==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-AUG-10 2XOX . COMPND 2 MOLECULE: PTERIDINE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA DONOVANI; . AUTHOR K.L.BARRACK,L.B.TULLOCH,L.A.BURKE,P.K.FYFE,W.N.HUNTER . 432 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 0 1 0 0 1 2 0 2 0 2 0 0 0 0 1 1 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 2 6 2 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 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 . 0 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 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 5 A T 0 0 160 0, 0.0 86,-0.1 0, 0.0 85,-0.0 0.000 360.0 360.0 360.0 1.8 23.2 9.6 1.6 2 6 A V - 0 0 78 84,-0.1 26,-0.1 1,-0.0 25,-0.1 -0.927 360.0-108.2 -90.7 123.8 22.7 10.2 5.3 3 7 A P - 0 0 48 0, 0.0 25,-3.3 0, 0.0 2,-0.4 -0.128 30.4-142.9 -51.1 149.6 26.2 10.9 6.8 4 8 A V E -a 28 0A 0 23,-0.3 86,-1.6 25,-0.0 87,-1.3 -0.944 9.7-160.5-127.6 134.5 27.8 8.3 9.0 5 9 A A E -ab 29 91A 0 23,-3.1 25,-3.1 -2,-0.4 2,-0.6 -0.977 6.7-152.5-122.3 137.1 29.9 8.8 12.1 6 10 A L E -ab 30 92A 0 85,-3.5 87,-3.2 -2,-0.4 2,-0.6 -0.920 15.2-176.2-111.6 114.3 32.4 6.4 13.7 7 11 A V E > -ab 31 93A 0 23,-2.0 25,-2.0 -2,-0.6 3,-0.7 -0.969 14.7-148.2-114.8 113.0 32.8 7.0 17.4 8 12 A T T 3 S+ 0 0 5 85,-2.2 87,-0.2 -2,-0.6 89,-0.1 -0.549 85.1 18.6 -71.2 148.9 35.4 4.8 19.2 9 13 A G T 3 S+ 0 0 12 -2,-0.2 3,-0.4 1,-0.1 6,-0.4 0.829 76.7 152.5 57.8 33.6 34.5 4.0 22.9 10 14 A A < + 0 0 0 22,-1.1 3,-0.2 -3,-0.7 23,-0.2 0.676 53.0 77.6 -60.6 -20.4 30.8 4.9 22.3 11 15 A A S S+ 0 0 10 21,-0.8 2,-0.5 1,-0.2 -1,-0.2 0.933 92.8 39.1 -66.9 -46.9 29.7 2.5 25.0 12 16 A K S S- 0 0 114 -3,-0.4 2,-0.7 4,-0.1 3,-0.5 -0.901 104.7 -51.3-139.7 127.4 30.4 4.5 28.1 13 17 A R S > S+ 0 0 175 -2,-0.5 4,-2.1 1,-0.2 5,-0.1 -0.733 121.2 22.2 69.9 -91.4 30.2 8.0 29.2 14 18 A L H > S+ 0 0 60 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.950 125.2 53.7 -73.9 -43.5 31.8 10.7 27.0 15 19 A G H > S+ 0 0 1 -3,-0.5 4,-2.5 -6,-0.4 -1,-0.2 0.886 108.4 49.5 -45.8 -50.2 31.5 8.4 24.0 16 20 A S H > S+ 0 0 22 -7,-0.3 4,-4.3 2,-0.2 5,-0.2 0.954 109.9 50.3 -62.1 -49.7 27.8 7.8 24.5 17 21 A G H X S+ 0 0 19 -4,-2.1 4,-3.5 1,-0.2 5,-0.2 0.943 114.0 45.6 -47.6 -56.1 27.1 11.6 24.8 18 22 A I H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.835 114.7 46.1 -60.3 -43.7 28.9 12.3 21.6 19 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.942 115.5 47.8 -66.5 -44.4 27.3 9.4 19.8 20 24 A E H X S+ 0 0 71 -4,-4.3 4,-3.1 -5,-0.2 -2,-0.2 0.924 113.9 46.4 -59.5 -47.3 23.9 10.5 21.1 21 25 A G H X S+ 0 0 16 -4,-3.5 4,-0.5 2,-0.2 -1,-0.2 0.930 114.5 46.7 -60.5 -49.1 24.5 14.1 20.2 22 26 A L H ><>S+ 0 0 0 -4,-2.7 5,-1.5 1,-0.2 3,-1.0 0.903 113.5 49.9 -61.2 -42.2 25.8 13.3 16.7 23 27 A H H ><5S+ 0 0 6 -4,-2.9 3,-2.7 1,-0.2 -2,-0.2 0.931 103.6 58.3 -61.3 -48.5 22.8 10.9 16.3 24 28 A A H 3<5S+ 0 0 78 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.605 103.2 55.6 -59.1 -10.2 20.4 13.6 17.4 25 29 A E T <<5S- 0 0 126 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.382 126.9-100.4 -96.0 -6.5 21.8 15.7 14.5 26 30 A G T < 5S+ 0 0 27 -3,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.617 73.7 137.2 98.7 14.5 20.9 12.9 12.0 27 31 A Y < - 0 0 27 -5,-1.5 2,-0.4 -25,-0.1 -1,-0.3 -0.636 57.9-117.7 -76.4 150.9 24.1 11.0 11.3 28 32 A A E -a 4 0A 3 -25,-3.3 -23,-3.1 -2,-0.3 2,-0.4 -0.768 39.5-144.4 -80.4 136.7 24.0 7.3 11.2 29 33 A V E -ac 5 55A 0 25,-2.6 27,-1.6 -2,-0.4 2,-0.6 -0.884 19.2-157.2-117.2 135.9 26.3 6.2 14.0 30 34 A C E -ac 6 56A 0 -25,-3.1 -23,-2.0 -2,-0.4 2,-0.9 -0.938 19.0-155.3-111.1 110.7 28.7 3.3 14.3 31 35 A L E -ac 7 57A 0 25,-2.1 27,-1.7 -2,-0.6 -23,-0.2 -0.708 7.1-157.4 -96.7 94.2 29.2 2.7 18.1 32 36 A H E + c 0 58A 11 -25,-2.0 -22,-1.1 -2,-0.9 -21,-0.8 -0.382 19.3 165.6 -71.1 144.4 32.5 1.0 18.7 33 37 A Y E - c 0 59A 43 25,-1.4 27,-1.9 -24,-0.2 4,-0.1 -0.974 23.2-169.6-147.6 167.5 33.0 -1.0 21.9 34 38 A H S S- 0 0 66 -2,-0.3 -1,-0.1 25,-0.2 3,-0.1 0.761 85.0 -1.9-116.7 -63.3 35.4 -3.5 23.2 35 39 A R S S+ 0 0 209 1,-0.1 2,-1.9 24,-0.0 3,-0.3 0.680 110.6 83.8-104.7 -28.5 34.3 -5.2 26.4 36 40 A S > + 0 0 41 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.487 41.5 153.6 -90.7 79.5 30.9 -3.4 27.1 37 41 A A H > S+ 0 0 38 -2,-1.9 4,-2.6 2,-0.2 5,-0.3 0.917 71.4 55.0 -65.1 -44.1 28.5 -5.3 25.0 38 42 A A H > S+ 0 0 59 -3,-0.3 4,-3.2 1,-0.2 5,-0.3 0.978 111.3 45.1 -57.6 -60.2 25.5 -4.5 27.2 39 43 A E H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.852 114.4 47.4 -46.7 -48.7 26.1 -0.7 27.0 40 44 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.959 117.4 41.2 -67.4 -45.1 26.7 -0.8 23.2 41 45 A N H X S+ 0 0 84 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.911 114.8 50.7 -65.1 -46.4 23.7 -2.9 22.3 42 46 A T H X S+ 0 0 90 -4,-3.2 4,-2.5 -5,-0.3 5,-0.2 0.978 115.1 44.6 -49.4 -59.6 21.3 -1.1 24.8 43 47 A L H X S+ 0 0 20 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.892 112.9 50.1 -56.2 -45.9 22.4 2.3 23.4 44 48 A A H X S+ 0 0 4 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.872 110.4 50.7 -60.7 -38.4 22.1 1.1 19.7 45 49 A A H X S+ 0 0 59 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.971 108.2 51.4 -64.5 -54.3 18.6 -0.3 20.4 46 50 A T H X S+ 0 0 58 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.894 115.3 43.7 -43.3 -47.8 17.5 3.0 21.9 47 51 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.885 113.2 48.2 -72.2 -41.0 18.8 4.9 18.9 48 52 A N H < S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.860 107.2 60.2 -69.7 -31.6 17.4 2.5 16.3 49 53 A A H < S+ 0 0 83 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.941 107.2 44.5 -52.7 -51.4 14.2 2.8 18.3 50 54 A R H < S+ 0 0 152 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.779 135.5 5.8 -68.4 -29.6 14.1 6.6 17.6 51 55 A R S >< S- 0 0 78 -4,-1.6 3,-0.8 -5,-0.1 -1,-0.3 -0.929 86.8-113.1-158.5 125.9 15.0 6.2 13.9 52 56 A P T 3 S+ 0 0 114 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.454 92.1 4.1 -77.7 136.3 15.4 2.9 12.0 53 57 A N T 3 S+ 0 0 96 -2,-0.2 3,-0.1 2,-0.2 -5,-0.1 0.887 93.8 120.2 66.4 42.3 18.8 1.7 10.7 54 58 A S < + 0 0 2 -3,-0.8 -25,-2.6 1,-0.2 2,-0.3 0.498 67.2 30.0-114.7 -6.2 20.5 4.6 12.3 55 59 A A E -c 29 0A 3 -27,-0.2 -1,-0.2 -4,-0.1 -25,-0.2 -0.994 53.8-179.7-152.9 142.8 23.0 2.9 14.7 56 60 A I E -c 30 0A 24 -27,-1.6 -25,-2.1 -2,-0.3 2,-0.3 -0.995 24.6-129.0-140.9 147.9 25.0 -0.3 15.0 57 61 A P E -c 31 0A 39 0, 0.0 2,-0.4 0, 0.0 -25,-0.2 -0.649 26.0-171.5 -89.2 149.7 27.4 -1.7 17.6 58 62 A V E -c 32 0A 25 -27,-1.7 -25,-1.4 -2,-0.3 2,-0.2 -0.953 12.8-138.4-146.3 129.6 30.7 -2.9 16.3 59 63 A Q E +c 33 0A 98 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.580 30.0 151.9 -97.1 139.3 33.3 -4.7 18.2 60 64 A A - 0 0 9 -27,-1.9 2,-0.7 -2,-0.2 -2,-0.1 -0.931 40.1-132.4-162.4 139.4 37.1 -4.2 18.2 61 65 A D + 0 0 50 -2,-0.3 13,-0.1 1,-0.1 -27,-0.1 -0.870 23.9 177.9 -88.6 118.3 40.2 -4.6 20.4 62 66 A L + 0 0 21 -2,-0.7 54,-0.2 2,-0.1 -1,-0.1 0.122 37.9 121.7-111.7 18.1 42.1 -1.3 20.0 63 67 A S S S- 0 0 39 2,-0.1 2,-0.9 1,-0.1 46,-0.1 -0.360 74.0-103.6 -71.1 162.8 44.9 -2.3 22.5 64 68 A N 0 0 58 44,-0.3 48,-0.1 -2,-0.1 47,-0.1 -0.770 360.0 360.0-100.6 97.3 48.5 -2.3 21.2 65 69 A V 0 0 132 -2,-0.9 -2,-0.1 4,-0.1 4,-0.1 -0.574 360.0 360.0 158.0 360.0 49.5 -5.9 20.7 66 ! 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 67 81 A A 0 0 125 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 156.4 49.7 -12.8 11.9 68 82 A P - 0 0 128 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.724 360.0 -73.9 -61.3 143.8 48.1 -12.7 15.3 69 83 A V - 0 0 79 -2,-0.4 -4,-0.1 1,-0.1 2,-0.1 -0.208 52.1-134.0 -65.1 126.7 46.0 -9.7 14.2 70 84 A T > - 0 0 75 1,-0.1 4,-2.1 -6,-0.1 5,-0.2 -0.406 19.2-118.3 -70.0 150.0 48.0 -6.4 13.9 71 85 A L H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.912 115.8 59.5 -51.7 -47.8 46.4 -3.2 15.4 72 86 A F H > S+ 0 0 92 1,-0.2 4,-3.2 2,-0.2 3,-0.4 0.966 106.3 45.2 -41.2 -64.5 46.5 -1.7 11.9 73 87 A K H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.887 112.3 50.9 -55.1 -41.3 44.3 -4.5 10.6 74 88 A R H X S+ 0 0 35 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.913 113.2 46.5 -63.0 -38.4 41.8 -4.3 13.5 75 89 A C H X S+ 0 0 0 -4,-2.7 4,-2.0 -3,-0.4 5,-0.2 0.939 111.3 51.6 -70.6 -47.6 41.6 -0.6 12.9 76 90 A A H X S+ 0 0 27 -4,-3.2 4,-1.6 -5,-0.2 -2,-0.2 0.887 110.6 48.8 -52.1 -43.8 41.2 -1.0 9.2 77 91 A D H X S+ 0 0 83 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.869 107.6 53.4 -69.2 -38.8 38.3 -3.6 9.7 78 92 A L H X S+ 0 0 5 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.925 111.7 45.3 -58.3 -46.7 36.4 -1.4 12.2 79 93 A V H >X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 3,-0.8 0.859 111.4 55.0 -64.7 -31.7 36.5 1.4 9.6 80 94 A A H 3X S+ 0 0 16 -4,-1.6 4,-1.5 -5,-0.2 5,-0.3 0.833 93.7 68.7 -70.9 -30.2 35.4 -1.2 7.0 81 95 A A H 3X S+ 0 0 26 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.699 99.2 51.6 -63.4 -22.4 32.4 -2.2 9.1 82 96 A C H S+ 0 0 0 -3,-0.8 4,-3.3 -4,-0.6 5,-0.6 0.887 110.6 45.5 -72.6 -51.2 30.9 1.3 8.3 83 97 A Y H X5S+ 0 0 21 -4,-1.1 4,-4.2 2,-0.2 5,-0.2 0.989 114.1 47.9 -57.6 -71.0 31.4 1.0 4.5 84 98 A T H <5S+ 0 0 126 -4,-1.5 -1,-0.2 1,-0.2 -3,-0.2 0.827 120.1 39.7 -19.0 -64.3 30.0 -2.5 4.3 85 99 A H H <5S+ 0 0 77 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.930 137.4 6.9 -70.6 -44.8 27.1 -1.5 6.4 86 100 A W H <5S- 0 0 45 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.447 91.7-114.7-122.3 -7.9 26.2 2.0 5.1 87 101 A G S < + 0 0 171 2,-0.1 4,-2.0 3,-0.1 5,-0.2 0.688 360.0 67.3 -77.7 -26.3 56.6 -4.2 37.1 101 135 A A H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.905 94.9 48.8 -69.9 -47.4 53.0 -4.8 36.2 102 136 A M H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.864 113.0 53.7 -54.9 -35.9 51.6 -1.3 36.4 103 137 A E H > S+ 0 0 126 -4,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.880 108.0 43.4 -75.1 -42.9 54.5 -0.2 34.3 104 138 A A H X S+ 0 0 53 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.844 116.9 49.7 -70.1 -32.6 54.1 -2.6 31.4 105 139 A A H X S+ 0 0 48 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.858 107.5 53.0 -73.9 -37.8 50.4 -1.9 31.4 106 140 A A H X S+ 0 0 4 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.820 111.4 48.2 -65.1 -30.7 51.0 1.9 31.5 107 141 A A H X S+ 0 0 52 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.927 110.7 49.0 -68.4 -50.0 53.2 1.3 28.4 108 142 A D H X S+ 0 0 92 -4,-2.5 4,-2.0 1,-0.2 -44,-0.3 0.946 112.1 49.8 -56.0 -49.3 50.6 -0.8 26.6 109 143 A L H X S+ 0 0 35 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.917 109.1 51.5 -52.9 -57.0 48.0 1.9 27.4 110 144 A F H X S+ 0 0 54 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.899 113.0 43.8 -44.5 -52.6 50.2 4.8 26.1 111 145 A G H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 5,-0.4 0.856 111.5 55.0 -72.1 -28.8 50.9 3.1 22.8 112 146 A S H X S+ 0 0 16 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.968 106.9 49.6 -69.5 -49.5 47.4 2.0 22.4 113 147 A N H < S+ 0 0 9 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.654 118.4 38.3 -58.1 -23.4 46.0 5.6 22.8 114 148 A A H X S+ 0 0 19 -4,-1.0 4,-1.7 -3,-0.2 -2,-0.2 0.898 122.0 39.6 -93.9 -52.6 48.5 7.1 20.2 115 149 A M H X S+ 0 0 63 -4,-2.3 4,-3.2 2,-0.2 5,-0.4 0.886 106.1 59.9 -72.5 -43.9 48.5 4.3 17.6 116 150 A A H X S+ 0 0 7 -4,-2.5 4,-2.8 -5,-0.4 5,-0.2 0.952 112.2 41.9 -53.6 -50.1 44.9 3.3 17.5 117 151 A P H > S+ 0 0 10 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.885 112.5 55.4 -59.7 -35.4 43.9 6.8 16.5 118 152 A Y H X S+ 0 0 100 -4,-1.7 4,-2.3 1,-0.2 3,-0.2 0.973 113.6 39.9 -63.7 -52.3 46.9 7.0 14.1 119 153 A F H X S+ 0 0 39 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.843 112.3 55.3 -60.5 -43.1 45.8 3.8 12.3 120 154 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 -5,-0.4 -1,-0.2 0.884 109.4 48.1 -56.2 -41.1 42.2 4.7 12.4 121 155 A I H X S+ 0 0 8 -4,-2.4 4,-2.0 -3,-0.2 -2,-0.2 0.917 109.8 53.1 -70.3 -40.4 43.1 7.9 10.7 122 156 A K H X S+ 0 0 96 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.920 113.0 43.0 -54.8 -45.9 45.1 6.0 8.2 123 157 A A H X S+ 0 0 9 -4,-2.6 4,-3.0 1,-0.2 3,-0.5 0.976 111.2 52.6 -72.2 -52.9 42.2 3.7 7.3 124 158 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.882 114.0 45.4 -37.3 -53.2 39.6 6.4 7.2 125 159 A A H X S+ 0 0 9 -4,-2.0 4,-2.4 2,-0.2 -1,-0.3 0.778 108.9 53.4 -71.3 -33.9 41.8 8.3 4.8 126 160 A H H X S+ 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