==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-MAY-07 2V0G . COMPND 2 MOLECULE: AMINOACYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR F.ROCK,W.MAO,A.YAREMCHUK,M.TUKALO,T.CREPIN,H.ZHOU,Y.ZHANG, . 1754 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 81960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1132 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 6 0.3 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 . 110 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 210 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 487 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 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 10 6 2 6 3 4 3 3 0 2 4 4 2 1 1 3 1 2 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 8 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 0 0 PARALLEL BRIDGES PER LADDER . 17 11 7 7 1 2 3 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 . 6 15 7 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 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 0 144 0, 0.0 696,-0.1 0, 0.0 692,-0.0 0.000 360.0 360.0 360.0 129.9 -39.9 40.3 -92.9 2 2 A E - 0 0 106 694,-0.1 2,-0.3 1,-0.1 694,-0.1 -0.019 360.0-126.5 -69.0 179.7 -40.9 36.8 -93.8 3 3 A K - 0 0 164 693,-0.0 2,-0.5 689,-0.0 -1,-0.1 -0.826 27.8 -83.5-131.2 165.0 -41.3 33.9 -91.4 4 4 A Y - 0 0 8 -2,-0.3 685,-0.1 1,-0.0 684,-0.0 -0.607 42.3-173.8 -73.1 119.0 -40.1 30.4 -90.8 5 5 A N >> - 0 0 82 -2,-0.5 4,-1.2 1,-0.2 3,-0.6 -0.908 10.9-172.1-119.4 100.1 -42.1 27.9 -92.9 6 6 A P H >> S+ 0 0 5 0, 0.0 4,-2.1 0, 0.0 3,-1.9 0.971 86.3 54.2 -50.4 -58.1 -41.3 24.3 -92.2 7 7 A H H 34 S+ 0 0 113 1,-0.3 4,-0.3 648,-0.3 5,-0.2 0.710 104.2 59.2 -59.9 -21.9 -43.4 22.9 -95.1 8 8 A A H <4 S+ 0 0 57 -3,-0.6 -1,-0.3 2,-0.1 4,-0.1 0.887 124.5 12.2 -66.6 -42.6 -41.5 25.2 -97.4 9 9 A I H XX S+ 0 0 10 -3,-1.9 4,-1.7 -4,-1.2 3,-0.6 0.873 105.6 75.3-104.7 -46.6 -38.1 23.7 -96.5 10 10 A E H 3X S+ 0 0 9 -4,-2.1 4,-0.9 1,-0.3 -3,-0.1 0.717 106.4 33.7 -54.0 -35.4 -38.1 20.4 -94.6 11 11 A A H 3> S+ 0 0 37 -5,-0.3 4,-1.8 -4,-0.3 -1,-0.3 0.753 110.4 63.3 -93.6 -29.6 -39.1 18.0 -97.4 12 12 A K H <> S+ 0 0 97 -3,-0.6 4,-0.9 2,-0.2 -2,-0.2 0.970 108.5 42.1 -48.0 -58.9 -37.3 19.8 -100.2 13 13 A W H X S+ 0 0 16 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.831 106.2 61.2 -67.8 -41.3 -33.9 19.2 -98.6 14 14 A Q H X S+ 0 0 9 -4,-0.9 4,-2.1 -5,-0.3 3,-0.3 0.984 103.1 51.4 -43.6 -63.7 -34.6 15.6 -97.7 15 15 A R H X S+ 0 0 158 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.802 113.2 49.4 -43.2 -35.3 -35.1 14.8 -101.4 16 16 A F H X S+ 0 0 44 -4,-0.9 4,-3.4 -3,-0.2 -1,-0.2 0.916 104.0 53.4 -75.0 -49.0 -31.7 16.5 -101.8 17 17 A W H <>S+ 0 0 2 -4,-2.9 5,-1.4 -3,-0.3 -2,-0.2 0.851 114.1 45.6 -59.6 -35.1 -29.7 14.7 -99.1 18 18 A E H ><5S+ 0 0 105 -4,-2.1 3,-1.5 -5,-0.3 -1,-0.2 0.912 114.3 47.1 -70.5 -45.7 -30.8 11.4 -100.7 19 19 A E H 3<5S+ 0 0 150 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.964 116.7 42.8 -60.7 -53.8 -30.0 12.5 -104.2 20 20 A K T 3<5S- 0 0 100 -4,-3.4 -1,-0.3 -5,-0.1 -2,-0.2 -0.001 103.5-146.3 -80.2 29.9 -26.6 13.9 -103.2 21 21 A G T < 5 + 0 0 32 -3,-1.5 3,-0.5 1,-0.1 -3,-0.2 0.505 34.1 163.9 -0.4 82.5 -26.3 10.7 -101.1 22 22 A F S -D 647 0C 11 598,-0.2 3,-4.3 599,-0.1 4,-0.5 -0.974 49.9 -82.6-154.5 144.5 -44.4 7.6 -83.1 50 50 A M T 3> S+ 0 0 0 596,-1.4 4,-1.5 1,-0.3 597,-0.1 0.595 125.2 67.0 -13.4 -56.8 -42.0 10.0 -81.3 51 51 A G T 34 S+ 0 0 20 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.838 112.0 32.5 -36.0 -48.1 -41.7 7.4 -78.6 52 52 A H T X> S+ 0 0 79 -3,-4.3 3,-0.7 1,-0.2 4,-0.7 0.964 111.9 64.5 -71.5 -57.6 -39.9 5.3 -81.2 53 53 A L H 3> S+ 0 0 0 -4,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.531 82.2 80.6 -48.5 -13.8 -38.3 8.2 -83.0 54 54 A K H 3X S+ 0 0 2 -4,-1.5 4,-2.2 -5,-0.3 3,-0.5 0.994 98.5 37.1 -55.7 -68.1 -36.2 9.2 -80.0 55 55 A N H <> S+ 0 0 34 -3,-0.7 4,-1.2 -4,-0.4 5,-0.3 0.928 114.9 53.0 -49.6 -60.6 -33.4 6.6 -80.5 56 56 A Y H X S+ 0 0 17 -4,-0.7 4,-1.6 1,-0.2 -1,-0.3 0.866 110.1 50.6 -46.1 -41.8 -33.4 6.7 -84.3 57 57 A T H X S+ 0 0 1 -4,-1.8 4,-2.5 -3,-0.5 3,-0.4 0.965 104.8 57.5 -62.0 -53.4 -33.0 10.5 -84.1 58 58 A M H >X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.3 3,-0.9 0.914 106.8 46.4 -36.3 -81.5 -30.0 10.2 -81.7 59 59 A G H 3X S+ 0 0 0 -4,-1.2 4,-2.9 1,-0.3 -1,-0.3 0.777 112.7 53.1 -29.8 -45.3 -28.0 8.0 -84.1 60 60 A D H 3X S+ 0 0 2 -4,-1.6 4,-1.8 -3,-0.4 -1,-0.3 0.927 108.9 45.8 -67.4 -47.5 -28.8 10.5 -86.9 61 61 A V H XX S+ 0 0 0 -4,-2.5 4,-1.9 -3,-0.9 3,-0.9 0.986 116.2 48.1 -51.1 -60.8 -27.6 13.6 -85.0 62 62 A L H 3X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 3,-0.4 0.911 110.9 51.7 -38.8 -55.3 -24.5 11.7 -84.0 63 63 A A H 3X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.736 107.4 49.7 -68.7 -25.7 -24.1 10.6 -87.6 64 64 A R H S+ 0 0 19 -4,-2.1 5,-2.0 2,-0.2 4,-0.4 0.939 116.5 47.1 -55.2 -54.3 -19.2 12.5 -87.6 67 67 A R H <5S+ 0 0 62 -4,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.789 111.1 52.5 -60.4 -32.9 -19.8 13.0 -91.3 68 68 A M H <5S+ 0 0 2 -4,-1.9 736,-1.4 1,-0.2 -1,-0.3 0.822 106.8 53.9 -69.0 -31.4 -19.5 16.8 -90.7 69 69 A Q T <5S- 0 0 55 -4,-1.8 -2,-0.2 734,-0.2 -1,-0.2 0.526 122.7-109.4 -80.1 -4.9 -16.2 16.0 -89.0 70 70 A G T 5S+ 0 0 35 -3,-0.4 -3,-0.2 -4,-0.4 -4,-0.1 0.395 70.4 142.5 93.4 -4.5 -15.0 14.2 -92.1 71 71 A Y < - 0 0 74 -5,-2.0 2,-0.6 -6,-0.2 -1,-0.3 -0.312 62.4-109.9 -56.4 151.2 -15.1 10.7 -90.6 72 72 A E E -a 34 0A 44 -39,-2.2 -37,-1.9 -3,-0.1 2,-0.5 -0.818 47.1-154.1 -81.8 126.2 -16.3 8.0 -93.0 73 73 A V E -a 35 0A 1 -2,-0.6 2,-0.7 -49,-0.2 -37,-0.2 -0.912 24.7-168.2-121.9 126.5 -19.8 7.2 -91.5 74 74 A L E +a 36 0A 0 -39,-2.1 -37,-1.9 -2,-0.5 -50,-0.1 -0.925 16.9 163.7-109.5 108.2 -22.0 4.1 -91.6 75 75 A H - 0 0 1 -2,-0.7 45,-1.1 -52,-0.3 2,-0.2 -0.870 22.4-177.8-123.2 89.7 -25.5 4.8 -90.3 76 76 A P - 0 0 0 0, 0.0 -37,-0.5 0, 0.0 2,-0.3 -0.515 14.4-166.9 -96.7 160.4 -27.5 1.8 -91.5 77 77 A M + 0 0 0 43,-0.4 2,-0.2 -2,-0.2 48,-0.2 -0.997 20.6 132.9-146.1 147.1 -31.2 0.8 -91.3 78 78 A G - 0 0 0 -2,-0.3 2,-0.2 46,-0.2 48,-0.2 -0.815 40.5 -93.5-166.0-160.1 -33.2 -2.3 -91.9 79 79 A W B -e 126 0D 0 46,-2.5 48,-0.6 -2,-0.2 -36,-0.2 -0.648 8.8-134.5-132.4 174.3 -36.0 -4.4 -90.3 80 80 A D + 0 0 0 -38,-1.1 6,-0.3 -2,-0.2 46,-0.1 -0.462 41.3 155.9-131.9 63.0 -36.6 -7.4 -88.1 81 81 A A + 0 0 0 -38,-0.1 6,-0.4 4,-0.1 5,-0.2 0.736 44.2 79.5 -65.9 -31.4 -39.3 -9.1 -90.1 82 82 A F S S+ 0 0 3 418,-0.1 4,-0.3 -3,-0.1 349,-0.1 -0.285 74.8 25.4 -85.6 165.5 -39.0 -12.7 -88.9 83 83 A G S > S- 0 0 3 1,-0.2 4,-1.0 2,-0.1 3,-0.4 -0.174 104.7 -36.6 81.0-171.2 -40.1 -14.5 -85.8 84 84 A L H > S+ 0 0 2 1,-0.2 4,-3.0 3,-0.2 5,-0.4 0.864 115.7 71.5 -54.0 -52.4 -43.0 -13.8 -83.3 85 85 A P H > S+ 0 0 1 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.806 111.1 27.6 -40.7 -57.7 -43.1 -10.0 -83.2 86 86 A A H >> S+ 0 0 0 -3,-0.4 4,-2.2 -6,-0.3 3,-1.2 0.999 123.1 48.5 -66.2 -72.3 -44.5 -9.4 -86.7 87 87 A E H 3X S+ 0 0 0 -4,-1.0 4,-2.9 -6,-0.4 5,-0.4 0.851 107.7 57.3 -34.4 -61.0 -46.5 -12.7 -87.2 88 88 A N H 3X S+ 0 0 29 -4,-3.0 4,-2.5 1,-0.2 -1,-0.3 0.886 114.4 38.8 -33.4 -57.8 -48.1 -12.3 -83.7 89 89 A A H <>S+ 0 0 0 -4,-2.2 5,-3.0 1,-0.2 3,-1.2 0.926 113.4 43.0 -37.6 -62.0 -50.2 -10.0 -88.4 91 91 A L H ><5S+ 0 0 41 -4,-2.9 3,-3.0 3,-0.3 -1,-0.2 0.907 106.8 60.4 -52.6 -47.3 -52.4 -12.8 -87.0 92 92 A K H 3<5S+ 0 0 142 -4,-2.5 -1,-0.3 -5,-0.4 -2,-0.2 0.733 117.3 33.2 -59.6 -23.3 -53.9 -10.4 -84.4 93 93 A F T <<5S- 0 0 122 -4,-1.7 -1,-0.3 -3,-1.2 -2,-0.2 -0.203 115.7-118.0-117.0 37.7 -55.2 -8.4 -87.4 94 94 A G T < 5 + 0 0 49 -3,-3.0 2,-0.3 1,-0.1 -3,-0.3 0.612 66.4 143.3 34.7 28.8 -55.7 -11.6 -89.5 95 95 A V < - 0 0 46 -5,-3.0 -2,-0.2 -6,-0.2 -1,-0.1 -0.732 58.7-111.5 -95.7 140.8 -53.1 -10.4 -92.1 96 96 A H > - 0 0 15 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.536 32.9-124.0 -65.9 135.6 -50.7 -12.6 -93.9 97 97 A P H > S+ 0 0 0 0, 0.0 4,-4.1 0, 0.0 5,-0.3 0.839 105.2 52.5 -57.3 -47.0 -47.2 -11.8 -92.6 98 98 A K H > S+ 0 0 106 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.963 112.9 46.0 -53.2 -52.7 -45.4 -11.0 -95.9 99 99 A D H 4 S+ 0 0 97 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.871 119.2 41.8 -58.4 -41.6 -48.2 -8.5 -96.8 100 100 A W H >X S+ 0 0 44 -4,-2.0 4,-3.3 2,-0.2 3,-1.3 0.967 117.3 46.3 -69.2 -54.2 -48.1 -7.0 -93.3 101 101 A T H 3X S+ 0 0 0 -4,-4.1 4,-1.8 1,-0.3 -2,-0.2 0.908 112.2 47.3 -60.5 -50.3 -44.3 -6.9 -93.0 102 102 A Y H 3X S+ 0 0 109 -4,-3.0 4,-0.7 -5,-0.3 -1,-0.3 0.545 118.4 48.3 -68.5 -3.1 -43.5 -5.5 -96.4 103 103 A A H <> S+ 0 0 34 -3,-1.3 4,-1.9 -5,-0.3 -2,-0.2 0.837 106.0 49.9 -99.5 -50.3 -46.2 -2.9 -95.5 104 104 A N H X S+ 0 0 4 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.807 111.4 55.9 -58.5 -31.5 -45.2 -1.9 -91.9 105 105 A I H X S+ 0 0 9 -4,-1.8 4,-1.9 -5,-0.3 3,-0.4 0.999 101.8 52.1 -57.2 -70.9 -41.8 -1.4 -93.5 106 106 A R H X S+ 0 0 202 -4,-0.7 4,-1.8 1,-0.3 -2,-0.2 0.840 113.5 46.3 -32.9 -53.3 -42.9 1.0 -96.2 107 107 A Q H X S+ 0 0 75 -4,-1.9 4,-2.2 2,-0.2 -1,-0.3 0.926 111.2 52.3 -61.4 -47.4 -44.6 3.1 -93.5 108 108 A A H >X S+ 0 0 8 -4,-2.1 4,-2.2 -3,-0.4 3,-0.7 0.972 108.6 48.2 -52.0 -65.2 -41.5 3.0 -91.2 109 109 A K H 3X S+ 0 0 66 -4,-1.9 4,-2.9 1,-0.3 -1,-0.2 0.862 110.9 54.0 -40.2 -45.0 -39.1 4.2 -93.9 110 110 A E H 3X S+ 0 0 83 -4,-1.8 4,-2.0 -5,-0.4 -1,-0.3 0.863 110.0 45.5 -69.0 -38.0 -41.6 7.0 -94.7 111 111 A S H S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.3 4,-0.8 0.868 113.8 46.7 -40.4 -56.9 -37.9 8.0 -90.6 113 113 A R H ><5S+ 0 0 110 -4,-2.9 3,-2.0 -5,-0.2 -1,-0.3 0.929 108.1 57.3 -47.9 -53.6 -37.3 10.0 -93.9 114 114 A L H 3<5S+ 0 0 9 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.843 101.6 54.8 -51.1 -44.8 -40.0 12.6 -92.9 115 115 A M H 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -3,-0.3 546,-0.2 0.698 123.0-103.1 -61.5 -21.8 -38.3 13.4 -89.6 116 116 A G T <<5S+ 0 0 1 -3,-2.0 -3,-0.2 -4,-0.8 -2,-0.2 0.454 71.0 150.0 105.2 4.5 -35.0 14.2 -91.5 117 117 A I < - 0 0 8 -5,-1.7 2,-0.4 -6,-0.2 -1,-0.3 -0.465 28.5-159.2 -67.9 142.1 -33.3 11.0 -90.5 118 118 A L + 0 0 17 -2,-0.1 2,-0.3 -42,-0.0 -55,-0.1 -0.985 16.9 163.5-125.2 140.4 -30.8 9.6 -93.1 119 119 A Y - 0 0 6 -2,-0.4 2,-0.9 -42,-0.0 -96,-0.1 -0.825 49.4 -97.7-135.3 176.8 -29.3 6.2 -93.7 120 120 A D > - 0 0 5 -45,-1.1 3,-1.5 -2,-0.3 -43,-0.4 -0.857 39.8-176.1 -95.8 94.3 -27.5 4.3 -96.4 121 121 A W G > S+ 0 0 42 -2,-0.9 3,-1.5 1,-0.3 -1,-0.1 0.622 71.9 79.6 -76.0 -14.0 -30.5 2.6 -97.8 122 122 A D G 3 S+ 0 0 91 1,-0.2 -1,-0.3 -3,-0.1 -98,-0.0 0.410 93.7 53.6 -65.2 -0.3 -28.4 0.7 -100.2 123 123 A R G < S+ 0 0 8 -3,-1.5 -1,-0.2 -46,-0.1 -2,-0.2 0.358 76.4 147.3-113.0 4.1 -27.7 -1.5 -97.2 124 124 A E < - 0 0 59 -3,-1.5 2,-0.4 -46,-0.1 -46,-0.2 -0.043 29.1-163.1 -46.5 139.8 -31.4 -2.2 -96.3 125 125 A V - 0 0 7 -48,-0.2 -46,-2.5 7,-0.0 2,-0.8 -0.979 14.5-168.0-136.6 112.5 -31.8 -5.7 -94.7 126 126 A T B > -e 79 0D 4 -2,-0.4 3,-3.2 1,-0.2 6,-0.3 -0.805 10.9-159.8-107.3 95.2 -35.1 -7.5 -94.5 127 127 A T T 3 S+ 0 0 0 -2,-0.8 6,-0.9 -48,-0.6 -1,-0.2 0.787 86.3 62.5 -47.3 -37.9 -34.3 -10.4 -92.1 128 128 A C T 3 S+ 0 0 7 4,-0.1 -1,-0.3 -3,-0.1 303,-0.1 0.717 83.7 102.4 -64.5 -21.3 -37.4 -12.4 -93.3 129 129 A E S <> S- 0 0 51 -3,-3.2 4,-1.7 1,-0.1 3,-0.3 -0.125 76.5-132.4 -57.2 151.1 -36.0 -12.6 -96.9 130 130 A P H > S+ 0 0 43 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.919 106.0 71.3 -67.3 -40.6 -34.4 -15.8 -98.1 131 131 A E H 4 S+ 0 0 136 2,-0.2 4,-0.1 1,-0.1 -4,-0.1 0.795 114.7 24.4 -36.5 -41.5 -31.5 -13.5 -99.4 132 132 A Y H >4 S+ 0 0 8 -6,-0.3 3,-3.5 -3,-0.3 4,-0.4 0.906 114.6 56.6 -92.4 -73.0 -30.7 -13.1 -95.7 133 133 A Y H 3X S+ 0 0 12 -4,-1.7 4,-0.8 -6,-0.9 5,-0.2 0.603 88.1 82.3 -47.8 -13.9 -31.9 -16.1 -93.6 134 134 A R H >X S+ 0 0 57 -4,-1.9 4,-1.9 -5,-0.2 3,-0.5 0.915 97.8 42.6 -50.3 -40.7 -29.9 -18.3 -95.9 135 135 A W H <> S+ 0 0 5 -3,-3.5 4,-3.8 2,-0.3 5,-0.3 0.931 98.5 68.0 -76.9 -48.4 -27.0 -17.3 -93.7 136 136 A N H 3> S+ 0 0 0 -4,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.706 112.5 39.1 -35.8 -25.4 -28.9 -17.6 -90.4 137 137 A Q H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.3 3,-1.3 0.998 111.1 49.8 -65.7 -63.1 -24.5 -25.5 -89.7 142 142 A K H 3< S+ 0 0 67 -4,-2.1 4,-0.5 1,-0.3 -2,-0.2 0.777 114.1 50.4 -43.2 -31.0 -21.1 -24.0 -88.9 143 143 A M H 3<>S+ 0 0 0 -4,-2.5 5,-2.0 -5,-0.2 6,-0.9 0.840 108.9 49.9 -74.6 -38.9 -22.5 -24.1 -85.4 144 144 A W H 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129.4 -5.4 73.3-114.8 -14.7 45.6 -77.3 717 717 A K H 3> S+ 0 0 88 -2,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.786 133.6 57.4 -91.5 -32.3 -17.9 43.7 -78.0 718 718 A D H <> S+ 0 0 21 -3,-1.1 4,-1.3 1,-0.2 -2,-0.2 0.788 109.6 50.6 -60.7 -28.1 -16.7 42.1 -81.2 719 719 A R H > S+ 0 0 117 -4,-0.4 4,-1.0 2,-0.2 -2,-0.2 0.840 110.9 46.6 -77.4 -37.3 -14.0 40.8 -78.9 720 720 A E H >X S+ 0 0 149 -4,-0.9 4,-2.6 2,-0.2 3,-0.8 0.983 112.2 48.2 -67.5 -59.0 -16.5 39.5 -76.3 721 721 A L H 3X S+ 0 0 10 -4,-2.5 4,-3.0 1,-0.3 5,-0.2 0.924 108.7 53.3 -49.4 -58.5 -18.8 37.8 -78.8 722 722 A Y H 3X S+ 0 0 30 -4,-1.3 4,-1.6 1,-0.2 -1,-0.3 0.806 111.1 48.5 -49.7 -35.6 -16.0 36.0 -80.6 723 723 A G H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 3,-0.7 0.981 110.6 44.0 -46.5 -66.1 -18.9 31.8 -79.7 726 726 A H H 3X S+ 0 0 1 -4,-1.6 4,-1.9 1,-0.3 -1,-0.2 0.762 111.5 53.4 -60.4 -29.0 -15.7 29.7 -79.3 727 727 A E H 3X S+ 0 0 91 -4,-2.2 4,-1.4 2,-0.2 -1,-0.3 0.915 112.0 48.1 -64.3 -43.0 -16.6 29.0 -75.7 728 728 A T H XX S+ 0 0 6 -4,-2.8 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740 A R >< + 0 0 109 -5,-2.6 4,-2.1 1,-0.1 3,-0.2 -0.461 11.5 153.9-117.6 57.2 -25.3 15.0 -74.0 741 741 A F H > + 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.761 62.1 63.9 -68.1 -29.8 -27.6 16.5 -76.6 742 742 A N H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.984 116.2 29.4 -46.9 -62.2 -30.1 18.1 -74.1 743 743 A T H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.695 112.0 68.1 -78.7 -27.2 -27.5 20.4 -72.6 744 744 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 -9,-0.2 -1,-0.2 0.941 108.1 38.1 -52.3 -50.8 -25.6 20.5 -75.9 745 745 A I H >X S+ 0 0 1 -4,-2.1 3,-2.5 -3,-0.3 4,-1.7 0.966 108.5 60.4 -72.4 -51.9 -28.6 22.4 -77.4 746 746 A A H >X S+ 0 0 36 -4,-2.2 4,-2.2 1,-0.3 3,-1.1 0.911 104.7 52.8 -35.7 -52.8 -29.3 24.5 -74.3 747 747 A A H 3X S+ 0 0 12 -4,-2.5 4,-0.9 1,-0.3 -1,-0.3 0.763 105.6 53.8 -59.0 -28.5 -25.8 25.8 -74.9 748 748 A L H X S+ 0 0 85 -4,-3.2 4,-2.3 1,-0.2 3,-1.7 0.977 112.9 48.6 -46.3 -60.6 -29.8 34.8 -76.7 754 754 A A H 3X S+ 0 0 28 -4,-2.2 4,-1.4 1,-0.3 -2,-0.2 0.752 107.1 56.8 -54.0 -31.1 -26.3 36.4 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