==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JUN-11 2LF1 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR V.POLSHAKOV,J.FEENEY,B.BIRDSALL,N.KOVALEVSKAYA . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 12.3 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 0.6 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 . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 16.7 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 1 0 0 0 0 3 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 0 2 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 . 0 1 0 0 1 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 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 37 0, 0.0 111,-3.9 0, 0.0 110,-1.7 0.000 360.0 360.0 360.0 87.0 -4.1 8.9 4.1 2 2 A A E -ab 95 112A 2 92,-2.5 94,-2.4 109,-0.2 2,-0.4 -0.941 360.0-138.7-123.4 144.3 -0.9 7.0 4.2 3 3 A F E -ab 96 113A 0 109,-0.8 111,-2.3 -2,-0.4 2,-0.4 -0.857 17.0-175.2-104.0 133.6 0.7 4.6 1.7 4 4 A L E + b 0 114A 12 92,-3.3 2,-0.3 -2,-0.4 111,-0.2 -0.951 23.3 130.6-131.8 113.8 2.4 1.4 2.7 5 5 A W E - b 0 115A 12 109,-1.3 111,-1.9 -2,-0.4 2,-0.3 -0.991 45.7-117.2-157.3 158.6 4.2 -0.9 0.2 6 6 A A E + b 0 116A 3 -2,-0.3 2,-0.3 7,-0.2 111,-0.2 -0.710 33.3 171.2-100.5 151.4 7.4 -2.7 -0.4 7 7 A Q E - b 0 117A 7 109,-2.6 111,-3.9 -2,-0.3 6,-0.2 -0.991 22.0-134.6-155.8 160.0 9.9 -2.0 -3.3 8 8 A D > - 0 0 0 -2,-0.3 3,-1.5 109,-0.2 113,-0.2 -0.207 50.9 -77.0-101.3-166.0 13.4 -2.9 -4.6 9 9 A R T 3 S+ 0 0 196 111,-1.3 112,-0.1 1,-0.3 111,-0.1 0.850 133.6 52.7 -63.9 -34.1 16.2 -0.7 -6.0 10 10 A D T 3 S- 0 0 103 112,-0.3 -1,-0.3 1,-0.1 118,-0.2 0.382 122.6-108.8 -81.7 3.5 14.3 -0.4 -9.3 11 11 A G < + 0 0 18 -3,-1.5 117,-1.1 116,-0.1 -2,-0.1 0.535 66.1 159.9 79.9 6.1 11.2 0.7 -7.3 12 12 A L E +H 127 0B 4 110,-0.2 115,-0.2 115,-0.2 -4,-0.2 0.164 23.6 176.5 -48.7 177.4 9.5 -2.6 -8.0 13 13 A I E - 0 0 24 113,-0.9 2,-0.3 1,-0.6 -7,-0.2 0.328 60.8 -1.0-154.3 -38.9 6.6 -3.8 -5.9 14 14 A G E -H 126 0B 2 112,-0.9 -1,-0.6 5,-0.2 112,-0.5 -0.885 55.0-123.6-150.0 179.9 5.4 -7.0 -7.3 15 15 A K S S- 0 0 121 3,-1.4 4,-0.0 -2,-0.3 108,-0.0 -0.541 87.5 -49.9-132.9 66.4 5.8 -9.5 -10.2 16 16 A D S S+ 0 0 138 1,-0.2 108,-0.0 -2,-0.1 110,-0.0 0.799 143.7 24.3 73.3 30.0 2.4 -9.8 -11.9 17 17 A G S S- 0 0 31 1,-0.1 2,-0.3 109,-0.0 -1,-0.2 -0.008 119.4 -48.5-178.3 -61.3 0.7 -10.3 -8.6 18 18 A H S S- 0 0 75 31,-0.1 -3,-1.4 81,-0.0 -1,-0.1 -0.951 82.7 -31.1-174.3-171.4 2.5 -8.9 -5.5 19 19 A L - 0 0 52 -2,-0.3 -5,-0.2 -5,-0.2 4,-0.1 -0.489 45.5-168.7 -65.8 113.0 5.8 -8.7 -3.6 20 20 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.517 56.9 100.2 -81.4 -5.5 7.6 -12.1 -4.4 21 21 A W S S- 0 0 16 1,-0.1 2,-1.5 2,-0.0 -2,-0.0 -0.626 79.4-122.9 -85.1 140.2 10.2 -11.4 -1.7 22 22 A H + 0 0 174 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 -0.637 40.6 167.7 -83.9 88.0 9.9 -13.1 1.7 23 23 A L > + 0 0 2 -2,-1.5 4,-1.8 1,-0.2 3,-0.3 -0.787 9.5 170.3-105.8 90.1 9.8 -10.2 4.1 24 24 A P H > S+ 0 0 59 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.861 80.3 55.6 -65.3 -36.7 8.7 -11.4 7.5 25 25 A D H > S+ 0 0 38 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.800 107.5 50.9 -66.4 -29.4 9.6 -8.1 9.2 26 26 A D H > S+ 0 0 10 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.936 112.2 43.8 -73.8 -48.6 7.3 -6.3 6.7 27 27 A L H X S+ 0 0 94 -4,-1.8 4,-2.8 2,-0.2 5,-0.4 0.962 114.0 49.9 -60.9 -54.2 4.2 -8.6 7.2 28 28 A H H X S+ 0 0 134 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.922 118.8 38.5 -50.6 -50.7 4.6 -8.6 11.0 29 29 A Y H X S+ 0 0 112 -4,-1.5 4,-1.1 -5,-0.2 -1,-0.2 0.821 111.9 60.8 -70.9 -31.6 4.9 -4.8 11.1 30 30 A F H X S+ 0 0 25 -4,-2.5 4,-1.9 1,-0.2 3,-0.4 0.946 112.6 35.3 -60.5 -50.6 2.3 -4.5 8.4 31 31 A R H < S+ 0 0 117 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.841 111.9 61.7 -72.6 -34.5 -0.5 -6.2 10.4 32 32 A A H < S+ 0 0 62 -4,-1.9 -1,-0.2 -5,-0.4 3,-0.2 0.730 114.2 36.0 -63.9 -22.0 0.8 -4.7 13.7 33 33 A Q H < S+ 0 0 72 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.741 112.8 56.6-100.2 -32.0 0.1 -1.3 12.1 34 34 A T S >< S+ 0 0 1 -4,-1.9 2,-0.7 -5,-0.2 3,-0.6 -0.017 77.1 129.5 -90.5 30.9 -3.1 -2.2 10.2 35 35 A V T 3 S- 0 0 70 1,-0.2 22,-0.2 -3,-0.2 3,-0.1 -0.781 83.5 -4.5 -91.6 115.2 -4.8 -3.4 13.4 36 36 A G T 3 S+ 0 0 49 20,-1.1 -1,-0.2 -2,-0.7 2,-0.2 0.685 116.8 101.9 79.0 18.2 -8.2 -1.9 13.9 37 37 A K S < S- 0 0 63 -3,-0.6 21,-2.2 55,-0.1 2,-0.4 -0.496 73.4-102.4-119.6-170.3 -7.8 0.3 10.8 38 38 A I E -cd 58 94A 1 55,-1.6 57,-1.5 -2,-0.2 2,-0.5 -0.978 26.6-165.9-124.3 126.2 -8.9 0.4 7.2 39 39 A M E -cd 59 95A 2 19,-2.3 21,-1.6 -2,-0.4 2,-0.4 -0.938 12.0-143.1-114.7 129.9 -6.7 -0.5 4.2 40 40 A V E -cd 60 96A 0 55,-1.6 57,-1.9 -2,-0.5 58,-1.0 -0.753 22.6-178.9 -92.4 131.8 -7.6 0.3 0.6 41 41 A V E -cd 61 98A 7 19,-2.2 21,-2.1 -2,-0.4 58,-0.3 -0.955 22.3-118.3-131.6 150.1 -6.7 -2.3 -2.0 42 42 A G E > -c 62 0A 3 56,-0.8 4,-1.9 -2,-0.3 21,-0.2 -0.138 33.8-101.0 -77.3 177.2 -7.1 -2.4 -5.8 43 43 A R H > S+ 0 0 82 19,-0.9 4,-1.4 1,-0.2 5,-0.3 0.986 121.6 46.3 -62.8 -62.0 -9.1 -4.9 -7.9 44 44 A R H > S+ 0 0 178 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.730 110.4 60.8 -54.6 -21.3 -6.3 -7.2 -9.0 45 45 A T H 4 S+ 0 0 15 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.984 98.0 50.6 -71.0 -60.2 -5.1 -7.1 -5.3 46 46 A Y H < S+ 0 0 32 -4,-1.9 3,-0.4 1,-0.3 -2,-0.2 0.827 121.9 37.5 -46.9 -35.0 -8.2 -8.6 -3.7 47 47 A E H < S+ 0 0 102 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.765 121.8 44.2 -87.9 -29.5 -7.9 -11.4 -6.2 48 48 A S S < S+ 0 0 41 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 -0.065 91.7 110.4-105.4 31.7 -4.1 -11.5 -6.1 49 49 A F - 0 0 42 -3,-0.4 3,-0.4 -4,-0.2 -31,-0.1 -0.887 58.1-151.6-110.6 138.7 -3.8 -11.2 -2.3 50 50 A P S S+ 0 0 103 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.763 97.0 39.4 -75.8 -25.9 -2.5 -14.1 -0.1 51 51 A K S S- 0 0 103 3,-0.0 -5,-0.0 4,-0.0 3,-0.0 -0.686 81.9-173.9-126.6 77.3 -4.6 -12.8 2.9 52 52 A R S S+ 0 0 169 -3,-0.4 2,-0.1 -2,-0.4 21,-0.0 -0.945 77.7 18.8-121.0 112.2 -7.9 -11.6 1.5 53 53 A P S S- 0 0 66 0, 0.0 -1,-0.3 0, 0.0 5,-0.0 0.573 97.9-127.3 -88.4 162.7 -9.5 -10.4 3.7 54 54 A L > - 0 0 14 -2,-0.1 3,-0.9 1,-0.1 5,-0.1 -0.454 28.7-116.7 -68.9 134.3 -6.8 -9.5 6.3 55 55 A P T 3 S+ 0 0 54 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.434 90.9 11.8 -74.8 146.2 -7.7 -10.9 9.8 56 56 A E T 3 S+ 0 0 176 1,-0.2 -20,-1.1 -2,-0.1 2,-0.3 0.771 115.9 87.1 60.4 28.6 -8.3 -8.5 12.7 57 57 A R S < S- 0 0 24 -3,-0.9 2,-0.7 -22,-0.2 -1,-0.2 -0.973 82.3-104.7-150.9 163.6 -8.5 -5.6 10.4 58 58 A T E -c 38 0A 41 -21,-2.2 -19,-2.3 -2,-0.3 2,-0.3 -0.829 37.0-156.6 -96.3 116.1 -10.9 -3.6 8.1 59 59 A N E -ce 39 73A 13 -2,-0.7 15,-2.1 13,-0.5 2,-0.4 -0.643 7.3-165.8 -93.7 150.7 -10.4 -4.4 4.4 60 60 A V E -ce 40 74A 1 -21,-1.6 -19,-2.2 13,-0.3 2,-0.4 -0.997 4.9-155.4-138.0 129.5 -11.4 -2.1 1.5 61 61 A V E -ce 41 75A 7 13,-4.1 15,-1.1 -2,-0.4 2,-0.5 -0.856 3.8-164.9-108.9 141.8 -11.6 -3.1 -2.1 62 62 A L E +ce 42 76A 18 -21,-2.1 -19,-0.9 -2,-0.4 2,-0.3 -0.876 26.7 147.7-128.1 98.9 -11.3 -0.8 -5.1 63 63 A T - 0 0 4 13,-1.9 5,-0.1 -2,-0.5 -2,-0.0 -0.936 50.0-132.4-130.4 153.0 -12.6 -2.2 -8.4 64 64 A H S S+ 0 0 136 -2,-0.3 -1,-0.1 2,-0.0 13,-0.1 0.822 76.9 107.1 -71.7 -31.7 -14.2 -0.7 -11.5 65 65 A Q - 0 0 81 1,-0.2 3,-0.4 2,-0.1 -2,-0.2 -0.224 55.7-161.4 -51.0 128.9 -16.9 -3.4 -11.5 66 66 A E S S+ 0 0 142 1,-0.2 -1,-0.2 11,-0.1 11,-0.0 0.814 91.9 46.1 -82.6 -33.5 -20.2 -1.9 -10.4 67 67 A D S S+ 0 0 125 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.110 84.0 135.3 -95.8 21.1 -21.7 -5.3 -9.6 68 68 A Y - 0 0 37 -3,-0.4 2,-0.5 -5,-0.1 -5,-0.1 -0.494 40.7-157.1 -72.8 137.3 -18.6 -6.5 -7.7 69 69 A Q - 0 0 142 -2,-0.2 2,-0.8 2,-0.0 5,-0.1 -0.915 11.4-177.6-122.2 106.4 -19.2 -8.2 -4.4 70 70 A A > - 0 0 15 -2,-0.5 3,-1.0 3,-0.2 2,-0.3 -0.826 15.6-154.0-105.5 96.0 -16.4 -8.2 -1.8 71 71 A Q T 3 S+ 0 0 168 -2,-0.8 3,-0.1 1,-0.2 -2,-0.0 -0.531 79.9 16.5 -71.6 125.2 -17.5 -10.2 1.2 72 72 A G T 3 S+ 0 0 70 -2,-0.3 -13,-0.5 1,-0.3 2,-0.3 0.031 120.4 64.0 103.4 -26.9 -15.7 -9.1 4.3 73 73 A A E < S-e 59 0A 20 -3,-1.0 2,-0.3 -15,-0.1 -13,-0.3 -0.799 89.0 -92.5-126.3 169.1 -14.4 -5.8 2.9 74 74 A V E -e 60 0A 51 -15,-2.1 -13,-4.1 -2,-0.3 2,-0.4 -0.604 36.7-146.1 -83.3 139.8 -15.9 -2.6 1.6 75 75 A V E +e 61 0A 43 -2,-0.3 2,-0.3 -15,-0.2 -13,-0.2 -0.911 30.0 144.7-112.8 134.9 -16.6 -2.2 -2.1 76 76 A V E -e 62 0A 19 -15,-1.1 -13,-1.9 -2,-0.4 -11,-0.1 -0.968 31.3-163.3-157.0 163.0 -16.2 0.9 -4.2 77 77 A H + 0 0 75 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.1 0.480 70.0 67.8-129.1 -12.6 -15.2 2.0 -7.7 78 78 A D > - 0 0 97 1,-0.1 4,-1.7 -14,-0.0 5,-0.2 -0.834 69.3-136.0-114.9 153.6 -14.6 5.8 -7.4 79 79 A V H > S+ 0 0 51 -2,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.878 109.1 45.9 -70.6 -39.4 -12.0 7.8 -5.5 80 80 A A H > S+ 0 0 66 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.886 109.1 56.8 -70.9 -39.6 -14.5 10.3 -4.2 81 81 A A H >> S+ 0 0 49 1,-0.2 3,-1.3 2,-0.2 4,-1.3 0.981 108.0 44.1 -54.0 -66.0 -16.9 7.5 -3.2 82 82 A V H 3X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.3 -1,-0.2 0.824 107.1 63.6 -49.7 -35.0 -14.5 5.7 -0.9 83 83 A F H 3X S+ 0 0 45 -4,-1.2 4,-1.7 1,-0.2 -1,-0.3 0.898 98.2 54.0 -59.2 -40.2 -13.4 9.1 0.5 84 84 A A H X S+ 0 0 27 -4,-1.3 4,-1.4 1,-0.2 3,-0.5 0.984 105.8 53.0 -58.0 -61.6 -16.6 6.3 3.6 86 86 A A H 3< S+ 0 0 15 -4,-2.5 6,-0.2 1,-0.3 -1,-0.2 0.816 109.4 52.3 -44.2 -34.3 -13.3 7.1 5.2 87 87 A K H 3< S+ 0 0 149 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.939 104.2 54.0 -68.0 -47.0 -15.0 10.3 6.5 88 88 A Q H << S+ 0 0 164 -4,-2.2 -1,-0.2 -3,-0.5 -2,-0.2 0.699 103.8 63.4 -59.7 -19.5 -17.8 8.2 8.0 89 89 A H >< + 0 0 79 -4,-1.4 3,-1.3 -3,-0.2 -1,-0.3 -0.650 55.8 156.2-109.2 74.5 -15.1 6.3 9.8 90 90 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.494 72.2 63.4 -75.5 -2.9 -13.4 8.9 12.1 91 91 A D T 3 S+ 0 0 153 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.304 101.8 56.8-102.4 6.6 -12.3 6.1 14.3 92 92 A Q S < S- 0 0 42 -3,-1.3 2,-0.3 -6,-0.2 -55,-0.1 -0.803 72.9-127.4-131.3 173.0 -10.0 4.5 11.7 93 93 A E - 0 0 84 -2,-0.3 -55,-1.6 -57,-0.1 2,-0.5 -0.818 21.2-114.6-121.4 161.6 -7.1 5.4 9.4 94 94 A L E + d 0 38A 17 -2,-0.3 -92,-2.5 -57,-0.1 2,-0.4 -0.854 33.5 173.1-100.7 124.6 -6.5 5.2 5.7 95 95 A V E -ad 2 39A 7 -57,-1.5 -55,-1.6 -2,-0.5 2,-0.4 -0.941 16.7-154.6-135.6 113.1 -3.7 2.8 4.5 96 96 A I E +ad 3 40A 0 -94,-2.4 -92,-3.3 -2,-0.4 -55,-0.2 -0.711 21.8 163.8 -88.5 132.1 -3.1 2.0 0.8 97 97 A A E + 0 0 20 -57,-1.9 2,-0.3 1,-0.4 -91,-0.2 0.654 45.9 97.2-115.9 -30.8 -1.4 -1.3 0.0 98 98 A G E - d 0 41A 3 -58,-1.0 -56,-0.8 -93,-0.1 -1,-0.4 -0.974 62.8 -26.2 174.2 171.2 -2.1 -1.7 -3.7 99 99 A G > - 0 0 22 -58,-0.3 4,-1.9 -2,-0.3 5,-0.2 0.576 53.5-114.7 -93.3-151.3 -2.1 -1.9 -6.5 100 100 A A H > S+ 0 0 24 1,-0.2 4,-1.2 2,-0.2 29,-0.1 0.872 117.7 48.8 -63.4 -39.6 0.0 0.5 -8.5 101 101 A Q H > S+ 0 0 142 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.775 107.5 57.2 -72.6 -25.6 -3.0 2.2 -10.0 102 102 A I H > S+ 0 0 13 2,-0.2 4,-1.6 1,-0.2 5,-0.3 0.942 104.9 48.6 -69.6 -47.9 -4.6 2.6 -6.6 103 103 A F H X S+ 0 0 1 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.826 107.2 60.2 -60.4 -31.9 -1.6 4.5 -5.2 104 104 A T H X S+ 0 0 37 -4,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.944 102.5 49.2 -62.1 -51.6 -1.8 6.7 -8.3 105 105 A A H >X S+ 0 0 33 -4,-1.6 3,-1.0 1,-0.3 4,-0.8 0.963 120.5 34.8 -53.9 -58.8 -5.4 8.0 -7.6 106 106 A F H 3X S+ 0 0 1 -4,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.648 93.7 95.1 -71.7 -14.1 -4.7 8.9 -4.0 107 107 A K H 3< S+ 0 0 71 -4,-1.1 25,-0.3 -5,-0.3 -1,-0.2 0.844 98.0 31.9 -44.4 -37.5 -1.2 10.0 -5.0 108 108 A D H << S+ 0 0 131 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.831 123.8 45.6 -88.1 -38.7 -2.7 13.5 -5.3 109 109 A D H < S+ 0 0 89 -4,-0.8 -2,-0.2 2,-0.0 -1,-0.2 0.281 94.8 110.0 -87.4 9.0 -5.2 13.1 -2.6 110 110 A V < + 0 0 2 -4,-1.6 -108,-0.1 1,-0.1 3,-0.1 -0.452 41.1 179.9 -85.5 159.8 -2.7 11.5 -0.3 111 111 A D + 0 0 82 -110,-1.7 49,-2.5 1,-0.3 2,-0.3 0.633 65.9 38.8-125.0 -42.0 -1.2 13.1 2.9 112 112 A T E -bF 2 159A 25 -111,-3.9 -109,-0.8 47,-0.2 2,-0.4 -0.806 62.0-157.8-115.8 157.6 1.3 10.5 4.3 113 113 A L E +bF 3 158A 3 45,-2.1 45,-1.4 -2,-0.3 2,-0.4 -0.997 9.9 179.4-138.7 133.4 3.8 8.1 2.7 114 114 A L E +bF 4 157A 32 -111,-2.3 -109,-1.3 -2,-0.4 2,-0.4 -0.929 14.3 169.9-136.0 108.0 5.4 4.9 4.0 115 115 A V E -bF 5 156A 3 41,-1.3 41,-1.6 -2,-0.4 2,-0.6 -0.929 25.9-150.7-123.5 147.6 7.7 3.0 1.7 116 116 A T E -bF 6 155A 0 -111,-1.9 -109,-2.6 -2,-0.4 2,-0.9 -0.892 14.5-164.0-116.9 98.7 10.1 0.1 2.3 117 117 A R E -b 7 0A 110 37,-1.6 37,-0.4 -2,-0.6 -109,-0.2 -0.742 11.8-150.9 -88.3 106.9 13.1 0.2 -0.1 118 118 A L - 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