==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 12-NOV-02 1N75 . COMPND 2 MOLECULE: GLUTAMYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.SEKINE,O.NUREKI,D.Y.DUBOIS,S.BERNIER,R.CHENEVERT, . 468 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.1 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 . 5 1.1 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 . 23 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 1 2 0 2 0 5 1 1 3 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 PARALLEL BRIDGES PER LADDER . 4 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 165 0, 0.0 2,-0.3 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 140.8 64.8 19.2 44.5 2 2 A V - 0 0 15 30,-0.4 33,-2.6 27,-0.2 2,-0.4 -0.569 360.0-177.9 -76.5 131.4 61.1 18.3 44.8 3 3 A V E +a 35 0A 16 -2,-0.3 198,-1.9 31,-0.2 199,-1.8 -0.981 5.7 174.8-132.5 118.5 60.3 14.7 43.9 4 4 A T E -a 36 0A 0 31,-2.8 33,-2.6 -2,-0.4 2,-0.3 -0.716 4.6-173.0-116.8 170.6 56.7 13.6 44.0 5 5 A R E -a 37 0A 8 197,-0.4 199,-0.4 -2,-0.2 2,-0.4 -0.957 21.1-141.8-155.3 170.6 55.0 10.3 43.1 6 6 A I E -a 38 0A 5 31,-1.5 33,-2.2 -2,-0.3 199,-0.1 -0.969 10.9-162.0-134.7 142.8 51.7 8.5 42.6 7 7 A A - 0 0 23 -2,-0.4 33,-0.2 31,-0.2 2,-0.1 -0.645 17.4-176.9-129.3 72.9 51.4 4.8 43.7 8 8 A P - 0 0 7 0, 0.0 33,-2.4 0, 0.0 -2,-0.1 -0.435 21.2-134.8 -75.2 145.0 48.3 3.4 41.9 9 9 A S - 0 0 39 31,-0.2 2,-1.9 -2,-0.1 3,-0.3 -0.864 11.4-138.1 -98.5 128.1 47.1 -0.1 42.4 10 10 A P + 0 0 1 0, 0.0 39,-1.9 0, 0.0 42,-0.2 -0.485 62.3 126.0 -84.7 69.0 46.2 -2.0 39.2 11 11 A T S S- 0 0 47 -2,-1.9 2,-0.3 37,-0.2 31,-0.0 0.343 78.5 -41.9-108.9 6.0 43.1 -3.6 40.7 12 12 A G S S+ 0 0 21 -3,-0.3 37,-0.1 37,-0.2 3,-0.0 -0.851 102.1 5.1 171.9-134.7 40.5 -2.5 38.1 13 13 A D S S- 0 0 93 -2,-0.3 2,-0.4 1,-0.1 -2,-0.2 -0.434 82.0 -91.2 -79.0 154.5 39.6 0.6 36.1 14 14 A P - 0 0 1 0, 0.0 239,-3.1 0, 0.0 240,-0.4 -0.539 52.4-133.9 -66.3 120.7 41.8 3.7 36.1 15 15 A H B >> -C 252 0B 49 -2,-0.4 4,-1.4 237,-0.2 3,-0.8 -0.552 9.4-137.7 -84.1 140.9 40.2 5.7 39.0 16 16 A V H 3> S+ 0 0 1 235,-2.0 4,-2.4 1,-0.3 5,-0.1 0.813 106.8 62.6 -63.5 -28.3 39.4 9.4 38.7 17 17 A G H 3> S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.844 100.7 52.7 -65.4 -30.9 40.7 9.8 42.2 18 18 A T H <> S+ 0 0 33 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.879 108.7 48.5 -70.6 -38.6 44.1 8.6 40.9 19 19 A A H X S+ 0 0 1 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.917 111.2 51.9 -66.4 -41.3 44.0 11.3 38.2 20 20 A Y H X S+ 0 0 5 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.944 114.3 41.1 -59.4 -51.4 43.1 13.9 40.8 21 21 A I H X S+ 0 0 24 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.895 114.9 52.3 -66.2 -39.2 46.0 12.9 43.1 22 22 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.898 104.3 57.6 -63.0 -41.5 48.4 12.6 40.1 23 23 A L H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.919 109.3 43.3 -56.8 -47.4 47.5 16.0 38.8 24 24 A F H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.832 113.8 50.8 -71.5 -29.3 48.5 17.7 42.1 25 25 A N H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.908 112.4 47.6 -71.1 -41.7 51.7 15.7 42.4 26 26 A Y H X S+ 0 0 26 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.928 113.6 47.2 -63.8 -46.4 52.6 16.5 38.8 27 27 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.900 110.1 51.1 -65.0 -43.0 51.9 20.3 39.3 28 28 A W H X S+ 0 0 38 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.901 114.2 45.9 -62.7 -39.4 53.8 20.5 42.6 29 29 A A H ><>S+ 0 0 0 -4,-1.8 5,-3.1 2,-0.2 3,-0.6 0.957 115.0 44.8 -67.9 -50.5 56.8 18.9 41.0 30 30 A R H ><5S+ 0 0 70 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.862 108.8 56.6 -63.8 -36.1 56.7 21.0 37.8 31 31 A R H 3<5S+ 0 0 124 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.801 113.3 42.2 -64.8 -28.1 56.2 24.2 39.6 32 32 A N T <<5S- 0 0 68 -4,-0.9 -30,-0.4 -3,-0.6 -1,-0.3 0.278 114.7-113.9-101.4 10.0 59.4 23.5 41.6 33 33 A G T < 5S+ 0 0 58 -3,-1.2 -3,-0.2 -4,-0.2 -4,-0.1 0.751 77.9 123.5 64.0 24.9 61.4 22.3 38.6 34 34 A G < - 0 0 8 -5,-3.1 2,-0.3 -6,-0.2 -31,-0.2 0.065 60.2 -80.1 -98.7-152.2 61.5 18.8 40.2 35 35 A R E -a 3 0A 92 -33,-2.6 -31,-2.8 -3,-0.1 2,-0.5 -0.905 20.7-159.2-123.2 148.1 60.5 15.2 39.3 36 36 A F E -a 4 0A 1 -2,-0.3 32,-3.1 -33,-0.2 33,-0.7 -0.989 20.0-171.5-124.0 121.0 57.2 13.2 39.3 37 37 A I E -ab 5 69A 0 -33,-2.6 -31,-1.5 -2,-0.5 2,-0.5 -0.854 17.3-141.2-120.7 153.6 57.5 9.4 39.4 38 38 A V E +a 6 0A 0 31,-2.9 2,-0.4 -2,-0.3 -31,-0.2 -0.938 17.5 179.4-112.9 128.3 55.1 6.5 39.0 39 39 A R - 0 0 0 -33,-2.2 2,-0.5 -2,-0.5 42,-0.2 -0.992 24.0-134.2-128.7 121.4 55.4 3.4 41.2 40 40 A I B -d 81 0C 0 40,-2.8 42,-2.8 -2,-0.4 2,-1.3 -0.639 5.7-152.6 -81.3 123.9 52.9 0.6 40.7 41 41 A E + 0 0 44 -33,-2.4 3,-0.3 -2,-0.5 -1,-0.1 -0.712 38.4 148.2 -93.7 83.5 51.5 -0.9 44.0 42 42 A D + 0 0 17 -2,-1.3 -1,-0.1 -33,-0.2 6,-0.1 -0.169 25.7 112.8-113.2 41.4 50.8 -4.4 42.7 43 43 A T + 0 0 12 1,-0.1 2,-1.7 2,-0.1 -1,-0.2 0.786 51.1 92.7 -80.3 -29.1 51.4 -6.5 45.8 44 44 A D > + 0 0 38 -3,-0.3 4,-0.9 1,-0.2 3,-0.5 -0.485 51.9 179.1 -69.2 88.5 47.7 -7.5 46.1 45 45 A R T 4 S+ 0 0 151 -2,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.414 76.7 59.6 -72.5 3.7 47.9 -10.7 44.1 46 46 A A T 4 S+ 0 0 85 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.785 111.4 33.4 -99.5 -37.2 44.2 -11.2 44.8 47 47 A R T 4 S+ 0 0 159 -3,-0.5 -2,-0.2 2,-0.1 -3,-0.1 0.411 85.7 132.8-100.2 2.0 42.8 -8.1 43.2 48 48 A Y < - 0 0 104 -4,-0.9 -37,-0.2 -6,-0.1 -6,-0.0 -0.255 38.9-161.1 -57.3 135.8 45.4 -7.8 40.4 49 49 A V > - 0 0 47 -39,-1.9 3,-2.2 -37,-0.1 4,-0.5 -0.973 19.7-122.6-125.3 118.2 43.9 -7.2 37.0 50 50 A P T 3 S+ 0 0 108 0, 0.0 -39,-0.0 0, 0.0 -2,-0.0 -0.385 100.1 15.2 -60.1 121.5 45.8 -7.9 33.7 51 51 A G T 3> S+ 0 0 26 -2,-0.2 4,-2.2 -41,-0.0 5,-0.1 0.272 94.6 108.9 97.8 -10.9 46.1 -4.8 31.7 52 52 A A H <> S+ 0 0 0 -3,-2.2 4,-2.0 -42,-0.2 5,-0.2 0.886 77.3 51.5 -65.7 -40.1 45.0 -2.6 34.6 53 53 A E H > S+ 0 0 6 -4,-0.5 4,-2.4 -43,-0.2 5,-0.2 0.963 111.3 46.6 -61.0 -52.4 48.6 -1.1 34.9 54 54 A E H > S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.883 111.3 52.8 -57.1 -40.8 48.7 -0.3 31.2 55 55 A R H X S+ 0 0 79 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.866 109.7 47.4 -65.1 -38.1 45.3 1.3 31.3 56 56 A I H X S+ 0 0 6 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.916 113.1 48.3 -69.9 -42.3 46.2 3.6 34.3 57 57 A L H X S+ 0 0 7 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.934 112.8 48.8 -63.0 -43.4 49.4 4.6 32.6 58 58 A A H X S+ 0 0 53 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.895 108.8 53.8 -62.5 -40.9 47.5 5.3 29.4 59 59 A A H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.873 105.7 52.2 -63.6 -38.9 44.9 7.3 31.2 60 60 A L H <>S+ 0 0 2 -4,-1.9 5,-2.0 1,-0.2 4,-0.4 0.919 113.4 44.4 -63.8 -41.4 47.4 9.6 32.8 61 61 A K H ><5S+ 0 0 102 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.856 108.5 57.2 -70.6 -35.6 49.0 10.4 29.4 62 62 A W H 3<5S+ 0 0 51 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.900 103.4 55.0 -61.0 -40.0 45.5 10.8 27.9 63 63 A L T 3<5S- 0 0 9 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.641 124.2-105.0 -69.4 -14.1 44.9 13.5 30.4 64 64 A G T < 5S+ 0 0 41 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.485 78.2 129.9 103.2 3.8 48.0 15.4 29.4 65 65 A L < - 0 0 9 -5,-2.0 -1,-0.3 -6,-0.2 2,-0.3 -0.432 35.7-167.0 -85.6 164.8 50.2 14.5 32.3 66 66 A S - 0 0 63 -2,-0.1 2,-0.3 -3,-0.1 -5,-0.0 -0.952 4.0-153.3-145.8 157.7 53.7 13.0 32.0 67 67 A Y - 0 0 19 -2,-0.3 -30,-0.2 1,-0.1 3,-0.1 -0.930 13.1-145.0-134.5 162.5 56.1 11.4 34.4 68 68 A D S S+ 0 0 38 -32,-3.1 2,-0.3 -2,-0.3 -31,-0.2 0.668 83.0 26.0-102.6 -21.7 59.8 11.0 34.6 69 69 A E B S+b 37 0A 4 -33,-0.7 -31,-2.9 6,-0.1 -1,-0.2 -0.992 75.8 117.9-142.1 142.9 60.3 7.6 36.1 70 70 A G B > -E 74 0D 0 4,-2.1 4,-2.0 -2,-0.3 10,-0.1 -0.983 69.6 -66.2 177.5-178.2 58.1 4.6 36.0 71 71 A P T 4 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.883 127.1 30.5 -58.3 -46.8 57.5 0.9 34.8 72 72 A D T 4 S+ 0 0 81 1,-0.1 -2,-0.0 2,-0.1 0, 0.0 0.901 126.2 40.3 -84.6 -42.3 57.5 1.6 31.1 73 73 A V T 4 S- 0 0 88 1,-0.2 2,-0.2 0, 0.0 -1,-0.1 0.775 98.7-150.0 -77.7 -25.5 59.9 4.6 30.9 74 74 A G B < -E 70 0D 26 -4,-2.0 -4,-2.1 3,-0.0 -1,-0.2 -0.512 13.4-157.1 88.7-160.5 62.3 3.2 33.5 75 75 A G > - 0 0 43 -6,-0.2 3,-0.7 -2,-0.2 -6,-0.1 -0.861 32.7 -88.3 159.2 167.2 64.5 5.3 35.8 76 76 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.634 117.8 44.5 -77.1 -14.6 67.6 5.3 38.0 77 77 A H T 3 S+ 0 0 91 121,-0.1 -8,-0.0 -3,-0.1 -3,-0.0 -0.116 99.2 152.7-123.6 38.1 65.9 4.0 41.2 78 78 A G < + 0 0 35 -3,-0.7 2,-0.2 2,-0.1 -39,-0.0 -0.060 47.9 110.5 -82.1-172.3 63.8 1.1 40.0 79 79 A P - 0 0 55 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.533 51.4-163.4 -60.0 157.3 62.2 -1.4 39.8 80 80 A Y + 0 0 7 -2,-0.2 -40,-2.8 -10,-0.1 2,-0.4 0.126 66.3 76.7-105.9 20.2 59.1 0.7 39.6 81 81 A R B > S-d 40 0C 60 -42,-0.2 3,-1.8 -11,-0.1 -40,-0.2 -0.999 73.6-143.5-125.9 127.4 56.6 -2.1 40.4 82 82 A Q G > S+ 0 0 2 -42,-2.8 3,-1.7 -2,-0.4 -41,-0.1 0.805 100.6 66.1 -63.0 -25.6 56.5 -3.2 44.1 83 83 A S G 3 S+ 0 0 46 -43,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.674 98.1 55.4 -68.3 -15.6 56.0 -6.8 43.0 84 84 A E G < S+ 0 0 91 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.324 106.8 49.1 -98.0 5.5 59.6 -6.6 41.6 85 85 A R X> + 0 0 9 -3,-1.7 3,-1.3 -4,-0.1 4,-1.2 0.129 64.5 126.1-130.6 23.0 61.1 -5.5 44.9 86 86 A L H 3> S+ 0 0 33 -3,-0.4 4,-1.5 1,-0.3 5,-0.2 0.833 73.1 58.3 -50.5 -38.7 59.7 -8.1 47.3 87 87 A P H 3> S+ 0 0 67 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.852 100.6 57.9 -63.3 -32.5 63.2 -9.0 48.6 88 88 A L H <> S+ 0 0 50 -3,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.918 104.8 48.5 -63.1 -45.4 63.8 -5.4 49.6 89 89 A Y H X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.876 110.3 52.0 -64.0 -37.4 60.8 -5.2 52.0 90 90 A Q H X S+ 0 0 73 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.923 110.6 48.0 -65.5 -42.7 61.8 -8.5 53.6 91 91 A K H X S+ 0 0 134 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.863 112.7 48.0 -66.8 -36.7 65.3 -7.2 54.2 92 92 A Y H X S+ 0 0 56 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.862 109.5 52.8 -73.3 -32.0 64.1 -4.0 55.7 93 93 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.909 108.4 51.2 -66.6 -39.6 61.6 -5.8 57.9 94 94 A E H X S+ 0 0 90 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.862 105.9 55.6 -64.3 -35.1 64.5 -7.9 59.2 95 95 A E H X S+ 0 0 82 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.882 106.7 49.8 -64.6 -38.9 66.5 -4.7 59.9 96 96 A L H X>S+ 0 0 0 -4,-1.7 5,-2.4 2,-0.2 6,-0.9 0.894 109.0 52.0 -66.7 -39.6 63.6 -3.5 62.1 97 97 A L H ><5S+ 0 0 24 -4,-2.0 3,-1.3 4,-0.2 -2,-0.2 0.950 109.2 50.9 -59.6 -47.6 63.6 -6.8 63.9 98 98 A K H 3<5S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.822 111.6 47.5 -59.4 -31.6 67.3 -6.3 64.5 99 99 A R H 3<5S- 0 0 121 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.500 114.9-113.7 -89.5 -4.6 66.8 -2.8 65.8 100 100 A G T <<5S+ 0 0 39 -3,-1.3 -3,-0.2 -4,-0.7 -2,-0.1 0.627 88.3 114.1 82.0 13.0 63.9 -3.9 68.1 101 101 A W S - 0 0 60 1,-0.1 4,-2.6 36,-0.0 5,-0.2 -0.380 30.4-101.0 -83.8 167.2 46.2 -17.8 64.0 109 109 A P H > S+ 0 0 101 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.887 125.2 51.2 -57.8 -38.2 43.2 -16.0 62.5 110 110 A E H > S+ 0 0 139 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.881 110.3 49.2 -66.4 -38.5 41.0 -17.6 65.2 111 111 A E H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.921 109.9 50.7 -66.4 -44.2 43.4 -16.4 67.9 112 112 A L H X S+ 0 0 37 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.865 108.6 52.8 -62.4 -35.4 43.4 -12.9 66.6 113 113 A E H X S+ 0 0 86 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.918 110.8 46.7 -66.0 -42.1 39.6 -12.8 66.5 114 114 A Q H X S+ 0 0 98 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.920 114.8 46.1 -65.4 -44.2 39.5 -13.9 70.2 115 115 A I H X>S+ 0 0 3 -4,-2.6 4,-3.8 1,-0.2 5,-0.6 0.918 109.9 55.0 -65.2 -43.2 42.1 -11.3 71.2 116 116 A R H X5S+ 0 0 101 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.905 111.7 43.0 -55.7 -46.8 40.3 -8.6 69.1 117 117 A K H <5S+ 0 0 153 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.774 119.2 45.4 -72.7 -26.6 37.0 -9.2 71.0 118 118 A E H <5S+ 0 0 103 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.923 131.0 17.4 -81.5 -47.8 38.8 -9.4 74.3 119 119 A K H <5S- 0 0 102 -4,-3.8 -3,-0.2 2,-0.2 -2,-0.2 0.648 102.9-110.6-100.2 -20.8 41.1 -6.4 74.1 120 120 A G S < + 0 0 5 51,-0.1 3,-2.4 1,-0.1 4,-0.3 0.654 62.9 149.7 69.6 18.4 51.1 -6.9 71.3 125 125 A R G > + 0 0 89 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.771 61.8 69.8 -55.2 -27.4 51.4 -10.0 73.4 126 126 A A G > S+ 0 0 5 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.626 79.8 77.2 -67.3 -12.9 54.0 -11.5 71.0 127 127 A R G < S+ 0 0 65 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.737 87.9 60.6 -66.8 -20.9 56.4 -8.9 72.1 128 128 A N G < S+ 0 0 142 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.335 77.7 105.0 -89.8 7.5 56.9 -11.0 75.3 129 129 A I S < S- 0 0 33 -3,-1.5 5,-0.1 -25,-0.1 -25,-0.1 -0.743 89.6-102.3 -84.2 132.9 58.2 -14.0 73.3 130 130 A P >> - 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0 0 0 -3,-0.6 -1,-0.1 -4,-0.6 3,-0.1 -0.984 41.5-174.5-133.6 142.4 25.9 18.4 22.3 360 360 A D S S+ 0 0 36 -2,-0.4 2,-0.3 1,-0.1 -42,-0.2 0.601 77.8 43.3-103.2 -16.4 28.1 18.4 25.4 361 361 A T S >> S- 0 0 7 -100,-0.1 3,-0.9 1,-0.1 4,-0.7 -0.942 79.6-122.9-129.4 152.8 30.0 15.1 24.8 362 362 A L T >4 S+ 0 0 13 -102,-2.2 3,-0.6 -2,-0.3 -102,-0.2 0.819 111.2 59.1 -62.1 -32.2 31.6 13.7 21.6 363 363 A K T 3> S+ 0 0 58 -104,-0.8 4,-1.0 1,-0.2 -1,-0.2 0.769 97.1 61.2 -69.4 -25.1 29.5 10.6 21.9 364 364 A E H <> S+ 0 0 28 -3,-0.9 4,-3.0 -105,-0.3 5,-0.3 0.768 91.2 69.9 -73.1 -25.0 26.3 12.6 21.7 365 365 A F H < S+ 0 0 0 -4,-2.1 3,-2.2 -5,-0.3 4,-0.4 0.076 72.4 123.7-121.6 24.8 22.9 13.7 14.3 370 370 A R G >> + 0 0 67 -4,-0.4 3,-2.3 -3,-0.4 4,-1.1 0.880 69.0 64.2 -52.0 -42.7 22.8 10.1 12.9 371 371 A Y G 34 S+ 0 0 10 1,-0.3 -1,-0.3 68,-0.2 6,-0.1 0.597 93.4 64.1 -60.4 -10.8 20.3 11.1 10.2 372 372 A L G <4 S+ 0 0 8 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.642 110.6 34.4 -87.0 -14.9 22.9 13.4 8.7 373 373 A F T <4 S+ 0 0 29 -3,-2.3 -32,-0.4 -4,-0.4 2,-0.3 0.498 124.4 15.9-116.9 -8.1 25.3 10.5 7.8 374 374 A T < - 0 0 39 -4,-1.1 -1,-0.2 -34,-0.1 3,-0.1 -0.983 56.9-128.4-158.9 167.1 22.9 7.7 6.9 375 375 A E S S+ 0 0 97 -2,-0.3 2,-1.8 1,-0.2 -4,-0.1 0.609 94.3 84.6 -92.8 -16.4 19.4 6.7 6.0 376 376 A D + 0 0 122 -6,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 -0.490 63.3 135.9 -87.2 68.5 19.4 4.1 8.7 377 377 A Y - 0 0 34 -2,-1.8 2,-0.1 -6,-0.1 63,-0.0 -0.854 56.5-105.1-114.8 151.9 18.3 6.4 11.5 378 378 A P - 0 0 99 0, 0.0 2,-0.6 0, 0.0 -7,-0.1 -0.438 22.2-144.2 -76.3 148.5 15.7 5.8 14.2 379 379 A V - 0 0 72 -2,-0.1 62,-0.2 62,-0.0 61,-0.1 -0.956 21.1-130.6-115.3 113.7 12.3 7.5 14.1 380 380 A S > - 0 0 38 60,-2.2 4,-2.1 -2,-0.6 5,-0.1 -0.131 14.9-121.2 -60.5 158.4 11.0 8.4 17.6 381 381 A E H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.856 116.0 49.8 -67.7 -36.7 7.4 7.5 18.6 382 382 A K H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.869 110.8 48.6 -70.7 -37.7 6.7 11.1 19.1 383 383 A A H > S+ 0 0 0 57,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.870 109.5 53.1 -70.1 -37.3 8.0 12.1 15.7 384 384 A Q H X S+ 0 0 78 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.939 109.0 48.0 -63.6 -47.0 6.1 9.3 14.0 385 385 A R H X S+ 0 0 156 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.873 112.9 49.1 -61.6 -37.5 2.8 10.5 15.5 386 386 A K H X S+ 0 0 60 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.872 109.7 51.7 -69.8 -36.9 3.5 14.1 14.5 387 387 A L H X S+ 0 0 11 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.916 110.0 49.8 -64.2 -42.4 4.4 12.9 11.0 388 388 A E H >< S+ 0 0 115 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.904 108.5 52.7 -62.8 -43.5 1.1 11.1 10.8 389 389 A E H 3< S+ 0 0 146 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.864 118.6 35.4 -61.2 -39.0 -0.9 14.1 12.0 390 390 A G H >X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 3,-0.6 0.353 85.0 108.2 -99.4 7.7 0.6 16.4 9.3 391 391 A L H S+ 0 0 91 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.876 111.2 48.7 -59.4 -34.2 -2.0 15.3 4.5 393 393 A L H <> S+ 0 0 28 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.916 112.9 46.4 -70.0 -42.9 -0.2 18.7 4.7 394 394 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.894 107.6 57.7 -65.3 -39.9 3.1 17.2 3.6 395 395 A K H < S+ 0 0 139 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.922 110.4 43.1 -56.3 -45.2 1.4 15.2 0.8 396 396 A E H < S+ 0 0 73 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.2 0.809 114.3 51.8 -71.0 -30.7 0.2 18.5 -0.6 397 397 A L H >X S+ 0 0 2 -4,-1.7 4,-1.9 1,-0.2 3,-1.0 0.841 90.5 77.6 -74.5 -35.8 3.5 20.2 -0.0 398 398 A Y H 3X S+ 0 0 33 -4,-2.7 4,-2.3 1,-0.3 5,-0.2 0.860 91.4 52.3 -42.0 -50.9 5.6 17.5 -1.8 399 399 A P H 3> S+ 0 0 68 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.878 107.8 52.6 -57.5 -38.3 4.7 18.8 -5.3 400 400 A R H <4 S+ 0 0 82 -3,-1.0 -2,-0.2 -4,-0.5 -3,-0.1 0.929 110.9 46.3 -63.2 -45.8 5.8 22.3 -4.4 401 401 A L H >< S+ 0 0 1 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.866 110.6 52.9 -64.6 -37.9 9.2 21.1 -3.2 402 402 A R H 3< S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.862 113.0 44.1 -66.6 -34.7 9.6 19.0 -6.2 403 403 A A T 3< S+ 0 0 85 -4,-1.8 2,-0.7 -5,-0.2 -1,-0.3 0.329 88.7 117.5 -90.8 6.9 8.9 22.0 -8.5 404 404 A Q < + 0 0 35 -3,-1.0 3,-0.1 1,-0.2 -3,-0.1 -0.673 35.9 175.4 -81.4 113.9 11.2 24.1 -6.3 405 405 A E + 0 0 158 -2,-0.7 2,-1.1 1,-0.2 -1,-0.2 0.915 66.5 67.8 -82.2 -48.1 14.1 25.5 -8.3 406 406 A E - 0 0 102 1,-0.1 2,-1.0 5,-0.1 -1,-0.2 -0.639 65.5-176.5 -78.7 100.3 15.7 27.7 -5.7 407 407 A W + 0 0 39 -2,-1.1 2,-0.3 4,-0.1 49,-0.1 -0.676 34.5 114.9-103.3 80.3 16.9 25.3 -3.0 408 408 A T S > S- 0 0 63 -2,-1.0 4,-3.2 1,-0.1 5,-0.4 -0.924 77.4-102.0-139.3 162.5 18.3 27.5 -0.2 409 409 A E H > S+ 0 0 80 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.919 122.4 43.5 -50.4 -50.6 17.4 28.1 3.4 410 410 A A H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 115.5 47.0 -64.7 -44.1 15.8 31.4 2.5 411 411 A A H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.932 114.1 46.9 -65.0 -46.6 13.9 30.1 -0.5 412 412 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 5,-0.2 0.895 112.2 51.3 -61.5 -41.3 12.7 27.0 1.3 413 413 A E H X S+ 0 0 72 -4,-2.2 4,-2.2 -5,-0.4 -2,-0.2 0.943 110.6 48.1 -61.0 -47.9 11.6 29.2 4.2 414 414 A A H X S+ 0 0 50 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.877 109.5 54.6 -60.6 -38.1 9.7 31.5 1.9 415 415 A L H X S+ 0 0 26 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.953 111.4 42.0 -61.5 -52.8 8.1 28.5 0.2 416 416 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.826 111.7 57.3 -65.4 -31.0 6.7 27.0 3.4 417 417 A R H X S+ 0 0 127 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.971 111.0 41.8 -63.3 -51.9 5.7 30.5 4.6 418 418 A G H X S+ 0 0 40 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.896 114.0 52.9 -61.6 -40.3 3.6 31.0 1.5 419 419 A F H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.929 108.2 49.6 -61.9 -46.1 2.2 27.4 1.7 420 420 A A H X>S+ 0 0 4 -4,-2.7 5,-2.7 2,-0.2 4,-0.6 0.911 112.4 47.1 -60.1 -44.1 1.1 27.9 5.3 421 421 A A H ><5S+ 0 0 78 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.919 111.0 53.3 -62.8 -42.3 -0.7 31.1 4.5 422 422 A E H 3<5S+ 0 0 116 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.854 113.9 41.7 -60.4 -36.9 -2.2 29.4 1.5 423 423 A K H 3<5S- 0 0 85 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.441 112.2-118.4 -91.6 -0.8 -3.5 26.6 3.8 424 424 A G T <<5S+ 0 0 71 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.799 75.1 116.7 69.6 28.4 -4.6 28.9 6.6 425 425 A V < - 0 0 34 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.848 69.9 -99.0-125.1 162.5 -2.2 27.4 9.1 426 426 A K >> - 0 0 160 -2,-0.3 3,-1.6 1,-0.1 4,-0.7 -0.493 35.7-112.9 -78.7 151.3 0.8 28.6 11.0 427 427 A L H >> S+ 0 0 61 1,-0.3 4,-3.0 2,-0.2 3,-1.4 0.864 115.0 62.6 -49.3 -42.0 4.3 27.8 9.7 428 428 A G H 3> S+ 0 0 44 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.794 93.5 61.3 -56.7 -32.1 4.9 25.6 12.7 429 429 A Q H <4 S+ 0 0 95 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.771 115.3 33.9 -66.9 -26.5 2.1 23.2 11.7 430 430 A V H S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.936 113.5 51.2 -62.2 -41.4 5.8 17.2 10.3 434 434 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.864 107.0 52.8 -62.3 -37.7 8.4 18.0 7.8 435 435 A R H X S+ 0 0 37 -4,-2.0 4,-1.9 2,-0.2 6,-0.6 0.918 108.6 50.5 -64.1 -44.2 11.2 17.8 10.4 436 436 A A H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.925 110.7 49.5 -59.7 -44.7 10.0 14.4 11.5 437 437 A A H < S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.897 116.7 39.7 -62.3 -43.5 10.0 13.1 7.9 438 438 A L H < S+ 0 0 8 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.681 134.9 15.9 -82.6 -18.8 13.5 14.3 7.0 439 439 A T H < S- 0 0 2 -4,-1.9 -68,-0.2 2,-0.2 -3,-0.2 0.545 85.7-126.5-131.7 -13.6 15.2 13.5 10.3 440 440 A G S < S+ 0 0 2 -4,-2.6 -60,-2.2 -5,-0.5 2,-0.3 0.580 83.2 91.9 73.6 8.1 13.0 11.0 12.3 441 441 A S - 0 0 34 -6,-0.6 -1,-0.2 -62,-0.2 -2,-0.2 -0.940 66.8-149.8-135.2 155.9 13.3 13.5 15.2 442 442 A L S S+ 0 0 30 -2,-0.3 2,-0.5 1,-0.2 -6,-0.1 0.405 89.6 61.6-101.4 -1.0 11.4 16.5 16.6 443 443 A E + 0 0 146 -8,-0.1 -1,-0.2 -75,-0.1 0, 0.0 -0.912 67.3 117.5-132.7 106.5 14.5 18.1 17.9 444 444 A T - 0 0 10 -2,-0.5 3,-0.2 1,-0.1 -75,-0.1 -0.870 63.8 -76.1-150.9 178.2 17.3 19.1 15.5 445 445 A P S S- 0 0 10 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.106 89.8 -25.6 -74.9-176.0 19.0 22.3 14.4 446 446 A G >> - 0 0 33 -92,-0.1 4,-2.1 1,-0.1 3,-0.6 0.039 58.5-142.7 -33.5 116.4 17.3 24.8 12.0 447 447 A L H 3> S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.888 100.4 48.0 -51.7 -44.1 14.8 22.9 9.9 448 448 A F H 3> S+ 0 0 28 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.762 108.2 53.2 -72.7 -25.4 15.7 25.0 6.8 449 449 A E H <> S+ 0 0 60 -3,-0.6 4,-1.0 2,-0.2 -1,-0.2 0.860 113.2 44.7 -75.5 -35.5 19.4 24.6 7.2 450 450 A I H X S+ 0 0 12 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.871 108.7 56.2 -73.5 -39.4 19.0 20.8 7.4 451 451 A L H < S+ 0 0 3 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.723 114.3 40.0 -66.3 -22.2 16.5 20.7 4.4 452 452 A A H < S+ 0 0 26 -4,-0.7 -1,-0.2 -5,-0.1 -2,-0.2 0.638 98.2 78.2-101.2 -18.0 19.1 22.5 2.2 453 453 A L H < S+ 0 0 35 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.951 100.1 36.1 -56.3 -57.8 22.2 20.6 3.5 454 454 A L S < S- 0 0 27 -4,-0.9 4,-0.2 1,-0.1 -1,-0.2 0.910 114.8-113.6 -65.3 -44.5 21.7 17.4 1.5 455 455 A G > - 0 0 22 -4,-0.4 4,-2.7 1,-0.1 5,-0.3 -0.321 28.3 -74.8 121.8 154.0 20.3 18.9 -1.6 456 456 A K H > S+ 0 0 52 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.925 126.7 41.6 -44.5 -65.8 17.0 18.9 -3.4 457 457 A E H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.912 117.7 45.7 -52.5 -51.4 17.2 15.5 -4.9 458 458 A R H > S+ 0 0 102 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.837 116.3 48.0 -64.2 -30.8 18.6 13.8 -1.8 459 459 A A H X S+ 0 0 3 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.928 111.3 48.4 -74.1 -46.9 16.1 15.6 0.3 460 460 A L H X S+ 0 0 2 -4,-3.4 4,-2.7 -5,-0.3 5,-0.2 0.907 107.9 56.9 -59.5 -43.3 13.1 14.7 -1.9 461 461 A R H X S+ 0 0 91 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.940 109.6 43.6 -53.2 -52.7 14.2 11.0 -2.0 462 462 A R H X S+ 0 0 7 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.821 112.9 53.8 -64.2 -31.6 14.1 10.8 1.8 463 463 A L H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.901 104.7 52.5 -70.6 -42.0 10.8 12.6 1.9 464 464 A E H X S+ 0 0 62 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.891 106.9 55.0 -59.7 -39.0 9.1 10.3 -0.6 465 465 A R H < S+ 0 0 138 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.894 109.7 46.0 -60.4 -42.3 10.2 7.4 1.6 466 466 A A H < S+ 0 0 25 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.814 114.9 47.0 -71.4 -31.6 8.5 9.1 4.6 467 467 A L H < 0 0 38 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.688 360.0 360.0 -83.1 -20.6 5.4 9.7 2.5 468 468 A A < 0 0 134 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.1 0.961 360.0 360.0 -69.1 360.0 5.3 6.2 1.1