==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-DEC-04 2BFP . COMPND 2 MOLECULE: PTERIDINE REDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR A.W.SCHUETTELKOPF,W.N.HUNTER . 1046 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 760 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 0 0.0 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 . 64 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 380 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 1 0 0 8 1 5 4 6 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 4 4 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 . 4 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 4 0 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 6 A V 0 0 132 0, 0.0 25,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 100.7 8.6 31.6 34.5 2 7 A P - 0 0 44 0, 0.0 25,-2.8 0, 0.0 2,-0.4 -0.269 360.0-133.7 -73.5 153.5 9.5 31.7 38.2 3 8 A V E -a 27 0A 0 23,-0.2 91,-2.1 25,-0.1 90,-1.7 -0.890 14.6-165.3-112.3 134.5 8.4 29.0 40.7 4 9 A A E -ab 28 94A 0 23,-3.0 25,-3.0 -2,-0.4 2,-0.6 -0.951 8.3-154.9-118.7 136.0 6.9 29.5 44.2 5 10 A L E -ab 29 95A 0 89,-2.6 91,-2.6 -2,-0.4 2,-0.5 -0.947 16.1-174.7-105.2 119.8 6.5 26.9 46.9 6 11 A V E > -ab 30 96A 0 23,-2.6 25,-2.3 -2,-0.6 3,-0.6 -0.949 12.4-148.3-118.5 113.9 3.7 27.8 49.3 7 12 A T T 3 S+ 0 0 2 89,-2.1 91,-0.2 -2,-0.5 25,-0.1 -0.500 83.0 15.5 -78.8 148.0 3.1 25.6 52.4 8 13 A G T 3 S+ 0 0 24 -2,-0.2 3,-0.4 90,-0.2 6,-0.3 0.929 82.0 153.3 54.8 47.7 -0.5 25.2 53.7 9 14 A A < + 0 0 0 22,-2.3 9,-0.2 -3,-0.6 23,-0.1 0.502 37.4 93.0 -86.8 -3.0 -1.7 26.6 50.4 10 15 A A S S- 0 0 4 21,-0.5 2,-0.3 4,-0.1 -1,-0.2 0.805 93.4 -6.2 -64.7 -37.3 -5.1 24.9 50.4 11 16 A K S >> S+ 0 0 99 -3,-0.4 4,-2.0 31,-0.0 3,-0.6 -0.831 103.3 11.0-147.2-177.1 -7.2 27.6 51.9 12 17 A R H 3> S- 0 0 120 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.041 121.9 -3.7 47.0-129.6 -7.4 31.0 53.7 13 18 A L H 3> S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.915 136.5 52.3 -61.0 -47.1 -4.2 33.1 53.6 14 19 A G H <> S+ 0 0 0 -3,-0.6 4,-2.7 -6,-0.3 -2,-0.2 0.899 110.1 48.8 -56.1 -44.7 -2.1 30.4 51.9 15 20 A R H X S+ 0 0 114 -4,-2.0 4,-3.1 -7,-0.2 -1,-0.2 0.950 113.1 47.1 -58.4 -49.0 -4.7 30.0 49.1 16 21 A S H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.848 112.1 50.6 -62.5 -38.0 -4.7 33.8 48.7 17 22 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.938 112.9 46.1 -65.5 -44.2 -0.9 33.9 48.7 18 23 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.901 113.8 48.9 -64.5 -40.8 -0.8 31.1 46.0 19 24 A E H X S+ 0 0 60 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.925 111.7 48.6 -65.9 -44.5 -3.5 32.9 44.0 20 25 A G H X S+ 0 0 15 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.881 112.0 47.4 -63.5 -42.6 -1.7 36.2 44.1 21 26 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 3,-0.6 0.921 111.8 52.8 -65.6 -40.2 1.7 34.8 43.1 22 27 A H H ><5S+ 0 0 5 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.914 105.8 52.6 -60.6 -43.1 -0.1 32.9 40.3 23 28 A A H 3<5S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.732 104.9 56.9 -66.4 -21.8 -1.7 36.1 39.0 24 29 A E T <<5S- 0 0 118 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.498 130.9 -94.2 -85.8 -4.6 1.8 37.7 38.9 25 30 A G T < 5S+ 0 0 27 -3,-1.7 -3,-0.2 -4,-0.4 2,-0.2 0.467 77.3 140.9 107.6 4.1 3.0 34.9 36.6 26 31 A Y < - 0 0 23 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.3 -0.502 50.7-131.4 -80.8 146.6 4.4 32.3 39.1 27 32 A A E -a 3 0A 3 -25,-2.8 -23,-3.0 -2,-0.2 2,-0.5 -0.808 35.3-144.4 -87.6 138.8 4.0 28.6 38.7 28 33 A V E -ac 4 54A 0 25,-2.9 27,-1.7 -2,-0.4 2,-0.8 -0.926 20.1-156.2-122.2 126.0 2.9 27.4 42.2 29 34 A C E -ac 5 55A 0 -25,-3.0 -23,-2.6 -2,-0.5 2,-0.8 -0.857 22.6-154.4 -93.0 110.2 3.7 24.3 44.1 30 35 A L E -ac 6 56A 0 25,-2.9 27,-1.5 -2,-0.8 2,-0.2 -0.805 8.4-162.4 -92.0 105.4 0.7 24.0 46.5 31 36 A H E + c 0 57A 2 -25,-2.3 -22,-2.3 -2,-0.8 -21,-0.5 -0.603 14.8 169.2 -87.2 149.5 1.7 22.1 49.7 32 37 A Y E - c 0 58A 37 25,-2.0 27,-2.3 -2,-0.2 4,-0.1 -0.975 26.1-166.1-152.6 161.4 -1.0 20.6 51.9 33 38 A H S S- 0 0 53 -2,-0.3 3,-0.2 25,-0.2 -1,-0.1 0.693 88.8 -3.7-114.3 -67.7 -1.2 18.3 54.9 34 39 A R S S+ 0 0 198 1,-0.2 2,-1.0 25,-0.1 3,-0.3 0.583 113.3 82.2-107.5 -8.0 -4.9 17.3 55.4 35 40 A S > + 0 0 20 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.342 44.3 145.6 -99.1 59.3 -6.7 19.4 52.8 36 41 A A H > S+ 0 0 38 -2,-1.0 4,-3.0 1,-0.2 5,-0.3 0.927 71.7 50.6 -57.2 -47.6 -6.3 17.3 49.7 37 42 A A H > S+ 0 0 73 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.920 114.0 44.2 -60.9 -44.7 -9.6 18.1 48.2 38 43 A E H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 114.2 49.4 -66.5 -43.1 -9.1 21.9 48.6 39 44 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.955 113.1 46.8 -62.6 -48.9 -5.5 21.8 47.3 40 45 A N H X S+ 0 0 78 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.874 111.3 50.9 -62.1 -39.5 -6.5 19.7 44.3 41 46 A A H X S+ 0 0 59 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.929 111.5 48.7 -64.2 -41.6 -9.4 22.0 43.5 42 47 A L H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.918 111.5 49.4 -63.5 -43.4 -7.1 25.0 43.7 43 48 A S H X S+ 0 0 14 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.938 108.9 53.2 -58.8 -47.5 -4.6 23.3 41.4 44 49 A A H X S+ 0 0 61 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.910 109.9 48.0 -54.7 -45.8 -7.3 22.5 38.9 45 50 A T H X S+ 0 0 65 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.922 114.2 45.1 -62.5 -47.7 -8.4 26.2 38.8 46 51 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.920 113.9 48.7 -64.2 -43.3 -4.9 27.5 38.4 47 52 A N H < S+ 0 0 43 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.805 107.7 56.4 -66.8 -29.2 -4.0 24.9 35.7 48 53 A A H < S+ 0 0 85 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.886 109.7 44.6 -70.1 -38.0 -7.2 25.7 33.9 49 54 A R H < S+ 0 0 169 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.769 137.4 6.8 -73.9 -27.1 -6.2 29.4 33.6 50 55 A R S >< S- 0 0 84 -4,-1.5 3,-1.0 -5,-0.1 -1,-0.3 -0.813 87.2-119.6-158.9 109.3 -2.6 28.5 32.6 51 56 A P T 3 S+ 0 0 111 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.181 92.7 8.1 -55.1 144.3 -1.5 24.9 31.9 52 57 A N T 3 S+ 0 0 90 2,-0.1 3,-0.1 1,-0.1 -5,-0.1 0.814 91.4 119.9 52.2 37.5 1.3 23.4 34.0 53 58 A S < + 0 0 4 -3,-1.0 -25,-2.9 1,-0.2 2,-0.3 0.356 68.7 39.1-109.2 5.7 1.2 26.4 36.4 54 59 A A E +c 28 0A 4 -27,-0.2 2,-0.3 -4,-0.1 -25,-0.2 -0.986 51.9 170.5-157.2 142.5 0.3 24.4 39.5 55 60 A I E -c 29 0A 27 -27,-1.7 -25,-2.9 -2,-0.3 2,-0.3 -0.881 22.5-134.4-138.7 166.3 1.1 21.1 41.3 56 61 A T E -c 30 0A 40 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.971 16.0-176.4-126.1 148.8 0.2 19.7 44.8 57 62 A V E -c 31 0A 35 -27,-1.5 -25,-2.0 -2,-0.3 2,-0.4 -0.989 17.3-139.3-143.5 136.3 2.5 17.9 47.3 58 63 A Q E +c 32 0A 96 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.767 29.8 156.5-100.2 138.0 1.4 16.4 50.6 59 64 A A - 0 0 5 -27,-2.3 2,-0.6 -2,-0.4 -25,-0.1 -0.863 40.3-137.8-166.7 132.0 3.5 16.6 53.8 60 65 A D - 0 0 35 -2,-0.3 4,-0.1 1,-0.1 17,-0.1 -0.804 20.4-169.5 -81.3 120.4 3.2 16.5 57.5 61 66 A L + 0 0 9 -2,-0.6 70,-0.4 2,-0.1 -1,-0.1 0.218 44.6 122.9 -98.7 11.8 5.5 19.3 58.6 62 67 A S S S- 0 0 8 64,-0.2 2,-2.7 1,-0.1 61,-0.3 -0.463 80.7-104.8 -71.0 145.7 5.3 18.3 62.3 63 68 A N S S+ 0 0 39 59,-2.3 2,-0.3 56,-0.1 -1,-0.1 -0.341 85.8 106.6 -72.4 60.0 8.7 17.5 63.8 64 69 A V S S- 0 0 57 -2,-2.7 2,-0.3 -4,-0.1 -4,-0.1 -0.921 74.3-106.1-134.1 158.8 8.1 13.7 63.7 65 70 A A - 0 0 63 -2,-0.3 8,-0.2 8,-0.1 2,-0.2 -0.647 38.5-150.8 -82.0 139.7 9.4 10.8 61.7 66 71 A T B -G 72 0B 41 6,-3.6 6,-2.7 -2,-0.3 -1,-0.0 -0.634 24.1 -86.6-107.8 173.7 6.9 9.4 59.2 67 72 A A 0 0 86 4,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.520 360.0 360.0 -73.8 138.9 6.3 5.9 57.6 68 73 A P 0 0 127 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.326 360.0 360.0 -68.3 360.0 8.4 5.2 54.5 69 ! 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 70 81 A A 0 0 107 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.2 13.8 3.4 57.7 71 82 A P - 0 0 73 0, 0.0 2,-0.5 0, 0.0 -4,-0.2 -0.282 360.0-114.9 -63.2 151.6 11.4 6.1 59.0 72 83 A V B -G 66 0B 33 -6,-2.7 -6,-3.6 4,-0.0 2,-0.1 -0.794 28.6-140.3 -94.4 129.4 11.3 9.4 57.1 73 84 A T > - 0 0 7 -2,-0.5 4,-2.5 -8,-0.2 5,-0.2 -0.424 21.4-113.5 -85.4 159.8 12.5 12.5 58.9 74 85 A L H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.900 118.1 55.1 -56.6 -42.8 11.1 16.0 58.8 75 86 A F H > S+ 0 0 46 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.944 108.3 47.6 -56.6 -51.6 14.2 17.2 57.1 76 87 A T H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.943 111.5 50.3 -55.0 -50.5 13.9 14.6 54.3 77 88 A R H X S+ 0 0 15 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.890 113.1 47.9 -56.0 -38.3 10.2 15.5 53.9 78 89 A C H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 3,-0.4 0.914 110.4 48.9 -70.4 -44.3 11.2 19.2 53.6 79 90 A A H X S+ 0 0 34 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.884 108.6 56.8 -62.0 -34.6 14.0 18.5 51.2 80 91 A E H X S+ 0 0 115 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.807 102.9 53.8 -67.1 -30.7 11.4 16.5 49.2 81 92 A L H X S+ 0 0 2 -4,-1.2 4,-0.9 -3,-0.4 -1,-0.2 0.961 112.8 42.0 -67.8 -49.7 9.1 19.5 48.9 82 93 A V H >X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 3,-1.1 0.938 113.6 53.8 -62.2 -44.3 11.8 21.7 47.5 83 94 A A H 3X S+ 0 0 27 -4,-2.9 4,-3.1 1,-0.3 5,-0.3 0.862 98.4 63.3 -59.3 -36.4 13.0 18.9 45.2 84 95 A A H 3X S+ 0 0 26 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.848 102.7 50.8 -59.8 -30.1 9.5 18.5 43.9 85 96 A C H S+ 0 0 0 -3,-1.1 4,-2.5 -4,-0.9 6,-0.9 0.905 112.9 44.2 -73.0 -41.2 9.7 22.0 42.5 86 97 A Y H X5S+ 0 0 27 -4,-1.4 4,-1.5 4,-0.3 -2,-0.2 0.884 113.2 51.1 -70.0 -40.0 13.1 21.3 40.8 87 98 A T H <5S+ 0 0 124 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.899 119.6 35.5 -62.0 -45.3 12.0 17.9 39.4 88 99 A H H <5S+ 0 0 88 -4,-1.8 -2,-0.2 -5,-0.3 -3,-0.2 0.898 140.2 7.8 -81.0 -41.5 8.8 19.3 37.9 89 100 A W H <5S- 0 0 51 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.426 92.3-117.5-120.4 -4.6 9.9 22.8 36.7 90 101 A G S < 0 0 100 0, 0.0 4,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -98.4 -3.8 9.9 76.3 113 132 A D H > + 0 0 127 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.921 360.0 42.5 -68.0 -51.9 -2.1 12.7 78.3 114 133 A R H > S+ 0 0 141 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.847 110.0 56.5 -66.0 -40.7 1.6 12.3 77.3 115 134 A E H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.857 106.4 51.3 -61.3 -35.3 0.9 11.7 73.6 116 135 A A H X S+ 0 0 54 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.882 112.6 44.6 -69.3 -40.7 -1.0 15.0 73.4 117 136 A M H X S+ 0 0 37 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.923 116.0 47.6 -68.6 -46.0 1.9 17.0 75.0 118 137 A E H X S+ 0 0 93 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.904 116.7 42.4 -64.3 -40.6 4.4 15.2 72.8 119 138 A T H X S+ 0 0 69 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.853 111.3 54.9 -75.5 -33.3 2.5 15.7 69.6 120 139 A A H X S+ 0 0 14 -4,-2.2 4,-2.9 2,-0.2 5,-0.4 0.928 109.5 48.3 -64.0 -43.1 1.5 19.3 70.4 121 140 A T H X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.954 117.1 40.4 -61.7 -52.2 5.2 20.3 70.9 122 141 A A H X S+ 0 0 14 -4,-1.7 -59,-2.3 -5,-0.2 4,-2.1 0.878 119.5 46.1 -66.8 -38.4 6.3 18.6 67.7 123 142 A D H X S+ 0 0 29 -4,-2.8 4,-2.3 -61,-0.3 5,-0.4 0.970 117.3 40.2 -69.4 -55.5 3.3 19.8 65.7 124 143 A L H X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.3 -23,-0.3 0.940 123.4 41.0 -61.4 -46.4 3.2 23.4 66.8 125 144 A F H X>S+ 0 0 8 -4,-2.4 5,-2.6 -5,-0.4 4,-1.7 0.852 115.6 49.9 -70.5 -37.8 7.0 23.8 66.7 126 145 A G H <>S+ 0 0 0 -4,-2.1 5,-3.0 -5,-0.3 -2,-0.2 0.931 114.9 40.7 -66.5 -49.2 7.5 21.8 63.5 127 146 A S H <5S+ 0 0 11 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.1 0.930 125.0 35.7 -67.5 -45.4 4.9 23.7 61.4 128 147 A N H <5S- 0 0 1 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.700 139.2 -4.6 -83.5 -22.4 5.7 27.2 62.7 129 148 A A T X5S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -3,-0.2 0.644 121.8 49.7-137.9 -57.6 9.5 26.8 63.1 130 149 A I H > S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.901 109.4 53.0 -56.7 -39.2 10.5 26.4 57.8 133 152 A Y H X S+ 0 0 6 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.969 112.9 41.3 -58.8 -52.7 14.1 26.0 59.0 134 153 A F H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.836 114.4 53.0 -66.2 -33.7 14.7 22.8 57.0 135 154 A L H X S+ 0 0 1 -4,-3.0 4,-3.0 2,-0.2 -1,-0.2 0.928 110.0 47.2 -67.7 -43.9 12.8 24.2 54.1 136 155 A I H X S+ 0 0 0 -4,-2.8 4,-3.2 -5,-0.2 -2,-0.2 0.920 112.6 50.9 -62.7 -42.0 15.0 27.3 54.0 137 156 A K H X 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