.6 104,-0.1 0.689 136.0 40.1 -61.7 -19.7 -17.0 -3.7 49.9 11 11 A Q T 3 S- 0 0 97 104,-0.3 -1,-0.3 2,-0.1 105,-0.1 0.131 123.3-101.9-114.5 17.4 -15.4 -7.0 50.7 12 12 A R < + 0 0 76 -3,-2.1 111,-2.8 1,-0.2 2,-0.2 0.576 64.4 160.4 69.7 16.6 -16.9 -8.8 47.7 13 13 A V E +H 122 0B 2 109,-0.2 -4,-1.8 1,-0.2 109,-0.3 -0.480 10.8 168.1 -60.6 133.1 -19.7 -10.6 49.7 14 14 A I E + 0 0 20 107,-3.1 2,-0.3 1,-0.3 108,-0.2 0.494 58.9 13.6-119.3 -14.8 -22.5 -11.7 47.4 15 15 A G E -H 121 0B 8 106,-1.5 105,-2.6 5,-0.2 106,-1.4 -0.995 45.2-165.3-159.8 158.4 -24.5 -13.9 49.7 16 16 A F B > S-I 19 0C 63 3,-2.5 3,-1.3 -2,-0.3 103,-0.1 -0.903 79.6 -17.4-149.9 123.9 -25.3 -15.2 53.2 17 17 A E T 3 S- 0 0 134 -2,-0.3 3,-0.1 1,-0.3 102,-0.0 0.898 126.9 -49.1 46.9 54.1 -27.3 -18.4 54.0 18 18 A N T 3 S+ 0 0 125 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.576 121.9 91.9 70.1 13.8 -28.9 -18.7 50.6 19 19 A Q B < S-I 16 0C 144 -3,-1.3 -3,-2.5 31,-0.0 -1,-0.2 -0.914 84.8-100.2-134.4 157.3 -30.0 -15.0 50.5 20 20 A L - 0 0 93 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.0 -0.664 34.9-138.1 -67.5 133.2 -28.8 -11.7 49.3 21 21 A P S S+ 0 0 38 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.676 79.8 44.7 -71.4 -16.6 -27.5 -10.0 52.5 22 22 A W S S- 0 0 18 95,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.763 74.2-127.7-123.9 165.8 -29.1 -6.6 51.6 23 23 A H + 0 0 138 -2,-0.2 123,-0.4 4,-0.0 124,-0.2 -0.964 37.9 154.1-117.6 113.6 -32.4 -5.2 50.3 24 24 A L >> - 0 0 7 -2,-0.5 4,-1.4 121,-0.1 3,-1.3 -0.690 19.4-178.7-143.6 83.1 -32.0 -2.9 47.3 25 25 A P H 3> S+ 0 0 34 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.813 84.6 63.5 -50.7 -35.1 -35.0 -2.6 45.0 26 26 A N H 3> S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.838 102.6 48.9 -59.3 -36.9 -33.0 -0.2 42.7 27 27 A D H <> S+ 0 0 9 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.875 107.1 54.1 -73.3 -36.6 -30.6 -3.0 42.0 28 28 A L H X S+ 0 0 99 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.888 108.8 50.4 -61.6 -37.9 -33.4 -5.5 41.2 29 29 A K H X S+ 0 0 127 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.893 108.0 53.3 -62.6 -42.4 -34.6 -2.8 38.7 30 30 A H H X S+ 0 0 26 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.920 109.7 47.6 -57.4 -48.1 -31.1 -2.6 37.2 31 31 A V H X S+ 0 0 15 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.920 111.7 50.3 -58.4 -47.7 -31.1 -6.4 36.7 32 32 A K H X S+ 0 0 124 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.898 111.8 47.9 -59.4 -44.4 -34.5 -6.3 35.1 33 33 A K H < S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 117.1 41.1 -64.0 -44.3 -33.5 -3.6 32.7 34 34 A L H < S+ 0 0 37 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.897 124.1 33.1 -71.9 -40.2 -30.2 -5.2 31.7 35 35 A S H >< S+ 0 0 0 -4,-2.6 3,-2.2 -5,-0.2 -3,-0.2 0.590 81.0 114.3-104.1 -13.5 -31.4 -8.8 31.3 36 36 A T T 3< S+ 0 0 51 -4,-1.7 21,-0.2 -5,-0.3 20,-0.1 -0.382 90.4 16.4 -59.2 131.6 -35.0 -8.7 30.1 37 37 A G T 3 S+ 0 0 59 19,-3.1 -1,-0.3 1,-0.3 20,-0.2 0.524 121.1 75.9 79.5 6.1 -35.1 -10.2 26.6 38 38 A H S < S- 0 0 76 -3,-2.2 20,-2.9 18,-0.2 2,-0.4 -0.264 85.7 -78.8-124.4-149.9 -31.7 -11.8 27.1 39 39 A T E -cd 58 89A 10 49,-1.8 51,-3.0 18,-0.2 2,-0.4 -0.981 24.0-162.2-128.7 134.5 -30.2 -14.9 28.9 40 40 A L E -cd 59 90A 0 18,-2.9 20,-3.1 -2,-0.4 2,-0.5 -0.948 8.2-164.9-107.6 134.4 -29.2 -15.5 32.5 41 41 A V E +cd 60 91A 0 49,-2.6 51,-3.1 -2,-0.4 52,-0.7 -0.987 18.2 167.2-117.5 126.1 -26.9 -18.4 33.3 42 42 A M E -cd 61 93A 0 18,-2.7 20,-2.8 -2,-0.5 52,-0.2 -0.971 35.5-107.9-138.4 154.1 -26.7 -19.5 36.9 43 43 A G E > -c 62 0A 14 50,-2.2 4,-2.2 -2,-0.3 5,-0.2 -0.317 42.6-103.4 -70.8 163.9 -25.4 -22.4 39.0 44 44 A R H > S+ 0 0 117 18,-1.2 4,-2.4 1,-0.2 5,-0.2 0.866 119.9 51.7 -59.1 -41.2 -27.8 -24.8 40.6 45 45 A K H > S+ 0 0 144 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.886 108.0 51.4 -67.1 -39.6 -27.5 -23.3 44.1 46 46 A T H > S+ 0 0 28 2,-0.2 4,-1.3 1,-0.2 3,-0.2 0.934 110.8 49.3 -60.5 -45.9 -28.2 -19.7 42.8 47 47 A F H >X S+ 0 0 1 -4,-2.2 4,-3.2 1,-0.2 3,-0.7 0.937 110.4 49.4 -60.0 -46.9 -31.3 -20.9 41.1 48 48 A E H 3< S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.773 103.4 60.7 -67.1 -23.7 -32.6 -22.7 44.1 49 49 A S H 3< S+ 0 0 54 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.846 114.6 35.7 -69.5 -32.7 -32.0 -19.7 46.3 50 50 A I H << S- 0 0 73 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.835 93.7-157.2 -87.7 -37.0 -34.4 -17.8 44.1 51 51 A G < + 0 0 37 -4,-3.2 -3,-0.1 -5,-0.2 -4,-0.1 0.060 64.1 50.4 91.2 -25.0 -36.7 -20.8 43.5 52 52 A K S S- 0 0 163 -5,-0.2 20,-0.1 18,-0.0 18,-0.0 -0.982 89.3 -98.4-143.6 149.3 -38.4 -19.7 40.3 53 53 A P - 0 0 36 0, 0.0 20,-0.1 0, 0.0 5,-0.0 -0.304 41.8-107.9 -65.8 154.0 -37.1 -18.4 36.9 54 54 A L > - 0 0 53 1,-0.1 3,-0.6 18,-0.1 -14,-0.1 -0.718 42.8-112.2 -83.9 132.3 -37.1 -14.7 36.3 55 55 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.196 87.3 24.4 -69.2 155.7 -39.8 -13.7 33.8 56 56 A N T 3 S+ 0 0 124 1,-0.2 -19,-3.1 -20,-0.1 2,-0.3 0.733 108.9 67.8 68.7 28.3 -39.3 -12.3 30.2 57 57 A R S < S- 0 0 33 -3,-0.6 2,-0.4 -21,-0.2 -18,-0.2 -0.965 90.9 -85.5-160.5 167.1 -35.8 -13.8 29.6 58 58 A R E -c 39 0A 84 -20,-2.9 -18,-2.9 -2,-0.3 2,-0.6 -0.660 36.5-155.9 -80.3 130.7 -34.1 -17.1 29.1 59 59 A N E -c 40 0A 4 13,-0.4 15,-2.9 -2,-0.4 2,-0.5 -0.947 11.9-174.8-109.3 114.9 -33.2 -18.8 32.4 60 60 A V E -ce 41 74A 0 -20,-3.1 -18,-2.7 -2,-0.6 2,-0.5 -0.940 5.8-162.0-113.5 125.8 -30.3 -21.3 32.1 61 61 A V E -ce 42 75A 0 13,-2.7 15,-2.6 -2,-0.5 2,-0.6 -0.924 8.4-147.9-111.9 128.8 -29.2 -23.5 35.0 62 62 A L E +ce 43 76A 24 -20,-2.8 -18,-1.2 -2,-0.5 2,-0.3 -0.847 37.1 142.7 -95.0 121.2 -25.8 -25.2 35.1 63 63 A T - 0 0 14 13,-2.1 -2,-0.0 -2,-0.6 -20,-0.0 -0.985 53.9-139.0-153.2 154.2 -25.9 -28.5 37.1 64 64 A S S S+ 0 0 113 -2,-0.3 2,-0.7 3,-0.0 13,-0.1 0.464 74.6 111.6 -88.3 -5.9 -24.5 -32.1 37.0 65 65 A D > - 0 0 75 1,-0.2 3,-0.8 2,-0.1 -2,-0.1 -0.614 51.5-167.0 -76.7 109.0 -27.9 -33.4 37.9 66 66 A T T 3 S+ 0 0 126 -2,-0.7 -1,-0.2 1,-0.2 11,-0.0 0.597 88.2 52.4 -72.5 -12.8 -29.3 -35.3 34.9 67 67 A S T 3 S+ 0 0 99 2,-0.0 -1,-0.2 -3,-0.0 -2,-0.1 0.583 77.6 125.8 -94.6 -14.7 -32.8 -35.4 36.5 68 68 A F < + 0 0 25 -3,-0.8 2,-0.3 1,-0.0 7,-0.1 -0.225 30.5 159.9 -53.9 124.1 -32.9 -31.7 37.1 69 69 A N + 0 0 145 5,-0.1 2,-0.4 2,-0.0 5,-0.1 -0.912 10.6 169.1-154.5 119.3 -36.1 -30.3 35.5 70 70 A V > - 0 0 37 3,-0.4 3,-1.8 -2,-0.3 2,-0.1 -0.999 41.0-105.2-135.2 135.3 -37.9 -27.1 36.2 71 71 A E T 3 S+ 0 0 181 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.382 107.6 12.8 -55.2 125.0 -40.7 -25.4 34.3 72 72 A G T 3 S+ 0 0 57 1,-0.2 -13,-0.4 -2,-0.1 2,-0.4 0.610 105.6 108.8 80.5 15.1 -39.3 -22.4 32.4 73 73 A V < - 0 0 15 -3,-1.8 2,-0.4 -15,-0.1 -3,-0.4 -0.986 56.0-150.0-125.9 130.8 -35.7 -23.3 32.9 74 74 A D E -e 60 0A 73 -15,-2.9 -13,-2.7 -2,-0.4 2,-0.4 -0.849 21.4-142.8 -94.8 135.6 -33.2 -24.6 30.3 75 75 A V E -e 61 0A 43 -2,-0.4 2,-0.3 -15,-0.2 -13,-0.2 -0.803 18.1-177.2-105.6 138.0 -30.6 -26.9 31.7 76 76 A I E -e 62 0A 17 -15,-2.6 -13,-2.1 -2,-0.4 3,-0.1 -0.934 13.5-163.3-125.7 155.9 -26.9 -27.2 30.7 77 77 A H + 0 0 98 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.1 0.395 69.2 45.1-120.4 -0.0 -24.3 -29.7 32.1 78 78 A S S > S- 0 0 52 1,-0.1 3,-0.7 -14,-0.0 4,-0.4 -0.989 71.2-127.0-144.2 149.9 -21.0 -28.1 31.1 79 79 A I G >> S+ 0 0 36 -2,-0.3 3,-2.0 1,-0.2 4,-0.6 0.890 111.6 64.3 -57.1 -40.4 -19.3 -24.7 31.0 80 80 A E G >4 S+ 0 0 121 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.788 90.3 66.2 -56.7 -29.6 -18.6 -25.3 27.3 81 81 A D G X4 S+ 0 0 63 -3,-0.7 3,-1.2 1,-0.2 -1,-0.3 0.767 88.4 68.0 -61.5 -28.5 -22.4 -25.3 26.8 82 82 A I G X4 S+ 0 0 3 -3,-2.0 3,-1.8 -4,-0.4 -1,-0.2 0.899 92.5 57.6 -59.7 -42.1 -22.5 -21.6 27.8 83 83 A Y G << S+ 0 0 94 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.599 100.3 59.0 -68.0 -12.1 -20.6 -20.5 24.6 84 84 A Q G < S+ 0 0 158 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.450 80.1 106.9 -94.5 -4.4 -23.3 -22.1 22.4 85 85 A L < - 0 0 22 -3,-1.8 2,-0.1 -4,-0.3 4,-0.1 -0.638 69.3-130.8 -78.6 126.1 -26.0 -19.9 23.9 86 86 A P + 0 0 90 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.441 60.6 9.2 -76.6 151.9 -27.2 -17.2 21.4 87 87 A G S S- 0 0 57 -2,-0.1 2,-0.6 2,-0.1 -49,-0.1 -0.415 112.4 -14.1 90.4-159.7 -27.5 -13.5 22.1 88 88 A H - 0 0 37 -51,-0.2 -49,-1.8 -2,-0.1 2,-0.5 -0.748 67.3-165.8 -84.6 119.3 -26.4 -11.5 25.2 89 89 A V E -ad 2 39A 4 -88,-2.7 -86,-2.9 -2,-0.6 2,-0.6 -0.931 5.4-160.2-113.3 126.4 -25.6 -14.0 27.9 90 90 A F E -ad 3 40A 1 -51,-3.0 -49,-2.6 -2,-0.5 2,-0.6 -0.939 15.1-140.7-108.1 118.4 -25.3 -12.8 31.6 91 91 A I E -ad 4 41A 0 -88,-3.4 -86,-2.6 -2,-0.6 -49,-0.2 -0.717 27.1-178.7 -72.8 118.9 -23.4 -15.0 34.1 92 92 A F E + 0 0 40 -51,-3.1 2,-0.2 -2,-0.6 -50,-0.2 0.574 32.6 117.4-108.6 -18.3 -25.7 -14.4 37.1 93 93 A G E - d 0 42A 3 -52,-0.7 -50,-2.2 1,-0.1 -1,-0.4 -0.791 57.9 -67.8 149.9 169.4 -24.1 -16.4 40.0 94 94 A G > - 0 0 13 -52,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.391 55.4 -98.3-108.3-140.1 -23.0 -17.8 42.2 95 95 A Q H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.933 120.5 50.3 -56.9 -48.0 -19.4 -17.8 43.6 96 96 A T H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.938 113.4 43.8 -59.5 -49.6 -18.6 -21.1 41.9 97 97 A L H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.914 112.9 52.2 -64.8 -41.9 -19.8 -20.0 38.4 98 98 A F H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.913 108.5 51.6 -58.1 -43.5 -18.1 -16.5 38.8 99 99 A E H < S+ 0 0 101 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.884 113.1 45.5 -60.6 -38.5 -14.8 -18.2 39.7 100 100 A E H < S+ 0 0 85 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.729 123.7 33.5 -74.4 -23.2 -15.1 -20.4 36.5 101 101 A M H >X S+ 0 0 0 -4,-1.5 3,-2.2 -3,-0.3 4,-1.4 0.610 86.6 89.9-113.0 -17.8 -16.1 -17.5 34.3 102 102 A I T 3< S+ 0 0 13 -4,-2.4 3,-0.2 1,-0.3 -3,-0.1 0.856 93.1 48.4 -58.1 -37.2 -14.4 -14.2 35.4 103 103 A D T 34 S+ 0 0 124 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.508 114.6 49.0 -76.5 -3.7 -11.4 -14.9 33.1 104 104 A K T <4 S+ 0 0 121 -3,-2.2 -2,-0.2 0, 0.0 -1,-0.2 0.655 86.0 98.6-108.9 -23.2 -13.7 -15.6 30.1 105 105 A V < - 0 0 0 -4,-1.4 -102,-0.2 -3,-0.2 3,-0.1 -0.348 62.8-141.0 -79.1 152.2 -16.2 -12.8 30.0 106 106 A D S S- 0 0 84 -104,-2.3 50,-2.0 1,-0.2 2,-0.3 0.866 80.8 -12.7 -70.9 -40.6 -16.1 -9.7 27.7 107 107 A D E -bF 3 155A 13 -105,-1.1 -103,-2.0 48,-0.2 2,-0.4 -0.933 60.7-128.6-156.8 171.8 -17.3 -7.3 30.4 108 108 A M E -bF 4 154A 0 46,-2.8 46,-3.1 -2,-0.3 2,-0.7 -0.999 1.2-155.9-137.5 135.0 -18.9 -7.0 33.9 109 109 A Y E -bF 5 153A 39 -105,-3.1 -103,-2.4 -2,-0.4 2,-0.5 -0.940 30.2-179.6-106.1 104.6 -21.9 -5.1 35.2 110 110 A I E -bF 6 152A 0 42,-2.2 42,-3.6 -2,-0.7 2,-0.7 -0.915 25.1-157.0-114.9 129.5 -21.2 -4.8 38.9 111 111 A T E -bF 7 151A 1 -105,-2.6 -103,-2.4 -2,-0.5 2,-0.7 -0.927 18.2-152.6 -98.1 110.3 -23.3 -3.1 41.6 112 112 A V E -bF 8 150A 19 38,-3.0 38,-2.1 -2,-0.7 2,-0.7 -0.794 3.5-152.2 -86.0 116.7 -20.8 -2.1 44.3 113 113 A I E -bF 9 149A 0 -105,-3.1 2,-2.4 -2,-0.7 -103,-0.6 -0.823 11.7-140.4 -91.3 116.9 -22.8 -2.1 47.6 114 114 A E + 0 0 77 34,-2.8 2,-0.3 -2,-0.7 -105,-0.1 -0.275 69.5 80.5 -84.3 57.3 -20.9 0.4 49.8 115 115 A G S S- 0 0 16 -2,-2.4 -105,-2.4 32,-0.1 2,-0.5 -0.917 76.4-116.4-147.1 172.3 -21.2 -1.5 53.1 116 116 A K + 0 0 147 -2,-0.3 2,-0.3 -107,-0.2 -2,-0.1 -0.951 38.4 177.9-119.8 109.8 -19.6 -4.5 54.9 117 117 A F - 0 0 60 -2,-0.5 2,-0.4 -104,-0.0 -104,-0.1 -0.715 37.3-101.8-108.8 155.9 -22.0 -7.4 55.4 118 118 A R + 0 0 191 -2,-0.3 2,-0.3 -97,-0.1 -1,-0.0 -0.674 55.8 173.7 -70.4 129.1 -21.6 -10.8 57.0 119 119 A G - 0 0 23 -2,-0.4 -103,-0.3 1,-0.1 3,-0.1 -0.934 43.8-173.1-139.5 163.1 -21.2 -13.3 54.1 120 120 A D S S+ 0 0 77 -105,-2.6 2,-0.4 -2,-0.3 -104,-0.2 0.299 80.6 60.7-128.6 4.0 -20.5 -16.9 53.2 121 121 A T E -H 15 0B 40 -106,-1.4 -107,-3.1 -26,-0.0 -106,-1.5 -1.000 67.2-168.2-140.2 131.9 -20.3 -16.4 49.4 122 122 A F E -H 13 0B 73 -2,-0.4 -109,-0.2 -109,-0.3 -110,-0.1 -0.933 24.8-127.5-131.6 141.3 -17.9 -14.2 47.5 123 123 A F - 0 0 0 -111,-2.8 3,-0.1 -2,-0.3 -28,-0.1 -0.624 50.5-100.1 -74.4 142.6 -17.2 -12.7 44.1 124 124 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -112,-0.0 -0.314 42.6 -93.2 -65.0 149.8 -13.6 -13.5 43.1 125 125 A P + 0 0 98 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 -0.279 49.5 177.2 -56.4 146.1 -10.9 -10.8 43.5 126 126 A Y - 0 0 52 -3,-0.1 2,-0.4 5,-0.0 -3,-0.0 -0.977 20.1-135.3-148.8 156.1 -10.2 -8.6 40.4 127 127 A T > - 0 0 64 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.922 14.9-136.5-118.2 139.9 -8.0 -5.7 39.7 128 128 A F T 3 S+ 0 0 101 -2,-0.4 3,-0.2 1,-0.3 5,-0.1 0.600 101.0 78.0 -67.3 -10.4 -8.8 -2.4 37.8 129 129 A E T 3 S+ 0 0 150 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.752 101.8 39.0 -63.3 -24.9 -5.5 -2.9 36.0 130 130 A D S < S+ 0 0 79 -3,-1.9 27,-2.6 1,-0.1 2,-0.4 0.560 114.0 62.7 -98.0 -12.6 -7.4 -5.5 33.9 131 131 A W E -G 156 0A 9 -4,-0.4 2,-0.3 25,-0.2 25,-0.2 -0.964 64.9-147.7-132.1 120.5 -10.7 -3.5 33.6 132 132 A E E -G 155 0A 122 23,-2.9 23,-2.3 -2,-0.4 2,-1.1 -0.632 26.1-123.7 -80.2 137.2 -11.6 -0.2 32.0 133 133 A V E +G 154 0A 72 -2,-0.3 21,-0.2 21,-0.2 3,-0.1 -0.701 31.5 176.4 -82.9 99.5 -14.4 1.7 33.7 134 134 A A E S- 0 0 50 19,-2.4 2,-0.3 -2,-1.1 -1,-0.2 0.882 71.1 -10.5 -70.8 -37.2 -16.9 2.2 30.9 135 135 A S E -G 153 0A 52 18,-1.2 18,-2.4 -3,-0.2 2,-0.3 -0.977 54.5-165.4-158.1 152.7 -19.4 3.9 33.2 136 136 A S E +G 152 0A 71 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.941 16.2 178.1-144.0 116.8 -19.8 4.5 37.0 137 137 A V E -G 151 0A 83 14,-2.3 14,-3.4 -2,-0.3 2,-0.2 -0.985 23.9-132.5-130.0 121.3 -23.2 5.7 38.2 138 138 A E E -G 150 0A 156 -2,-0.4 12,-0.3 12,-0.2 2,-0.1 -0.519 23.8-127.2 -69.2 133.4 -24.2 6.3 41.8 139 139 A G - 0 0 12 10,-3.4 2,-0.4 -2,-0.2 10,-0.3 -0.480 28.9-106.9 -75.3 152.6 -27.5 4.8 42.9 140 140 A K - 0 0 162 -2,-0.1 2,-0.3 8,-0.1 -114,-0.1 -0.672 26.2-125.8 -86.5 132.2 -30.0 7.1 44.5 141 141 A L + 0 0 110 -2,-0.4 2,-0.2 5,-0.1 5,-0.2 -0.616 45.1 165.1 -78.7 143.9 -30.6 6.9 48.3 142 142 A D - 0 0 62 3,-3.1 -1,-0.0 -2,-0.3 0, 0.0 -0.771 54.8 -89.4-151.4 171.7 -34.3 6.4 49.0 143 143 A E S S+ 0 0 162 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.936 132.5 25.8 -59.7 -46.8 -37.0 5.4 51.4 144 144 A K S S+ 0 0 146 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.378 121.4 58.8-103.2 1.8 -36.7 1.8 50.1 145 145 A N + 0 0 3 -121,-0.1 -3,-3.1 -120,-0.1 -1,-0.2 -0.826 57.2 154.0-132.4 93.9 -33.0 2.0 49.0 146 146 A T + 0 0 101 -123,-0.4 -5,-0.1 -2,-0.4 -1,-0.1 0.288 46.2 82.3-112.8 6.2 -31.0 3.0 52.1 147 147 A I S S- 0 0 27 -124,-0.2 -32,-0.1 -32,-0.0 -5,-0.0 -0.952 83.0-115.7-113.1 128.8 -27.5 1.5 51.3 148 148 A P + 0 0 61 0, 0.0 -34,-2.8 0, 0.0 2,-0.3 -0.381 43.9 172.7 -65.5 143.7 -25.2 3.5 49.0 149 149 A H E -F 113 0A 3 -10,-0.3 -10,-3.4 -36,-0.2 2,-0.4 -0.991 22.2-152.4-153.1 147.4 -24.4 1.6 45.8 150 150 A T E -FG 112 138A 19 -38,-2.1 -38,-3.0 -2,-0.3 2,-0.7 -0.994 13.2-139.7-130.0 130.7 -22.7 2.3 42.5 151 151 A F E -FG 111 137A 31 -14,-3.4 -14,-2.3 -2,-0.4 2,-0.4 -0.808 26.4-172.7 -89.2 113.1 -23.4 0.7 39.1 152 152 A L E -FG 110 136A 19 -42,-3.6 -42,-2.2 -2,-0.7 2,-0.5 -0.878 17.7-162.8-106.5 138.1 -20.2 -0.1 37.3 153 153 A H E -FG 109 135A 31 -18,-2.4 -19,-2.4 -2,-0.4 -18,-1.2 -0.973 19.1-172.2-115.4 113.2 -19.8 -1.3 33.8 154 154 A L E -FG 108 133A 0 -46,-3.1 -46,-2.8 -2,-0.5 2,-0.4 -0.883 7.2-162.8-108.3 133.9 -16.3 -2.7 33.4 155 155 A I E -FG 107 132A 67 -23,-2.3 -23,-2.9 -2,-0.4 -48,-0.2 -0.959 29.5-107.6-120.2 135.2 -14.7 -3.8 30.1 156 156 A R E G 0 131A 81 -50,-2.0 -25,-0.2 -2,-0.4 -26,-0.1 -0.379 360.0 360.0 -61.2 127.7 -11.7 -6.1 29.8 157 157 A K 0 0 177 -27,-2.6 -1,-0.2 -2,-0.1 -26,-0.1 0.884 360.0 360.0 -68.2 360.0 -8.7 -4.1 28.6