==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JUL-97 1AO8 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR A.R.GARGARO,A.SOTERIOU,T.A.FRENKIEL,C.J.BAUER,B.BIRDSALL, . 163 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 14.7 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 14.7 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 2 0 0 1 1 0 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 1 2 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 0 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 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 36 0, 0.0 111,-0.6 0, 0.0 110,-0.6 0.000 360.0 360.0 360.0 125.7 131.0 -6.9 -7.2 2 2 A A E -ab 95 112A 10 92,-1.3 94,-2.9 108,-0.1 111,-0.2 -0.853 360.0-141.2-154.7 114.4 129.5 -6.9 -3.7 3 3 A F E +ab 96 113A 0 109,-1.9 111,-2.1 -2,-0.3 2,-0.3 -0.449 24.2 174.8 -74.4 148.7 126.8 -4.6 -2.3 4 4 A L E + b 0 114A 6 92,-1.7 2,-0.3 109,-0.2 111,-0.2 -0.812 13.7 132.9-158.6 113.0 127.2 -3.3 1.2 5 5 A W E - b 0 115A 7 109,-1.6 111,-1.5 -2,-0.3 2,-0.4 -0.978 40.9-126.8-154.9 165.6 125.0 -0.7 3.1 6 6 A A E + b 0 116A 7 -2,-0.3 2,-0.3 109,-0.2 111,-0.1 -0.969 31.7 162.7-122.9 132.6 123.2 -0.2 6.4 7 7 A Q E - b 0 117A 32 109,-1.6 111,-1.5 -2,-0.4 6,-0.2 -0.851 25.4-129.2-138.0 174.7 119.5 0.5 6.8 8 8 A D > - 0 0 1 4,-0.9 3,-1.3 -2,-0.3 113,-0.1 -0.553 47.4 -78.4-117.3-175.4 116.8 0.4 9.6 9 9 A R T 3 S+ 0 0 190 111,-0.4 112,-0.1 1,-0.3 110,-0.0 0.757 132.4 54.1 -57.8 -20.8 113.3 -1.1 9.9 10 10 A D T 3 S- 0 0 83 2,-0.1 -1,-0.3 112,-0.0 111,-0.1 0.740 113.8-117.9 -86.4 -22.7 112.1 2.0 7.8 11 11 A G < + 0 0 14 -3,-1.3 117,-0.9 1,-0.3 -2,-0.1 0.251 63.7 144.5 104.8 -13.6 114.6 1.4 5.0 12 12 A L E -H 127 0B 7 115,-0.2 -4,-0.9 110,-0.2 -1,-0.3 -0.232 27.0-175.7 -57.5 147.7 116.5 4.7 5.4 13 13 A I E - 0 0 26 113,-2.1 2,-0.3 1,-0.3 -7,-0.2 0.031 61.1 -25.9-135.7 27.8 120.2 4.5 4.7 14 14 A G E -H 126 0B 3 112,-0.6 112,-0.7 5,-0.0 -1,-0.3 -0.893 57.0-120.1 150.3 179.9 121.5 8.0 5.6 15 15 A K B > S-I 18 0C 68 3,-2.6 3,-1.0 -2,-0.3 109,-0.0 -0.877 83.8 -12.5-158.7 121.7 120.3 11.6 5.9 16 16 A D T 3 S- 0 0 102 1,-0.3 2,-0.3 -2,-0.3 3,-0.1 0.818 126.1 -59.5 57.7 27.9 121.7 14.7 4.0 17 17 A G T 3 S+ 0 0 25 1,-0.3 -1,-0.3 31,-0.0 2,-0.2 -0.190 129.1 81.7 94.4 -44.1 124.6 12.6 3.0 18 18 A H B < S-I 15 0C 93 -3,-1.0 -3,-2.6 -2,-0.3 -1,-0.3 -0.539 92.1 -96.5 -91.5 161.4 125.7 11.9 6.6 19 19 A L - 0 0 49 -5,-0.2 -1,-0.1 -2,-0.2 -5,-0.0 -0.519 20.2-144.9 -77.8 147.0 124.1 9.2 8.7 20 20 A P S S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.828 84.3 38.5 -78.5 -37.9 121.3 10.2 11.2 21 21 A W S S- 0 0 24 2,-0.0 2,-0.4 101,-0.0 -2,-0.1 -0.378 80.5-126.1-103.7-173.7 122.3 7.7 13.9 22 22 A H + 0 0 131 -2,-0.1 3,-0.1 4,-0.0 129,-0.0 -0.846 26.2 171.0-140.1 102.0 125.7 6.5 15.1 23 23 A L >> + 0 0 10 -2,-0.4 3,-1.6 1,-0.2 4,-1.2 -0.681 3.8 179.0-113.9 78.8 126.5 2.8 15.2 24 24 A P H 3> S+ 0 0 54 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.791 81.0 63.4 -46.7 -34.4 130.3 2.6 16.0 25 25 A D H 3> S+ 0 0 49 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.911 100.3 50.6 -62.5 -40.2 130.0 -1.2 15.9 26 26 A D H <> S+ 0 0 8 -3,-1.6 4,-1.7 1,-0.2 3,-0.4 0.838 102.2 62.0 -67.6 -29.8 129.0 -1.0 12.2 27 27 A L H X S+ 0 0 43 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.851 98.6 56.2 -65.2 -31.2 132.1 1.2 11.5 28 28 A H H X S+ 0 0 134 -4,-1.1 4,-0.9 -3,-0.5 -1,-0.2 0.824 107.5 48.5 -70.7 -28.7 134.3 -1.7 12.6 29 29 A Y H X S+ 0 0 60 -4,-0.9 4,-1.5 -3,-0.4 -2,-0.2 0.826 106.4 56.5 -80.2 -30.9 132.7 -4.0 10.0 30 30 A F H < S+ 0 0 0 -4,-1.7 5,-0.3 1,-0.2 -2,-0.2 0.923 104.4 52.1 -66.8 -42.2 133.1 -1.4 7.2 31 31 A R H >X S+ 0 0 133 -4,-1.6 4,-1.8 1,-0.2 3,-0.8 0.863 111.5 47.7 -63.2 -33.1 136.9 -1.2 7.8 32 32 A A H 3< S+ 0 0 59 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.792 110.4 52.0 -78.8 -26.4 137.1 -5.1 7.5 33 33 A Q T 3< S+ 0 0 36 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 -0.030 120.9 31.3 -98.6 32.9 135.0 -5.1 4.4 34 34 A T T X4 S+ 0 0 0 -3,-0.8 3,-2.0 1,-0.2 24,-0.2 0.394 88.5 93.3-150.3 -48.3 137.2 -2.5 2.6 35 35 A V T 3< S+ 0 0 39 -4,-1.8 22,-0.2 -5,-0.3 -1,-0.2 -0.375 101.6 16.9 -59.5 125.2 140.9 -2.7 3.6 36 36 A G T 3 S+ 0 0 50 20,-1.3 -1,-0.3 1,-0.4 2,-0.2 0.093 121.5 71.4 98.7 -24.4 142.7 -5.0 1.2 37 37 A K S < S- 0 0 50 -3,-2.0 21,-1.0 55,-0.2 2,-0.5 -0.482 94.7 -85.9-112.4-173.7 139.9 -4.8 -1.4 38 38 A I E -cd 58 94A 1 55,-1.7 57,-1.9 -2,-0.2 2,-0.4 -0.837 37.0-147.7 -99.0 125.9 138.7 -2.0 -3.8 39 39 A M E -cd 59 95A 2 19,-1.7 21,-1.3 -2,-0.5 2,-0.6 -0.752 7.3-159.1 -93.2 135.6 136.2 0.5 -2.2 40 40 A V E +cd 60 96A 0 55,-1.7 57,-2.0 -2,-0.4 58,-1.0 -0.929 22.4 158.2-117.5 113.1 133.6 2.1 -4.6 41 41 A V E -cd 61 98A 0 19,-2.4 21,-1.6 -2,-0.6 58,-0.2 -0.943 30.2-133.0-131.7 154.3 131.9 5.3 -3.5 42 42 A G > - 0 0 3 56,-0.9 4,-1.3 -2,-0.3 21,-0.2 -0.009 40.6 -89.4 -88.3-160.8 130.1 8.2 -5.3 43 43 A R H > S+ 0 0 98 19,-0.5 4,-1.9 2,-0.2 5,-0.2 0.872 126.4 50.4 -82.1 -37.8 130.7 11.9 -4.9 44 44 A R H > S+ 0 0 159 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.841 116.8 42.0 -69.2 -30.5 128.1 12.3 -2.2 45 45 A T H > S+ 0 0 17 2,-0.2 4,-0.8 1,-0.1 -1,-0.2 0.810 109.4 58.4 -85.4 -30.6 129.7 9.4 -0.2 46 46 A Y H >< S+ 0 0 11 -4,-1.3 3,-0.8 1,-0.2 -2,-0.2 0.955 111.5 40.2 -64.1 -48.0 133.3 10.5 -0.9 47 47 A E H 3< S+ 0 0 101 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.765 102.7 72.5 -72.5 -22.7 132.8 13.9 0.7 48 48 A S H 3< S+ 0 0 36 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.820 81.2 90.3 -62.5 -27.2 130.7 12.3 3.5 49 49 A F S << S- 0 0 4 -4,-0.8 3,-0.1 -3,-0.8 -31,-0.0 -0.429 71.0-147.2 -70.8 147.7 134.0 10.8 4.8 50 50 A P S S+ 0 0 108 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.937 87.1 41.7 -79.3 -56.0 135.9 12.9 7.5 51 51 A K S S- 0 0 154 113,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.842 92.9-133.8 -99.4 113.8 139.5 12.0 6.6 52 52 A R S S+ 0 0 126 -2,-0.7 2,-0.2 -3,-0.1 -5,-0.0 -0.948 76.1 31.0-123.0 144.0 140.1 11.8 2.8 53 53 A P S S- 0 0 42 0, 0.0 20,-0.0 0, 0.0 -7,-0.0 0.619 87.7-127.0 -76.6 171.0 141.3 10.0 0.9 54 54 A L - 0 0 11 -2,-0.2 3,-0.4 2,-0.0 -2,-0.1 -0.779 26.2-155.3 -89.8 116.9 140.7 6.7 2.8 55 55 A P + 0 0 75 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 -0.135 68.9 57.6 -79.1 177.4 144.0 4.7 3.4 56 56 A E S S+ 0 0 110 -21,-0.1 -20,-1.3 -20,-0.0 2,-0.3 0.287 113.2 34.4 80.5 -11.3 144.2 0.9 3.9 57 57 A R S S- 0 0 23 -3,-0.4 -19,-0.2 -22,-0.2 -22,-0.1 -0.989 96.1 -81.4-163.9 162.6 142.4 0.3 0.6 58 58 A T E -c 38 0A 33 -21,-1.0 -19,-1.7 -2,-0.3 2,-0.5 -0.396 40.2-135.5 -70.6 148.1 142.1 1.7 -3.0 59 59 A N E -c 39 0A 10 13,-0.3 15,-1.4 -21,-0.1 2,-0.6 -0.907 18.9-173.8-108.3 126.3 139.6 4.6 -3.4 60 60 A V E -ce 40 74A 5 -21,-1.3 -19,-2.4 -2,-0.5 2,-0.5 -0.890 3.1-173.5-122.2 103.8 137.3 4.5 -6.4 61 61 A V E -ce 41 75A 0 13,-2.1 15,-1.9 -2,-0.6 2,-0.5 -0.813 1.3-173.9 -97.8 131.3 135.2 7.7 -6.9 62 62 A L E + e 0 76A 18 -21,-1.6 -19,-0.5 -2,-0.5 2,-0.3 -0.962 19.6 140.0-127.9 118.7 132.5 7.6 -9.7 63 63 A T - 0 0 22 13,-1.0 5,-0.0 -2,-0.5 -2,-0.0 -0.863 58.9-107.8-144.4 178.6 130.5 10.7 -10.6 64 64 A H S S+ 0 0 180 -2,-0.3 2,-0.3 2,-0.0 13,-0.1 -0.010 85.2 101.0-101.8 30.5 129.1 12.5 -13.7 65 65 A Q - 0 0 84 1,-0.1 -2,-0.2 0, 0.0 3,-0.2 -0.864 52.6-164.0-115.0 150.1 131.6 15.4 -13.5 66 66 A E S S+ 0 0 162 -2,-0.3 -1,-0.1 1,-0.1 11,-0.0 -0.089 82.3 60.7-121.5 34.6 134.8 15.8 -15.6 67 67 A D + 0 0 137 2,-0.0 2,-0.1 0, 0.0 -1,-0.1 0.012 69.7 127.5-148.2 31.5 136.6 18.4 -13.5 68 68 A Y - 0 0 62 -3,-0.2 2,-0.3 -5,-0.0 7,-0.1 -0.498 37.9-159.7 -89.4 162.8 137.1 16.7 -10.1 69 69 A Q + 0 0 160 -2,-0.1 2,-0.2 5,-0.0 5,-0.1 -1.000 18.3 161.1-144.0 143.9 140.5 16.5 -8.3 70 70 A A - 0 0 24 -2,-0.3 2,-1.1 3,-0.2 5,-0.1 -0.730 28.2-144.7-165.5 110.5 141.9 14.2 -5.5 71 71 A Q S S+ 0 0 165 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 -0.654 95.3 10.4 -81.0 102.5 145.5 13.5 -4.6 72 72 A G S S+ 0 0 65 -2,-1.1 -13,-0.3 1,-0.5 -1,-0.2 -0.087 111.9 88.4 121.8 -34.7 145.6 9.9 -3.6 73 73 A A S S- 0 0 11 -3,-0.1 -1,-0.5 -15,-0.1 2,-0.5 -0.566 79.1-114.9 -93.3 160.4 142.1 8.8 -4.7 74 74 A V E -e 60 0A 44 -15,-1.4 -13,-2.1 -2,-0.2 2,-0.7 -0.818 21.8-154.0 -97.8 130.1 141.2 7.5 -8.2 75 75 A V E +e 61 0A 50 -2,-0.5 2,-0.3 -15,-0.1 -13,-0.1 -0.883 26.0 160.1-105.6 113.9 138.9 9.7 -10.3 76 76 A V E -e 62 0A 25 -15,-1.9 -13,-1.0 -2,-0.7 3,-0.0 -0.899 27.0-174.3-129.5 160.0 136.9 7.7 -12.9 77 77 A H + 0 0 75 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.1 -0.055 61.8 78.0-144.3 36.0 133.7 8.4 -14.9 78 78 A D > - 0 0 91 1,-0.1 4,-1.8 2,-0.0 5,-0.2 -0.982 64.7-142.4-149.2 134.5 133.0 5.1 -16.8 79 79 A V H > S+ 0 0 66 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.922 107.9 51.4 -62.7 -41.7 131.5 1.8 -15.6 80 80 A A H > S+ 0 0 63 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.860 105.2 58.0 -64.5 -32.3 133.9 -0.1 -17.9 81 81 A A H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.954 107.0 45.4 -63.6 -47.8 136.8 1.9 -16.3 82 82 A V H X S+ 0 0 2 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.857 114.6 50.5 -64.7 -31.8 135.9 0.7 -12.8 83 83 A F H X S+ 0 0 71 -4,-1.7 4,-2.9 -5,-0.2 5,-0.2 0.937 109.5 48.5 -72.4 -45.3 135.5 -2.9 -14.1 84 84 A A H X S+ 0 0 57 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.888 111.4 51.6 -62.7 -36.1 138.9 -2.9 -15.9 85 85 A Y H X S+ 0 0 85 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.889 113.2 44.3 -68.7 -36.6 140.5 -1.5 -12.7 86 86 A A H >< S+ 0 0 20 -4,-1.6 3,-0.7 -5,-0.2 6,-0.2 0.888 110.9 53.5 -75.3 -37.8 138.9 -4.4 -10.6 87 87 A K H 3< S+ 0 0 176 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.873 100.4 62.0 -65.1 -34.0 139.8 -7.0 -13.2 88 88 A Q H 3< S+ 0 0 147 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.819 100.3 60.7 -62.2 -27.3 143.5 -5.9 -13.1 89 89 A H X< + 0 0 56 -3,-0.7 3,-0.8 -4,-0.6 -1,-0.2 -0.866 59.6 175.3-107.1 104.1 143.5 -6.9 -9.4 90 90 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.720 82.3 55.6 -76.3 -25.5 142.7 -10.7 -9.0 91 91 A D T 3 S+ 0 0 148 2,-0.0 2,-0.3 -54,-0.0 -2,-0.0 0.069 103.4 69.9 -96.5 26.4 143.3 -10.6 -5.2 92 92 A Q < - 0 0 36 -3,-0.8 2,-0.3 -6,-0.2 -55,-0.2 -0.943 65.1-148.7-138.5 160.6 140.7 -7.8 -4.8 93 93 A E - 0 0 112 -2,-0.3 -55,-1.7 -91,-0.0 2,-0.7 -0.935 24.7-111.9-130.0 154.3 136.9 -7.5 -5.0 94 94 A L E - d 0 38A 8 -2,-0.3 -92,-1.3 -57,-0.1 2,-0.6 -0.743 33.1-167.9 -87.8 113.8 134.6 -4.6 -6.1 95 95 A V E -ad 2 39A 1 -57,-1.9 -55,-1.7 -2,-0.7 2,-0.8 -0.885 8.6-152.9-105.1 122.5 132.6 -3.4 -3.0 96 96 A I E +ad 3 40A 0 -94,-2.9 -92,-1.7 -2,-0.6 -55,-0.1 -0.812 24.5 163.5 -96.1 111.0 129.7 -1.0 -3.7 97 97 A A E - 0 0 8 -57,-2.0 2,-0.3 -2,-0.8 -1,-0.2 0.878 40.0-176.3 -92.2 -46.0 129.1 1.3 -0.6 98 98 A G E - d 0 41A 3 -58,-1.0 -56,-0.9 -93,-0.1 -1,-0.3 -0.983 57.9-128.8 162.5-166.3 126.9 4.0 -2.2 99 99 A G > - 0 0 20 -2,-0.3 4,-1.7 -58,-0.2 3,-0.3 0.538 55.6-108.6 -78.7-154.1 125.3 6.3 -2.7 100 100 A A H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.859 119.6 60.2 -65.7 -32.4 122.0 5.2 -4.2 101 101 A Q H > S+ 0 0 149 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.887 106.4 46.5 -63.6 -35.9 123.1 6.7 -7.5 102 102 A I H > S+ 0 0 11 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.879 107.6 56.5 -74.4 -36.1 126.1 4.4 -7.6 103 103 A F H < S+ 0 0 1 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.896 103.5 54.7 -62.9 -37.3 124.0 1.3 -6.6 104 104 A T H >< S+ 0 0 83 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.876 104.7 54.8 -64.8 -34.6 121.8 2.0 -9.7 105 105 A A H >< S+ 0 0 48 -4,-1.0 2,-0.9 1,-0.3 3,-0.5 0.950 111.1 43.5 -65.0 -47.1 124.9 1.9 -11.9 106 106 A F T 3< S+ 0 0 2 -4,-1.8 3,-0.3 1,-0.2 -1,-0.3 -0.363 79.8 114.7 -94.8 56.8 125.9 -1.6 -10.7 107 107 A K T < S+ 0 0 89 -2,-0.9 3,-0.2 -3,-0.8 -1,-0.2 0.765 73.7 50.2 -94.6 -29.4 122.4 -3.1 -10.8 108 108 A D S < S+ 0 0 152 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 -0.055 109.9 55.0 -98.3 34.1 123.1 -5.7 -13.5 109 109 A D S S+ 0 0 78 -3,-0.3 2,-0.3 1,-0.0 -1,-0.2 -0.401 73.9 104.3-163.7 76.9 126.3 -7.0 -11.7 110 110 A V + 0 0 33 -3,-0.2 -108,-0.1 1,-0.1 3,-0.1 -0.897 19.4 161.6-161.5 128.4 125.8 -8.1 -8.1 111 111 A D S S+ 0 0 69 -110,-0.6 49,-0.7 -2,-0.3 2,-0.4 0.705 70.7 54.3-116.5 -41.9 125.6 -11.6 -6.5 112 112 A T E -bF 2 159A 26 -111,-0.6 -109,-1.9 47,-0.2 2,-0.5 -0.794 63.3-166.6 -98.1 137.1 126.4 -11.0 -2.8 113 113 A L E -bF 3 158A 5 45,-2.2 45,-1.8 -2,-0.4 2,-0.5 -0.857 3.1-170.7-126.0 99.1 124.2 -8.4 -0.9 114 114 A L E +bF 4 157A 17 -111,-2.1 -109,-1.6 -2,-0.5 2,-0.3 -0.756 17.1 161.9 -90.4 127.6 125.6 -7.4 2.5 115 115 A V E -bF 5 156A 5 41,-1.8 41,-2.6 -2,-0.5 2,-0.7 -0.997 33.3-140.3-144.7 148.7 123.2 -5.3 4.6 116 116 A T E -bF 6 155A 4 -111,-1.5 -109,-1.6 -2,-0.3 2,-0.5 -0.887 16.6-157.8-113.3 105.3 122.9 -4.4 8.3 117 117 A R E -bF 7 154A 120 37,-1.8 37,-1.3 -2,-0.7 -109,-0.2 -0.692 12.9-162.4 -83.4 122.5 119.3 -4.4 9.6 118 118 A L E - F 0 153A 16 -111,-1.5 35,-0.2 -2,-0.5 33,-0.1 -0.246 15.8-145.0 -92.2-174.3 118.9 -2.2 12.7 119 119 A A S S+ 0 0 48 33,-1.1 31,-0.1 31,-0.5 32,-0.1 0.678 72.6 79.7-120.8 -43.9 116.0 -2.2 15.2 120 120 A G S S- 0 0 10 30,-1.3 -111,-0.4 32,-0.3 2,-0.2 -0.371 79.8-123.4 -67.2 146.4 115.6 1.4 16.4 121 121 A S - 0 0 74 -113,-0.1 2,-0.3 -112,-0.1 -1,-0.1 -0.542 31.5-178.6 -89.0 158.1 113.6 3.6 14.0 122 122 A F - 0 0 55 -2,-0.2 2,-0.4 2,-0.0 -110,-0.2 -0.963 22.1-122.0-149.8 165.8 115.0 6.9 12.5 123 123 A E + 0 0 164 -2,-0.3 2,-0.3 -111,-0.0 -113,-0.0 -0.886 46.5 119.3-114.6 145.5 114.0 9.8 10.2 124 124 A G - 0 0 20 -2,-0.4 -109,-0.2 1,-0.1 -112,-0.0 -0.980 57.1-119.3 178.7 178.7 115.8 10.8 7.0 125 125 A D S S+ 0 0 135 -2,-0.3 2,-0.4 -111,-0.2 -110,-0.2 0.673 82.3 92.8-111.0 -27.9 115.4 11.3 3.2 126 126 A T E +H 14 0B 38 -112,-0.7 -113,-2.1 -114,-0.0 -112,-0.6 -0.536 55.9 171.2 -70.8 123.6 118.1 8.9 1.9 127 127 A K E -H 12 0B 130 -2,-0.4 2,-0.3 -115,-0.3 -115,-0.2 -0.816 34.7 -99.2-128.4 170.0 116.5 5.5 1.3 128 128 A M - 0 0 32 -117,-0.9 3,-0.1 -2,-0.3 -28,-0.0 -0.673 41.9-107.7 -91.2 145.3 117.5 2.2 -0.3 129 129 A I - 0 0 31 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.169 43.8 -87.9 -64.2 166.2 116.5 1.4 -3.9 130 130 A P + 0 0 125 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.674 55.4 177.4 -79.5 106.7 113.9 -1.4 -4.6 131 131 A L - 0 0 32 -2,-0.8 2,-0.7 -3,-0.1 -3,-0.0 -0.710 32.3-113.0-109.5 163.3 115.7 -4.7 -4.9 132 132 A N + 0 0 91 -2,-0.2 3,-0.2 1,-0.1 0, 0.0 -0.842 28.6 176.9 -99.3 114.6 114.2 -8.2 -5.4 133 133 A W S > S+ 0 0 94 -2,-0.7 3,-0.5 1,-0.2 -1,-0.1 0.328 70.1 76.8 -96.7 8.5 114.6 -10.5 -2.3 134 134 A D T 3 S+ 0 0 123 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.792 91.1 52.2 -87.4 -28.8 112.7 -13.4 -3.9 135 135 A D T 3 S+ 0 0 85 -3,-0.2 26,-0.6 2,-0.0 2,-0.3 -0.112 105.5 70.0 -97.3 38.2 115.6 -14.5 -6.2 136 136 A F E < -G 160 0A 23 -3,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.931 63.5-147.6-145.1 168.8 118.1 -14.6 -3.3 137 137 A T E -G 159 0A 61 22,-2.2 22,-2.4 -2,-0.3 2,-0.6 -1.000 14.4-131.9-142.9 143.2 118.8 -16.8 -0.2 138 138 A K E +G 158 0A 82 -2,-0.3 20,-0.2 20,-0.2 3,-0.1 -0.833 33.7 157.3 -98.1 121.4 120.3 -16.0 3.2 139 139 A V E + 0 0 101 18,-1.4 2,-0.4 -2,-0.6 -1,-0.2 0.686 65.2 47.9-111.6 -30.2 123.0 -18.4 4.4 140 140 A S E +G 157 0A 67 17,-1.1 17,-2.0 2,-0.0 2,-0.3 -0.922 58.9 159.3-115.5 138.2 124.9 -16.2 6.9 141 141 A S E +G 156 0A 60 -2,-0.4 2,-0.5 15,-0.2 15,-0.2 -0.799 8.4 177.0-159.3 111.8 123.1 -14.2 9.7 142 142 A R E -G 155 0A 176 13,-1.9 13,-1.7 -2,-0.3 2,-0.4 -0.960 17.3-149.9-121.9 121.1 124.7 -12.9 12.9 143 143 A T E -G 154 0A 98 -2,-0.5 2,-0.4 11,-0.2 11,-0.2 -0.728 15.0-173.9 -89.7 132.9 122.7 -10.8 15.4 144 144 A V E -G 153 0A 35 9,-2.1 9,-2.0 -2,-0.4 2,-0.2 -0.973 8.0-156.1-130.3 121.9 124.7 -8.2 17.4 145 145 A E - 0 0 162 -2,-0.4 2,-0.1 7,-0.2 7,-0.1 -0.605 9.7-155.2 -93.0 156.3 123.2 -6.1 20.3 146 146 A D - 0 0 47 2,-0.7 6,-0.1 -2,-0.2 -1,-0.1 -0.428 41.2 -78.8-115.6-167.1 124.6 -2.8 21.4 147 147 A T S S+ 0 0 121 -2,-0.1 5,-0.1 4,-0.1 -2,-0.0 0.925 117.0 41.9 -63.3 -42.1 124.5 -0.8 24.7 148 148 A N S S- 0 0 88 1,-0.1 -2,-0.7 3,-0.1 0, 0.0 -0.626 81.5-126.9-103.2 166.0 121.0 0.5 23.8 149 149 A P S > S+ 0 0 107 0, 0.0 3,-0.7 0, 0.0 -29,-0.2 0.738 110.0 54.2 -80.3 -29.0 118.0 -1.4 22.4 150 150 A A T 3 S+ 0 0 46 1,-0.2 -30,-1.3 -31,-0.1 -31,-0.5 0.720 101.4 59.9 -80.4 -19.9 117.5 1.2 19.6 151 151 A L T 3 S+ 0 0 39 -32,-0.1 -1,-0.2 -33,-0.1 2,-0.2 0.003 76.9 133.1 -96.4 31.2 121.1 0.8 18.4 152 152 A T < - 0 0 25 -3,-0.7 -33,-1.1 -7,-0.1 2,-0.3 -0.579 32.0-177.8 -81.5 143.4 120.7 -3.0 17.7 153 153 A H E -FG 118 144A 0 -9,-2.0 -9,-2.1 -2,-0.2 2,-0.4 -0.984 16.0-159.0-140.8 152.3 122.1 -4.2 14.3 154 154 A T E -FG 117 143A 28 -37,-1.3 -37,-1.8 -2,-0.3 2,-0.6 -0.957 17.2-137.4-136.1 118.1 122.2 -7.6 12.5 155 155 A Y E -FG 116 142A 22 -13,-1.7 -13,-1.9 -2,-0.4 2,-0.4 -0.608 26.7-171.3 -75.6 117.3 124.7 -8.4 9.8 156 156 A E E -FG 115 141A 6 -41,-2.6 -41,-1.8 -2,-0.6 2,-0.5 -0.890 10.9-163.1-112.0 140.8 122.8 -10.3 7.0 157 157 A V E -FG 114 140A 25 -17,-2.0 -18,-1.4 -2,-0.4 -17,-1.1 -0.902 9.8-175.8-125.7 105.5 124.4 -12.0 4.0 158 158 A W E -FG 113 138A 43 -45,-1.8 -45,-2.2 -2,-0.5 2,-0.3 -0.710 3.3-172.4 -98.6 151.2 122.2 -12.8 1.0 159 159 A Q E -FG 112 137A 83 -22,-2.4 -22,-2.2 -2,-0.3 -47,-0.2 -0.980 29.2-100.4-141.1 153.7 123.5 -14.7 -2.1 160 160 A K E - G 0 136A 93 -49,-0.7 -24,-0.2 -2,-0.3 -49,-0.1 -0.410 24.8-134.8 -71.6 149.0 122.0 -15.5 -5.5 161 161 A K 0 0 149 -26,-0.6 -1,-0.1 -2,-0.1 -25,-0.1 0.953 360.0 360.0 -70.5 -48.3 120.6 -19.1 -6.0 162 162 A A 0 0 146 -3,-0.0 -2,-0.1 0, 0.0 -26,-0.0 0.414 360.0 360.0-155.3 360.0 122.3 -19.7 -9.3 163 ! 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 0.0 164 170 A X 0 0 102 0, 0.0 -113,-0.1 0, 0.0 -137,-0.1 0.000 360.0 360.0 360.0 360.0 136.9 3.7 8.7