==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-JUL-10 3NV9 . COMPND 2 MOLECULE: MALIC ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR D.DUTTA,A.CHAKRABARTY,S.K.GHOSH,A.K.DAS . 972 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 716 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.5 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 43 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 378 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.1 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 6 5 2 0 0 2 4 2 4 0 0 3 3 1 2 0 1 0 1 1 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 9 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 0 PARALLEL BRIDGES PER LADDER . 6 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 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 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 M 0 0 191 0, 0.0 13,-0.1 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0 164.1 32.6 38.0 14.1 2 2 A A - 0 0 56 11,-0.2 2,-0.3 1,-0.1 3,-0.0 -0.032 360.0-140.8 -59.1 146.1 31.7 34.9 12.0 3 3 A Q - 0 0 110 1,-0.1 -1,-0.1 474,-0.0 10,-0.0 -0.754 38.6 -85.3 -98.5 157.2 29.6 32.1 13.3 4 4 A L - 0 0 1 -2,-0.3 2,-0.2 466,-0.1 470,-0.1 -0.327 43.7-121.9 -60.2 141.0 30.5 28.5 12.4 5 5 A K > - 0 0 114 1,-0.1 3,-2.6 468,-0.1 5,-0.1 -0.567 22.5-112.5 -80.1 151.3 29.0 27.2 9.1 6 6 A A T 3 S+ 0 0 66 1,-0.3 537,-0.2 -2,-0.2 462,-0.1 0.807 119.3 52.2 -49.1 -33.2 26.8 24.1 9.0 7 7 A D T 3 S- 0 0 59 536,-0.1 539,-0.5 535,-0.1 540,-0.3 0.418 105.6-128.2 -90.5 1.0 29.6 22.3 7.1 8 8 A L X + 0 0 0 -3,-2.6 3,-0.7 538,-0.1 -2,-0.1 0.648 67.4 131.6 64.7 15.9 32.3 23.2 9.7 9 9 A S T 3 + 0 0 59 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.595 65.8 50.6 -71.6 -14.8 34.6 24.6 6.9 10 10 A N T 3> + 0 0 13 1,-0.2 4,-1.0 -5,-0.1 -1,-0.2 -0.106 62.5 122.7-123.8 34.2 35.5 27.9 8.7 11 11 A L H X> S+ 0 0 7 -3,-0.7 3,-1.0 1,-0.2 4,-0.9 0.926 72.8 60.4 -63.3 -45.1 36.5 26.9 12.2 12 12 A E H >4 S+ 0 0 81 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.873 107.5 45.5 -44.9 -45.5 39.9 28.6 11.8 13 13 A E H 34 S+ 0 0 117 1,-0.2 -1,-0.3 -3,-0.2 -11,-0.2 0.675 107.6 57.2 -77.3 -21.6 38.2 32.0 11.2 14 14 A C H << S+ 0 0 6 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.561 88.6 87.2 -86.4 -11.5 35.8 31.5 14.1 15 15 A L S << S- 0 0 3 -4,-0.9 9,-0.0 -3,-0.7 462,-0.0 -0.825 97.1-102.6 -88.1 123.2 38.7 31.1 16.5 16 16 A P > - 0 0 23 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 -0.132 16.5-127.6 -52.5 135.9 39.7 34.6 17.6 17 17 A S T 3 S+ 0 0 117 1,-0.2 -2,-0.0 -4,-0.2 -3,-0.0 0.833 104.4 63.6 -39.4 -44.0 42.7 36.4 16.1 18 18 A T T 3 S+ 0 0 130 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.621 75.8 111.3 -74.6 -15.0 44.1 37.1 19.6 19 19 A L < - 0 0 13 -3,-1.5 2,-0.1 1,-0.1 466,-0.0 -0.311 68.7-124.8 -58.3 136.2 44.6 33.4 20.5 20 20 A S > - 0 0 55 1,-0.1 4,-3.2 4,-0.0 5,-0.2 -0.368 29.6-102.8 -69.8 163.3 48.2 32.3 20.8 21 21 A Q H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.881 124.4 49.7 -56.6 -43.3 49.3 29.3 18.7 22 22 A E H > S+ 0 0 127 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.978 112.5 45.9 -58.6 -59.5 49.1 27.1 21.8 23 23 A Q H > S+ 0 0 54 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.895 112.4 52.2 -46.2 -48.1 45.6 28.3 22.7 24 24 A R H X S+ 0 0 44 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.955 112.3 44.7 -61.3 -49.1 44.5 27.9 19.1 25 25 A A H X S+ 0 0 4 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.901 116.3 46.0 -58.5 -44.2 45.8 24.2 19.0 26 26 A V H X S+ 0 0 55 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.930 111.0 53.5 -68.3 -42.2 44.3 23.4 22.4 27 27 A A H X S+ 0 0 0 -4,-3.3 4,-2.7 -5,-0.3 -2,-0.2 0.838 105.9 52.5 -65.5 -34.6 40.9 25.1 21.5 28 28 A K H X S+ 0 0 8 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.892 110.9 48.2 -61.4 -38.6 40.6 23.0 18.3 29 29 A T H X S+ 0 0 5 -4,-1.5 4,-2.7 -3,-0.2 -2,-0.2 0.972 115.0 43.7 -66.2 -52.7 41.1 19.9 20.4 30 30 A Q H X S+ 0 0 26 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.868 111.7 54.7 -61.7 -39.9 38.6 20.9 23.0 31 31 A F H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.967 112.2 42.9 -58.5 -52.2 36.1 22.1 20.3 32 32 A Y H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.861 114.0 50.3 -67.2 -37.2 36.1 18.7 18.5 33 33 A K H X S+ 0 0 38 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.957 114.3 44.5 -62.2 -47.2 36.0 16.8 21.8 34 34 A E H X S+ 0 0 15 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.897 115.0 48.0 -66.6 -37.9 33.0 18.8 23.0 35 35 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 -5,-0.2 5,-0.4 0.888 107.4 57.3 -65.5 -41.7 31.3 18.6 19.6 36 36 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 5,-0.3 0.960 108.0 47.2 -51.4 -49.7 32.0 14.9 19.5 37 37 A E H X S+ 0 0 40 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.923 116.3 43.2 -54.8 -52.4 30.0 14.6 22.8 38 38 A K H X S+ 0 0 71 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.950 116.1 45.4 -60.5 -53.1 27.1 16.7 21.6 39 39 A V H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 6,-0.2 0.837 111.0 51.5 -70.6 -32.1 26.7 15.1 18.1 40 40 A H H X>S+ 0 0 0 -4,-2.3 5,-1.8 -5,-0.4 4,-1.1 0.951 115.1 43.2 -69.2 -43.7 27.0 11.5 19.2 41 41 A K H <5S+ 0 0 97 -4,-1.6 3,-0.5 -5,-0.3 -2,-0.2 0.951 109.9 58.2 -64.5 -44.8 24.3 12.0 21.8 42 42 A F H <5S+ 0 0 81 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.888 121.4 24.9 -49.6 -48.0 22.2 14.0 19.4 43 43 A Y H <5S- 0 0 21 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.458 104.8-124.4 -97.9 -2.9 22.0 11.2 16.8 44 44 A K T <5S- 0 0 101 -4,-1.1 2,-0.3 -3,-0.5 529,-0.2 0.951 79.8 -23.6 55.8 51.5 22.5 8.4 19.4 45 45 A G S S- 0 0 22 1,-0.1 3,-1.9 -3,-0.1 4,-0.3 -0.937 73.1 -97.1-173.7 159.1 4.3 -5.4 -1.0 58 58 A F G > S+ 0 0 42 1,-0.3 3,-3.2 -2,-0.3 4,-0.4 0.855 113.9 63.1 -46.7 -49.2 3.5 -7.7 2.0 59 59 A N G > S+ 0 0 34 435,-0.4 3,-1.1 1,-0.3 4,-0.4 0.734 84.0 75.7 -58.0 -25.1 4.0 -10.9 -0.0 60 60 A W G X> S+ 0 0 3 -3,-1.9 4,-1.4 434,-0.3 3,-1.3 0.742 84.2 67.1 -50.4 -25.0 7.6 -10.1 -0.6 61 61 A F H <> S+ 0 0 10 -3,-3.2 4,-1.3 -4,-0.3 -1,-0.2 0.865 88.5 65.9 -71.4 -29.8 8.1 -11.2 3.1 62 62 A N H <4 S+ 0 0 0 -3,-1.1 6,-2.3 -4,-0.4 -1,-0.3 0.713 106.2 42.2 -57.2 -20.9 7.2 -14.7 2.0 63 63 A A H <4 S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.760 117.9 44.3 -91.1 -31.4 10.4 -14.6 -0.0 64 64 A Y H < S+ 0 0 3 -4,-1.4 2,-0.2 2,-0.1 -2,-0.2 0.514 128.5 12.7 -88.3 -6.0 12.5 -13.0 2.6 65 65 A Y S X S+ 0 0 8 -4,-1.3 4,-2.2 -5,-0.2 5,-0.2 -0.708 106.7 10.1-155.1-169.5 11.2 -15.1 5.5 66 66 A T T 4 S+ 0 0 1 1,-0.3 772,-0.9 -2,-0.2 -2,-0.1 -0.383 119.5 15.3 -66.1 137.2 9.2 -18.2 5.9 67 67 A P T >4 S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.956 131.8 38.6 -91.7 -26.1 8.5 -20.0 3.7 68 68 A G T >> S+ 0 0 0 -6,-2.3 3,-2.0 1,-0.3 4,-0.6 0.824 101.6 70.7 -51.1 -39.5 10.8 -18.9 0.9 69 69 A V H 3X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.3 3,-0.5 0.696 81.0 76.9 -59.1 -17.1 13.9 -18.3 3.1 70 70 A S H <> S+ 0 0 2 -3,-1.7 4,-2.4 1,-0.3 -1,-0.3 0.876 86.4 60.3 -61.9 -37.0 14.3 -22.1 3.6 71 71 A R H <> S+ 0 0 31 -3,-2.0 4,-2.7 -4,-0.3 -1,-0.3 0.877 105.4 49.4 -53.2 -39.6 15.8 -22.3 0.1 72 72 A I H X S+ 0 0 0 -4,-0.6 4,-2.7 -3,-0.5 5,-0.2 0.918 108.3 52.4 -68.3 -42.7 18.5 -20.0 1.4 73 73 A S H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.932 116.4 38.4 -58.7 -45.8 19.1 -22.1 4.5 74 74 A T H X S+ 0 0 29 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.916 113.5 55.7 -77.0 -39.2 19.5 -25.3 2.5 75 75 A N H X S+ 0 0 35 -4,-2.7 4,-1.3 -5,-0.3 7,-0.2 0.941 112.0 44.0 -53.1 -49.3 21.4 -23.6 -0.4 76 76 A I H >< S+ 0 0 0 -4,-2.7 3,-0.6 523,-0.2 -2,-0.2 0.948 110.1 55.3 -62.7 -47.2 23.9 -22.3 2.1 77 77 A R H 3< S+ 0 0 87 -4,-2.2 3,-0.4 -5,-0.2 -2,-0.2 0.919 116.0 38.1 -50.2 -47.3 24.2 -25.7 4.0 78 78 A D H 3< S+ 0 0 116 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.601 132.2 26.0 -85.5 -12.6 25.1 -27.5 0.7 79 79 A N X< - 0 0 85 -4,-1.3 3,-1.4 -3,-0.6 4,-0.3 -0.657 65.7-176.0-149.4 85.0 27.3 -24.7 -0.7 80 80 A N G > S+ 0 0 59 -3,-0.4 3,-1.9 1,-0.3 4,-0.2 0.818 82.7 62.7 -54.9 -35.4 28.8 -22.5 2.1 81 81 A D G > S+ 0 0 90 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.807 88.8 69.3 -61.9 -28.5 30.4 -20.1 -0.4 82 82 A S G X> S+ 0 0 3 -3,-1.4 4,-2.0 1,-0.3 3,-1.2 0.669 79.3 78.3 -65.6 -14.9 27.0 -19.2 -1.7 83 83 A S H <> S+ 0 0 0 -3,-1.9 4,-0.7 -4,-0.3 7,-0.5 0.802 82.8 68.5 -55.3 -24.8 26.5 -17.5 1.7 84 84 A L H <4 S+ 0 0 30 -3,-2.2 6,-0.5 -4,-0.2 -1,-0.2 0.719 114.4 22.4 -74.9 -19.9 28.6 -14.7 0.1 85 85 A F H <4 S+ 0 0 58 -3,-1.2 447,-0.3 -4,-0.3 446,-0.2 0.547 115.3 61.5-122.0 -6.4 25.9 -13.8 -2.3 86 86 A Y H < S+ 0 0 19 -4,-2.0 2,-0.3 445,-0.2 446,-0.2 0.479 116.8 24.7 -94.3 -1.0 22.6 -15.0 -0.7 87 87 A S S >< S- 0 0 1 -4,-0.7 3,-0.9 -5,-0.2 445,-0.1 -0.931 95.4 -92.8-149.7 169.1 23.3 -12.7 2.2 88 88 A L G > S+ 0 0 1 -2,-0.3 3,-3.4 1,-0.2 4,-0.3 0.698 96.5 100.3 -59.1 -19.1 25.1 -9.4 3.1 89 89 A R G > + 0 0 16 1,-0.3 3,-2.4 -6,-0.3 74,-0.4 0.812 69.8 63.6 -39.7 -47.4 28.1 -11.5 4.2 90 90 A G G < S+ 0 0 24 -3,-0.9 -1,-0.3 -6,-0.5 -2,-0.1 0.728 117.5 27.9 -55.4 -22.4 30.0 -10.9 0.9 91 91 A N G < S+ 0 0 29 -3,-3.4 40,-2.1 440,-0.2 2,-0.5 0.136 99.4 114.5-119.7 23.8 30.1 -7.1 1.6 92 92 A F E < -b 131 0B 0 -3,-2.4 71,-3.3 -4,-0.3 72,-1.4 -0.832 40.5-173.7-110.9 121.3 30.1 -7.4 5.5 93 93 A V E -bc 132 164B 0 38,-2.7 40,-1.6 -2,-0.5 2,-0.5 -0.926 13.9-147.7-115.3 132.2 33.1 -6.3 7.7 94 94 A G E -bc 133 165B 0 70,-1.7 72,-3.1 -2,-0.4 2,-1.0 -0.902 5.9-151.2 -98.0 125.3 33.4 -6.8 11.5 95 95 A V E -bc 134 166B 0 38,-2.4 40,-3.4 -2,-0.5 2,-0.5 -0.849 25.8-168.4 -97.0 96.9 35.4 -4.1 13.2 96 96 A V E +bc 135 167B 0 70,-1.1 72,-2.7 -2,-1.0 2,-0.3 -0.781 17.1 153.6 -99.3 123.3 36.6 -6.3 16.1 97 97 A S E -b 136 0B 0 38,-1.8 40,-2.5 -2,-0.5 72,-0.1 -0.988 41.4-155.3-144.4 150.1 38.3 -4.7 19.1 98 98 A D - 0 0 3 70,-0.4 41,-0.4 -2,-0.3 72,-0.1 0.281 49.9-122.3-102.4 7.6 38.8 -5.6 22.8 99 99 A S S S+ 0 0 0 69,-0.4 9,-2.2 70,-0.2 10,-0.3 0.743 75.7 126.7 57.8 38.8 39.1 -1.8 23.4 100 100 A T S S+ 0 0 3 69,-1.1 70,-0.2 7,-0.2 69,-0.1 0.703 76.6 27.0-100.3 -25.9 42.5 -2.3 24.9 101 101 A R S S+ 0 0 69 68,-2.3 2,-1.1 67,-0.1 -1,-0.2 -0.512 73.8 165.6-130.6 65.0 44.5 0.3 22.7 102 102 A V B >> -E 106 0C 0 4,-2.9 3,-1.2 -3,-0.3 4,-0.5 -0.707 65.3 -60.8 -95.7 106.5 41.9 2.8 21.7 103 103 A L G >4 S- 0 0 25 -2,-1.1 3,-1.0 1,-0.2 224,-0.1 -0.184 102.4 -38.7 42.9-145.8 43.8 5.7 20.3 104 104 A G G 34 S+ 0 0 15 224,-1.8 201,-0.6 1,-0.2 -1,-0.2 0.473 132.0 77.9 -83.8 -0.0 46.1 7.3 22.9 105 105 A D G <4 S- 0 0 40 -3,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.729 81.7-170.7 -81.1 -22.0 43.5 6.7 25.6 106 106 A G B << +E 102 0C 2 -3,-1.0 -4,-2.9 -4,-0.5 2,-0.7 -0.506 52.5 23.3 81.1-130.4 44.5 3.1 25.7 107 107 A D + 0 0 85 -2,-0.3 -7,-0.2 -6,-0.2 -8,-0.1 -0.679 59.9 166.9 -84.5 113.4 42.4 0.6 27.6 108 108 A V - 0 0 0 -9,-2.2 4,-0.2 -2,-0.7 -1,-0.1 0.145 55.4 -95.5-114.1 21.7 38.8 2.1 27.9 109 109 A T >> - 0 0 42 -10,-0.3 3,-2.0 1,-0.1 4,-0.5 0.311 54.3 -69.5 64.6 157.3 36.9 -1.1 29.1 110 110 A P G >4 S+ 0 0 11 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.817 134.8 40.5 -52.9 -48.3 35.1 -3.3 26.5 111 111 A P G >4 S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.620 97.6 83.2 -70.1 -13.9 32.2 -0.9 25.5 112 112 A G G X4 S+ 0 0 0 -3,-2.0 3,-0.5 1,-0.3 4,-0.3 0.708 80.9 60.9 -63.7 -24.0 34.6 2.0 25.5 113 113 A G G S+ 0 0 0 -3,-1.5 4,-2.3 1,-0.2 5,-0.2 0.803 79.2 55.1 -58.3 -38.6 32.3 1.7 20.5 115 115 A G H <> S+ 0 0 0 -3,-0.5 4,-1.7 -4,-0.2 -1,-0.2 0.953 115.4 38.6 -59.4 -50.2 32.8 5.5 19.5 116 116 A V H > S+ 0 0 3 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.904 117.2 48.5 -71.6 -40.9 35.9 4.7 17.5 117 117 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.846 111.3 51.0 -73.7 -30.8 34.7 1.4 16.0 118 118 A E H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.864 108.7 51.2 -67.3 -37.6 31.4 3.0 15.0 119 119 A G H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.905 110.6 50.2 -65.0 -39.4 33.4 5.9 13.3 120 120 A K H X S+ 0 0 9 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.918 112.1 46.1 -61.8 -44.1 35.4 3.2 11.4 121 121 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.896 110.4 53.7 -67.0 -40.4 32.2 1.5 10.3 122 122 A L H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.933 111.9 46.2 -57.0 -45.1 30.7 4.9 9.3 123 123 A L H X>S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 5,-1.0 0.801 105.0 58.8 -70.0 -32.9 33.8 5.5 7.1 124 124 A M H X5S+ 0 0 0 -4,-2.0 6,-2.8 3,-0.2 4,-0.6 0.892 112.6 41.6 -63.9 -35.0 33.8 2.0 5.6 125 125 A K H X5S+ 0 0 9 -4,-1.5 4,-1.7 4,-0.2 -2,-0.2 0.976 120.5 39.4 -74.0 -51.0 30.4 2.7 4.2 126 126 A Y H <5S+ 0 0 17 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.729 131.1 25.0 -77.2 -26.3 30.8 6.3 3.2 127 127 A L H <5S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.2 -1,-0.2 0.741 134.8 29.7-103.0 -36.5 34.4 6.1 1.7 128 128 A G H < - 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0 0 125 -2,-0.5 4,-1.1 1,-0.1 3,-0.4 -0.672 7.8-134.9-100.0 141.0 -3.9 -35.9 10.5 798 311 B A H > S+ 0 0 29 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.810 105.9 61.4 -57.1 -36.6 -7.4 -34.8 9.2 799 312 B E H > S+ 0 0 103 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 98.8 57.1 -55.1 -46.5 -9.1 -37.5 11.3 800 313 B W H 4 S+ 0 0 38 -3,-0.4 3,-0.3 1,-0.2 4,-0.3 0.907 110.6 42.6 -49.9 -50.1 -7.7 -35.7 14.5 801 314 B I H >< S+ 0 0 1 -4,-1.1 3,-1.2 1,-0.2 -1,-0.2 0.838 108.0 59.5 -69.6 -36.1 -9.4 -32.5 13.6 802 315 B K H 3< S+ 0 0 154 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.817 104.7 51.7 -61.2 -33.3 -12.6 -34.2 12.5 803 316 B S T 3< S+ 0 0 25 -4,-1.7 -22,-2.9 -3,-0.3 -1,-0.3 0.480 88.4 108.2 -84.9 -5.0 -13.0 -35.6 16.0 804 317 B M S < S- 0 0 16 -3,-1.2 -21,-0.2 -24,-0.3 -24,-0.1 -0.165 70.9-102.8 -70.3 166.3 -12.5 -32.2 17.8 805 318 B G - 0 0 27 -23,-2.8 -1,-0.1 -26,-0.2 -23,-0.1 0.290 67.2 -29.5 -70.3-158.1 -15.4 -30.3 19.6 806 319 B E S S- 0 0 118 1,-0.2 -1,-0.2 -25,-0.1 25,-0.1 -0.306 124.5 -8.9 -59.5 134.8 -17.4 -27.3 18.5 807 320 B K S S- 0 0 72 -3,-0.1 -1,-0.2 1,-0.1 23,-0.1 0.859 87.9-140.3 41.8 66.3 -15.5 -24.8 16.1 808 321 B P - 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